<|"8" -> <|{202.0329, 0.33260712, "Meta"} -> {{263741, 276622, 337241}, 
     {"", ""}}, {174.0375, 0.33451426, "Meta"} -> {{78435, 88529, 121073}, 
     {"", ""}}, {142.012, 0.3335833, "Meta"} -> {{318908, 371272, 297537}, 
     {"", ""}}, {100.0009, 0.33358333, "Meta"} -> {{42319, 35074, 34575}, 
     {"", ""}}, {81.9906, 0.33332258, "Meta"} -> {{36822, 30341, 30344}, 
     {"", ""}}, {942.9842, 0.34920588, "Meta"} -> {{160507, 132428, 132212}, 
     {"", ""}}, {146.1052, 0.34577778, "Meta"} -> {{149631, 149994, 119503}, 
     {"Lysine [ C6 H14 N2 O2, db=85.61, overall=42.81, KEGG ID=C00047, CAS \
ID=56-87-1 ]", "56-87-1"}}, {261.9746, 0.34792307, "Meta"} -> 
    {{39628, 29714, 1}, {"", ""}}, {327.9996, 0.35123524, "Meta"} -> 
    {{30397, 22196, 24002}, {"", ""}}, {410.0024, 0.35388887, "Meta"} -> 
    {{22597, 21242, 16361}, {"", ""}}, {492.0044, 0.3583055, "Meta"} -> 
    {{39074, 37992, 41161}, {"", ""}}, {671.9891, 0.3621072, "Meta"} -> 
    {{11437, 10020, 10536}, {"", ""}}, {574.0073, 0.3586285, "Meta"} -> 
    {{29162, 27035, 27912}, {"", ""}}, {589.9859, 0.36100003, "Meta"} -> 
    {{15483, 15374, 15830}, {"", ""}}, {507.9825, 0.35863888, "Meta"} -> 
    {{20464, 18718, 19851}, {"Inosine triphosphate [ C10 H15 N4 O14 P3, \
db=53.73, overall=26.87, HMP ID=HMDB00189, KEGG ID= ]", ""}}, 
   {656.0118, 0.36025003, "Meta"} -> {{23934, 24253, 17229}, {"", ""}}, 
   {738.0146, 0.3612308, "Meta"} -> {{20358, 20445, 1}, {"", ""}}, 
   {1278.0948, 0.3672727, "Meta"} -> {{16685, 19053, 14589}, {"", ""}}, 
   {436.0787, 0.36760005, "Meta"} -> {{44845, 40934, 34783}, {"", ""}}, 
   {340.0591, 0.3675589, "Meta"} -> {{48637, 42935, 36152}, {"", ""}}, 
   {600.0828, 0.36788896, "Meta"} -> {{75441, 73585, 59583}, {"", ""}}, 
   {586.0686, 0.36716667, "Meta"} -> {{32506, 30615, 24659}, {"", ""}}, 
   {504.0638, 0.3671143, "Meta"} -> {{31594, 30305, 24750}, {"", ""}}, 
   {682.0872, 0.36725715, "Meta"} -> {{27867, 28592, 23276}, {"", ""}}, 
   {518.081, 0.36761123, "Meta"} -> {{71526, 73664, 60078}, {"", ""}}, 
   {168.0872, 0.36461288, "Meta"} -> {{136582, 46192, 109591}, {"", ""}}, 
   {354.0757, 0.36960006, "Meta"} -> {{132173, 125882, 99394}, 
     {"N-Desmethylketazolam [ C19 H15 Cl N2 O3, db=61.05, overall=30.52, KEGG \
ID=, CAS ID=26945-40-4 ]", "26945-40-4"}}, {764.0883, 0.36781484, "Meta"} -> 
    {{14954, 13860, 11806}, {"", ""}}, {1442.1014, 0.36745453, "Meta"} -> 
    {{19811, 21508, 17888}, {"", ""}}, {1110.0033, 0.36859375, "Meta"} -> 
    {{58575, 33647, 56234}, {"", ""}}, {185.9878, 0.37075, "Meta"} -> 
    {{3104572, 3325779, 3292851}, {"", ""}}, 
   {103.9855, 0.37086117, "Meta"} -> {{1496870, 1481828, 1226488}, {"", ""}}, 
   {842.5152, 0.37236363, "Meta"} -> {{60305, 59409, 57920}, 
     {"Spiramycin 1 [ C43 H74 N2 O14, db=50.52, overall=25.26, KEGG \
ID=C01754, CAS ID=24916-50-5 ]", "24916-50-5"}}, 
   {1274.0109, 0.37162504, "Meta"} -> {{195649, 195127, 182082}, {"", ""}}, 
   {2094.0337, 0.37128574, "Meta"} -> {{86078, 89696, 80737}, {"", ""}}, 
   {2504.0469, 0.37122574, "Meta"} -> {{40642, 37554, 35602}, {"", ""}}, 
   {2176.057, 0.37145713, "Meta"} -> {{127349, 121412, 122502}, {"", ""}}, 
   {1848.0302, 0.37174284, "Meta"} -> {{326181, 302698, 308510}, {"", ""}}, 
   {678.5085, 0.37215626, "Meta"} -> {{53823, 50414, 51171}, 
     {"GPCho(14:0/14:0[U]) [ C36 H73 N O8 P, db=51.87, overall=25.93, Lipid \
ID=LMGP01010478, KEGG ID= ]", ""}}, {678.0101, 0.37240005, "Meta"} -> 
    {{1054870, 1040175, 1040083}, {"", ""}}, {760.0074, 0.3722353, "Meta"} -> 
    {{659823, 656992, 664925}, {"", ""}}, {349.9932, 0.3725278, "Meta"} -> 
    {{2375499, 2220392, 2110351}, {"", ""}}, 
   {2012.0356, 0.37163636, "Meta"} -> {{260079, 255454, 256167}, {"", ""}}, 
   {760.5129, 0.37200004, "Meta"} -> {{56701, 52125, 56673}, {"", ""}}, 
   {1930.0293, 0.37155885, "Meta"} -> {{123596, 124525, 125594}, {"", ""}}, 
   {1766.0236, 0.37175757, "Meta"} -> {{180797, 164869, 164927}, {"", ""}}, 
   {1438.0165, 0.37166667, "Meta"} -> {{226892, 223044, 221423}, {"", ""}}, 
   {1602.032, 0.37169698, "Meta"} -> {{212939, 212816, 215264}, {"", ""}}, 
   {2258.056, 0.37132356, "Meta"} -> {{50038, 51549, 51443}, {"", ""}}, 
   {2340.0415, 0.3715, "Meta"} -> {{70532, 66414, 65646}, {"", ""}}, 
   {1617.9949, 0.37353334, "Meta"} -> {{51443, 51688, 54863}, {"", ""}}, 
   {842.0098, 0.37212902, "Meta"} -> {{499799, 501826, 491054}, {"", ""}}, 
   {596.003, 0.3728823, "Meta"} -> {{1618272, 1608993, 1586173}, {"", ""}}, 
   {431.9965, 0.37666664, "Meta"} -> {{3076072, 3018125, 2989309}, {"", ""}}, 
   {1781.9979, 0.37309682, "Meta"} -> {{45208, 40690, 40308}, {"", ""}}, 
   {514.0034, 0.37308568, "Meta"} -> {{3231781, 3139391, 3117469}, {"", ""}}, 
   {267.9908, 0.3730278, "Meta"} -> {{6108873, 5927775, 5890715}, {"", ""}}, 
   {2110.02, 0.37291667, "Meta"} -> {{23153, 20670, 24134}, {"", ""}}, 
   {1535.9908, 0.37340006, "Meta"} -> {{44336, 44946, 39390}, {"", ""}}, 
   {1371.9957, 0.3735173, "Meta"} -> {{37446, 37880, 41020}, {"", ""}}, 
   {1864.011, 0.3730323, "Meta"} -> {{35856, 34627, 37501}, {"", ""}}, 
   {1699.9985, 0.3731875, "Meta"} -> {{42675, 45025, 43306}, {"", ""}}, 
   {1946.0074, 0.37290323, "Meta"} -> {{31415, 31375, 34860}, {"", ""}}, 
   {2028.023, 0.37268, "Meta"} -> {{31053, 24440, 26844}, {"", ""}}, 
   {365.97, 0.37485716, "Meta"} -> {{139754, 138949, 139238}, {"", ""}}, 
   {1453.9904, 0.3735, "Meta"} -> {{46594, 43187, 47189}, {"", ""}}, 
   {1207.9905, 0.37368754, "Meta"} -> {{24657, 22435, 22638}, {"", ""}}, 
   {447.9728, 0.37527272, "Meta"} -> {{225502, 229922, 229754}, {"", ""}}, 
   {1289.9849, 0.37362495, "Meta"} -> {{35557, 29994, 34468}, {"", ""}}, 
   {529.9721, 0.37509674, "Meta"} -> {{224993, 220891, 223843}, {"", ""}}, 
   {283.9663, 0.37641668, "Meta"} -> {{291598, 304503, 313488}, {"", ""}}, 
   {693.9824, 0.3773871, "Meta"} -> {{96205, 92478, 94844}, {"", ""}}, 
   {775.9853, 0.37764287, "Meta"} -> {{64070, 66515, 68499}, {"", ""}}, 
   {611.9799, 0.37734482, "Meta"} -> {{140049, 136594, 136573}, {"", ""}}, 
   {857.9875, 0.3774839, "Meta"} -> {{51378, 47101, 46788}, {"", ""}}, 
   {1413.9979, 0.38107693, "Meta"} -> {{46789, 43605, 1}, {"", ""}}, 
   {1331.9816, 0.38222224, "Meta"} -> {{51755, 46713, 1}, {"", ""}}, 
   {1495.995, 0.38175866, "Meta"} -> {{43543, 41592, 1}, {"", ""}}, 
   {1249.9858, 0.38258335, "Meta"} -> {{44521, 47315, 1}, {"", ""}}, 
   {1167.9846, 0.38393104, "Meta"} -> {{38686, 36238, 34871}, {"", ""}}, 
   {571.9606, 0.3881667, "Meta"} -> {{215070, 1, 215809}, {"", ""}}, 
   {489.9575, 0.38891178, "Meta"} -> {{310524, 291818, 304946}, {"", ""}}, 
   {407.9539, 0.38981822, "Meta"} -> {{356182, 328581, 354988}, {"", ""}}, 
   {325.9501, 0.3924723, "Meta"} -> {{256562, 242780, 248156}, {"", ""}}, 
   {465.9127, 0.39305556, "Meta"} -> {{220808, 208731, 219337}, {"", ""}}, 
   {259.9214, 0.39474198, "Meta"} -> {{133916, 132003, 140618}, {"", ""}}, 
   {605.8735, 0.39525005, "Meta"} -> {{92431, 1, 116784}, {"", ""}}, 
   {243.9473, 0.3973611, "Meta"} -> {{1279374, 1254721, 1297331}, {"", ""}}, 
   {383.9092, 0.39772224, "Meta"} -> {{237886, 227785, 236187}, {"", ""}}, 
   {523.872, 0.3975429, "Meta"} -> {{154305, 150273, 146898}, {"", ""}}, 
   {581.8306, 0.40027776, "Meta"} -> {{126239, 120336, 133552}, {"", ""}}, 
   {639.7888, 0.40351427, "Meta"} -> {{101786, 108993, 110157}, {"", ""}}, 
   {441.8685, 0.4018334, "Meta"} -> {{224133, 219994, 230559}, {"", ""}}, 
   {697.7475, 0.40715998, "Meta"} -> {{89917, 1, 91624}, {"", ""}}, 
   {499.8273, 0.40608332, "Meta"} -> {{176661, 171185, 172746}, {"", ""}}, 
   {615.7448, 0.40847063, "Meta"} -> {{133426, 140639, 133440}, {"", ""}}, 
   {301.9058, 0.40786114, "Meta"} -> {{263559, 251458, 260888}, {"", ""}}, 
   {673.7031, 0.41129026, "Meta"} -> {{92349, 89329, 1}, {"", ""}}, 
   {359.8649, 0.41030556, "Meta"} -> {{192502, 189887, 185814}, {"", ""}}, 
   {417.8229, 0.4105714, "Meta"} -> {{208064, 205554, 199988}, {"", ""}}, 
   {755.7073, 0.41121435, "Meta"} -> {{65410, 65869, 1}, {"", ""}}, 
   {475.7822, 0.41099995, "Meta"} -> {{165577, 156788, 144075}, {"", ""}}, 
   {575.7568, 0.41006452, "Meta"} -> {{29251, 1, 20427}, {"", ""}}, 
   {219.9025, 0.4121111, "Meta"} -> {{476929, 461261, 444072}, {"", ""}}, 
   {651.6545, 0.41184002, "Meta"} -> {{59738, 56965, 1}, 
     {"Cer(d18:0/24:0) [ C42 H85 N O3, db=58.22, overall=29.11, Lipid \
ID=LMSP02020012, KEGG ID= ]", ""}}, {593.6968, 0.41163632, "Meta"} -> 
    {{86235, 91533, 1}, {"", ""}}, {277.8617, 0.41355553, "Meta"} -> 
    {{259334, 220132, 245496}, {"", ""}}, {161.944, 0.4130858, "Meta"} -> 
    {{241234, 243081, 228693}, {"", ""}}, {607.0989, 0.41675, "Meta"} -> 
    {{32288, 30158, 35988}, {"", ""}}, {525.0954, 0.41841662, "Meta"} -> 
    {{78329, 69878, 76598}, {"Sertraline Carbamic acid glucuronide [ C24 H25 \
Cl2 N O8, db=66.50, overall=33.25, KEGG ID=, CAS ID=119733-44-7 ]", 
      "119733-44-7"}}, {377.0618, 0.41700003, "Meta"} -> 
    {{28929, 23755, 24791}, {"", ""}}, {295.0595, 0.42075, "Meta"} -> 
    {{245997, 217496, 205027}, {"5-Aminoimidazole ribonucleotide [ C8 H14 N3 \
O7 P, db=61.18, overall=30.59, HMP ID=HMDB01235, KEGG ID= ]", ""}}, 
   {361.0891, 0.4204722, "Meta"} -> {{476091, 428924, 454753}, 
     {"His Cys Cys [ C12 H19 N5 O4 S2, db=74.60, overall=37.30 ]", ""}}, 
   {443.0923, 0.42244443, "Meta"} -> {{99282, 88069, 91673}, {"", ""}}, 
   {536.1894, 0.42578793, "Meta"} -> {{148899, 106097, 128273}, {"", ""}}, 
   {342.008, 0.44034287, "Meta"} -> {{54027, 55467, 45151}, {"", ""}}, 
   {279.085, 0.43405554, "Meta"} -> {{3115249, 2569367, 2603231}, {"", ""}}, 
   {284.0491, 0.4420606, "Meta"} -> {{69824, 63383, 55631}, {"", ""}}, 
   {103.0999, 0.44377777, "Meta"} -> {{400239, 331703, 296713}, {"", ""}}, 
   {481.9704, 0.44212005, "Meta"} -> {{11571, 1, 9954}, {"", ""}}, 
   {183.0875, 0.44372222, "Meta"} -> {{363057, 364578, 321132}, {"", ""}}, 
   {224.0281, 0.4447647, "Meta"} -> {{192727, 187094, 169639}, 
     {"Cys Cys [ C6 H12 N2 O3 S2, db=64.23, overall=32.11 ]", ""}}, 
   {457.0211, 0.45377782, "Meta"} -> {{22540, 20793, 1}, {"", ""}}, 
   {135.0411, 0.4499394, "Meta"} -> {{974789, 1, 760928}, {"", ""}}, 
   {262.078, 0.45158333, "Meta"} -> {{359069, 337168, 290303}, 
     {"Asp Glu [ C9 H14 N2 O7, db=81.80, overall=40.90 ]", ""}}, 
   {202.0446, 0.45386112, "Meta"} -> {{7908934, 7806481, 6814380}, {"", ""}}, 
   {159.0275, 0.45163885, "Meta"} -> {{141518, 146860, 110764}, {"", ""}}, 
   {220.1785, 0.4556666, "Meta"} -> {{124467, 120519, 126283}, {"", ""}}, 
   {404.092, 0.45348275, "Meta"} -> {{52999, 46104, 41231}, {"", ""}}, 
   {315.1044, 0.4536389, "Meta"} -> {{284115, 280882, 212126}, {"", ""}}, 
   {320.036, 0.4549231, "Meta"} -> {{27345, 24174, 25441}, {"", ""}}, 
   {382.1086, 0.45669445, "Meta"} -> {{2962223, 2956862, 2479736}, {"", ""}}, 
   {396.1638, 0.4501666, "Meta"} -> {{29043, 24885, 27264}, 
     {"Asn Tyr Thr [ C17 H24 N4 O7, db=83.05, overall=41.53 ]", ""}}, 
   {113.059, 0.45647225, "Meta"} -> {{628270, 1387406, 485431}, 
     {"Creatinine [ C4 H7 N3 O, db=69.36, overall=34.68, KEGG ID=C00791, CAS \
ID=60-27-5 ]", "60-27-5"}}, {339.0908, 0.4577187, "Meta"} -> 
    {{30221, 26786, 22766}, 
     {"Cys Ser Met [ C11 H21 N3 O5 S2, db=57.09, overall=28.54 ]", ""}}, 
   {337.0433, 0.45780003, "Meta"} -> {{374600, 311144, 324146}, 
     {"Famotidine [ C8 H15 N7 O2 S3, db=57.43, overall=28.71, KEGG ID=C06994, \
CAS ID=76824-35-6 ]", "76824-35-6"}}, {114.0292, 0.45835483, "Meta"} -> 
    {{161536, 119265, 119802}, {"", ""}}, {174.1111, 0.46506065, "Meta"} -> 
    {{91207, 86047, 80438}, {"Arginine [ C6 H14 N4 O2, db=51.57, \
overall=25.79, KEGG ID=C00062, CAS ID=74-79-3 ]", "74-79-3"}}, 
   {131.0692, 0.46048486, "Meta"} -> {{544853, 550202, 373699}, 
     {"Creatine [ C4 H9 N3 O2, db=99.16, overall=49.58, KEGG ID=C00300, CAS \
ID=6020-87-7 ]", "6020-87-7"}}, {317.9624, 0.46102777, "Meta"} -> 
    {{233204, 227753, 193476}, {"", ""}}, {260.0039, 0.4610556, "Meta"} -> 
    {{593508, 604614, 557790}, {"", ""}}, {139.0609, 0.45847225, "Meta"} -> 
    {{1331453, 1332768, 1041747}, {"", ""}}, 
   {375.9207, 0.46166673, "Meta"} -> {{122733, 154980, 137845}, {"", ""}}, 
   {498.0259, 0.46341926, "Meta"} -> {{46661, 43686, 44838}, {"", ""}}, 
   {161.1053, 0.46408334, "Meta"} -> {{1930569, 2005656, 1610650}, {"", ""}}, 
   {366.1134, 0.4641667, "Meta"} -> {{58788, 57907, 43842}, {"", ""}}, 
   {440.0675, 0.46469444, "Meta"} -> {{159632, 165272, 157928}, {"", ""}}, 
   {175.0959, 0.4649032, "Meta"} -> {{34694, 29430, 28785}, 
     {"Citrulline [ C6 H13 N3 O3, db=47.39, overall=23.69, KEGG ID=C00327, \
CAS ID=372-75-8 ]", "372-75-8"}}, {115.0636, 0.4639722, "Meta"} -> 
    {{1424226, 1425314, 1218602}, {"Proline [ C5 H9 N O2, db=87.30, \
overall=43.65, KEGG ID=C00148, CAS ID=147-85-3 ]", "147-85-3"}}, 
   {256.1436, 0.4642592, "Meta"} -> {{209229, 199052, 194855}, {"", ""}}, 
   {399.0646, 0.4658, "Meta"} -> {{44027, 44443, 36755}, {"", ""}}, 
   {192.1473, 0.46303123, "Meta"} -> {{76096, 80215, 66373}, {"", ""}}, 
   {341.1066, 0.46715382, "Meta"} -> {{41722, 42690, 34169}, 
     {"Tyr Cys Gly [ C14 H19 N3 O5 S, db=77.47, overall=38.73 ]", ""}}, 
   {248.1483, 0.46862853, "Meta"} -> {{103313, 107894, 85083}, {"", ""}}, 
   {159.1256, 0.47108328, "Meta"} -> {{276835, 270960, 226070}, 
     {"DL-2-Aminooctanoic acid [ C8 H17 N O2, db=86.92, overall=43.46, HMP \
ID=HMDB00991, KEGG ID= ]", ""}}, {60.0325, 0.47265622, "Meta"} -> 
    {{450223, 543386, 433055}, {"Urea [ C H4 N2 O, db=87.80, overall=43.90, \
KEGG ID=C00086, CAS ID=57-13-6 ]", "57-13-6"}}, 
   {297.1425, 0.47046667, "Meta"} -> {{304243, 292499, 244604}, 
     {"Ala His Ala [ C12 H19 N5 O4, db=91.10, overall=45.55 ]", ""}}, 
   {117.0784, 0.47286117, "Meta"} -> {{7036129, 6771722, 5591876}, 
     {"5-Aminopentanoic acid [ C5 H11 N O2, db=96.95, overall=48.48, HMP \
ID=HMDB03355, KEGG ID= ]", ""}}, {222.0852, 0.47502783, "Meta"} -> 
    {{82779, 76414, 82592}, {"", ""}}, {302.184, 0.47386664, "Meta"} -> 
    {{30042, 36349, 29192}, {"", ""}}, {240.0955, 0.47499996, "Meta"} -> 
    {{74590, 77446, 70423}, {"", ""}}, {143.0945, 0.4738333, "Meta"} -> 
    {{168855, 149639, 127846}, {"Triparanol [ C7 H13 N O2, db=69.83, \
overall=34.92, HMP ID=HMDB01378, KEGG ID= ]", ""}}, 
   {228.1473, 0.47896966, "Meta"} -> {{235732, 335509, 201190}, 
     {"Leu Pro [ C11 H20 N2 O3, db=61.48, overall=30.74 ]", ""}}, 
   {257.1031, 0.48044443, "Meta"} -> {{2058601, 1796454, 1561013}, 
     {"5-Methylcytidine [ C10 H15 N3 O5, db=85.28, overall=42.64, HMP \
ID=HMDB00982, KEGG ID=, CAS ID=2140-61-6 ]", "2140-61-6"}}, 
   {71.074, 0.48255876, "Meta"} -> {{1057437, 1001374, 846312}, {"", ""}}, 
   {157.1101, 0.4915172, "Meta"} -> {{53813, 1, 44646}, 
     {"Tranexamic acid [ C8 H15 N O2, db=82.75, overall=41.37, KEGG \
ID=C12535, CAS ID=1197-18-8 ]", "1197-18-8"}}, 
   {144.042, 0.48648572, "Meta"} -> {{127790, 130415, 28377}, 
     {"(E)-2-Methylglutaconic acid [ C6 H8 O4, db=81.83, overall=40.91, HMP \
ID=HMDB02266, KEGG ID= ]", ""}}, {240.1471, 0.48564285, "Meta"} -> 
    {{32398, 1, 29099}, {"", ""}}, {162.0524, 0.48472, "Meta"} -> 
    {{147723, 1, 146917}, {"2-Hydroxyadipic acid [ C6 H10 O5, db=74.88, \
overall=37.44, HMP ID=HMDB00321, KEGG ID= ]", ""}}, 
   {307.0891, 0.4947, "Meta"} -> {{21984, 20643, 1}, 
     {"Succinyllipoic acid [ C12 H21 N O4 S2, db=34.62, overall=17.31, HMP \
ID=HMDB01012, KEGG ID= ]", ""}}, {247.9688, 0.49561107, "Meta"} -> 
    {{157441, 85633, 94476}, {"", ""}}, {198.0384, 0.50133336, "Meta"} -> 
    {{92949, 100384, 154025}, {"", ""}}, {168.0283, 0.50608325, "Meta"} -> 
    {{1663746, 1670105, 1770685}, {"Uric acid [ C5 H4 N4 O3, db=97.37, \
overall=48.69, KEGG ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, 
   {191.0248, 0.5051143, "Meta"} -> {{120767, 165005, 130239}, {"", ""}}, 
   {348.0916, 0.5082572, "Meta"} -> {{101936, 112272, 105089}, {"", ""}}, 
   {280.0422, 0.50655884, "Meta"} -> {{40478, 32349, 27712}, {"", ""}}, 
   {133.9952, 0.5028, "Meta"} -> {{253905, 252851, 179034}, {"", ""}}, 
   {129.0423, 0.50794446, "Meta"} -> {{347269, 603655, 485075}, 
     {"Pyroglutamic acid [ C5 H7 N O3, db=86.82, overall=43.41, KEGG \
ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, {309.1056, 0.5132, "Meta"} -> 
    {{33217, 43414, 29160}, {"N-Acetyl-a-neuraminic acid [ C11 H19 N O9, \
db=51.18, overall=25.59, HMP ID=HMDB00773, KEGG ID= ]", ""}}, 
   {548.0497, 0.5119356, "Meta"} -> {{32322, 29152, 19759}, {"", ""}}, 
   {112.0135, 0.51612, "Meta"} -> {{845907, 1, 665270}, {"", ""}}, 
   {396.0151, 0.5267038, "Meta"} -> {{86746, 81502, 1}, {"", ""}}, 
   {393.0659, 0.53931427, "Meta"} -> {{106960, 100841, 71108}, 
     {"5-Hydroxythiabendazole glucuronide [ C16 H15 N3 O7 S, db=55.85, \
overall=27.93, KEGG ID=, CAS ID=6801-82-7 ]", "6801-82-7"}}, 
   {185.1047, 0.54106057, "Meta"} -> {{89001, 1, 81664}, 
     {"Ecgonine [ C9 H15 N O3, db=82.32, overall=41.16, KEGG ID=, CAS \
ID=481-37-8 ]", "481-37-8"}}, {159.068, 0.54042304, "Meta"} -> 
    {{36936, 49265, 1}, {"Indoleacetaldehyde [ C10 H9 N O, db=55.69, \
overall=27.85, HMP ID=HMDB01190, KEGG ID= ]", ""}}, 
   {132.0244, 0.54202855, "Meta"} -> {{145236, 134899, 110946}, {"", ""}}, 
   {149.0507, 0.54125, "Meta"} -> {{1513593, 1471005, 1082047}, 
     {"Methionine [ C5 H11 N O2 S, db=99.04, overall=49.52, KEGG ID=C00073, \
CAS ID=63-68-3 ]", "63-68-3"}}, {279.1315, 0.54772216, "Meta"} -> 
    {{136885, 134479, 158792}, {"", ""}}, {164.047, 0.5517223, "Meta"} -> 
    {{248985, 236495, 226662}, {"p-Coumaric acid [ C9 H8 O3, db=86.35, \
overall=43.17, KEGG ID=, CAS ID=7400-08-0 ]", "7400-08-0"}}, 
   {181.0737, 0.5518889, "Meta"} -> {{2925604, 2784323, 2412237}, 
     {"Tyrosine [ C9 H11 N O3, db=99.43, overall=49.71, KEGG ID=C00082, CAS \
ID=60-18-4 ]", "60-18-4"}}, {122.0354, 0.55100006, "Meta"} -> 
    {{322364, 200967, 159946}, {"", ""}}, {321.1047, 0.5580909, "Meta"} -> 
    {{93887, 78871, 80087}, {"", ""}}, {311.1578, 0.55884373, "Meta"} -> 
    {{397979, 1, 266249}, 
     {"Gly Val His [ C13 H21 N5 O4, db=80.96, overall=40.48 ]", ""}}, 
   {131.0946, 0.5592222, "Meta"} -> {{2.98*^7, 2.89*^7, 2.18*^7}, 
     {"Leucine [ C6 H13 N O2, db=99.82, overall=49.91, KEGG ID=C00123, CAS \
ID=61-90-5 ]", "61-90-5"}}, {85.0889, 0.5585, "Meta"} -> 
    {{4043648, 3673318, 2906226}, {"", ""}}, 
   {175.0582, 0.55870366, "Meta"} -> {{230449, 230814, 136742}, 
     {"Guanidinosuccinic Acid [ C5 H9 N3 O4, db=74.59, overall=37.29, KEGG \
ID=C03139, CAS ID=6133-30-8 ]", "6133-30-8"}}, 
   {230.0767, 0.58708334, "Meta"} -> {{47408, 42499, 1}, {"", ""}}, 
   {124.0136, 0.573853, "Meta"} -> {{176888, 154470, 84836}, {"", ""}}, 
   {262.1892, 0.5915186, "Meta"} -> {{165012, 155279, 108480}, {"", ""}}, 
   {315.1291, 0.6577931, "Meta"} -> {{34470, 45689, 38622}, {"", ""}}, 
   {181.0738, 0.63259375, "Meta"} -> {{1622298, 1438469, 1120459}, 
     {"Tyrosine [ C9 H11 N O3, db=99.69, overall=49.85, KEGG ID=C00082, CAS \
ID=60-18-4 ]", "60-18-4"}}, {321.1046, 0.64432, "Meta"} -> 
    {{68125, 1, 1}, {"", ""}}, {262.1526, 0.64625, "Meta"} -> 
    {{31706, 26065, 1}, {"", ""}}, {85.0891, 0.65061104, "Meta"} -> 
    {{3967751, 3586057, 2931762}, {"", ""}}, 
   {131.0943, 0.65075004, "Meta"} -> {{3.1*^7, 2.82*^7, 2.22*^7}, 
     {"Leucine [ C6 H13 N O2, db=98.20, overall=49.10, KEGG ID=C00123, CAS \
ID=61-90-5 ]", "61-90-5"}}, {184.0232, 0.6469033, "Meta"} -> 
    {{461953, 514655, 614656}, {"", ""}}, {396.0152, 0.65655553, "Meta"} -> 
    {{54888, 50195, 46838}, {"", ""}}, {198.0385, 0.6591563, "Meta"} -> 
    {{61139, 72321, 112407}, {"", ""}}, {366.1426, 0.73793095, "Meta"} -> 
    {{13774, 94625, 88302}, {"", ""}}, {564.0432, 0.6553846, "Meta"} -> 
    {{21039, 20656, 1}, {"", ""}}, {168.0284, 0.66358334, "Meta"} -> 
    {{3508769, 3226172, 2788719}, {"Uric acid [ C5 H4 N4 O3, db=99.35, \
overall=49.68, KEGG ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, 
   {352.0513, 0.6635001, "Meta"} -> {{116565, 107551, 119226}, {"", ""}}, 
   {191.0249, 0.6656572, "Meta"} -> {{472865, 585099, 385351}, {"", ""}}, 
   {176.0948, 0.66323525, "Meta"} -> {{61159, 64488, 1}, 
     {"Serotonin [ C10 H12 N2 O, db=81.86, overall=40.93, KEGG ID=C00780, CAS \
ID=50-67-9 ]", "50-67-9"}}, {343.1261, 0.6673332, "Meta"} -> 
    {{40136, 50480, 45387}, {"b-D-Glucopyranosiduronic acid [ C15 H21 N O8, \
db=84.47, overall=42.23, KEGG ID=, CAS ID=33150-82-2 ]", "33150-82-2"}}, 
   {159.0679, 0.6692903, "Meta"} -> {{61097, 54429, 1}, 
     {"Indoleacetaldehyde [ C10 H9 N O, db=58.61, overall=29.30, HMP \
ID=HMDB01190, KEGG ID= ]", ""}}, {542.0351, 0.6685769, "Meta"} -> 
    {{34951, 23891, 1}, {"cefonicid [ C18 H18 N6 O8 S3, db=52.28, \
overall=26.14, KEGG ID=, CAS ID= ]", ""}}, {267.1331, 0.6696945, "Meta"} -> 
    {{82976, 84260, 62817}, {"", ""}}, {346.076, 0.6595, "Meta"} -> 
    {{29614, 29576, 33214}, {"", ""}}, {366.0667, 0.6683939, "Meta"} -> 
    {{38396, 33860, 43661}, {"", ""}}, {348.0913, 0.6686563, "Meta"} -> 
    {{74579, 77043, 1}, {"", ""}}, {478.0537, 0.6733429, "Meta"} -> 
    {{45831, 34797, 31383}, {"", ""}}, {129.0423, 0.67652774, "Meta"} -> 
    {{607435, 389852, 587415}, {"Pyroglutamic acid [ C5 H7 N O3, db=60.99, \
overall=30.50, KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {297.0706, 0.67399997, "Meta"} -> {{24439, 21548, 25828}, {"", ""}}, 
   {414.0701, 0.68071425, "Meta"} -> {{21843, 18303, 1}, {"", ""}}, 
   {104.0473, 0.7109601, "Meta"} -> {{153495, 1, 133103}, 
     {"a-hydroxybutyrate [ C4 H8 O3, db=87.83, overall=43.92, KEGG ID=, CAS \
ID= ]", ""}}, {293.1474, 0.70211107, "Meta"} -> {{988987, 1156305, 1077178}, 
     {"", ""}}, {124.0136, 0.698871, "Meta"} -> {{179046, 157085, 142473}, 
     {"", ""}}, {244.0693, 0.69808567, "Meta"} -> {{103379, 98635, 75571}, 
     {"Uridine [ C9 H12 N2 O6, db=80.06, overall=40.03, KEGG ID=C00299, CAS \
ID=58-96-8 ]", "58-96-8"}}, {228.1472, 0.70621204, "Meta"} -> 
    {{311206, 331861, 225428}, 
     {"Leu Pro [ C11 H20 N2 O3, db=86.33, overall=43.17 ]", ""}}, 
   {246.1213, 0.72223526, "Meta"} -> {{72876, 65118, 55309}, 
     {"Ile Asp [ C10 H18 N2 O5, db=79.46, overall=39.73 ]", ""}}, 
   {126.0292, 0.7198077, "Meta"} -> {{1792254, 1696085, 1377537}, {"", ""}}, 
   {347.9839, 0.72131026, "Meta"} -> {{98168, 79630, 86293}, {"", ""}}, 
   {252.1109, 0.7333571, "Meta"} -> {{107708, 1, 105830}, 
     {"Tyr Ala [ C12 H16 N2 O4, db=96.68, overall=48.34 ]", ""}}, 
   {338.0838, 0.75042427, "Meta"} -> {{121743, 119184, 84729}, {"", ""}}, 
   {148.0112, 0.75524235, "Meta"} -> {{181535, 161241, 130098}, {"", ""}}, 
   {136.0384, 0.7559166, "Meta"} -> {{2846397, 2434071, 1949763}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=95.18, overall=47.59, KEGG ID=C00262, \
CAS ID=68-94-0 ]", "68-94-0"}}, {277.0016, 0.76956004, "Meta"} -> 
    {{160273, 121001, 142840}, {"", ""}}, {161.0507, 0.7749999, "Meta"} -> 
    {{521206, 429439, 249143}, {"", ""}}, {301.1176, 0.832861, "Meta"} -> 
    {{61564, 71822, 34205}, {"", ""}}, {263.0468, 0.8569698, "Meta"} -> 
    {{62363, 44411, 47498}, {"Normetanephrine sulfate [ C9 H13 N O6 S, \
db=62.13, overall=31.07, KEGG ID=, CAS ID=1215-29-8 ]", "1215-29-8"}}, 
   {427.2543, 0.88016677, "Meta"} -> {{13913, 49019, 1}, {"", ""}}, 
   {533.1839, 0.8766785, "Meta"} -> {{42122, 41624, 1}, {"", ""}}, 
   {208.0844, 0.8729697, "Meta"} -> {{888989, 801651, 696759}, 
     {"Kynurenine [ C10 H12 N2 O3, db=98.79, overall=49.40, KEGG ID=C00328, \
CAS ID=343-65-7 ]", "343-65-7"}}, {310.1159, 0.87493944, "Meta"} -> 
    {{75879, 56857, 38212}, 
     {"Tyr Glu [ C14 H18 N2 O6, db=80.16, overall=40.08 ]", ""}}, 
   {130.0417, 0.889875, "Meta"} -> {{374638, 374187, 292715}, {"", ""}}, 
   {119.0736, 0.8910293, "Meta"} -> {{8656351, 8194397, 6432852}, {"", ""}}, 
   {165.0784, 0.88927776, "Meta"} -> {{4.71*^7, 4.62*^7, 3.64*^7}, 
     {"2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, db=96.07, \
overall=48.03, KEGG ID=, CAS ID=18259-42-2 ]", "18259-42-2"}}, 
   {102.047, 0.8869601, "Meta"} -> {{80664, 1, 30597}, {"", ""}}, 
   {268.0808, 0.88524127, "Meta"} -> {{154891, 134466, 80171}, 
     {"Inosine [ C10 H12 N4 O5, db=85.71, overall=42.86, KEGG ID=C00294, CAS \
ID=58-63-9 ]", "58-63-9"}}, {518.1942, 0.9226364, "Meta"} -> 
    {{28150, 31086, 20790}, {"Gossypol [ C30 H30 O8, db=74.85, overall=37.42, \
Lipid ID=LMPR01030019, KEGG ID=C07667 ]", ""}}, 
   {359.1316, 0.92291445, "Meta"} -> {{44202, 44275, 27651}, 
     {"Asp Glu Pro [ C14 H21 N3 O8, db=49.24, overall=24.62 ]", ""}}, 
   {358.1738, 0.921639, "Meta"} -> {{59734, 56384, 37011}, {"", ""}}, 
   {315.1679, 0.92541665, "Meta"} -> {{4441134, 4391788, 2768535}, {"", ""}}, 
   {246.1213, 0.9403793, "Meta"} -> {{58477, 53646, 41989}, 
     {"Ile Asp [ C10 H18 N2 O5, db=75.39, overall=37.69 ]", ""}}, 
   {348.1567, 0.99688005, "Meta"} -> {{173320, 157300, 1}, 
     {"Ala Arg Cys [ C12 H24 N6 O4 S, db=90.69, overall=45.35 ]", ""}}, 
   {150.0887, 1.0149167, "Meta"} -> {{3.42*^7, 3.51*^7, 6258209}, {"", ""}}, 
   {380.1186, 1.0151613, "Meta"} -> {{173951, 201661, 90376}, 
     {"Cys Gln Met [ C13 H24 N4 O5 S2, db=70.63, overall=35.32 ]", ""}}, 
   {88.0527, 1.0138214, "Meta"} -> {{907534, 988895, 791645}, 
     {"Acetoin [ C4 H8 O2, db=98.92, overall=49.46, KEGG ID=C00810, CAS \
ID=513-86-0 ]", "513-86-0"}}, {132.0785, 1.0133704, "Meta"} -> 
    {{355366, 383949, 279318}, {"2-Hydroxy-4-methylvaleric acid [ C6 H12 O3, \
db=96.66, overall=48.33, KEGG ID=, CAS ID=13748-90-8 ]", "13748-90-8"}}, 
   {248.0572, 1.018941, "Meta"} -> {{984672, 1021003, 1039610}, 
     {"Pyridoxamine Phosphate [ C8 H13 N2 O5 P, db=92.97, overall=46.48, KEGG \
ID=C00647, CAS ID=529-96-4 ]", "529-96-4"}}, {264.0292, 1.0199355, "Meta"} -> 
    {{368754, 270961, 204382}, {"(3-Methoxy-4-hydroxyphenyl)ethylene glycol \
sulfate [ C9 H12 O7 S, db=58.12, overall=29.06, KEGG ID=, CAS ID=3415-67-6 ]"\
, "3415-67-6"}}, {239.9853, 1.04124, "Meta"} -> {{79592, 56719, 33136}, 
     {"", ""}}, {210.1212, 1.0249231, "Meta"} -> {{279336, 1, 248360}, 
     {"", ""}}, {338.1254, 1.0379394, "Meta"} -> {{546782, 583857, 1}, 
     {"", ""}}, {353.0898, 1.0451715, "Meta"} -> {{213695, 184586, 115321}, 
     {"Acenocoumarol [ C19 H15 N O6, db=85.70, overall=42.85, KEGG ID=, CAS \
ID=152-72-7 ]", "152-72-7"}}, {327.1318, 1.0948066, "Meta"} -> 
    {{248472, 307894, 259565}, {"", ""}}, {231.1472, 1.1548711, "Meta"} -> 
    {{82790, 97708, 59163}, {"Isobutyryl carnitine [ C11 H21 N O4, db=82.39, \
overall=41.19, KEGG ID=, CAS ID=25518-49-4 ]", "25518-49-4"}}, 
   {354.1791, 1.2549354, "Meta"} -> {{492159, 503379, 298798}, {"", ""}}, 
   {291.0178, 1.2728126, "Meta"} -> {{51783, 45197, 44855}, {"", ""}}, 
   {276.0544, 1.2674193, "Meta"} -> {{51741, 48992, 1}, {"", ""}}, 
   {216.0308, 1.2762144, "Meta"} -> {{101156, 58569, 76729}, {"", ""}}, 
   {117.0578, 1.2811853, "Meta"} -> {{253530, 1, 115203}, 
     {"Indole [ C8 H7 N, db=70.72, overall=35.36, KEGG ID=C00463, CAS \
ID=120-72-9 ]", "120-72-9"}}, {204.0894, 1.2753054, "Meta"} -> 
    {{6.83*^7, 6.23*^7, 4.69*^7}, {"Tryptophan [ C11 H12 N2 O2, db=95.92, \
overall=47.96, KEGG ID=C00078, CAS ID=73-22-3 ]", "73-22-3"}}, 
   {187.0628, 1.2740554, "Meta"} -> {{1.67*^7, 1.53*^7, 1.17*^7}, 
     {"Indoleacrylic acid [ C11 H9 N O2, db=97.72, overall=48.86, HMP \
ID=HMDB00734, KEGG ID=, CAS ID=1204-06-4 ]", "1204-06-4"}}, 
   {650.2158, 1.2843436, "Meta"} -> {{100597, 32114, 32360}, {"", ""}}, 
   {302.0588, 1.2867241, "Meta"} -> {{167219, 84989, 119904}, {"", ""}}, 
   {276.0543, 1.4092578, "Meta"} -> {{78565, 68378, 51148}, {"", ""}}, 
   {291.0175, 1.4124061, "Meta"} -> {{86384, 61110, 45779}, {"", ""}}, 
   {230.1631, 1.4211999, "Meta"} -> {{151280, 104352, 80754}, 
     {"Leu Val [ C11 H22 N2 O3, db=83.67, overall=41.83 ]", ""}}, 
   {280.1058, 1.5567034, "Meta"} -> {{40988, 1, 25425}, 
     {"Phe Asp [ C13 H16 N2 O5, db=70.05, overall=35.02 ]", ""}}, 
   {366.1426, 1.5676208, "Meta"} -> {{284387, 340816, 279061}, {"", ""}}, 
   {157.11, 1.5776898, "Meta"} -> {{76162, 80602, 1}, 
     {"Tranexamic acid [ C8 H15 N O2, db=74.57, overall=37.29, KEGG \
ID=C12535, CAS ID=1197-18-8 ]", "1197-18-8"}}, 
   {219.1104, 1.6220001, "Meta"} -> {{50775, 1, 1}, 
     {"Pantothenic Acid [ C9 H17 N O5, db=55.18, overall=27.59, KEGG ID=, CAS \
ID=137-08-6 ]", "137-08-6"}}, {260.1369, 1.7801199, "Meta"} -> 
    {{158763, 1, 150541}, 
     {"Glu Leu [ C11 H20 N2 O5, db=77.86, overall=38.93 ]", ""}}, 
   {208.0161, 1.9748787, "Meta"} -> {{70132, 121115, 38765}, {"", ""}}, 
   {260.1368, 1.9889677, "Meta"} -> {{220158, 183452, 140128}, 
     {"Glu Leu [ C11 H20 N2 O5, db=90.71, overall=45.35 ]", ""}}, 
   {131.0368, 2.0663033, "Meta"} -> {{378751, 489255, 449153}, {"", ""}}, 
   {613.3187, 2.414278, "Meta"} -> {{143173, 125584, 86706}, {"", ""}}, 
   {294.1216, 2.470125, "Meta"} -> {{53634, 48155, 43745}, 
     {"Aspartame [ C14 H18 N2 O5, db=72.39, overall=36.19, HMP ID=HMDB01894, \
KEGG ID= ]", ""}}, {245.1627, 2.565185, "Meta"} -> 
    {{382545, 1, 275097}, {"2-Methylbutyroylcarnitine [ C12 H23 N O4, \
db=86.34, overall=43.17, HMP ID=HMDB00378, KEGG ID= ]", ""}}, 
   {246.1366, 2.6443236, "Meta"} -> {{400534, 360886, 268980}, {"", ""}}, 
   {159.1255, 2.8531144, "Meta"} -> {{359172, 328872, 239153}, 
     {"DL-2-Aminooctanoic acid [ C8 H17 N O2, db=83.22, overall=41.61, HMP \
ID=HMDB00991, KEGG ID= ]", ""}}, {294.2798, 2.8666072, "Meta"} -> 
    {{95856, 30691, 29343}, {"", ""}}, {129.1512, 2.8755276, "Meta"} -> 
    {{6866343, 4471090, 4472742}, {"", ""}}, {179.0578, 2.9460568, "Meta"} -> 
    {{5003849, 4388853, 2327201}, {"5,8-Dihydroxy-3,4-dihydrocarbostyril [ C9 \
H9 N O3, db=94.87, overall=47.43, KEGG ID=, CAS ID=59430-56-7 ]", 
      "59430-56-7"}}, {457.2172, 3.21976, "Meta"} -> 
    {{41942, 37469, 1}, 
     {"Leu Tyr Tyr [ C24 H31 N3 O6, db=60.12, overall=30.06 ]", ""}}, 
   {113.0839, 3.4427686, "Meta"} -> {{80070, 1, 148874}, {"", ""}}, 
   {457.2171, 3.449129, "Meta"} -> {{55074, 44091, 27352}, 
     {"Leu Tyr Tyr [ C24 H31 N3 O6, db=66.31, overall=33.16 ]", ""}}, 
   {353.0194, 3.4831946, "Meta"} -> {{224557, 159434, 111549}, 
     {"H 152/66 [ C16 H13 Cl2 N O4, db=34.19, overall=17.09, KEGG ID=, CAS \
ID=91854-02-3 ]", "91854-02-3"}}, {180.0646, 3.4828331, "Meta"} -> 
    {{3783994, 3263974, 2542895}, {"Paraxanthine [ C7 H8 N4 O2, db=97.04, \
overall=48.52, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {338.0584, 3.4828844, "Meta"} -> {{107754, 94882, 72772}, {"", ""}}, 
   {184.1207, 3.5528529, "Meta"} -> {{307397, 291778, 213645}, {"", ""}}, 
   {286.0929, 3.6669033, "Meta"} -> {{340468, 307889, 228235}, 
     {"5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin [ C15 H14 \
N2 O4, db=80.32, overall=40.16, KEGG ID=, CAS ID=28129-90-0 ]", 
      "28129-90-0"}}, {262.1315, 3.6955454, "Meta"} -> 
    {{112379, 96308, 76382}, 
     {"Pro Phe [ C14 H18 N2 O3, db=79.05, overall=39.52 ]", ""}}, 
   {484.3516, 3.714577, "Meta"} -> {{98082, 75306, 1}, 
     {"(22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimethyl-23,24-tetradehydro-\
20-epivitamin D3 / (22S)-1alph [ C31 H48 O4, db=68.14, overall=34.07, Lipid \
ID=LMST03020487, KEGG ID= ]", ""}}, {264.1109, 3.7114289, "Meta"} -> 
    {{993976, 946066, 693357}, {"", ""}}, {300.9474, 3.7771254, "Meta"} -> 
    {{92030, 58855, 1}, {"", ""}}, {285.9843, 3.784971, "Meta"} -> 
    {{204994, 140483, 114281}, {"", ""}}, {406.0258, 3.779679, "Meta"} -> 
    {{87317, 85437, 61605}, {"", ""}}, {346.0054, 3.7820883, "Meta"} -> 
    {{350577, 277161, 217245}, {"", ""}}, {390.0608, 3.9207745, "Meta"} -> 
    {{40395, 74994, 53801}, {"", ""}}, {194.1056, 3.9298828, "Meta"} -> 
    {{127422, 111233, 86381}, {"3-Hydroxy-N-glycyl-2,6-xylidine \
(3-Hydroxyglycinexylidide) [ C10 H14 N2 O2, db=79.20, overall=39.60, KEGG \
ID=, CAS ID=112606-87-8 ]", "112606-87-8"}}, {123.0431, 3.9404666, "Meta"} -> 
    {{121728, 101307, 82693}, {"Pyrazinamide [ C5 H5 N3 O, db=73.22, \
overall=36.61, KEGG ID=C01956, CAS ID=98-96-4 ]", "98-96-4"}}, 
   {180.0647, 3.9408891, "Meta"} -> {{4932782, 4604209, 3376078}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=98.66, overall=49.33, KEGG ID=, CAS \
ID=611-59-6 ]", "611-59-6"}}, {353.02, 3.9439723, "Meta"} -> 
    {{91787, 71156, 50434}, {"H 152/66 [ C16 H13 Cl2 N O4, db=40.19, \
overall=20.09, KEGG ID=, CAS ID=91854-02-3 ]", "91854-02-3"}}, 
   {338.06, 3.9440384, "Meta"} -> {{41023, 34742, 32496}, 
     {"1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide (AICAR) [ C9 H15 \
N4 O8 P, db=56.82, overall=28.41, KEGG ID=C04677, CAS ID=3031-94-5 ]", 
      "3031-94-5"}}, {282.0003, 4.0873055, "Meta"} -> 
    {{388917, 329198, 234892}, {"", ""}}, {244.1785, 4.1058927, "Meta"} -> 
    {{67468, 53867, 38698}, 
     {"Leu Leu [ C12 H24 N2 O3, db=80.30, overall=40.15 ]", ""}}, 
   {315.2042, 4.138722, "Meta"} -> {{386280, 329656, 311712}, {"", ""}}, 
   {180.0646, 4.184583, "Meta"} -> {{1376444, 1212133, 933354}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=96.10, overall=48.05, KEGG ID=, CAS \
ID=611-59-6 ]", "611-59-6"}}, {196.1205, 4.4604373, "Meta"} -> 
    {{103258, 48124, 51871}, {"", ""}}, {259.1781, 4.5265555, "Meta"} -> 
    {{20558, 23624, 1}, {"L-Glutamic acid dibutyl ester [ C13 H25 N O4, \
db=69.80, overall=34.90, KEGG ID=, CAS ID=4261-76-1 ]", "4261-76-1"}}, 
   {278.1625, 4.5463552, "Meta"} -> {{35525, 35106, 25357}, 
     {"Phe Leu [ C15 H22 N2 O3, db=77.05, overall=38.53 ]", ""}}, 
   {196.1206, 4.620389, "Meta"} -> {{151077, 138216, 84329}, {"", ""}}, 
   {145.0523, 4.6313715, "Meta"} -> {{117961, 160777, 143050}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=73.77, overall=36.88, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {221.0685, 4.632059, "Meta"} -> 
    {{67063, 69715, 47818}, {"5-Carboxymethoxy-3,4-dihydrocarbostyril [ C11 \
H11 N O4, db=64.45, overall=32.22, KEGG ID=, CAS ID=58898-50-3 ]", 
      "58898-50-3"}}, {399.1795, 4.9157567, "Meta"} -> 
    {{36638, 1, 20789}, 
     {"Tyr Ala Phe [ C21 H25 N3 O5, db=71.49, overall=35.75 ]", ""}}, 
   {185.1049, 4.9669666, "Meta"} -> {{122848, 103041, 85096}, 
     {"Ecgonine [ C9 H15 N O3, db=77.31, overall=38.66, KEGG ID=, CAS \
ID=481-37-8 ]", "481-37-8"}}, {649.3074, 5.013072, "Meta"} -> 
    {{26125, 26312, 19282}, {"", ""}}, {278.163, 5.0759177, "Meta"} -> 
    {{217492, 190870, 149035}, 
     {"Phe Leu [ C15 H22 N2 O3, db=99.27, overall=49.64 ]", ""}}, 
   {535.2641, 5.1008615, "Meta"} -> {{94150, 80097, 62378}, {"", ""}}, 
   {904.4772, 5.3270283, "Meta"} -> {{1349229, 1267879, 924703}, {"", ""}}, 
   {145.0523, 5.4314723, "Meta"} -> {{154338, 184460, 169718}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=84.42, overall=42.21, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {129.0576, 5.434444, "Meta"} -> 
    {{425675, 428147, 378212}, {"", ""}}, {273.0317, 5.4347143, "Meta"} -> 
    {{60123, 32777, 24810}, {"", ""}}, {175.0629, 5.4345837, "Meta"} -> 
    {{685288, 421780, 273039}, {"3-Indoleacetic Acid [ C10 H9 N O2, db=84.76, \
overall=42.38, KEGG ID=C00954, CAS ID=87-51-4 ]", "87-51-4"}}, 
   {163.063, 5.4345, "Meta"} -> {{46090, 47656, 38860}, 
     {"p-Acetaminobenzaldehyde [ C9 H9 N O2, db=64.35, overall=32.17, KEGG \
ID=, CAS ID=122-85-0 ]", "122-85-0"}}, {317.1736, 5.4687505, "Meta"} -> 
    {{46144, 1, 1}, {"Leu Trp [ C17 H23 N3 O3, db=81.63, overall=40.81 ]", 
      ""}}, {780.393, 5.47776, "Meta"} -> {{22849, 19449, 15372}, 
     {"25-O-Desacetylrifampin [ C41 H56 N4 O11, db=84.35, overall=42.18, KEGG \
ID=, CAS ID=16783-99-6 ]", "16783-99-6"}}, {506.2009, 5.4841557, "Meta"} -> 
    {{32555, 29879, 1}, {"", ""}}, {351.1581, 5.5261106, "Meta"} -> 
    {{556042, 469288, 334694}, 
     {"Trp Phe [ C20 H21 N3 O3, db=99.58, overall=49.79 ]", ""}}, 
   {462.2364, 5.543243, "Meta"} -> {{18432, 21455, 1}, {"", ""}}, 
   {119.0735, 5.541345, "Meta"} -> {{186050, 166705, 1}, {"", ""}}, 
   {312.1467, 5.5432773, "Meta"} -> {{7277458, 6595186, 5060403}, 
     {"Phe Phe [ C18 H20 N2 O3, db=95.14, overall=47.57 ]", ""}}, 
   {112.0524, 5.5669603, "Meta"} -> {{89505, 81317, 55623}, 
     {"3,5-hexadienoic acid [ C6 H8 O2, db=60.24, overall=30.12, Lipid ID=, \
KEGG ID= ]", ""}}, {415.2207, 5.670666, "Meta"} -> 
    {{19397, 15267, 16400}, 
     {"Phe Leu His [ C21 H29 N5 O4, db=66.52, overall=33.26 ]", ""}}, 
   {145.0523, 5.7114286, "Meta"} -> {{46303, 50545, 36656}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=58.30, overall=29.15, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {470.2164, 5.740111, "Meta"} -> 
    {{60120, 63541, 45032}, {"", ""}}, {486.1287, 5.7655144, "Meta"} -> 
    {{155804, 109941, 81850}, {"", ""}}, {814.2692, 5.7653933, "Meta"} -> 
    {{188064, 130609, 86342}, {"", ""}}, {352.0723, 5.766555, "Meta"} -> 
    {{349626, 311526, 246238}, {"Griseofulvin [ C17 H17 Cl O6, db=62.45, \
overall=31.22, KEGG ID=C06686, CAS ID=126-07-8 ]", "126-07-8"}}, 
   {561.114, 5.765363, "Meta"} -> {{164682, 95101, 62702}, {"", ""}}, 
   {367.0347, 5.766611, "Meta"} -> {{484035, 308922, 233522}, 
     {"H 167/87 [ C17 H15 Cl2 N O4, db=30.19, overall=15.10, KEGG ID=, CAS \
ID=91854-01-2 ]", "91854-01-2"}}, {137.0587, 5.7666464, "Meta"} -> 
    {{330345, 321672, 236411}, {"Isoniazid [ C6 H7 N3 O, db=85.82, \
overall=42.91, KEGG ID=C07054, CAS ID=54-85-3 ]", "54-85-3"}}, 
   {680.2204, 5.7653627, "Meta"} -> {{105294, 98849, 81096}, {"", ""}}, 
   {194.0796, 5.7665, "Meta"} -> {{3.18*^7, 2.61*^7, 2.02*^7}, 
     {"D-Glucoside [ C7 H14 O6, db=97.63, overall=48.82, HMP ID=HMDB03570, \
KEGG ID= ]", ""}}, {292.0482, 5.7668047, "Meta"} -> 
    {{157718, 132188, 110897}, {"", ""}}, {427.0664, 5.7660594, "Meta"} -> 
    {{63205, 57105, 40330}, {"", ""}}, {308.021, 5.7663703, "Meta"} -> 
    {{97655, 55942, 44904}, {"", ""}}, {336.0987, 5.766, "Meta"} -> 
    {{58457, 53767, 35580}, {"", ""}}, {339.0394, 5.7657404, "Meta"} -> 
    {{58080, 37446, 31502}, {"", ""}}, {276.0943, 5.767443, "Meta"} -> 
    {{272695, 299281, 256545}, 
     {"Glu Glu [ C10 H16 N2 O7, db=91.86, overall=45.93 ]", ""}}, 
   {546.167, 5.766311, "Meta"} -> {{24932, 41967, 69951}, {"", ""}}, 
   {82.0146, 5.7676473, "Meta"} -> {{453507, 544797, 458894}, {"", ""}}, 
   {450.2112, 6.0146294, "Meta"} -> {{33012, 26463, 19651}, {"", ""}}, 
   {598.3831, 6.149971, "Meta"} -> {{112314, 84338, 82840}, {"", ""}}, 
   {210.1363, 6.1674, "Meta"} -> {{342161, 293425, 215756}, {"", ""}}, 
   {1076.5251, 6.1918607, "Meta"} -> {{666415, 603172, 457830}, {"", ""}}, 
   {285.1937, 6.2077217, "Meta"} -> {{139009, 159230, 129306}, {"", ""}}, 
   {413.1947, 6.402389, "Meta"} -> {{492514, 439271, 321346}, 
     {"Phe Phe Thr [ C22 H27 N3 O5, db=96.85, overall=48.42 ]", ""}}, 
   {210.1363, 6.4091425, "Meta"} -> {{192275, 207030, 152771}, {"", ""}}, 
   {171.1256, 6.4184237, "Meta"} -> {{383965, 1, 1}, 
     {"Gabapentin [ C9 H17 N O2, db=89.41, overall=44.71, KEGG ID=C07018, CAS \
ID=60142-96-3 ]", "60142-96-3"}}, {225.134, 6.4274607, "Meta"} -> 
    {{215736, 200580, 150655}, {"", ""}}, {464.2267, 6.4558063, "Meta"} -> 
    {{51552, 44505, 35256}, {"", ""}}, {636.2752, 6.4700866, "Meta"} -> 
    {{21077, 21825, 1}, 
     {" [ C34 H40 N2 O10, db=0.00, overall=30.97, mfg=61.94 ]", ""}}, 
   {401.8564, 6.4737997, "Meta"} -> {{80091, 87441, 75304}, {"", ""}}, 
   {1205.5684, 6.4744167, "Meta"} -> {{888948, 1190104, 937227}, {"", ""}}, 
   {650.291, 6.4855704, "Meta"} -> {{50510, 38762, 27160}, {"", ""}}, 
   {1072.4163, 6.52011, "Meta"} -> {{83487, 54725, 48367}, {"", ""}}, 
   {1019.5046, 6.519862, "Meta"} -> {{3064664, 2819729, 2119965}, {"", ""}}, 
   {339.8352, 6.519917, "Meta"} -> {{80575, 1, 55114}, {"", ""}}, 
   {370.2202, 6.5523853, "Meta"} -> {{25511, 17855, 1}, {"", ""}}, 
   {393.1896, 6.6016774, "Meta"} -> {{41200, 42525, 29904}, 
     {"Phe Leu Asp [ C19 H27 N3 O6, db=93.55, overall=46.78 ]", ""}}, 
   {1262.5898, 6.6459446, "Meta"} -> {{572062, 652651, 519791}, {"", ""}}, 
   {748.3746, 6.6664577, "Meta"} -> {{332017, 270096, 228414}, {"", ""}}, 
   {467.5117, 6.6833715, "Meta"} -> {{35666, 35847, 26229}, {"", ""}}, 
   {449.8743, 6.681861, "Meta"} -> {{103058, 135271, 108856}, {"", ""}}, 
   {1349.622, 6.682221, "Meta"} -> {{944271, 1160996, 869528}, {"", ""}}, 
   {462.5233, 6.6829696, "Meta"} -> {{55932, 60341, 50082}, {"", ""}}, 
   {467.8464, 6.68125, "Meta"} -> {{28676, 26057, 1}, {"", ""}}, 
   {457.2013, 6.682588, "Meta"} -> {{28117, 21283, 1}, {"", ""}}, 
   {1076.5258, 6.7304854, "Meta"} -> {{52414, 46694, 32158}, {"", ""}}, 
   {298.1418, 6.74896, "Meta"} -> {{85890, 98083, 59466}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=73.54, overall=36.77, \
KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {1200.5566, 6.7732415, "Meta"} -> {{26821, 25476, 16402}, {"", ""}}, 
   {741.297, 6.7771387, "Meta"} -> {{90252, 84186, 65464}, {"", ""}}, 
   {189.0785, 6.956638, "Meta"} -> {{799029, 581275, 386286}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=94.09, overall=47.05, HMP \
ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {429.2361, 6.977999, "Meta"} -> {{85678, 62375, 59958}, 
     {"Pro Trp Lys [ C22 H31 N5 O4, db=90.19, overall=45.09 ]", ""}}, 
   {260.0935, 7.0326056, "Meta"} -> {{100509, 39967, 53057}, 
     {"Furafylline [ C12 H12 N4 O3, db=57.24, overall=28.62, KEGG ID=, CAS \
ID=80288-49-9 ]", "80288-49-9"}}, {179.1517, 7.0339313, "Meta"} -> 
    {{52967, 1, 43939}, {"", ""}}, {162.1254, 7.032972, "Meta"} -> 
    {{1914471, 858909, 1290412}, {"", ""}}, {386.884, 7.089772, "Meta"} -> 
    {{118607, 37689, 69949}, {"", ""}}, {339.9438, 7.090166, "Meta"} -> 
    {{148210, 74368, 112791}, {"", ""}}, {165.9783, 7.0914993, "Meta"} -> 
    {{113666, 1, 1}, {"", ""}}, {324.978, 7.0900297, "Meta"} -> 
    {{30692, 1, 27155}, {"", ""}}, {389.8912, 7.089734, "Meta"} -> 
    {{49336, 1, 26448}, {"", ""}}, {554.8763, 7.0902586, "Meta"} -> 
    {{480661, 113387, 275255}, {"", ""}}, {590.8546, 7.090121, "Meta"} -> 
    {{238033, 1, 70938}, {"", ""}}, {166.9861, 7.0904727, "Meta"} -> 
    {{3779080, 1943098, 3499569}, {"", ""}}, {280.9265, 7.090501, "Meta"} -> 
    {{157814, 68693, 102630}, {"", ""}}, {264.9547, 7.0911846, "Meta"} -> 
    {{21633, 1, 1}, {"", ""}}, {395.8936, 7.0915, "Meta"} -> 
    {{61411, 42116, 58439}, {"", ""}}, {431.8628, 7.0915837, "Meta"} -> 
    {{40836, 1, 30865}, {"", ""}}, {624.9684, 7.1091247, "Meta"} -> 
    {{19326, 1, 1}, {"", ""}}, {534.1705, 7.1183324, "Meta"} -> 
    {{15573, 11568, 1}, {"", ""}}, {354.0646, 7.1213336, "Meta"} -> 
    {{69991, 59184, 46238}, {"", ""}}, {238.0838, 7.121195, "Meta"} -> 
    {{652636, 579498, 454707}, {"Propanoic acid, \
2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- [ C12 H14 O5, db=99.24, \
overall=49.62, KEGG ID=, CAS ID=53564-64-0 ]", "53564-64-0"}}, 
   {278.0763, 7.119251, "Meta"} -> {{342214, 304465, 215198}, {"", ""}}, 
   {351.0169, 7.127134, "Meta"} -> {{59139, 43314, 24499}, {"", ""}}, 
   {1560.7216, 7.157438, "Meta"} -> {{18444, 20517, 1}, {"", ""}}, 
   {941.4612, 7.1827216, "Meta"} -> {{286776, 257473, 173509}, {"", ""}}, 
   {299.2095, 7.264514, "Meta"} -> {{37699, 38545, 24299}, {"", ""}}, 
   {270.1572, 7.337296, "Meta"} -> {{47544, 1, 38003}, {"", ""}}, 
   {280.1885, 7.331959, "Meta"} -> {{106236, 150892, 119935}, {"", ""}}, 
   {361.1425, 7.353097, "Meta"} -> {{27523, 18487, 17340}, 
     {"N-Acetylnorfloxacin [ C18 H20 F N3 O4, db=74.33, overall=37.17, KEGG \
ID=, CAS ID=74011-56-6 ]", "74011-56-6"}}, {309.194, 7.3625283, "Meta"} -> 
    {{108888, 115325, 81685}, {"Nadolol [ C17 H27 N O4, db=98.01, \
overall=49.00, KEGG ID=C07249, CAS ID=42200-33-9 ]", "42200-33-9"}}, 
   {920.4221, 7.436666, "Meta"} -> {{134987, 171024, 114180}, {"", ""}}, 
   {287.2094, 7.4803905, "Meta"} -> {{79336, 97203, 68952}, 
     {"O-octanoyl-R-carnitine [ C15 H29 N O4, db=84.96, overall=42.48, Lipid \
ID=, KEGG ID=C02838 ]", ""}}, {206.1518, 7.485084, "Meta"} -> 
    {{84575, 1, 90294}, {"", ""}}, {174.0887, 7.533999, "Meta"} -> 
    {{548456, 340316, 393293}, {"2-Propylglutaric acid [ C8 H14 O4, db=96.02, \
overall=48.01, KEGG ID=, CAS ID=32806-62-5 ]", "32806-62-5"}}, 
   {142.0625, 7.5357056, "Meta"} -> {{118582, 88452, 1}, 
     {"7-hydroxy-5-heptynoic acid [ C7 H10 O3, db=91.50, overall=45.75, Lipid \
ID=, KEGG ID= ]", ""}}, {833.3582, 7.620576, "Meta"} -> 
    {{238326, 216653, 157199}, {"", ""}}, {182.0914, 7.628904, "Meta"} -> 
    {{113347, 1, 77978}, {"Dacarbazine [ C6 H10 N6 O, db=63.87, \
overall=31.94, KEGG ID=C06936, CAS ID=4342-03-4 ]", "3/4/42"}}, 
   {1389.6527, 7.619026, "Meta"} -> {{117486, 150418, 102885}, {"", ""}}, 
   {170.1415, 7.7676864, "Meta"} -> {{63613, 57599, 44360}, {"", ""}}, 
   {1193.519, 7.7542224, "Meta"} -> {{28126, 104778, 79868}, {"", ""}}, 
   {318.1216, 7.8365397, "Meta"} -> {{20977, 126513, 113930}, 
     {"Fluvoxamine acid [ C14 H17 F3 N2 O3, db=57.11, overall=28.55, KEGG \
ID=, CAS ID=84692-89-7 ]", "84692-89-7"}}, {432.8377, 7.851473, "Meta"} -> 
    {{55525, 35945, 25880}, {"", ""}}, {433.1729, 7.8523235, "Meta"} -> 
    {{40063, 31334, 1}, {"", ""}}, {1245.5992, 7.851389, "Meta"} -> 
    {{2250344, 2313660, 1587662}, {"", ""}}, {415.2002, 7.8513994, "Meta"} -> 
    {{203604, 192678, 103239}, {"", ""}}, {428.1836, 7.8517575, "Meta"} -> 
    {{46999, 52798, 32190}, 
     {"Ser Trp His [ C20 H24 N6 O5, db=49.60, overall=24.80 ]", ""}}, 
   {1298.5118, 7.8517423, "Meta"} -> {{91425, 89099, 55302}, {"", ""}}, 
   {863.401, 7.871555, "Meta"} -> {{519744, 570439, 339843}, {"", ""}}, 
   {916.3146, 7.8727407, "Meta"} -> {{65075, 47348, 34508}, {"", ""}}, 
   {189.0785, 7.8873053, "Meta"} -> {{81652, 34820, 46349}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=68.09, overall=34.05, HMP \
ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {185.1414, 7.8914566, "Meta"} -> {{207297, 224611, 123347}, 
     {"N-methyl-Gabapentin [ C10 H19 N O2, db=74.42, overall=37.21, KEGG ID=, \
CAS ID=102937-74-6 ]", "102937-74-6"}}, {208.0732, 8.064808, "Meta"} -> 
    {{115215, 97647, 66361}, {"2,5-Dimethoxycinnamic acid [ C11 H12 O4, \
db=79.88, overall=39.94, HMP ID=HMDB02370, KEGG ID= ]", ""}}, 
   {318.1217, 8.112399, "Meta"} -> {{26894, 132622, 128416}, 
     {"Fluvoxamine acid [ C14 H17 F3 N2 O3, db=51.04, overall=25.52, KEGG \
ID=, CAS ID=84692-89-7 ]", "84692-89-7"}}, {186.1189, 8.142306, "Meta"} -> 
    {{122129, 154929, 190984}, {"", ""}}, {415.3079, 8.180323, "Meta"} -> 
    {{25144, 22922, 15526}, {"", ""}}, {301.2252, 8.18464, "Meta"} -> 
    {{149723, 133952, 104204}, {"", ""}}, {210.0888, 8.229969, "Meta"} -> 
    {{92036, 92388, 49515}, {"Methoxyhydroxymethylhydrocinnamic acid [ C11 \
H14 O4, db=76.31, overall=38.15, KEGG ID=, CAS ID=53832-93-2 ]", 
      "53832-93-2"}}, {619.2852, 8.249543, "Meta"} -> 
    {{35706, 31986, 19101}, 
     {" [ C34 H41 N3 O8, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {301.2252, 8.364499, "Meta"} -> {{58485, 67715, 1}, {"", ""}}, 
   {224.1042, 8.49708, "Meta"} -> {{53281, 1, 33273}, {"", ""}}, 
   {222.0865, 8.595155, "Meta"} -> {{119838, 103677, 70659}, {"", ""}}, 
   {538.2428, 8.63658, "Meta"} -> {{22044, 20819, 12896}, {"", ""}}, 
   {289.1346, 8.648037, "Meta"} -> {{81068, 56384, 81791}, {"", ""}}, 
   {332.1369, 8.648942, "Meta"} -> {{311054, 330588, 183455}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=83.61, \
overall=41.80, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {247.1604, 8.659072, "Meta"} -> {{132189, 117302, 1}, {"", ""}}, 
   {1395.5562, 8.677833, "Meta"} -> {{751947, 1566799, 812886}, {"", ""}}, 
   {1237.4865, 8.679944, "Meta"} -> {{275206, 634882, 363305}, {"", ""}}, 
   {1290.4019, 8.679688, "Meta"} -> {{35967, 1, 1}, {"", ""}}, 
   {1059.5352, 8.717444, "Meta"} -> {{256501, 172387, 79920}, {"", ""}}, 
   {201.1364, 8.713065, "Meta"} -> {{97973, 75941, 71649}, 
     {"Capryloylglycine [ C10 H19 N O3, db=67.21, overall=33.61, HMP \
ID=HMDB00832, KEGG ID= ]", ""}}, {302.1881, 8.721181, "Meta"} -> 
    {{91240, 79126, 57026}, {"2-Methoxyestradiol [ C19 H26 O3, db=78.62, \
overall=39.31, HMP ID=HMDB00405, KEGG ID= ]", ""}}, 
   {496.2306, 8.726456, "Meta"} -> {{123120, 97896, 68465}, {"", ""}}, 
   {594.2002, 8.727458, "Meta"} -> {{27838, 23245, 15592}, {"", ""}}, 
   {332.1369, 8.780612, "Meta"} -> {{644519, 982087, 835545}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=85.03, \
overall=42.52, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {430.1107, 8.796733, "Meta"} -> {{52725, 78101, 51327}, {"", ""}}, 
   {300.1108, 8.80197, "Meta"} -> {{223511, 342171, 217503}, {"", ""}}, 
   {313.2252, 8.7906, "Meta"} -> {{100641, 93681, 29646}, {"", ""}}, 
   {286.2617, 8.82916, "Meta"} -> {{45466, 42869, 44418}, {"", ""}}, 
   {346.1526, 8.849605, "Meta"} -> {{50183, 71777, 56015}, {"", ""}}, 
   {215.1519, 8.867749, "Meta"} -> {{139025, 123684, 127072}, {"", ""}}, 
   {224.1021, 8.969444, "Meta"} -> {{76255, 53639, 43277}, {"", ""}}, 
   {223.1208, 8.969972, "Meta"} -> {{46053, 39542, 32156}, 
     {"Rimiterol [ C12 H17 N O3, db=47.61, overall=23.81, KEGG ID=, CAS \
ID=32953-89-2 ]", "32953-89-2"}}, {196.1092, 8.977416, "Meta"} -> 
    {{35293, 28669, 1}, {"Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- [ C11 \
H16 O3, db=59.23, overall=29.61, KEGG ID=, CAS ID=64111-04-2 ]", 
      "64111-04-2"}}, {253.165, 9.127285, "Meta"} -> 
    {{243386, 226930, 202220}, {"", ""}}, {199.157, 9.126751, "Meta"} -> 
    {{597925, 557126, 583869}, {"", ""}}, {1089.4962, 9.145666, "Meta"} -> 
    {{224315, 322612, 182555}, {"", ""}}, {346.1526, 9.17123, "Meta"} -> 
    {{35864, 66112, 38598}, {"", ""}}, {181.1102, 9.210125, "Meta"} -> 
    {{107972, 105662, 63456}, {"2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- \
Metabolite [ C10 H15 N O2, db=76.98, overall=38.49, KEGG ID=, CAS ID= ]", 
      ""}}, {382.2563, 9.247962, "Meta"} -> {{205373, 189100, 1}, 
     {"C17 Sphingosine-1-phosphate [ C17 H39 N2 O5 P, db=59.88, \
overall=29.94, Lipid ID=LMSP01040004, KEGG ID= ]", ""}}, 
   {592.3259, 9.304143, "Meta"} -> {{18941, 18410, 1}, {"", ""}}, 
   {298.1321, 9.309667, "Meta"} -> {{80005, 202699, 107836}, {"", ""}}, 
   {411.1791, 9.316696, "Meta"} -> {{63602, 191607, 132106}, 
     {"Tyr Val Met [ C19 H29 N3 O5 S, db=58.11, overall=29.06 ]", ""}}, 
   {332.1369, 9.345439, "Meta"} -> {{33131, 57473, 72408}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=61.66, \
overall=30.83, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {189.1184, 9.360473, "Meta"} -> {{102788, 449829, 645457}, {"", ""}}, 
   {211.1571, 9.3698, "Meta"} -> {{66883, 47949, 60137}, {"", ""}}, 
   {196.1076, 9.373194, "Meta"} -> {{111246, 98067, 77177}, {"", ""}}, 
   {343.2259, 9.375806, "Meta"} -> {{38521, 45950, 27176}, 
     {"dibucaine [ C20 H29 N3 O2, db=78.46, overall=39.23, KEGG ID=, CAS \
ID=85-79-0 ]", "85-79-0"}}, {594.3415, 9.429972, "Meta"} -> 
    {{108799, 103024, 78743}, {"L-Urobilin [ C33 H46 N4 O6, db=97.19, \
overall=48.59, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {202.1203, 9.477693, "Meta"} -> {{115091, 1, 50690}, 
     {"sebacic acid [ C10 H18 O4, db=70.07, overall=35.04, KEGG ID=C08277, \
CAS ID=111-20-6 ]", "111-20-6"}}, {254.1153, 9.500695, "Meta"} -> 
    {{131302, 101471, 91585}, {"methyl \
4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ C13 H18 O5, \
db=77.56, overall=38.78, Lipid ID=, KEGG ID= ]", ""}}, 
   {640.2432, 9.499125, "Meta"} -> {{23520, 18101, 1}, 
     {"5-Methyltetrahydropteroyltri-L-glutamate [ C25 H36 N8 O12, db=61.28, \
overall=30.64, KEGG ID=C04489, CAS ID= ]", ""}}, 
   {564.2544, 9.498889, "Meta"} -> {{72713, 55748, 37195}, {"", ""}}, 
   {330.2192, 9.5008, "Meta"} -> {{37963, 30885, 1}, 
     {"Gestodene metabolite 2 [ C21 H30 O3, db=68.18, overall=34.09, KEGG \
ID=, CAS ID= ]", ""}}, {262.12, 9.519543, "Meta"} -> 
    {{128204, 76603, 57597}, {"Artemisin [ C15 H18 O4, db=68.17, \
overall=34.08, Lipid ID=LMPR01030020, KEGG ID=C09344 ]", ""}}, 
   {264.1357, 9.516806, "Meta"} -> {{369884, 200780, 155239}, {"", ""}}, 
   {327.2406, 9.530406, "Meta"} -> {{69362, 81918, 66061}, {"", ""}}, 
   {463.184, 9.53997, "Meta"} -> {{92252, 67148, 50452}, 
     {"Ritodrine glucuronide [ C23 H29 N O9, db=95.20, overall=47.60, KEGG \
ID=, CAS ID=129464-58-0 ]", "129464-58-0"}}, {273.1762, 9.569387, "Meta"} -> 
    {{112530, 108708, 78419}, {"", ""}}, {327.2405, 9.610461, "Meta"} -> 
    {{93391, 90217, 61885}, {"", ""}}, {273.1762, 9.6855, "Meta"} -> 
    {{149539, 137729, 100616}, {"", ""}}, {360.1935, 9.683611, "Meta"} -> 
    {{80290, 54758, 41089}, {"Aldosterone [ C21 H28 O5, db=80.00, \
overall=40.00, KEGG ID=, CAS ID=52-39-1 ]", "52-39-1"}}, 
   {238.1201, 9.702206, "Meta"} -> {{80156, 144562, 128579}, {"", ""}}, 
   {520.202, 9.758688, "Meta"} -> {{20532, 15375, 1}, {"", ""}}, 
   {422.2412, 9.75828, "Meta"} -> {{175336, 147074, 105580}, {"", ""}}, 
   {362.2091, 9.759223, "Meta"} -> {{475790, 423455, 300735}, 
     {"20alpha-Dihydroprednisolone [ C21 H30 O5, db=80.45, overall=40.22, \
KEGG ID=, CAS ID=15847-24-2 ]", "15847-24-2"}}, 
   {346.214, 9.791315, "Meta"} -> {{37168, 26201, 18800}, 
     {"Corticosterone [ C21 H30 O4, db=61.19, overall=30.59, HMP \
ID=HMDB01547, KEGG ID= ]", ""}}, {638.2274, 9.789353, "Meta"} -> 
    {{23457, 23521, 1}, {"", ""}}, {346.1525, 9.793889, "Meta"} -> 
    {{273040, 356931, 245831}, {"", ""}}, {562.2387, 9.788788, "Meta"} -> 
    {{61065, 63041, 45054}, {"", ""}}, {557.2833, 9.790912, "Meta"} -> 
    {{20814, 18655, 1}, {"", ""}}, {510.2462, 9.815877, "Meta"} -> 
    {{52830, 39473, 28925}, {"", ""}}, {229.1674, 9.85191, "Meta"} -> 
    {{62126, 48341, 1}, {"", ""}}, {548.2599, 9.858362, "Meta"} -> 
    {{31870, 23645, 17579}, {"", ""}}, {504.2344, 9.858466, "Meta"} -> 
    {{34298, 31489, 23671}, {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 \
O9, db=72.48, overall=36.24, KEGG ID=, CAS ID= ]", ""}}, 
   {470.3088, 9.879321, "Meta"} -> {{155475, 148933, 104845}, {"", ""}}, 
   {550.2021, 9.877315, "Meta"} -> {{26631, 20905, 15367}, {"", ""}}, 
   {346.1525, 9.904173, "Meta"} -> {{209533, 320629, 219920}, {"", ""}}, 
   {238.0238, 9.941334, "Meta"} -> {{51484, 39372, 50914}, {"", ""}}, 
   {396.272, 9.949917, "Meta"} -> {{128819, 145217, 99867}, {"", ""}}, 
   {352.1786, 9.951111, "Meta"} -> {{104326, 84139, 56280}, {"", ""}}, 
   {244.0709, 9.960057, "Meta"} -> {{73613, 63907, 82054}, 
     {"Uridine [ C9 H12 N2 O6, db=67.18, overall=33.59, KEGG ID=C00299, CAS \
ID=58-96-8 ]", "58-96-8"}}, {238.1185, 9.979892, "Meta"} -> 
    {{63502, 43723, 46412}, {"", ""}}, {330.1981, 9.977964, "Meta"} -> 
    {{184362, 102872, 98423}, 
     {"Val Arg Gly [ C13 H26 N6 O4, db=57.73, overall=28.86 ]", ""}}, 
   {284.0936, 9.975928, "Meta"} -> {{21959, 18427, 11935}, {"", ""}}, 
   {463.2106, 10.027572, "Meta"} -> {{20768, 16295, 10850}, {"", ""}}, 
   {314.1266, 10.0307455, "Meta"} -> {{225130, 285321, 191491}, {"", ""}}, 
   {314.2933, 10.043069, "Meta"} -> {{59079, 46828, 50096}, {"", ""}}, 
   {285.1574, 10.05632, "Meta"} -> {{22498, 1, 1}, {"6,7-Dimethyltetrahydropt\
erin [ C15 H19 N5 O, db=55.04, overall=27.52, HMP ID=HMDB02397, KEGG ID= ]", 
      ""}}, {300.1323, 10.061844, "Meta"} -> {{47900, 131070, 42801}, 
     {"8-Hydroxypromazine [ C17 H20 N2 O S, db=45.98, overall=22.99, KEGG \
ID=, CAS ID=130349-17-6 ]", "130349-17-6"}}, {356.0424, 10.055119, "Meta"} -> 
    {{140381, 88251, 66840}, {"", ""}}, {758.2462, 10.054517, "Meta"} -> 
    {{257708, 201357, 114267}, {"", ""}}, {524.1633, 10.055028, "Meta"} -> 
    {{69463, 57978, 44063}, {"", ""}}, {338.0701, 10.055571, "Meta"} -> 
    {{447297, 351632, 284590}, 
     {"Asn Cys Cys [ C10 H18 N4 O5 S2, db=69.48, overall=34.74 ]", ""}}, 
   {240.0997, 10.05514, "Meta"} -> {{6311486, 5065297, 3733509}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=99.31, overall=49.66, KEGG ID=, CAS ID=56392-15-5 ]", "56392-15-5"}}, 
   {180.0783, 10.055166, "Meta"} -> {{625048, 561211, 417837}, 
     {"o-Methoxyhydrocinnamic acid [ C10 H12 O3, db=99.04, overall=49.52, \
KEGG ID=, CAS ID= ]", ""}}, {222.0891, 10.055057, "Meta"} -> 
    {{3253210, 2803639, 2123237}, {"2E,4E,8E,10E-Dodecatetraenedioic acid [ \
C12 H14 O4, db=99.63, overall=49.81, Lipid ID=, KEGG ID= ]", ""}}, 
   {773.212, 10.0548, "Meta"} -> {{89953, 69651, 38262}, {"", ""}}, 
   {428.1355, 10.05561, "Meta"} -> {{34905, 49060, 39146}, {"", ""}}, 
   {284.0629, 10.055297, "Meta"} -> {{35399, 1, 22963}, {"", ""}}, 
   {370.0939, 10.056542, "Meta"} -> {{39802, 32228, 26068}, {"", ""}}, 
   {518.1473, 10.055831, "Meta"} -> {{244788, 170565, 35848}, {"", ""}}, 
   {353.0342, 10.055324, "Meta"} -> {{254958, 175332, 139536}, {"", ""}}, 
   {413.0684, 10.055799, "Meta"} -> {{111496, 96654, 78561}, {"", ""}}, 
   {254.1151, 10.055778, "Meta"} -> {{160073, 139524, 117839}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=92.65, overall=46.32, Lipid ID=, KEGG ID= ]", ""}}, 
   {382.1291, 10.055561, "Meta"} -> {{47249, 46747, 40225}, 
     {"Asn Phe Cys [ C16 H22 N4 O5 S, db=52.83, overall=26.41 ]", ""}}, 
   {270.1108, 10.057515, "Meta"} -> {{299916, 315104, 271877}, 
     {"Idebenone Metabolite (Benzenebutanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C13 H18 O6, db=87.10, overall=43.55, \
KEGG ID=, CAS ID=95233-52-6 ]", "95233-52-6"}}, 
   {238.0837, 10.05803, "Meta"} -> {{64534, 73482, 70113}, 
     {"Propanoic acid, 2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- [ C12 H14 O5, \
db=79.56, overall=39.78, KEGG ID=, CAS ID=53564-64-0 ]", "53564-64-0"}}, 
   {329.2564, 10.071557, "Meta"} -> {{166650, 161753, 112771}, {"", ""}}, 
   {298.1417, 10.074715, "Meta"} -> {{209743, 91966, 131043}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=61.89, overall=30.94, \
KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {267.1807, 10.080885, "Meta"} -> {{64979, 67279, 1}, 
     {"Metoprolol [ C15 H25 N O3, db=55.81, overall=27.91, KEGG ID=C07202, \
CAS ID=51384-51-1 ]", "51384-51-1"}}, {213.1727, 10.082888, "Meta"} -> 
    {{113327, 160027, 146117}, {"", ""}}, {280.1306, 10.084135, "Meta"} -> 
    {{45633, 32654, 29924}, {"Betaxolol(deaminated) [ C15 H20 O5, db=67.92, \
overall=33.96, KEGG ID=, CAS ID=87549-34-6 ]", "87549-34-6"}}, 
   {324.0999, 10.10015, "Meta"} -> {{69428, 48829, 42266}, 
     {"7-Hydroxywarfarin [ C19 H16 O5, db=62.79, overall=31.40, KEGG ID=, CAS \
ID=17834-03-6 ]", "17834-03-6"}}, {542.2723, 10.113879, "Meta"} -> 
    {{14935, 15104, 1}, {"", ""}}, {226.1503, 10.1374, "Meta"} -> 
    {{27335, 30201, 18425}, {"", ""}}, {564.2545, 10.16625, "Meta"} -> 
    {{31627, 29270, 14948}, {"", ""}}, {157.1461, 10.186832, "Meta"} -> 
    {{222716, 310338, 286862}, {"", ""}}, {776.6856, 10.190693, "Meta"} -> 
    {{148824, 123369, 81459}, {"Thyroxine [ C15 H11 I4 N O4, db=98.31, \
overall=49.15, KEGG ID=C08212, CAS ID=51-48-9 ]", "51-48-9"}}, 
   {275.1915, 10.220444, "Meta"} -> {{314064, 287769, 208333}, {"", ""}}, 
   {258.165, 10.220358, "Meta"} -> {{27895, 28844, 20065}, {"", ""}}, 
   {250.1179, 10.22413, "Meta"} -> {{27259, 20971, 1}, {"", ""}}, 
   {210.123, 10.228934, "Meta"} -> {{192830, 131164, 92511}, {"", ""}}, 
   {346.1381, 10.229135, "Meta"} -> {{38091, 27111, 23729}, {"", ""}}, 
   {286.1097, 10.229067, "Meta"} -> {{34149, 28495, 21940}, 
     {"His Met [ C11 H18 N4 O3 S, db=62.46, overall=31.23 ]", ""}}, 
   {438.1865, 10.251937, "Meta"} -> {{25011, 21117, 13454}, 
     {"Phe Ser Trp [ C23 H26 N4 O5, db=47.42, overall=23.71 ]", ""}}, 
   {254.1509, 10.254307, "Meta"} -> {{71485, 27262, 1}, {"", ""}}, 
   {222.1614, 10.2523, "Meta"} -> {{37329, 1, 1}, {"", ""}}, 
   {272.162, 10.262467, "Meta"} -> {{74089, 1, 1}, {"", ""}}, 
   {324.0948, 10.281, "Meta"} -> {{48643, 46475, 29720}, {"", ""}}, 
   {166.0989, 10.282687, "Meta"} -> {{77889, 64652, 38078}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=46.36, overall=23.18, Lipid \
ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, {615.2453, 10.311601, "Meta"} -> 
    {{67200, 1, 1}, {"", ""}}, {582.2476, 10.3178005, "Meta"} -> 
    {{519185, 662373, 448754}, {"Biliverdin IX [ C33 H34 N4 O6, db=70.82, \
overall=35.41, HMP ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", 
      " 114-25-0"}}, {612.2579, 10.319498, "Meta"} -> 
    {{104744, 71036, 44590}, {"", ""}}, {598.2435, 10.3203745, "Meta"} -> 
    {{81742, 52742, 34126}, {"", ""}}, {580.2318, 10.321624, "Meta"} -> 
    {{153613, 104285, 73370}, {"", ""}}, {302.1078, 10.325857, "Meta"} -> 
    {{64651, 52354, 37981}, {"", ""}}, {299.1918, 10.32961, "Meta"} -> 
    {{375112, 359531, 260186}, {"", ""}}, {144.1147, 10.324371, "Meta"} -> 
    {{96636, 77043, 65373}, {"\207-ethyl caproic acid [ C8 H16 O2, db=81.51, \
overall=40.75, KEGG ID=, CAS ID= ]", ""}}, {489.1998, 10.348856, "Meta"} -> 
    {{32770, 36842, 17140}, {"Terbinafine metabolite glucuronide [ C25 H31 N \
O9, db=76.80, overall=38.40, KEGG ID=, CAS ID= ]", ""}}, 
   {264.0959, 10.353962, "Meta"} -> {{51951, 1, 46374}, {"", ""}}, 
   {319.0784, 10.364562, "Meta"} -> {{43237, 153433, 140952}, {"", ""}}, 
   {453.2262, 10.414259, "Meta"} -> {{63312, 50863, 26970}, {"", ""}}, 
   {252.134, 10.437142, "Meta"} -> {{57762, 45277, 33742}, {"", ""}}, 
   {343.2186, 10.472101, "Meta"} -> {{49029, 42189, 41046}, {"", ""}}, 
   {632.2476, 10.46173, "Meta"} -> {{15088, 1, 1}, {"", ""}}, 
   {314.1266, 10.46791, "Meta"} -> {{48669, 126215, 89382}, {"", ""}}, 
   {245.145, 10.478071, "Meta"} -> {{128031, 74529, 83197}, {"", ""}}, 
   {690.4105, 10.481418, "Meta"} -> {{53564, 41183, 23152}, {"", ""}}, 
   {492.2092, 10.482031, "Meta"} -> {{74399, 68162, 48223}, {"", ""}}, 
   {416.2284, 10.482223, "Meta"} -> {{233553, 228715, 184594}, 
     {"Ramipril [ C23 H32 N2 O5, db=71.08, overall=35.54, KEGG ID=C07232, CAS \
ID=87333-19-5 ]", "87333-19-5"}}, {356.1961, 10.4823885, "Meta"} -> 
    {{427361, 304492, 226028}, {"", ""}}, {316.2036, 10.483486, "Meta"} -> 
    {{124519, 116108, 86885}, {"Acitretin Ro 23-4293 [ C20 H28 O3, db=83.16, \
overall=41.58, KEGG ID=, CAS ID=121693-28-5 ]", "121693-28-5"}}, 
   {319.218, 10.518692, "Meta"} -> {{37223, 40808, 1}, {"", ""}}, 
   {250.118, 10.512572, "Meta"} -> {{78436, 67426, 37320}, {"", ""}}, 
   {205.1132, 10.609686, "Meta"} -> {{99214, 109828, 81328}, {"", ""}}, 
   {218.0879, 10.616875, "Meta"} -> {{66581, 51377, 86863}, {"", ""}}, 
   {254.1511, 10.619676, "Meta"} -> {{55800, 61584, 44788}, {"", ""}}, 
   {243.1831, 10.626083, "Meta"} -> {{329208, 191159, 215984}, {"", ""}}, 
   {225.1725, 10.6266775, "Meta"} -> {{62212, 35706, 43991}, {"", ""}}, 
   {385.2821, 10.648808, "Meta"} -> {{13751, 15157, 1}, {"", ""}}, 
   {602.2044, 10.638667, "Meta"} -> {{14233, 22227, 16828}, {"", ""}}, 
   {545.3771, 10.661119, "Meta"} -> {{88335, 84663, 1}, {"", ""}}, 
   {325.2075, 10.677681, "Meta"} -> {{29712, 26557, 22862}, {"", ""}}, 
   {173.1233, 10.677229, "Meta"} -> {{183197, 587433, 530097}, {"", ""}}, 
   {171.1619, 10.675749, "Meta"} -> {{80063, 94551, 136120}, {"", ""}}, 
   {301.2074, 10.694365, "Meta"} -> {{146010, 1, 102959}, {"", ""}}, 
   {286.1105, 10.689359, "Meta"} -> {{43225, 33101, 30331}, 
     {"Hydroxymelphalan [ C13 H19 Cl N2 O3, db=66.75, overall=33.38, KEGG \
ID=, CAS ID=61733-01-5 ]", "61733-01-5"}}, {346.1349, 10.691233, "Meta"} -> 
    {{45771, 38698, 28043}, {"", ""}}, {343.2722, 10.704386, "Meta"} -> 
    {{64146, 67634, 50576}, {"Dodecanoylcarnitine [ C19 H37 N O4, db=90.71, \
overall=45.36, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {302.1125, 10.712086, "Meta"} -> {{25010, 22025, 22217}, {"", ""}}, 
   {340.1257, 10.728134, "Meta"} -> {{31966, 27056, 1}, {"", ""}}, 
   {242.1516, 10.728, "Meta"} -> {{239155, 210524, 150109}, {"", ""}}, 
   {400.1631, 10.728265, "Meta"} -> {{26206, 33220, 26028}, 
     {"N-AcetylCilastatin [ C18 H28 N2 O6 S, db=63.48, overall=31.74, KEGG \
ID=, CAS ID=94388-32-6 ]", "94388-32-6"}}, {331.2723, 10.732485, "Meta"} -> 
    {{57915, 55056, 50448}, {"", ""}}, {252.1335, 10.748029, "Meta"} -> 
    {{90435, 79215, 51991}, {"", ""}}, {212.1408, 10.760103, "Meta"} -> 
    {{49232, 47247, 29080}, {"12-oxo-10Z-dodecenoic acid [ C12 H20 O3, \
db=80.89, overall=40.45, Lipid ID=, KEGG ID= ]", ""}}, 
   {239.1884, 10.751323, "Meta"} -> {{62363, 1, 46565}, {"", ""}}, 
   {226.0562, 10.78225, "Meta"} -> {{55814, 48091, 49059}, {"", ""}}, 
   {367.2718, 10.79603, "Meta"} -> {{40079, 50485, 50290}, {"", ""}}, 
   {262.1177, 10.825701, "Meta"} -> {{46763, 40098, 25419}, {"", ""}}, 
   {343.2721, 10.835971, "Meta"} -> {{147511, 181530, 134370}, 
     {"Dodecanoylcarnitine [ C19 H37 N O4, db=97.12, overall=48.56, HMP \
ID=HMDB02250, KEGG ID= ]", ""}}, {227.1882, 10.834806, "Meta"} -> 
    {{493270, 369007, 388603}, {"", ""}}, {281.1964, 10.834471, "Meta"} -> 
    {{256409, 187304, 189819}, {"", ""}}, {589.4036, 10.839125, "Meta"} -> 
    {{85728, 80939, 63127}, {"", ""}}, {316.1647, 10.838167, "Meta"} -> 
    {{77846, 61314, 58627}, {"Gibberellin A9 [ C19 H24 O4, db=60.62, \
overall=30.31, Lipid ID=LMPR01040080, KEGG ID=C11863 ]", ""}}, 
   {594.3588, 10.837862, "Meta"} -> {{114121, 121530, 88367}, {"", ""}}, 
   {346.1531, 10.850415, "Meta"} -> {{29615, 38071, 41256}, {"", ""}}, 
   {360.1682, 10.850501, "Meta"} -> {{45797, 66647, 72312}, {"", ""}}, 
   {328.142, 10.851166, "Meta"} -> {{150013, 312288, 248812}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=71.54, overall=35.77 ]", ""}}, 
   {298.1327, 10.851243, "Meta"} -> {{50603, 56624, 29778}, {"", ""}}, 
   {355.272, 10.84606, "Meta"} -> {{260750, 264092, 197659}, {"", ""}}, 
   {383.288, 10.873963, "Meta"} -> {{62264, 61530, 44685}, {"", ""}}, 
   {388.2436, 10.871462, "Meta"} -> {{97023, 91565, 66465}, 
     {"Thr Ile Arg [ C16 H32 N6 O5, db=61.43, overall=30.71 ]", ""}}, 
   {284.1808, 10.88514, "Meta"} -> {{80506, 70331, 54248}, {"", ""}}, 
   {301.2077, 10.885583, "Meta"} -> {{2304849, 2194374, 1584317}, {"", ""}}, 
   {276.1936, 10.92211, "Meta"} -> {{168702, 154229, 161670}, {"", ""}}, 
   {342.3243, 10.933499, "Meta"} -> {{35831, 44761, 45098}, {"", ""}}, 
   {242.1516, 10.939269, "Meta"} -> {{109696, 88885, 1}, {"", ""}}, 
   {400.163, 10.940041, "Meta"} -> {{10443, 1, 1}, {"N-AcetylCilastatin [ C18 \
H28 N2 O6 S, db=61.45, overall=30.73, KEGG ID=, CAS ID=94388-32-6 ]", 
      "94388-32-6"}}, {287.2463, 10.968501, "Meta"} -> 
    {{101591, 81946, 36873}, {"", ""}}, {498.3417, 10.976148, "Meta"} -> 
    {{54101, 57803, 36564}, {"", ""}}, {381.2882, 10.990801, "Meta"} -> 
    {{27462, 23481, 14379}, {"5,6-DiHETrE-EA [ C22 H39 N O4, db=62.62, \
overall=31.31, Lipid ID=LMFA08040029, KEGG ID= ]", ""}}, 
   {431.2308, 10.993176, "Meta"} -> {{24021, 38461, 20623}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=63.44, overall=31.72 ]", ""}}, 
   {414.2039, 10.993806, "Meta"} -> {{132566, 226113, 132354}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=75.35, overall=37.67 ]", ""}}, 
   {616.403, 10.994139, "Meta"} -> {{137067, 130787, 83249}, {"", ""}}, 
   {633.4297, 10.99538, "Meta"} -> {{69800, 72313, 50871}, {"", ""}}, 
   {285.9721, 10.995276, "Meta"} -> {{32267, 1, 1}, {"", ""}}, 
   {249.1109, 11.002543, "Meta"} -> {{56461, 34080, 31678}, {"", ""}}, 
   {440.2017, 10.997424, "Meta"} -> {{48510, 35644, 29232}, 
     {"Phe Gln Phe [ C23 H28 N4 O5, db=38.67, overall=19.34 ]", ""}}, 
   {276.1334, 11.004139, "Meta"} -> {{67480, 59177, 42776}, 
     {"Saccharopine [ C11 H20 N2 O6, db=56.45, overall=28.23, KEGG ID=, CAS \
ID=997-68-2 ]", "997-68-2"}}, {465.3087, 11.014788, "Meta"} -> 
    {{58039, 47677, 36292}, {"Cholylglycine [ C26 H43 N O6, db=75.71, \
overall=37.85, KEGG ID=, CAS ID=475-31-0 ]", "475-31-0"}}, 
   {236.1403, 11.007713, "Meta"} -> {{127870, 108553, 80610}, {"", ""}}, 
   {345.2335, 11.036324, "Meta"} -> {{214874, 221019, 164784}, {"", ""}}, 
   {410.2874, 11.06508, "Meta"} -> {{98541, 90931, 68656}, {"", ""}}, 
   {402.2185, 11.074946, "Meta"} -> {{39335, 32986, 27448}, 
     {"Trandolaprilat [ C22 H30 N2 O5, db=47.66, overall=23.83, KEGG ID=, CAS \
ID=87679-71-8 ]", "87679-71-8"}}, {276.0972, 11.078914, "Meta"} -> 
    {{76073, 53621, 45883}, 
     {"Glu Glu [ C10 H16 N2 O7, db=71.47, overall=35.73 ]", ""}}, 
   {331.2721, 11.109583, "Meta"} -> {{103744, 98978, 93966}, {"", ""}}, 
   {402.1563, 11.114313, "Meta"} -> {{36024, 1, 21880}, {"", ""}}, 
   {321.215, 11.114806, "Meta"} -> {{376271, 158002, 272015}, {"", ""}}, 
   {304.1884, 11.114723, "Meta"} -> {{1201319, 483619, 761415}, {"", ""}}, 
   {224.0838, 11.132531, "Meta"} -> {{36215, 34632, 26909}, {"", ""}}, 
   {278.0912, 11.133195, "Meta"} -> {{42385, 41637, 1}, 
     {"Glu Met [ C10 H18 N2 O5 S, db=50.61, overall=25.31 ]", ""}}, 
   {327.223, 11.149416, "Meta"} -> {{256333, 242181, 170896}, 
     {"Levonorgestrel oxime [ C21 H29 N O2, db=60.97, overall=30.49, KEGG \
ID=, CAS ID=53016-31-2 ]", "53016-31-2"}}, {172.1474, 11.181901, "Meta"} -> 
    {{93736, 87480, 1}, {"3-methyl-nonanoic acid [ C10 H20 O2, db=48.71, \
overall=24.36, Lipid ID=, KEGG ID= ]", ""}}, {238.1544, 11.197818, "Meta"} -> 
    {{224807, 175453, 194802}, {"", ""}}, {265.0592, 11.2015, "Meta"} -> 
    {{105210, 66388, 137438}, {"", ""}}, {256.1671, 11.202999, "Meta"} -> 
    {{334310, 283675, 211866}, {"", ""}}, {331.272, 11.201206, "Meta"} -> 
    {{84578, 22371, 1}, {"", ""}}, {202.1566, 11.219847, "Meta"} -> 
    {{206930, 163823, 183314}, {"10-hydroxy-undecanoic acid [ C11 H22 O3, \
db=57.60, overall=28.80, Lipid ID=, KEGG ID= ]", ""}}, 
   {357.2877, 11.224555, "Meta"} -> {{345137, 329527, 231069}, {"", ""}}, 
   {287.2463, 11.230424, "Meta"} -> {{29150, 22895, 1}, {"", ""}}, 
   {286.196, 11.254839, "Meta"} -> {{32408, 32711, 18204}, 
     {"Androstenedione [ C19 H26 O2, db=51.24, overall=25.62, KEGG ID=C00280, \
CAS ID=63-05-8 ]", "63-05-8"}}, {306.1806, 11.240032, "Meta"} -> 
    {{58573, 53628, 32442}, {"Tetranor Iloprost [ C18 H26 O4, db=57.37, \
overall=28.69, KEGG ID=, CAS ID=93220-69-0 ]", "93220-69-0"}}, 
   {303.223, 11.255501, "Meta"} -> {{515757, 474497, 328033}, {"", ""}}, 
   {288.1332, 11.251001, "Meta"} -> {{44376, 49138, 27076}, 
     {"4-Methylumbelliferyl heptanoate [ C17 H20 O4, db=40.76, overall=20.38, \
KEGG ID=, CAS ID=18319-92-1 ]", "18319-92-1"}}, 
   {248.1406, 11.251324, "Meta"} -> {{20745, 16773, 14797}, 
     {"2,4-Pentadienoic acid, \
3-methyl-5-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)- [ C15 H20 O3, db=58.71, \
overall=29.36, KEGG ID=, CAS ID=126624-24-6 ]", "126624-24-6"}}, 
   {358.2326, 11.257731, "Meta"} -> {{76695, 1, 50719}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=70.59, overall=35.30 ]", ""}}, 
   {717.4275, 11.272499, "Meta"} -> {{79231, 91047, 59939}, {"", ""}}, 
   {587.1718, 11.289588, "Meta"} -> {{22262, 19885, 20081}, {"", ""}}, 
   {294.1107, 11.290332, "Meta"} -> {{23284, 33121, 26986}, {"", ""}}, 
   {1280.5605, 11.288729, "Meta"} -> {{29889, 14399, 14518}, {"", ""}}, 
   {452.1514, 11.289388, "Meta"} -> {{97689, 73038, 74634}, {"", ""}}, 
   {586.2752, 11.289446, "Meta"} -> {{61579, 99965, 87427}, {"", ""}}, 
   {527.1393, 11.289233, "Meta"} -> {{159251, 95688, 93010}, {"", ""}}, 
   {496.1945, 11.289706, "Meta"} -> {{35071, 26565, 25762}, 
     {"Trp Glu Tyr [ C25 H28 N4 O7, db=59.40, overall=29.70 ]", ""}}, 
   {845.4351, 11.289027, "Meta"} -> {{330123, 224998, 236964}, {"", ""}}, 
   {530.1451, 11.290032, "Meta"} -> {{82530, 55544, 43729}, 
     {"Ketoconazole [ C26 H28 Cl2 N4 O4, db=59.08, overall=29.54, KEGG \
ID=C07061, CAS ID=65277-42-1 ]", "65277-42-1"}}, 
   {531.2824, 11.290118, "Meta"} -> {{21859, 20730, 24786}, {"", ""}}, 
   {866.3558, 11.289026, "Meta"} -> {{109822, 61580, 68752}, {"", ""}}, 
   {876.3872, 11.289584, "Meta"} -> {{53209, 39490, 39811}, {"", ""}}, 
   {608.2851, 11.289752, "Meta"} -> {{24425, 21826, 16777}, 
     {" [ C34 H42 N O9, db=0.00, overall=41.18, mfg=82.37 ]", ""}}, 
   {445.2463, 11.290056, "Meta"} -> {{126066, 108785, 119564}, {"", ""}}, 
   {534.248, 11.289888, "Meta"} -> {{1057810, 947447, 1025357}, {"", ""}}, 
   {512.1748, 11.289804, "Meta"} -> {{312267, 242298, 232256}, {"", ""}}, 
   {485.2606, 11.290346, "Meta"} -> {{48112, 77746, 31401}, {"", ""}}, 
   {414.2037, 11.289584, "Meta"} -> {{1.37*^7, 1.07*^7, 1.06*^7}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=82.04, overall=41.02 ]", ""}}, 
   {280.131, 11.2896385, "Meta"} -> {{99654, 89938, 80947}, 
     {"Betaxolol(deaminated) [ C15 H20 O5, db=93.07, overall=46.54, KEGG ID=, \
CAS ID=87549-34-6 ]", "87549-34-6"}}, {431.2309, 11.289611, "Meta"} -> 
    {{4024044, 3256408, 3363243}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=83.76, overall=41.88 ]", ""}}, 
   {487.292, 11.2910595, "Meta"} -> {{44897, 30696, 15870}, {"", ""}}, 
   {544.1991, 11.289091, "Meta"} -> {{24201, 21037, 20466}, {"", ""}}, 
   {471.2445, 11.291112, "Meta"} -> {{29103, 28642, 29622}, {"", ""}}, 
   {459.2618, 11.289667, "Meta"} -> {{308834, 304324, 369188}, 
     {"Arg Val Trp [ C22 H33 N7 O4, db=83.80, overall=41.90 ]", ""}}, 
   {457.2271, 11.291111, "Meta"} -> {{128432, 92487, 89594}, {"", ""}}, 
   {493.246, 11.289943, "Meta"} -> {{34786, 27644, 28883}, 
     {"Epothilone A [ C26 H39 N O6 S, db=62.97, overall=31.48, Lipid \
ID=LMPK01000045, KEGG ID=C12153 ]", ""}}, {560.2447, 11.289834, "Meta"} -> 
    {{32853, 30941, 36333}, {"Chloramphenicol palmitate [ C27 H42 Cl2 N2 O6, \
db=50.93, overall=25.46, KEGG ID=C11726, CAS ID=530-43-8 ]", "530-43-8"}}, 
   {473.2773, 11.28986, "Meta"} -> {{72135, 84779, 92543}, 
     {"Leu Trp Arg [ C23 H35 N7 O4, db=65.72, overall=32.86 ]", ""}}, 
   {480.1932, 11.290501, "Meta"} -> {{74261, 50109, 43761}, {"", ""}}, 
   {440.2009, 11.290919, "Meta"} -> {{220017, 164812, 153986}, 
     {"punaglandin 8 [ C23 H33 Cl O6, db=31.94, overall=15.97, Lipid \
ID=LMFA03120045, KEGG ID= ]", ""}}, {749.4477, 11.296001, "Meta"} -> 
    {{19544, 17858, 16105}, {"", ""}}, {455.3245, 11.3231, "Meta"} -> 
    {{32945, 1, 24143}, {"", ""}}, {369.2876, 11.339501, "Meta"} -> 
    {{112613, 142598, 106473}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, \
db=97.62, overall=48.81, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {226.1929, 11.347332, "Meta"} -> {{79000, 147141, 131073}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=85.58, overall=42.79, \
KEGG ID=, CAS ID= ]", ""}}, {336.1572, 11.353258, "Meta"} -> 
    {{247631, 212664, 123015}, {"", ""}}, {243.2196, 11.351666, "Meta"} -> 
    {{41583, 48068, 39308}, {"2-amino-tetradecanoic acid [ C14 H29 N O2, \
db=77.47, overall=38.74, Lipid ID=, KEGG ID= ]", ""}}, 
   {256.1672, 11.371285, "Meta"} -> {{171700, 168573, 139561}, {"", ""}}, 
   {285.1361, 11.375806, "Meta"} -> {{309291, 62112, 47650}, 
     {"Morphine [ C17 H19 N O3, db=95.72, overall=47.86, KEGG ID=C01516, CAS \
ID=57-27-2 ]", "57-27-2"}}, {282.1465, 11.395613, "Meta"} -> 
    {{141369, 129264, 95743}, {"Artemisinin [ C15 H22 O5, db=88.47, \
overall=44.23, KEGG ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {208.1094, 11.39564, "Meta"} -> {{250628, 193533, 152277}, 
     {"1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo- [ C12 H16 O3, \
db=81.98, overall=40.99, KEGG ID=, CAS ID=28043-09-6 ]", "28043-09-6"}}, 
   {250.1206, 11.395556, "Meta"} -> {{1634691, 1382338, 1088395}, 
     {"Ubiquinone [ C14 H18 O4, db=99.59, overall=49.80, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {366.1019, 11.395695, "Meta"} -> 
    {{256533, 209826, 166706}, 
     {"Cys Asn Met [ C12 H22 N4 O5 S2, db=72.32, overall=36.16 ]", ""}}, 
   {381.0665, 11.395805, "Meta"} -> {{114784, 72132, 53177}, {"", ""}}, 
   {268.131, 11.395668, "Meta"} -> {{3189534, 2558025, 1926595}, {"", ""}}, 
   {842.34, 11.395239, "Meta"} -> {{56696, 1, 1}, {"", ""}}, 
   {589.1759, 11.39528, "Meta"} -> {{26925, 17581, 8393}, {"", ""}}, 
   {384.0751, 11.395806, "Meta"} -> {{89098, 56407, 42027}, {"", ""}}, 
   {649.2068, 11.395183, "Meta"} -> {{41867, 32620, 20831}, {"", ""}}, 
   {504.2696, 11.396668, "Meta"} -> {{88671, 56643, 33071}, {"", ""}}, 
   {312.0943, 11.396322, "Meta"} -> {{24266, 24474, 20345}, {"", ""}}, 
   {575.2477, 11.396999, "Meta"} -> {{27937, 19758, 11874}, {"", ""}}, 
   {328.1616, 11.3960285, "Meta"} -> {{108881, 95696, 83729}, 
     {"Methotrimeprazine [ C19 H24 N2 O S, db=76.92, overall=38.46, KEGG \
ID=C07192, CAS ID=60-99-1 ]", "60-99-1"}}, {441.1043, 11.396527, "Meta"} -> 
    {{63652, 55926, 51529}, {"", ""}}, {398.1249, 11.39558, "Meta"} -> 
    {{27207, 20281, 14148}, 
     {"Cys Tyr Asn [ C16 H22 N4 O6 S, db=64.30, overall=32.15 ]", ""}}, 
   {410.1626, 11.397676, "Meta"} -> {{33398, 36874, 33192}, 
     {"Phe Asn Met [ C18 H26 N4 O5 S, db=72.68, overall=36.34 ]", ""}}, 
   {426.1383, 11.396766, "Meta"} -> {{132595, 180730, 159023}, 
     {"Mometasone [ C22 H28 Cl2 O4, db=54.85, overall=27.42, KEGG ID=C07816, \
CAS ID=105102-22-5 ]", "105102-22-5"}}, {136.1248, 11.399722, "Meta"} -> 
    {{67766, 56229, 45508}, {"(+)-Limonene [ C10 H16, db=85.33, \
overall=42.67, Lipid ID=LMPR01020041, KEGG ID=C06099 ]", ""}}, 
   {266.115, 11.397911, "Meta"} -> {{31483, 28603, 33599}, {"", ""}}, 
   {214.1567, 11.399723, "Meta"} -> {{981983, 896880, 678468}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=86.76, overall=43.38, \
Lipid ID=, KEGG ID= ]", ""}}, {274.189, 11.399056, "Meta"} -> 
    {{103993, 116657, 99488}, {"", ""}}, {312.1249, 11.399559, "Meta"} -> 
    {{41621, 30245, 25162}, {"", ""}}, {154.1354, 11.39986, "Meta"} -> 
    {{130790, 101675, 85653}, {"Linalool [ C10 H18 O, db=84.18, \
overall=42.09, Lipid ID=LMPR01020038, KEGG ID=C03985 ]", ""}}, 
   {647.4454, 11.415207, "Meta"} -> {{90238, 88495, 68782}, {"", ""}}, 
   {196.1447, 11.415208, "Meta"} -> {{43075, 28169, 1}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=61.34, overall=30.67, Lipid ID=, \
KEGG ID= ]", ""}}, {397.3034, 11.419818, "Meta"} -> 
    {{85312, 81756, 60821}, {"", ""}}, {518.121, 11.434154, "Meta"} -> 
    {{27920, 20338, 14581}, {"", ""}}, {336.157, 11.451531, "Meta"} -> 
    {{150806, 127196, 75458}, {"", ""}}, {246.1829, 11.451807, "Meta"} -> 
    {{127932, 145634, 117558}, {"", ""}}, {241.2038, 11.455589, "Meta"} -> 
    {{56646, 40131, 50124}, {"", ""}}, {478.2178, 11.45214, "Meta"} -> 
    {{58827, 48397, 33061}, {"Formestane-4-O-glucuronide [ C25 H34 O9, \
db=82.02, overall=41.01, KEGG ID=, CAS ID=102848-54-4 ]", "102848-54-4"}}, 
   {210.1249, 11.457354, "Meta"} -> {{53680, 56188, 54877}, 
     {"Jasmonic acid [ C12 H18 O3, db=81.52, overall=40.76, Lipid \
ID=LMFA02020001, KEGG ID= ]", ""}}, {342.2878, 11.461249, "Meta"} -> 
    {{17552, 17311, 1}, {"", ""}}, {367.1506, 11.475408, "Meta"} -> 
    {{38291, 45949, 35799}, 
     {"Asp His Pro [ C15 H21 N5 O6, db=71.89, overall=35.95 ]", ""}}, 
   {285.1362, 11.475694, "Meta"} -> {{536883, 463879, 356565}, 
     {"Morphine [ C17 H19 N O3, db=98.62, overall=49.31, KEGG ID=C01516, CAS \
ID=57-27-2 ]", "57-27-2"}}, {528.1969, 11.478286, "Meta"} -> 
    {{78731, 54429, 42768}, {"", ""}}, {460.2096, 11.476846, "Meta"} -> 
    {{40890, 34444, 28065}, 
     {"Trp Gln Gln [ C21 H28 N6 O6, db=60.46, overall=30.23 ]", ""}}, 
   {311.2457, 11.484715, "Meta"} -> {{340746, 128808, 287799}, {"", ""}}, 
   {347.2489, 11.499638, "Meta"} -> {{60717, 63095, 45074}, {"", ""}}, 
   {356.2318, 11.490559, "Meta"} -> {{25281, 15111, 1}, 
     {"Estradiol valerate [ C23 H32 O3, db=40.90, overall=20.45, Lipid \
ID=LMST02010039, KEGG ID=C12859 ]", ""}}, {344.1596, 11.518447, "Meta"} -> 
    {{211254, 194457, 94340}, {"16-Hydroxy-4-carboxyretinoic acid [ C20 H24 \
O5, db=62.38, overall=31.19, KEGG ID=, CAS ID=99665-36-8 ]", "99665-36-8"}}, 
   {414.204, 11.526778, "Meta"} -> {{26735, 104423, 78195}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=76.96, overall=38.48 ]", ""}}, 
   {413.2931, 11.527801, "Meta"} -> {{43039, 39681, 27499}, {"", ""}}, 
   {449.3137, 11.528334, "Meta"} -> {{108008, 92838, 64619}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=91.01, overall=45.51, HMP \
ID=HMDB00708, KEGG ID= ]", ""}}, {431.3032, 11.527909, "Meta"} -> 
    {{108756, 87910, 72856}, {"", ""}}, {250.1557, 11.546168, "Meta"} -> 
    {{43167, 49415, 25354}, {"Gemfibrozil [ C15 H22 O3, db=55.73, \
overall=27.87, KEGG ID=, CAS ID=25812-30-0 ]", "25812-30-0"}}, 
   {632.2483, 11.548585, "Meta"} -> {{1025217, 1498620, 1243880}, {"", ""}}, 
   {441.3298, 11.567675, "Meta"} -> {{92510, 93925, 72969}, {"", ""}}, 
   {424.3029, 11.567376, "Meta"} -> {{147109, 168465, 116314}, 
     {"2alpha-Fluoro-19-nor-22-oxa-1alpha,25-dihydroxyvitamin D3 [ C25 H41 F \
O4, db=58.90, overall=29.45, Lipid ID=LMST03020616, KEGG ID= ]", ""}}, 
   {488.2383, 11.5761385, "Meta"} -> {{47846, 35368, 24836}, {"", ""}}, 
   {329.2389, 11.608471, "Meta"} -> {{1416586, 1376174, 937357}, {"", ""}}, 
   {280.165, 11.619699, "Meta"} -> {{99250, 84775, 72815}, {"", ""}}, 
   {386.1862, 11.624001, "Meta"} -> {{46267, 36874, 25529}, {"", ""}}, 
   {386.2455, 11.630222, "Meta"} -> {{134255, 109182, 75862}, 
     {"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid [ C24 H34 O4, \
db=85.79, overall=42.90, Lipid ID=, KEGG ID= ]", ""}}, 
   {598.2424, 11.630831, "Meta"} -> {{100704, 111183, 100557}, {"", ""}}, 
   {735.4978, 11.632807, "Meta"} -> {{65301, 67814, 47530}, 
     {"Dipalmitoylphosphatidylserine [ C38 H74 N O10 P, db=54.29, \
overall=27.15, HMP ID=HMDB00614, KEGG ID= ]", ""}}, 
   {370.3555, 11.634998, "Meta"} -> {{26723, 51053, 51510}, {"", ""}}, 
   {468.2595, 11.6322565, "Meta"} -> {{35630, 34065, 22884}, {"", ""}}, 
   {740.4531, 11.631467, "Meta"} -> {{105977, 98279, 69157}, {"", ""}}, 
   {477.1897, 11.660638, "Meta"} -> {{206751, 1248963, 834481}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=85.23, overall=42.62, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {582.2477, 11.661, "Meta"} -> 
    {{94684, 70264, 93415}, {"Biliverdin IX [ C33 H34 N4 O6, db=87.31, \
overall=43.66, HMP ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", 
      " 114-25-0"}}, {354.2379, 11.661621, "Meta"} -> 
    {{34190, 35833, 27549}, {"13,14-dihydro-15-keto-PGF2alpha [ C20 H34 O5, \
db=42.26, overall=21.13, Lipid ID=LMFA03010027, KEGG ID= ]", ""}}, 
   {520.2644, 11.689971, "Meta"} -> {{58061, 48605, 31635}, 
     {"Medroxyprogesterone glucuronide [ C28 H40 O9, db=48.42, overall=24.21, \
KEGG ID=, CAS ID= ]", ""}}, {485.356, 11.693, "Meta"} -> 
    {{93410, 88501, 67612}, {"", ""}}, {240.1703, 11.670438, "Meta"} -> 
    {{82099, 1, 80904}, {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ \
C14 H24 O3, db=65.39, overall=32.69, Lipid ID=, KEGG ID= ]", ""}}, 
   {439.2696, 11.698639, "Meta"} -> {{29412, 1, 1}, 
     {"GPA(17:1(9Z)/0:0) [ C20 H42 N O7 P, db=58.14, overall=29.07, Lipid \
ID=LMGP10050002, KEGG ID= ]", ""}}, {414.2039, 11.722752, "Meta"} -> 
    {{116520, 209384, 131994}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=70.02, overall=35.01 ]", ""}}, 
   {522.2801, 11.738907, "Meta"} -> {{54241, 39442, 1}, {"", ""}}, 
   {262.1541, 11.742794, "Meta"} -> {{60222, 43863, 38202}, {"", ""}}, 
   {272.2133, 11.744, "Meta"} -> {{72110, 49685, 50665}, {"", ""}}, 
   {588.2251, 11.747442, "Meta"} -> {{21078, 43343, 33722}, {"", ""}}, 
   {528.1907, 11.747131, "Meta"} -> {{23067, 22399, 16452}, {"", ""}}, 
   {371.3033, 11.768027, "Meta"} -> {{69732, 106056, 66807}, {"", ""}}, 
   {590.3101, 11.752577, "Meta"} -> {{79768, 23071, 20651}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=61.46, overall=30.73, HMP \
ID=HMDB04158, KEGG ID= ]", ""}}, {417.1435, 11.795814, "Meta"} -> 
    {{21602, 22215, 19403}, {"Mefenamic acid Metabolite (b-D-Glucopyranuronic \
acid, 1-[2-[(2,3-dimethylphenyl)amino]benzoate]) [ C21 H23 N O8, db=50.07, \
overall=25.03, KEGG ID=, CAS ID=102623-18-7 ]", "102623-18-7"}}, 
   {282.1151, 11.797542, "Meta"} -> {{91871, 63464, 46894}, {"", ""}}, 
   {342.145, 11.797485, "Meta"} -> {{71450, 64665, 49306}, {"", ""}}, 
   {184.146, 11.798257, "Meta"} -> {{257998, 211074, 137095}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=82.08, overall=41.04, Lipid ID=, \
KEGG ID= ]", ""}}, {373.2647, 11.811193, "Meta"} -> 
    {{74852, 53588, 58778}, {"", ""}}, {299.2823, 11.815419, "Meta"} -> 
    {{17531, 46189, 1}, {"3-Dehydrosphinganine [ C18 H37 N O2, db=94.66, \
overall=47.33, KEGG ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {251.2249, 11.800002, "Meta"} -> {{97536, 106284, 99315}, {"", ""}}, 
   {534.3375, 11.806134, "Meta"} -> {{98375, 85211, 76530}, {"", ""}}, 
   {465.3086, 11.805584, "Meta"} -> {{654143, 571395, 423050}, 
     {"Cholylglycine [ C26 H43 N O6, db=97.59, overall=48.80, KEGG ID=, CAS \
ID=475-31-0 ]", "475-31-0"}}, {429.2878, 11.80568, "Meta"} -> 
    {{21378, 18100, 1}, {"", ""}}, {529.3823, 11.806334, "Meta"} -> 
    {{77049, 75542, 1}, {"", ""}}, {518.2228, 11.805154, "Meta"} -> 
    {{25639, 15148, 1}, {"26,26,26,27,27,27-hexafluoro-1alpha,25-dihydroxy-16\
,17,23,23,24,24-hexadehydrovitamin D3 / 26,26,26, [ C27 H32 F6 O3, db=61.57, \
overall=30.78, Lipid ID=LMST03020078, KEGG ID= ]", ""}}, 
   {585.3523, 11.805889, "Meta"} -> {{14453, 13885, 11560}, {"", ""}}, 
   {521.2284, 11.805668, "Meta"} -> {{27755, 20299, 1}, {"", ""}}, 
   {414.204, 11.809854, "Meta"} -> {{151762, 215462, 161550}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=78.79, overall=39.40 ]", ""}}, 
   {431.2309, 11.812069, "Meta"} -> {{49437, 66717, 51064}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=56.36, overall=28.18 ]", ""}}, 
   {218.1664, 11.82626, "Meta"} -> {{22602, 19343, 23728}, 
     {"6,8,10,12-pentadecatetraenal [ C15 H22 O, db=57.54, overall=28.77, \
Lipid ID=, KEGG ID= ]", ""}}, {270.1153, 11.829969, "Meta"} -> 
    {{94370, 77461, 56124}, {"chloroprocaine [ C13 H19 Cl N2 O2, db=55.52, \
overall=27.76, KEGG ID=, CAS ID= ]", ""}}, {330.1401, 11.829573, "Meta"} -> 
    {{102283, 93254, 72232}, {"Desmethyl methotrimeprazine 5-sulfoxide [ C18 \
H22 N2 O2 S, db=85.40, overall=42.70, KEGG ID=, CAS ID=16808-77-8 ]", 
      "16808-77-8"}}, {172.146, 11.8296385, "Meta"} -> 
    {{246604, 126042, 167923}, {"3-methyl-nonanoic acid [ C10 H20 O2, \
db=89.90, overall=44.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {186.1616, 11.829715, "Meta"} -> {{114327, 95040, 81945}, 
     {"Undecylic acid [ C11 H22 O2, db=83.39, overall=41.70, KEGG ID=, CAS \
ID= ]", ""}}, {431.3031, 11.831061, "Meta"} -> {{79669, 71158, 53512}, 
     {"", ""}}, {471.2956, 11.832395, "Meta"} -> {{76329, 57843, 40100}, 
     {"", ""}}, {308.1988, 11.834726, "Meta"} -> {{72480, 60548, 111781}, 
     {"", ""}}, {355.2544, 11.8503895, "Meta"} -> {{287349, 342481, 241979}, 
     {"", ""}}, {346.1188, 11.835636, "Meta"} -> {{40036, 37457, 33544}, 
     {"Nifedipine [ C17 H18 N2 O6, db=50.63, overall=25.31, KEGG ID=C07266, \
CAS ID=21829-25-4 ]", "21829-25-4"}}, {276.1724, 11.846942, "Meta"} -> 
    {{159650, 147869, 145274}, {"cyclandelate [ C17 H24 O3, db=63.51, \
overall=31.75, KEGG ID=, CAS ID=456-59-7 ]", "456-59-7"}}, 
   {369.197, 11.842227, "Meta"} -> {{38699, 38349, 25582}, {"", ""}}, 
   {588.2903, 11.855272, "Meta"} -> {{34637, 24368, 48426}, {"", ""}}, 
   {330.1805, 11.858284, "Meta"} -> {{382358, 345373, 416114}, 
     {"16-Hydroxy-4-oxoretinoic acid [ C20 H26 O4, db=78.37, overall=39.19, \
KEGG ID=, CAS ID=107257-23-8 ]", "107257-23-8"}}, 
   {252.1358, 11.86086, "Meta"} -> {{65173, 57145, 65074}, {"", ""}}, 
   {290.1884, 11.862444, "Meta"} -> {{148059, 191902, 163516}, 
     {"8-hydroxy-17-octadecene-9,11-diynoic acid [ C18 H26 O3, db=62.31, \
overall=31.16, Lipid ID=, KEGG ID= ]", ""}}, {351.2187, 11.864862, "Meta"} -> 
    {{147477, 161851, 98215}, {"", ""}}, {592.3258, 11.793964, "Meta"} -> 
    {{17820, 55243, 26246}, {"", ""}}, {309.2302, 11.861514, "Meta"} -> 
    {{260629, 562994, 474869}, {"", ""}}, {447.2981, 11.879917, "Meta"} -> 
    {{604705, 518457, 380518}, {"", ""}}, {511.3273, 11.884157, "Meta"} -> 
    {{112164, 77738, 103031}, {"", ""}}, {280.1649, 11.8923235, "Meta"} -> 
    {{98004, 72619, 72346}, {"", ""}}, {705.4871, 11.893938, "Meta"} -> 
    {{84174, 85995, 64523}, {"", ""}}, {291.2176, 11.896868, "Meta"} -> 
    {{301177, 241345, 1}, {"Penbutolol [ C18 H29 N O2, db=57.95, \
overall=28.98, KEGG ID=C07416, CAS ID=38363-40-5 ]", "38363-40-5"}}, 
   {688.4606, 11.89371, "Meta"} -> {{29948, 134777, 1}, {"", ""}}, 
   {267.2197, 11.913969, "Meta"} -> {{695618, 638442, 670893}, {"", ""}}, 
   {394.2926, 11.915362, "Meta"} -> {{183491, 202248, 143384}, {"", ""}}, 
   {251.2248, 11.917944, "Meta"} -> {{267169, 265856, 246462}, {"", ""}}, 
   {411.3194, 11.915528, "Meta"} -> {{89958, 91943, 68705}, {"", ""}}, 
   {256.219, 11.924389, "Meta"} -> {{87597, 85790, 60241}, {"", ""}}, 
   {610.2709, 11.924807, "Meta"} -> {{41378, 1, 23956}, {"", ""}}, 
   {534.281, 11.92525, "Meta"} -> {{104180, 95077, 70483}, {"", ""}}, 
   {451.3145, 11.934751, "Meta"} -> {{34441, 21680, 22420}, {"", ""}}, 
   {224.1408, 11.931854, "Meta"} -> {{71008, 40698, 35827}, 
     {"Methyl jasmonate [ C13 H20 O3, db=49.28, overall=24.64, KEGG \
ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {456.2698, 11.934423, "Meta"} -> {{67062, 44493, 53818}, {"", ""}}, 
   {572.3308, 11.924665, "Meta"} -> {{16381, 18313, 1}, {"", ""}}, 
   {428.2149, 11.942999, "Meta"} -> {{39002, 40207, 1}, {"", ""}}, 
   {315.2772, 11.940305, "Meta"} -> {{1821118, 1703238, 1671674}, {"", ""}}, 
   {413.2462, 11.94091, "Meta"} -> {{95076, 74737, 76451}, {"", ""}}, 
   {297.2667, 11.941416, "Meta"} -> {{120275, 127407, 127259}, 
     {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ C18 H35 N O2, db=86.94, \
overall=43.47, KEGG ID=, CAS ID= ]", ""}}, {341.2728, 11.941767, "Meta"} -> 
    {{33321, 26308, 24913}, {"", ""}}, {314.0917, 11.9444475, "Meta"} -> 
    {{52223, 37406, 93850}, {"", ""}}, {261.1217, 11.955101, "Meta"} -> 
    {{28402, 24508, 22212}, {"", ""}}, {379.2542, 11.973425, "Meta"} -> 
    {{41479, 36701, 1}, {"", ""}}, {594.3415, 11.96689, "Meta"} -> 
    {{326990, 257054, 187543}, {"L-Urobilin [ C33 H46 N4 O6, db=74.87, \
overall=37.44, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {255.2196, 11.968827, "Meta"} -> {{56433, 58115, 1}, {"", ""}}, 
   {414.2043, 11.974148, "Meta"} -> {{36390, 101565, 33854}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=62.51, overall=31.26 ]", ""}}, 
   {312.2301, 11.973156, "Meta"} -> {{133454, 90132, 115365}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=65.73, \
overall=32.86, Lipid ID=, KEGG ID= ]", ""}}, {328.2254, 11.979709, "Meta"} -> 
    {{48314, 58908, 1}, {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 \
H32 O5, db=55.40, overall=27.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {196.1461, 11.97807, "Meta"} -> {{46499, 18542, 14710}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=60.16, overall=30.08, Lipid ID=, \
KEGG ID= ]", ""}}, {754.4684, 11.973702, "Meta"} -> 
    {{112217, 106839, 78447}, {"", ""}}, {749.5135, 11.97703, "Meta"} -> 
    {{82013, 80287, 61472}, {"", ""}}, {324.1915, 11.994925, "Meta"} -> 
    {{34978, 52723, 41974}, {"12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrien\
oic acid [ C18 H28 O5, db=57.41, overall=28.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {309.23, 11.97869, "Meta"} -> {{125132, 1, 1}, {"", ""}}, 
   {301.1142, 11.992531, "Meta"} -> {{108896, 61615, 51008}, {"", ""}}, 
   {331.2543, 12.023166, "Meta"} -> {{402242, 501432, 227260}, {"", ""}}, 
   {455.3454, 12.01464, "Meta"} -> {{124959, 129264, 99619}, {"", ""}}, 
   {438.3189, 12.015082, "Meta"} -> {{225421, 214297, 153504}, {"", ""}}, 
   {358.2328, 12.025667, "Meta"} -> {{50011, 345411, 103187}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=96.96, overall=48.48 ]", ""}}, 
   {311.152, 12.032904, "Meta"} -> {{80481, 62197, 41058}, {"", ""}}, 
   {353.2775, 12.026425, "Meta"} -> {{39067, 306450, 86898}, {"", ""}}, 
   {385.3189, 12.040938, "Meta"} -> {{40908, 56613, 28453}, {"", ""}}, 
   {397.3187, 12.041324, "Meta"} -> {{65569, 99627, 68515}, {"", ""}}, 
   {798.4948, 12.054034, "Meta"} -> {{94951, 91600, 69810}, {"", ""}}, 
   {793.5397, 12.054131, "Meta"} -> {{66988, 1, 53927}, {"", ""}}, 
   {590.3062, 12.072692, "Meta"} -> {{29220, 24875, 18042}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=57.10, overall=28.55, HMP \
ID=HMDB04158, KEGG ID= ]", ""}}, {326.0038, 12.075236, "Meta"} -> 
    {{49690, 28374, 82611}, {"", ""}}, {236.1403, 12.083773, "Meta"} -> 
    {{88344, 67350, 52864}, {"", ""}}, {252.1866, 12.082345, "Meta"} -> 
    {{59264, 42086, 1}, {"", ""}}, {586.209, 12.083833, "Meta"} -> 
    {{83917, 168953, 176460}, {"", ""}}, {350.155, 12.082278, "Meta"} -> 
    {{92396, 75060, 64694}, {"", ""}}, {526.1727, 12.085113, "Meta"} -> 
    {{138709, 165120, 141123}, {"", ""}}, {466.1347, 12.082086, "Meta"} -> 
    {{206318, 140224, 107587}, {"", ""}}, {270.1981, 12.084306, "Meta"} -> 
    {{413843, 338344, 243964}, {"", ""}}, {412.1294, 12.085416, "Meta"} -> 
    {{156580, 127717, 109848}, {"", ""}}, {368.1654, 12.082582, "Meta"} -> 
    {{112262, 107378, 88764}, {"Testosterone sulfate [ C19 H28 O5 S, \
db=92.27, overall=46.13, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {498.1664, 12.083362, "Meta"} -> {{59860, 48989, 44580}, {"", ""}}, 
   {616.2339, 12.084806, "Meta"} -> {{39594, 71545, 56862}, {"", ""}}, 
   {243.2196, 12.102666, "Meta"} -> {{76488, 93390, 49432}, 
     {"2-amino-tetradecanoic acid [ C14 H29 N O2, db=84.12, overall=42.06, \
Lipid ID=, KEGG ID= ]", ""}}, {482.3452, 12.104295, "Meta"} -> 
    {{241984, 50643, 169050}, {"", ""}}, {234.1617, 12.111666, "Meta"} -> 
    {{76130, 72801, 72559}, {"", ""}}, {248.1769, 12.122094, "Meta"} -> 
    {{82658, 69804, 75392}, {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, \
db=79.54, overall=39.77, Lipid ID=, KEGG ID= ]", ""}}, 
   {291.2195, 12.120156, "Meta"} -> {{72547, 76031, 80626}, 
     {"Penbutolol [ C18 H29 N O2, db=68.40, overall=34.20, KEGG ID=C07416, \
CAS ID=38363-40-5 ]", "38363-40-5"}}, {837.5658, 12.128968, "Meta"} -> 
    {{56433, 60243, 45638}, {"", ""}}, {342.1837, 12.136654, "Meta"} -> 
    {{21840, 28859, 21375}, {"Acitretin Ro 23-4750 [ C21 H26 O4, db=77.85, \
overall=38.93, KEGG ID=, CAS ID=121785-73-7 ]", "121785-73-7"}}, 
   {264.1359, 12.146778, "Meta"} -> {{668315, 550583, 419526}, {"", ""}}, 
   {222.1252, 12.146971, "Meta"} -> {{87514, 69260, 54798}, 
     {"Hydroxyibuprofen [ C13 H18 O3, db=74.22, overall=37.11, KEGG ID=, CAS \
ID=51146-55-5 ]", "51146-55-5"}}, {296.1624, 12.147417, "Meta"} -> 
    {{157977, 99697, 70642}, {"Lactone of PGF-MUM [ C16 H24 O5, db=79.76, \
overall=39.88, KEGG ID=, CAS ID= ]", ""}}, {282.1466, 12.147778, "Meta"} -> 
    {{1068968, 908035, 683397}, {"Artemisinin [ C15 H22 O5, db=99.12, \
overall=49.56, KEGG ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {341.2723, 12.151607, "Meta"} -> {{42597, 29254, 22550}, {"", ""}}, 
   {380.1164, 12.147638, "Meta"} -> {{54830, 43804, 28900}, 
     {"Cys Gln Met [ C13 H24 N4 O5 S2, db=68.35, overall=34.18 ]", ""}}, 
   {306.1804, 12.177001, "Meta"} -> {{25193, 26016, 21330}, 
     {"Tetranor Iloprost [ C18 H26 O4, db=63.70, overall=31.85, KEGG ID=, CAS \
ID=93220-69-0 ]", "93220-69-0"}}, {402.1937, 12.148144, "Meta"} -> 
    {{54458, 55494, 49233}, 
     {"Pro Trp Thr [ C20 H26 N4 O5, db=72.34, overall=36.17 ]", ""}}, 
   {297.2667, 12.156, "Meta"} -> {{78599, 80439, 78404}, 
     {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ C18 H35 N O2, db=77.59, \
overall=38.79, KEGG ID=, CAS ID= ]", ""}}, {315.2772, 12.155445, "Meta"} -> 
    {{1347049, 1255504, 1194114}, {"", ""}}, {413.2455, 12.157277, "Meta"} -> 
    {{93759, 62852, 61479}, {"", ""}}, {313.2615, 12.160829, "Meta"} -> 
    {{190747, 130116, 233636}, {"", ""}}, {311.1518, 12.180069, "Meta"} -> 
    {{43361, 32708, 18906}, {"", ""}}, {299.9847, 12.185141, "Meta"} -> 
    {{895879, 755955, 1010572}, {"", ""}}, {318.1804, 12.2324295, "Meta"} -> 
    {{29432, 50335, 35393}, {"Ubiquinone (Q2) [ C19 H26 O4, db=42.47, \
overall=21.23, KEGG ID=, CAS ID=606-06-4 ]", "606-06-4"}}, 
   {606.2023, 12.187666, "Meta"} -> {{115394, 95075, 75630}, {"", ""}}, 
   {462.2252, 12.1875, "Meta"} -> {{404800, 366923, 283731}, 
     {"Hydrocortisone succinate [ C25 H34 O8, db=96.63, overall=48.31, Lipid \
ID=LMST02030126, KEGG ID=C12888 ]", ""}}, {525.2572, 12.187778, "Meta"} -> 
    {{231740, 187432, 142784}, {"", ""}}, {568.2631, 12.187808, "Meta"} -> 
    {{47554, 49560, 37244}, {"", ""}}, {621.1704, 12.188378, "Meta"} -> 
    {{37513, 27839, 20925}, {"", ""}}, {530.2126, 12.187939, "Meta"} -> 
    {{583186, 438009, 324561}, 
     {"Trp Tyr Tyr [ C29 H30 N4 O6, db=72.13, overall=36.06 ]", ""}}, 
   {377.2329, 12.190221, "Meta"} -> {{216071, 187767, 130522}, 
     {"Val Leu Phe [ C20 H31 N3 O4, db=88.80, overall=44.40 ]", ""}}, 
   {628.2743, 12.1870985, "Meta"} -> {{23643, 22281, 16748}, {"", ""}}, 
   {420.2121, 12.200396, "Meta"} -> {{42153, 32282, 21744}, {"", ""}}, 
   {228.1723, 12.197486, "Meta"} -> {{134905, 121220, 77640}, 
     {"10-keto tridecanoic acid [ C13 H24 O3, db=61.20, overall=30.60, Lipid \
ID=LMFA01060042, KEGG ID= ]", ""}}, {372.191, 12.199401, "Meta"} -> 
    {{76318, 59290, 44033}, {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=56.89, \
overall=28.44, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {357.2698, 12.228862, "Meta"} -> {{593291, 715981, 328985}, {"", ""}}, 
   {199.1932, 12.220861, "Meta"} -> {{448198, 374713, 208999}, 
     {"dodecanamide [ C12 H25 N O, db=98.45, overall=49.22, Lipid ID=, KEGG \
ID= ]", ""}}, {259.2255, 12.222748, "Meta"} -> {{82987, 93534, 39281}, 
     {"", ""}}, {269.235, 12.2237425, "Meta"} -> {{73420, 68528, 62119}, 
     {"", ""}}, {719.5028, 12.228621, "Meta"} -> {{57381, 65349, 45273}, 
     {"", ""}}, {664.2384, 12.227905, "Meta"} -> {{47486, 75295, 74179}, 
     {"", ""}}, {248.1768, 12.233333, "Meta"} -> {{29206, 38739, 29616}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=72.21, \
overall=36.10, Lipid ID=, KEGG ID= ]", ""}}, {284.1987, 12.237692, "Meta"} -> 
    {{164499, 168877, 129168}, {"", ""}}, {262.1929, 12.242998, "Meta"} -> 
    {{328822, 280379, 197968}, {"5,8-heptadecadiynoic acid [ C17 H26 O2, \
db=98.55, overall=49.28, Lipid ID=, KEGG ID= ]", ""}}, 
   {533.3115, 12.239881, "Meta"} -> {{70568, 68734, 58673}, {"", ""}}, 
   {302.1855, 12.243556, "Meta"} -> {{322850, 251951, 180384}, 
     {"2-Methoxyestradiol [ C19 H26 O3, db=76.71, overall=38.36, HMP \
ID=HMDB00405, KEGG ID= ]", ""}}, {436.1856, 12.235857, "Meta"} -> 
    {{67289, 121271, 1}, {"", ""}}, {596.3558, 12.249497, "Meta"} -> 
    {{20312, 18298, 1}, {"", ""}}, {242.188, 12.252134, "Meta"} -> 
    {{177927, 149416, 104229}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 \
O3, db=63.43, overall=31.71, Lipid ID=, KEGG ID= ]", ""}}, 
   {614.3666, 12.251577, "Meta"} -> {{51845, 1, 27571}, {"", ""}}, 
   {512.1788, 12.245139, "Meta"} -> {{47216, 40739, 23558}, 
     {"10S,11R-epoxy-punaglandin 3 [ C25 H33 Cl O9, db=53.22, overall=26.61, \
Lipid ID=LMFA03120039, KEGG ID= ]", ""}}, {376.1882, 12.266801, "Meta"} -> 
    {{196823, 159299, 91697}, 
     {"Arg Val Cys [ C14 H28 N6 O4 S, db=75.82, overall=37.91 ]", ""}}, 
   {580.2321, 12.270332, "Meta"} -> {{221991, 161440, 85123}, {"", ""}}, 
   {630.2687, 12.26936, "Meta"} -> {{151909, 129511, 109062}, {"", ""}}, 
   {612.2583, 12.2699175, "Meta"} -> {{123859, 103571, 60332}, {"", ""}}, 
   {672.2793, 12.270498, "Meta"} -> {{106735, 72845, 42410}, {"", ""}}, 
   {658.2637, 12.2717495, "Meta"} -> {{40875, 26689, 15857}, {"", ""}}, 
   {644.2843, 12.27025, "Meta"} -> {{294599, 208732, 137670}, {"", ""}}, 
   {298.2154, 12.269302, "Meta"} -> {{34248, 1, 18048}, 
     {"8E-Heptadecenedioic acid [ C17 H30 O4, db=61.18, overall=30.59, Lipid \
ID=, KEGG ID= ]", ""}}, {336.1262, 12.278805, "Meta"} -> 
    {{55520, 33881, 26806}, {"", ""}}, {238.1567, 12.281195, "Meta"} -> 
    {{843489, 595315, 430727}, {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 \
H22 O3, db=97.15, overall=48.57, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {423.3348, 12.288555, "Meta"} -> {{183176, 317942, 166345}, {"", ""}}, 
   {311.2457, 12.286498, "Meta"} -> {{460252, 447373, 418818}, {"", ""}}, 
   {374.2429, 12.298686, "Meta"} -> {{67040, 34736, 57131}, 
     {"Digitoxigenin [ C23 H34 O4, db=53.68, overall=26.84, KEGG ID=, CAS \
ID=143-62-4 ]", "143-62-4"}}, {477.1899, 12.302515, "Meta"} -> 
    {{23777, 145204, 77281}, {"3,5-Pyridinedicarboxylic acid, \
2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino] [ C26 \
H27 N3 O6, db=59.31, overall=29.66, KEGG ID=, CAS ID=59875-58-0 ]", 
      "59875-58-0"}}, {768.4842, 12.295834, "Meta"} -> 
    {{98272, 1, 68220}, {"", ""}}, {369.2874, 12.299877, "Meta"} -> 
    {{45458, 55847, 38524}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, \
db=64.19, overall=32.09, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {763.5288, 12.296454, "Meta"} -> {{67192, 75518, 53416}, {"", ""}}, 
   {314.1884, 12.299144, "Meta"} -> {{63305, 47271, 53503}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=70.86, overall=35.43, KEGG ID=, \
CAS ID=38030-57-8 ]", "38030-57-8"}}, {271.2523, 12.302779, "Meta"} -> 
    {{103748, 75115, 134377}, {"2R-aminohexadecanoic acid [ C16 H33 N O2, \
db=52.07, overall=26.04, Lipid ID=, KEGG ID= ]", ""}}, 
   {625.346, 12.299999, "Meta"} -> {{151397, 157761, 180760}, 
     {"Glycochenodeoxycholic acid 3-glucuronide [ C32 H51 N O11, db=99.35, \
overall=49.68, HMP ID=HMDB02579, KEGG ID= ]", ""}}, 
   {342.1463, 12.310115, "Meta"} -> {{43670, 1, 44646}, {"", ""}}, 
   {663.2926, 12.299033, "Meta"} -> {{29342, 20374, 1}, {"", ""}}, 
   {372.2661, 12.3107815, "Meta"} -> {{50529, 41354, 51628}, 
     {"(22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid [ C24 H36 O3, db=66.95, \
overall=33.48, Lipid ID=, KEGG ID= ]", ""}}, {329.2566, 12.319615, "Meta"} -> 
    {{44106, 40289, 30285}, {"", ""}}, {265.2404, 12.332487, "Meta"} -> 
    {{69390, 61830, 53886}, {"", ""}}, {305.2328, 12.322701, "Meta"} -> 
    {{46857, 41645, 35846}, {"", ""}}, {230.1879, 12.337853, "Meta"} -> 
    {{160569, 154038, 97424}, {"4-hydroxy-tridecanoic acid [ C13 H26 O3, \
db=63.86, overall=31.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {631.4503, 12.339085, "Meta"} -> {{94841, 101178, 76377}, {"", ""}}, 
   {312.1359, 12.347117, "Meta"} -> {{65342, 44112, 27312}, {"", ""}}, 
   {388.2607, 12.350721, "Meta"} -> {{59196, 43364, 26641}, 
     {"7,12-Dioxo-5beta-cholan-24-oic Acid [ C24 H36 O4, db=77.22, \
overall=38.61, Lipid ID=, KEGG ID= ]", ""}}, {328.2249, 12.339256, "Meta"} -> 
    {{264998, 240696, 84287}, {"9,12,13-trihydroxy-10,15-octadecadienoic acid \
[ C18 H32 O5, db=76.40, overall=38.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {425.3361, 12.35692, "Meta"} -> {{86874, 88017, 66072}, {"", ""}}, 
   {408.3088, 12.36271, "Meta"} -> {{125109, 39531, 86740}, {"", ""}}, 
   {281.2354, 12.3655615, "Meta"} -> {{202263, 138578, 174718}, {"", ""}}, 
   {360.1656, 12.382274, "Meta"} -> {{39777, 51929, 53699}, 
     {"Leu Asn Asp [ C14 H24 N4 O7, db=77.19, overall=38.60 ]", ""}}, 
   {338.2439, 12.380382, "Meta"} -> {{149555, 1, 99172}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=74.85, overall=37.42, KEGG ID=, \
CAS ID= ]", ""}}, {436.1472, 12.383839, "Meta"} -> 
    {{42995, 43174, 1}, {"", ""}}, {376.1198, 12.386286, "Meta"} -> 
    {{55218, 52147, 48508}, 
     {"Asp Asn Glu [ C13 H20 N4 O9, db=55.52, overall=27.76 ]", ""}}, 
   {278.1519, 12.387778, "Meta"} -> {{3479428, 3569660, 3695592}, {"", ""}}, 
   {148.0158, 12.3895, "Meta"} -> {{343610, 355920, 384718}, {"", ""}}, 
   {204.0784, 12.3909445, "Meta"} -> {{210977, 209512, 229642}, {"", ""}}, 
   {396.2873, 12.403235, "Meta"} -> {{150984, 148596, 150988}, 
     {"PGF2alpha isopropyl ester [ C23 H40 O5, db=87.08, overall=43.54, Lipid \
ID=LMFA03010076, KEGG ID= ]", ""}}, {276.17, 12.37928, "Meta"} -> 
    {{19983, 16672, 13727}, {"cyclandelate [ C17 H24 O3, db=51.06, \
overall=25.53, KEGG ID=, CAS ID=456-59-7 ]", "456-59-7"}}, 
   {607.326, 12.407581, "Meta"} -> {{23825, 33536, 45914}, {"", ""}}, 
   {675.4764, 12.4054, "Meta"} -> {{78263, 89052, 58630}, {"", ""}}, 
   {487.2618, 12.410424, "Meta"} -> {{118295, 96131, 77150}, {"", ""}}, 
   {562.256, 12.410714, "Meta"} -> {{53277, 44089, 39827}, 
     {"Protoporphyrin [ C34 H34 N4 O4, db=79.79, overall=39.90, KEGG \
ID=C01079, CAS ID=553-12-8 ]", "553-12-8"}}, {547.2891, 12.410121, "Meta"} -> 
    {{107994, 105810, 94419}, {"", ""}}, {449.3139, 12.410828, "Meta"} -> 
    {{2794518, 2291849, 1585832}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, \
db=99.45, overall=49.73, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {505.2336, 12.410571, "Meta"} -> {{70575, 52050, 37389}, {"", ""}}, 
   {431.3035, 12.411553, "Meta"} -> {{1314009, 1005360, 783532}, {"", ""}}, 
   {413.2934, 12.41158, "Meta"} -> {{477395, 417788, 298819}, {"", ""}}, 
   {491.3008, 12.412041, "Meta"} -> {{21232, 1, 22406}, {"", ""}}, 
   {1312.7719, 12.4140005, "Meta"} -> {{15809, 19339, 1}, {"", ""}}, 
   {851.5811, 12.417131, "Meta"} -> {{64616, 66352, 45428}, 
     {"C20-OHSulfatide [ C44 H85 N O12 S, db=89.76, overall=44.88, Lipid \
ID=LMSP06020005, KEGG ID= ]", ""}}, {467.301, 12.424151, "Meta"} -> 
    {{462791, 492948, 244604}, {"Myristoyl L-a-lysophosphatidylcholine [ C22 \
H46 N O7 P, db=96.32, overall=48.16, KEGG ID=, CAS ID=20559-16-4 ]", 
      "20559-16-4"}}, {469.361, 12.42775, "Meta"} -> 
    {{148004, 148683, 111385}, {"", ""}}, {452.3344, 12.426857, "Meta"} -> 
    {{316905, 290003, 240576}, {"", ""}}, {505.2485, 12.426792, "Meta"} -> 
    {{30311, 29097, 14282}, {"", ""}}, {863.4587, 12.424135, "Meta"} -> 
    {{36578, 31890, 26468}, {"", ""}}, {614.2372, 12.435374, "Meta"} -> 
    {{74530, 39506, 37220}, {"", ""}}, {324.0821, 12.4366255, "Meta"} -> 
    {{30456, 1, 1}, {"", ""}}, {274.2141, 12.443, "Meta"} -> 
    {{230765, 364259, 197317}, {"2,15-dihydroxy-pentadecylic acid [ C15 H30 \
O4, db=98.78, overall=49.39, Lipid ID=LMFA01050082, KEGG ID= ]", ""}}, 
   {256.2038, 12.44312, "Meta"} -> {{12989, 21462, 45184}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=62.07, overall=31.03, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {352.171, 12.430658, "Meta"} -> 
    {{46876, 52639, 35386}, {"", ""}}, {370.1815, 12.436501, "Meta"} -> 
    {{75424, 46866, 71624}, {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 \
H30 O5 S, db=68.09, overall=34.04, KEGG ID=, CAS ID=977-36-6 ]", 
      "977-36-6"}}, {500.1792, 12.433194, "Meta"} -> 
    {{53235, 35415, 28231}, {"gamma-Hydroxyphenylbutazone glucuronide [ C25 \
H28 N2 O9, db=72.50, overall=36.25, KEGG ID=, CAS ID= ]", ""}}, 
   {588.225, 12.436315, "Meta"} -> {{42881, 92449, 86011}, {"", ""}}, 
   {504.2695, 12.450472, "Meta"} -> {{82081, 68079, 56019}, {"", ""}}, 
   {528.189, 12.4353895, "Meta"} -> {{60112, 71992, 64574}, {"", ""}}, 
   {414.1453, 12.441296, "Meta"} -> {{59670, 52555, 44168}, {"", ""}}, 
   {270.2135, 12.456722, "Meta"} -> {{148907, 97090, 214089}, {"", ""}}, 
   {292.167, 12.460268, "Meta"} -> {{204074, 90064, 112859}, {"", ""}}, 
   {719.5026, 12.466721, "Meta"} -> {{64778, 68811, 44580}, {"", ""}}, 
   {399.3347, 12.47114, "Meta"} -> {{147212, 504004, 139634}, 
     {"Palmitoylcarnitine [ C23 H45 N O4, db=99.77, overall=49.89, Lipid \
ID=LMFA07070004, KEGG ID=C02990 ]", ""}}, {182.1666, 12.464886, "Meta"} -> 
    {{42328, 35379, 28219}, {"7E,9Z-dodecadien-1-ol [ C12 H22 O, db=80.52, \
overall=40.26, Lipid ID=, KEGG ID= ]", ""}}, {242.1878, 12.468251, "Meta"} -> 
    {{448430, 364280, 304248}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 \
O3, db=62.18, overall=31.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {895.6074, 12.470839, "Meta"} -> {{66114, 100461, 43333}, {"", ""}}, 
   {496.3607, 12.486807, "Meta"} -> {{237061, 219091, 161825}, {"", ""}}, 
   {513.3873, 12.487667, "Meta"} -> {{184278, 202629, 150783}, {"", ""}}, 
   {384.1933, 12.488749, "Meta"} -> {{106921, 96367, 113835}, {"", ""}}, 
   {250.1204, 12.488947, "Meta"} -> {{50862, 60455, 58357}, 
     {"Ubiquinone [ C14 H18 O4, db=74.11, overall=37.06, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {409.3186, 12.504228, "Meta"} -> 
    {{61247, 67578, 30588}, {"", ""}}, {374.2808, 12.501667, "Meta"} -> 
    {{179195, 125736, 89311}, {"3beta-Hydroxychol-4-en-24-oic Acid [ C24 H38 \
O3, db=92.13, overall=46.07, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2756, 12.501445, "Meta"} -> {{223449, 174238, 157346}, {"", ""}}, 
   {356.2712, 12.505676, "Meta"} -> {{182376, 155565, 115194}, 
     {"4,8,12,15,19,21-tetracosahexaenoic acid [ C24 H36 O2, db=94.78, \
overall=47.39, Lipid ID=, KEGG ID= ]", ""}}, {546.153, 12.509251, "Meta"} -> 
    {{38612, 25472, 18115}, {"", ""}}, {331.2721, 12.510544, "Meta"} -> 
    {{36296, 27523, 27130}, {"", ""}}, {449.314, 12.51639, "Meta"} -> 
    {{6242383, 5280055, 3605368}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, \
db=99.24, overall=49.62, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {562.2545, 12.516361, "Meta"} -> {{91692, 1, 56909}, 
     {"Protoporphyrin [ C34 H34 N4 O4, db=70.11, overall=35.05, KEGG \
ID=C01079, CAS ID=553-12-8 ]", "553-12-8"}}, {505.2343, 12.514931, "Meta"} -> 
    {{75054, 66066, 56674}, {"", ""}}, {487.2613, 12.517092, "Meta"} -> 
    {{203207, 160777, 124875}, {"", ""}}, {942.5912, 12.517724, "Meta"} -> 
    {{92901, 115562, 69388}, {"", ""}}, {391.3102, 12.521373, "Meta"} -> 
    {{145307, 34132, 98161}, {"N,N-(2,2-dihydroxy-ethyl) arachidonoyl amine [ \
C24 H41 N O3, db=41.49, overall=20.74, Lipid ID=LMFA08020028, KEGG ID= ]", 
      ""}}, {768.484, 12.522172, "Meta"} -> {{55430, 45656, 1}, {"", ""}}, 
   {547.2912, 12.518182, "Meta"} -> {{107479, 144853, 132472}, {"", ""}}, 
   {763.5285, 12.522705, "Meta"} -> {{47113, 30857, 35720}, {"", ""}}, 
   {612.2584, 12.528093, "Meta"} -> {{100242, 29482, 1}, {"", ""}}, 
   {537.3427, 12.543621, "Meta"} -> {{34355, 35318, 28203}, 
     {"GPEtn(10:0/11:0)[U] [ C26 H52 N O8 P, db=59.82, overall=29.91, Lipid \
ID=LMGP02010053, KEGG ID= ]", ""}}, {425.2543, 12.535178, "Meta"} -> 
    {{19555, 13153, 11457}, {"GPEtn(14:0/0:0) [ C19 H40 N O7 P, db=66.09, \
overall=33.05, Lipid ID=LMGP02050003, KEGG ID= ]", ""}}, 
   {557.4136, 12.545144, "Meta"} -> {{235074, 244129, 174247}, {"", ""}}, 
   {355.2721, 12.554709, "Meta"} -> {{141384, 142948, 136403}, {"", ""}}, 
   {225.2089, 12.554222, "Meta"} -> {{198349, 163446, 144600}, {"", ""}}, 
   {650.3645, 12.549894, "Meta"} -> {{47344, 35388, 30189}, 
     {"Digoxigenin bisdigitoxoside [ C35 H54 O11, db=73.18, overall=36.59, \
KEGG ID=, CAS ID=5297-05-2 ]", "5/2/97"}}, {580.2348, 12.5748005, "Meta"} -> 
    {{93849, 80859, 42584}, {"", ""}}, {501.3662, 12.573688, "Meta"} -> 
    {{88419, 102319, 93651}, {"", ""}}, {434.2881, 12.585032, "Meta"} -> 
    {{455939, 22632, 61609}, {"(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavi\
tamin D3 3-oxide / (5Z)-(3S)-1alpha,25-dihydroxy-3-deo [ C26 H42 O3 S, \
db=73.08, overall=36.54, Lipid ID=LMST03020052, KEGG ID= ]", ""}}, 
   {467.3008, 12.5836935, "Meta"} -> {{3778220, 4220242, 1991003}, 
     {"Myristoyl L-a-lysophosphatidylcholine [ C22 H46 N O7 P, db=97.87, \
overall=48.94, KEGG ID=, CAS ID=20559-16-4 ]", "20559-16-4"}}, 
   {505.2486, 12.583806, "Meta"} -> {{236193, 243671, 125083}, {"", ""}}, 
   {565.2755, 12.582859, "Meta"} -> {{125019, 183368, 104855}, 
     {" [ C32 H39 N O8, overall=43.39, mfg=86.78 ]", ""}}, 
   {451.3146, 12.585577, "Meta"} -> {{232626, 115699, 224958}, {"", ""}}, 
   {279.2563, 12.585971, "Meta"} -> {{1373609, 1062298, 1080528}, {"", ""}}, 
   {319.2485, 12.586908, "Meta"} -> {{1158888, 1009256, 890213}, 
     {"N-hydroxy arachidonoyl amine [ C20 H33 N O2, db=80.38, overall=40.19, \
Lipid ID=LMFA08020029, KEGG ID= ]", ""}}, {625.3125, 12.582887, "Meta"} -> 
    {{12803, 28729, 19117}, {"", ""}}, {499.2697, 12.597638, "Meta"} -> 
    {{103014, 461128, 51772}, {"", ""}}, {584.4132, 12.599159, "Meta"} -> 
    {{369798, 332186, 243029}, {"", ""}}, {601.4399, 12.599721, "Meta"} -> 
    {{241686, 244099, 180384}, {"", ""}}, {246.2193, 12.616779, "Meta"} -> 
    {{100680, 107927, 99432}, {"", ""}}, {367.4175, 12.6358, "Meta"} -> 
    {{17122, 18194, 18960}, {"", ""}}, {579.2638, 12.629876, "Meta"} -> 
    {{113760, 132805, 1}, {"", ""}}, {541.3169, 12.629602, "Meta"} -> 
    {{1164625, 1179767, 541189}, {"", ""}}, {639.2913, 12.632768, "Meta"} -> 
    {{18457, 54844, 1}, 
     {" [ C33 H41 N3 O10, db=0.00, overall=27.22, mfg=54.45 ]", ""}}, 
   {425.3506, 12.640696, "Meta"} -> {{256922, 776786, 251027}, {"", ""}}, 
   {185.1413, 12.638656, "Meta"} -> {{124640, 120282, 115292}, 
     {"N-methyl-Gabapentin [ C10 H19 N O2, db=81.22, overall=40.61, KEGG ID=, \
CAS ID=102937-74-6 ]", "102937-74-6"}}, {285.2666, 12.643584, "Meta"} -> 
    {{18078, 27449, 24290}, {"C17 Sphingosine [ C17 H35 N O2, db=57.52, \
overall=28.76, Lipid ID=LMSP01040002, KEGG ID= ]", ""}}, 
   {327.277, 12.625759, "Meta"} -> {{97609, 70882, 99191}, {"", ""}}, 
   {821.5705, 12.638498, "Meta"} -> {{51819, 51011, 40406}, {"", ""}}, 
   {268.24, 12.642863, "Meta"} -> {{101044, 103654, 104572}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=79.16, overall=39.58, Lipid \
ID=LMFA01030060, KEGG ID= ]", ""}}, {545.3922, 12.643999, "Meta"} -> 
    {{73365, 72175, 81867}, {"", ""}}, {302.1891, 12.6535015, "Meta"} -> 
    {{61555, 56360, 18394}, {"2-Methoxyestradiol [ C19 H26 O3, db=65.37, \
overall=32.69, HMP ID=HMDB00405, KEGG ID= ]", ""}}, 
   {650.4213, 12.651346, "Meta"} -> {{264528, 1, 178151}, {"", ""}}, 
   {645.466, 12.651555, "Meta"} -> {{236207, 230166, 176068}, {"", ""}}, 
   {335.2434, 12.66379, "Meta"} -> {{786417, 433836, 699001}, {"", ""}}, 
   {256.2034, 12.661515, "Meta"} -> {{162919, 186370, 110758}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=61.28, overall=30.64, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {493.3169, 12.66411, "Meta"} -> 
    {{815987, 924231, 475686}, {"", ""}}, {531.2641, 12.663871, "Meta"} -> 
    {{70929, 67352, 40996}, {"", ""}}, {590.3068, 12.671346, "Meta"} -> 
    {{50819, 50934, 34000}, {"D-Urobilinogen [ C33 H42 N4 O6, db=52.07, \
overall=26.03, HMP ID=HMDB04158, KEGG ID= ]", ""}}, 
   {396.1935, 12.680503, "Meta"} -> {{140080, 124349, 93551}, 
     {"Pregnenolone sulfate [ C21 H32 O5 S, db=36.59, overall=18.29, HMP \
ID=HMDB00774, KEGG ID= ]", ""}}, {632.5102, 12.680666, "Meta"} -> 
    {{90614, 1, 87789}, {"", ""}}, {865.5968, 12.684233, "Meta"} -> 
    {{55734, 53169, 1}, {"", ""}}, {395.2349, 12.689027, "Meta"} -> 
    {{122133, 119499, 88876}, {"", ""}}, {379.2488, 12.687057, "Meta"} -> 
    {{694595, 819833, 464719}, {"Sphingosine-1-phosphate [ C18 H38 N O5 P, \
db=99.36, overall=49.68, KEGG ID=, CAS ID=26993-30-6 ]", "26993-30-6"}}, 
   {319.2487, 12.687944, "Meta"} -> {{2685037, 2202677, 1716533}, 
     {"N-hydroxy arachidonoyl amine [ C20 H33 N O2, db=82.57, overall=41.29, \
Lipid ID=LMFA08020029, KEGG ID= ]", ""}}, {279.2564, 12.689749, "Meta"} -> 
    {{3674940, 3708223, 3240611}, {"", ""}}, {342.3243, 12.690058, "Meta"} -> 
    {{84181, 65316, 1}, {"", ""}}, {352.236, 12.696232, "Meta"} -> 
    {{227470, 275852, 373361}, {"", ""}}, {180.0781, 12.695332, "Meta"} -> 
    {{101983, 99226, 139345}, {"o-Methoxyhydrocinnamic acid [ C10 H12 O3, \
db=82.64, overall=41.32, KEGG ID=, CAS ID= ]", ""}}, 
   {314.1855, 12.695227, "Meta"} -> {{806828, 689629, 871422}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=73.03, overall=36.52, KEGG ID=, \
CAS ID=38030-57-8 ]", "38030-57-8"}}, {309.2304, 12.69561, "Meta"} -> 
    {{1139255, 1117822, 1389933}, {"", ""}}, {475.2699, 12.694333, "Meta"} -> 
    {{144016, 124898, 96629}, {"", ""}}, {236.1406, 12.695944, "Meta"} -> 
    {{68384, 69258, 82211}, {"", ""}}, {689.4924, 12.699888, "Meta"} -> 
    {{193284, 197566, 161042}, {"", ""}}, {672.4659, 12.699749, "Meta"} -> 
    {{271758, 245629, 183043}, {"", ""}}, {609.351, 12.6962595, "Meta"} -> 
    {{118617, 99315, 87031}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl [ C32 H51 N O10, \
db=94.76, overall=47.38, HMP ID=HMDB02474, KEGG ID= ]", ""}}, 
   {382.2147, 12.704666, "Meta"} -> {{66214, 24832, 22805}, 
     {"3,12-Dioxochola-1,4,9(11)-trien-24-oic Acid [ C24 H30 O4, db=73.34, \
overall=36.67, Lipid ID=, KEGG ID= ]", ""}}, {589.4187, 12.706942, "Meta"} -> 
    {{57841, 60023, 38580}, {"", ""}}, {307.2718, 12.7117195, "Meta"} -> 
    {{22439, 18824, 24442}, {"", ""}}, {270.2192, 12.709618, "Meta"} -> 
    {{82763, 150698, 102493}, {"3-keto palmitic acid [ C16 H30 O3, db=85.03, \
overall=42.52, Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, 
   {537.217, 12.694345, "Meta"} -> {{32809, 26778, 1}, {"", ""}}, 
   {499.2698, 12.711946, "Meta"} -> {{344131, 332017, 184548}, {"", ""}}, 
   {300.2299, 12.716436, "Meta"} -> {{147432, 190248, 115916}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=79.78, overall=39.89, \
Lipid ID=, KEGG ID= ]", ""}}, {630.4941, 12.715778, "Meta"} -> 
    {{57758, 145378, 50599}, {"", ""}}, {252.2085, 12.716553, "Meta"} -> 
    {{69323, 89066, 38002}, {"2E,4E-hexadecadienoic acid [ C16 H28 O2, \
db=73.15, overall=36.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {914.5783, 12.727905, "Meta"} -> {{64778, 62793, 44069}, {"", ""}}, 
   {280.2014, 12.73493, "Meta"} -> {{76405, 76007, 55257}, 
     {"12S-HHTrE [ C17 H28 O3, db=42.31, overall=21.16, KEGG ID=, CAS ID= ]", 
      ""}}, {329.2928, 12.71444, "Meta"} -> {{396892, 1023217, 1014704}, 
     {"", ""}}, {355.2179, 12.744277, "Meta"} -> {{109635, 94279, 83214}, 
     {"p-Hydroxypropoxyphene [ C22 H29 N O3, db=63.66, overall=31.83, KEGG \
ID=, CAS ID=43117-32-4 ]", "43117-32-4"}}, {240.2085, 12.740068, "Meta"} -> 
    {{94868, 70549, 52202}, {"2-pentadecenoic acid [ C15 H28 O2, db=72.07, \
overall=36.04, Lipid ID=, KEGG ID= ]", ""}}, {573.2378, 12.738915, "Meta"} -> 
    {{29355, 22691, 1}, {"", ""}}, {874.5164, 12.745845, "Meta"} -> 
    {{84821, 67291, 53727}, {"Ivermectin B1a [ C48 H74 O14, db=21.59, \
overall=10.80, KEGG ID=C07970, CAS ID=71827-03-7 ]", "71827-03-7"}}, 
   {615.29, 12.742728, "Meta"} -> {{62712, 73615, 57134}, {"", ""}}, 
   {393.2191, 12.747176, "Meta"} -> {{148776, 1, 154897}, {"", ""}}, 
   {733.5184, 12.745, "Meta"} -> {{164511, 170011, 121427}, {"", ""}}, 
   {716.4917, 12.745065, "Meta"} -> {{233024, 206959, 140690}, {"", ""}}, 
   {517.3169, 12.746193, "Meta"} -> {{3874121, 3800699, 1913376}, 
     {"Linolenoyl lysolecithin [ C26 H48 N O7 P, db=99.00, overall=49.50, \
KEGG ID=, CAS ID=63163-01-9 ]", "63163-01-9"}}, 
   {555.2641, 12.744076, "Meta"} -> {{238369, 233605, 1}, 
     {"Leucine Enkephalin [ C28 H37 N5 O7, db=46.08, overall=23.04, KEGG ID=, \
CAS ID=81678-16-2 ]", "81678-16-2"}}, {1096.581, 12.747542, "Meta"} -> 
    {{158448, 139749, 64736}, {"", ""}}, {1058.6335, 12.748626, "Meta"} -> 
    {{79407, 125872, 38404}, {"", ""}}, {451.2698, 12.751194, "Meta"} -> 
    {{176272, 123046, 164340}, {"", ""}}, {1104.6042, 12.750401, "Meta"} -> 
    {{21241, 30995, 1}, {"", ""}}, {594.238, 12.752146, "Meta"} -> 
    {{73931, 63818, 38284}, {"", ""}}, {1661.8961, 12.749751, "Meta"} -> 
    {{48030, 43377, 1}, {"", ""}}, {295.2514, 12.752306, "Meta"} -> 
    {{1.2*^7, 1.1*^7, 1.07*^7}, {"", ""}}, {646.5257, 12.745705, "Meta"} -> 
    {{44596, 47493, 44495}, {"", ""}}, {654.2522, 12.751028, "Meta"} -> 
    {{159170, 115919, 65991}, {"", ""}}, {541.3161, 12.752888, "Meta"} -> 
    {{1.19*^7, 1.09*^7, 5476713}, {"", ""}}, {597.2377, 12.750058, "Meta"} -> 
    {{134061, 90521, 86324}, {"", ""}}, {579.2647, 12.7531395, "Meta"} -> 
    {{820736, 763796, 495016}, 
     {" [ C32 H39 N2 O8, db=0.00, overall=32.44, mfg=64.87 ]", ""}}, 
   {710.2763, 12.752368, "Meta"} -> {{32717, 33726, 1}, {"", ""}}, 
   {639.2909, 12.752972, "Meta"} -> {{166902, 196968, 142012}, 
     {" [ C33 H41 N3 O10, db=0.00, overall=34.40, mfg=68.80 ]", ""}}, 
   {563.2865, 12.751833, "Meta"} -> {{60877, 45987, 22606}, {"", ""}}, 
   {278.2243, 12.768029, "Meta"} -> {{225427, 212251, 199138}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=76.66, overall=38.33, Lipid \
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    {{70081, 65688, 1}, {"", ""}}, {1613.8976, 12.766002, "Meta"} -> 
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    {{43918, 26355, 21502}, {"", ""}}, {200.1773, 12.781779, "Meta"} -> 
    {{165145, 113508, 106206}, {"Lauric acid [ C12 H24 O2, db=93.72, \
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   {214.1929, 12.781723, "Meta"} -> {{94432, 71277, 71063}, 
     {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, db=85.75, overall=42.87, \
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    {{229655, 136144, 136630}, {"7-palmitoleic acid [ C16 H30 O2, db=89.68, \
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   {1072.5817, 12.78529, "Meta"} -> {{197154, 200912, 85497}, {"", ""}}, 
   {777.5449, 12.788111, "Meta"} -> {{123312, 124002, 98842}, {"", ""}}, 
   {294.2171, 12.80724, "Meta"} -> {{234588, 177860, 58109}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=65.45, overall=32.73, \
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    {{87930, 169059, 1}, {"", ""}}, {483.3767, 12.801028, "Meta"} -> 
    {{101941, 104384, 80983}, {"", ""}}, {466.3504, 12.800827, "Meta"} -> 
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    {{1586342, 1657714, 792838}, {"", ""}}, {272.1993, 12.802755, "Meta"} -> 
    {{106992, 79971, 108057}, {"3-methyl-tetradecanedioic acid [ C15 H28 O4, \
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   {1002.6305, 12.8012295, "Meta"} -> {{60997, 1, 35587}, {"", ""}}, 
   {1024.5826, 12.804735, "Meta"} -> {{172627, 185802, 63717}, {"", ""}}, 
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     {" [ C34 H41 N O8, db=0.00, overall=41.36, mfg=82.72 ]", ""}}, 
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   {493.3159, 12.811169, "Meta"} -> {{8201519, 8926394, 4235325}, {"", ""}}, 
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   {549.2373, 12.808871, "Meta"} -> {{94402, 1, 33469}, {"", ""}}, 
   {454.3057, 12.813647, "Meta"} -> {{55399, 44456, 35666}, 
     {"26,26,26-trifluoro-25-hydroxyvitamin D3 / \
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   {414.3129, 12.812971, "Meta"} -> {{77263, 63223, 52999}, 
     {"1alpha,25-dihydroxy-9,11-didehydrovitamin D_3 / \
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   {596.2634, 12.8228445, "Meta"} -> {{93959, 29116, 1}, {"", ""}}, 
   {437.2892, 12.8172, "Meta"} -> {{56515, 1, 31461}, {"", ""}}, 
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   {677.4712, 12.822635, "Meta"} -> {{27034, 1, 35818}, {"", ""}}, 
   {256.2036, 12.822162, "Meta"} -> {{113406, 119077, 16517}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=61.54, overall=30.77, \
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    {{103389, 110320, 61471}, {"", ""}}, {280.2011, 12.8328, "Meta"} -> 
    {{59052, 55725, 36852}, 
     {"12S-HHTrE [ C17 H28 O3, db=40.55, overall=20.28, KEGG ID=, CAS ID= ]", 
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     {"", ""}}, {240.2083, 12.832307, "Meta"} -> {{43317, 41836, 30315}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=72.97, overall=36.49, Lipid ID=, \
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    {{186629, 189621, 158144}, {"", ""}}, {510.3765, 12.837113, "Meta"} -> 
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    {{75406, 51939, 1}, {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=56.30, \
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    {{72236, 72558, 47509}, {"", ""}}, {588.2239, 12.856218, "Meta"} -> 
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     {"Trp His Met [ C22 H28 N6 O4 S, db=36.23, overall=18.12 ]", ""}}, 
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   {870.5522, 12.86621, "Meta"} -> {{69859, 61252, 1}, {"", ""}}, 
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   {500.1787, 12.860778, "Meta"} -> {{59355, 37199, 30796}, 
     {"gamma-Hydroxyphenylbutazone glucuronide [ C25 H28 N2 O9, db=78.83, \
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    {{122800, 223372, 269519}, {"", ""}}, {477.2857, 12.872913, "Meta"} -> 
    {{611069, 943278, 1}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=70.03, overall=35.02 ]", ""}}, 
   {560.2004, 12.861138, "Meta"} -> {{30884, 22395, 20357}, {"", ""}}, 
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   {370.1814, 12.859806, "Meta"} -> {{136225, 95738, 97802}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=96.30, \
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   {468.1503, 12.861229, "Meta"} -> {{33796, 18222, 17796}, {"", ""}}, 
   {352.1708, 12.858888, "Meta"} -> {{38777, 35629, 28205}, {"", ""}}, 
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     {"Hexadecanedioic acid [ C16 H30 O4, db=98.68, overall=49.34, HMP \
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    {{2060079, 4473017, 4832254}, {"9-lauroleic acid [ C12 H22 O2, db=98.26, \
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     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=73.37, \
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     {"Megestrol [ C22 H30 O3, db=77.08, overall=38.54, KEGG ID=C07120, CAS \
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    {{80060, 53658, 72474}, {"", ""}}, {927.4605, 12.892209, "Meta"} -> 
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    {{730214, 1892908, 417293}, {"Fexofenadine [ C32 H39 N O4, db=58.07, \
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   {519.3325, 12.914667, "Meta"} -> {{2.57*^7, 3.15*^7, 1.02*^7}, 
     {"1-Linoleoylphosphatidylcholine [ C26 H50 N O7 P, db=99.74, \
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     {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=99.47, overall=49.74, Lipid \
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    {{9160097, 1.32*^7, 3286802}, {"Arachidonyl lysolecithin [ C28 H50 N O7 \
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   {374.2817, 12.962293, "Meta"} -> {{45015, 29476, 37803}, 
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    {{413642, 297743, 338592}, {"4,8,12,15,19,21-tetracosahexaenoic acid [ \
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   {490.2618, 12.964534, "Meta"} -> {{42655, 26840, 31916}, {"", ""}}, 
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    {{82390, 72198, 121876}, {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ C18 \
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   {791.5607, 13.040998, "Meta"} -> {{222098, 227598, 243378}, 
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   {2688.6223, 13.063168, "Meta"} -> {{326376, 342953, 280638}, {"", ""}}, 
   {2163.2751, 13.062931, "Meta"} -> {{765086, 580089, 1}, {"", ""}}, 
   {543.3319, 13.063498, "Meta"} -> {{3.83*^7, 3.74*^7, 2.69*^7}, 
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   {2706.6082, 13.062159, "Meta"} -> {{431552, 522682, 351043}, {"", ""}}, 
   {1643.9438, 13.05885, "Meta"} -> {{478065, 419876, 26231}, {"", ""}}, 
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   {1085.148, 13.051999, "Meta"} -> {{171283, 118922, 1}, {"", ""}}, 
   {1108.6469, 13.077904, "Meta"} -> {{2035833, 686702, 1435507}, {"", ""}}, 
   {227.2248, 13.0732765, "Meta"} -> {{473664, 284791, 599941}, {"", ""}}, 
   {2736.6213, 13.073694, "Meta"} -> {{115308, 98749, 82593}, {"", ""}}, 
   {835.5869, 13.074905, "Meta"} -> {{229517, 214444, 206633}, 
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    {{96737, 83822, 1}, {"", ""}}, {2211.2727, 13.054061, "Meta"} -> 
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    {{156233, 92926, 99903}, {"", ""}}, {1132.6469, 13.069969, "Meta"} -> 
    {{309505, 454626, 244573}, {"", ""}}, {596.2542, 13.080718, "Meta"} -> 
    {{85003, 62174, 86770}, {"", ""}}, {581.2799, 13.083571, "Meta"} -> 
    {{1119585, 774788, 883406}, 
     {" [ C32 H41 N2 O8, db=0.00, overall=32.80, mfg=65.61 ]", ""}}, 
   {1109.1458, 13.055641, "Meta"} -> {{42348, 34158, 1}, {"", ""}}, 
   {1148.6106, 13.078375, "Meta"} -> {{110149, 112941, 1}, {"", ""}}, 
   {565.3148, 13.10748, "Meta"} -> {{2471898, 2685744, 3316666}, {"", ""}}, 
   {567.3319, 13.080111, "Meta"} -> {{4907522, 5650534, 2921336}, {"", ""}}, 
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   {605.2795, 13.091028, "Meta"} -> {{188414, 191061, 196074}, {"", ""}}, 
   {413.1753, 13.097616, "Meta"} -> {{50890, 40111, 62770}, 
     {"6-HydroxyKetanserinol [ C22 H24 F N3 O4, db=69.07, overall=34.54, KEGG \
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   {368.1178, 13.0997505, "Meta"} -> {{604500, 338159, 680065}, {"", ""}}, 
   {428.1498, 13.105187, "Meta"} -> {{82592, 61849, 139487}, {"", ""}}, 
   {884.5686, 13.102304, "Meta"} -> {{195658, 1, 1}, {"", ""}}, 
   {879.6129, 13.101585, "Meta"} -> {{184247, 181854, 156075}, 
     {"C22-OH Sulfatide [ C46 H89 N O12 S, db=91.18, overall=45.59, Lipid \
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    {{81181, 222191, 41553}, {"", ""}}, {1014.6646, 13.105733, "Meta"} -> 
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    {{37001, 132658, 1}, {"", ""}}, {1577.9615, 13.126093, "Meta"} -> 
    {{99517, 250482, 61290}, {"", ""}}, {2067.2766, 13.130343, "Meta"} -> 
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    {{32602, 118645, 1}, {"", ""}}, {1571.945, 13.118097, "Meta"} -> 
    {{162968, 297504, 124352}, {"", ""}}, {1586.915, 13.117623, "Meta"} -> 
    {{49921, 68732, 1}, {"", ""}}, {1052.6125, 13.115471, "Meta"} -> 
    {{288957, 505379, 214048}, {"", ""}}, {495.3321, 13.115849, "Meta"} -> 
    {{8257482, 1.79*^7, 6447742}, {"", ""}}, 
   {1547.9456, 13.121827, "Meta"} -> {{65149, 189967, 35862}, {"", ""}}, 
   {533.28, 13.1384115, "Meta"} -> {{400073, 583042, 262541}, {"", ""}}, 
   {1028.6132, 13.119733, "Meta"} -> {{59765, 192062, 54376}, {"", ""}}, 
   {507.3327, 13.120777, "Meta"} -> {{937397, 2563688, 2618380}, {"", ""}}, 
   {923.6393, 13.128447, "Meta"} -> {{139575, 150235, 115119}, {"", ""}}, 
   {369.2878, 13.135938, "Meta"} -> {{41187, 50997, 59987}, 
     {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, db=66.03, overall=33.01, \
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    {{1360775, 2130778, 1}, {"Linolenoyl lysolecithin [ C26 H48 N O7 P, \
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   {280.2016, 13.128001, "Meta"} -> {{59539, 38431, 44692}, 
     {"12S-HHTrE [ C17 H28 O3, db=67.26, overall=33.63, KEGG ID=, CAS ID= ]", 
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     {"", ""}}, {593.3067, 13.134848, "Meta"} -> {{88056, 1, 122629}, 
     {"", ""}}, {541.4191, 13.125042, "Meta"} -> {{131907, 102915, 44469}, 
     {"", ""}}, {374.2433, 13.145103, "Meta"} -> {{79014, 60921, 63903}, 
     {"Digitoxigenin [ C23 H34 O4, db=51.93, overall=25.96, KEGG ID=, CAS \
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    {{195966, 105452, 209136}, {"13R-hydroxy-9E,11Z-octadecadienoic acid [ \
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   {967.665, 13.152544, "Meta"} -> {{115280, 116734, 93243}, {"", ""}}, 
   {859.5254, 13.156605, "Meta"} -> {{65813, 77726, 48139}, {"", ""}}, 
   {284.235, 13.1601715, "Meta"} -> {{59893, 110616, 65330}, 
     {"2-oxo-heptadecanoic acid [ C17 H32 O3, db=99.17, overall=49.59, Lipid \
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    {{139226, 59304, 67851}, {"", ""}}, {415.1816, 13.160233, "Meta"} -> 
    {{26814, 36365, 25196}, 
     {"Pro His Tyr [ C20 H25 N5 O5, db=56.87, overall=28.44 ]", ""}}, 
   {400.2138, 13.160443, "Meta"} -> {{63272, 97266, 70559}, 
     {"Trp Pro Val [ C21 H28 N4 O4, db=73.29, overall=36.65 ]", ""}}, 
   {360.0762, 13.162133, "Meta"} -> {{20348, 14985, 46228}, {"", ""}}, 
   {418.1866, 13.1605, "Meta"} -> {{24235, 29415, 19914}, 
     {"Trp Val Asp [ C20 H26 N4 O6, db=57.27, overall=28.64 ]", ""}}, 
   {302.2457, 13.161195, "Meta"} -> {{1104725, 1883759, 1434344}, {"", ""}}, 
   {435.2755, 13.168929, "Meta"} -> {{44740, 42298, 35731}, {"", ""}}, 
   {362.278, 13.161973, "Meta"} -> {{49659, 75179, 73161}, {"", ""}}, 
   {460.2394, 13.160829, "Meta"} -> {{18113, 26647, 30907}, 
     {"Gln Lys Trp [ C22 H32 N6 O5, db=47.45, overall=23.72 ]", ""}}, 
   {658.292, 13.164111, "Meta"} -> {{65544, 41849, 33572}, {"", ""}}, 
   {210.198, 13.161266, "Meta"} -> {{15999, 22523, 17263}, 
     {"9R-(2-cyclopentenyl)-1-nonanol [ C14 H26 O, db=83.48, overall=41.74, \
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    {{11076, 14279, 14811}, {"", ""}}, {477.3214, 13.175605, "Meta"} -> 
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    {{122956, 66368, 83824}, {"GPEtn(13:0/10:0)[U] [ C28 H56 N O8 P, \
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   {568.4186, 13.170556, "Meta"} -> {{257441, 207122, 176913}, {"", ""}}, 
   {585.4455, 13.17, "Meta"} -> {{169032, 148264, 143830}, {"", ""}}, 
   {396.2874, 13.171314, "Meta"} -> {{193203, 28561, 232700}, 
     {"PGF2alpha isopropyl ester [ C23 H40 O5, db=85.31, overall=42.65, Lipid \
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    {{300362, 221892, 182809}, {"", ""}}, {413.3138, 13.174972, "Meta"} -> 
    {{126398, 88875, 126151}, {"", ""}}, {566.2211, 13.179689, "Meta"} -> 
    {{22038, 17419, 13653}, {"", ""}}, {491.2329, 13.180776, "Meta"} -> 
    {{72939, 86338, 50454}, 
     {"Trp Met Arg [ C22 H33 N7 O4 S, db=87.08, overall=43.54 ]", ""}}, 
   {453.2857, 13.181751, "Meta"} -> {{1440955, 2211317, 905331}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=99.55, overall=49.78, Lipid \
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    {{19730, 21913, 20014}, {"", ""}}, {629.4713, 13.1857195, "Meta"} -> 
    {{295908, 254633, 234768}, {"", ""}}, {612.4449, 13.182668, "Meta"} -> 
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    {{69932, 113776, 71271}, {"", ""}}, {583.3639, 13.184667, "Meta"} -> 
    {{199010, 100205, 211803}, {"", ""}}, {527.3017, 13.189112, "Meta"} -> 
    {{279522, 1, 1}, {"", ""}}, {986.5672, 13.191906, "Meta"} -> 
    {{43469, 101406, 33010}, {"", ""}}, {948.6178, 13.197943, "Meta"} -> 
    {{137136, 657516, 37340}, {"", ""}}, {656.4712, 13.201724, "Meta"} -> 
    {{530791, 389973, 363382}, {"", ""}}, {673.4978, 13.204778, "Meta"} -> 
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    {{23736, 52198, 1}, {"", ""}}, {1052.6062, 13.280134, "Meta"} -> 
    {{239267, 249701, 238067}, {"", ""}}, {1977.24, 13.196, "Meta"} -> 
    {{35106, 70878, 1}, {"", ""}}, {974.6362, 13.249577, "Meta"} -> 
    {{127237, 331165, 34722}, {"", ""}}, {1104.696, 13.221923, "Meta"} -> 
    {{44513, 33635, 26254}, {"", ""}}, {2472.564, 13.195778, "Meta"} -> 
    {{41438, 93999, 1}, {"", ""}}, {700.4977, 13.235683, "Meta"} -> 
    {{82585, 419159, 428312}, {"1,2-dioleoyl-sn-Glycero-3-Phosphate [ C39 H73 \
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   {503.3012, 13.232915, "Meta"} -> {{140484, 46945, 1}, {"", ""}}, 
   {717.5241, 13.237333, "Meta"} -> {{455487, 365276, 376370}, 
     {"GPEtn(18:0/18:1(11Z)) [ C39 H76 N O8 P, db=62.66, overall=31.33, Lipid \
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    {{166451, 246445, 113763}, {"", ""}}, {462.2955, 13.254001, "Meta"} -> 
    {{179508, 130547, 1}, {"", ""}}, {2003.3011, 13.2253895, "Meta"} -> 
    {{613011, 387963, 481621}, {"", ""}}, {2993.9556, 13.221577, "Meta"} -> 
    {{35304, 85936, 1}, {"", ""}}, {2034.2473, 13.227414, "Meta"} -> 
    {{420318, 535593, 266493}, {"", ""}}, {517.302, 13.225831, "Meta"} -> 
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    {{27539, 42698, 29370}, {"", ""}}, {1028.6134, 13.241438, "Meta"} -> 
    {{2049156, 2452766, 1581507}, {"", ""}}, {2514.61, 13.227503, "Meta"} -> 
    {{708971, 1260118, 564536}, {"", ""}}, {2529.5806, 13.227321, "Meta"} -> 
    {{170953, 350647, 1}, {"", ""}}, {1523.9456, 13.230223, "Meta"} -> 
    {{917046, 1278754, 803332}, {"", ""}}, {3009.9429, 13.227229, "Meta"} -> 
    {{262099, 809931, 167617}, {"", ""}}, {1508.4799, 13.223558, "Meta"} -> 
    {{103177, 187284, 64469}, {"", ""}}, {1507.9799, 13.227895, "Meta"} -> 
    {{422225, 1724349, 1037909}, {"", ""}}, {537.2731, 13.229601, "Meta"} -> 
    {{44230, 13607, 35193}, {"", ""}}, {458.2412, 13.234296, "Meta"} -> 
    {{41593, 1, 39597}, 
     {"His Phe Arg [ C21 H30 N8 O4, db=67.47, overall=33.73 ]", ""}}, 
   {2037.2556, 13.228621, "Meta"} -> {{530695, 508695, 324075}, {"", ""}}, 
   {1043.581, 13.234543, "Meta"} -> {{585091, 590695, 378181}, {"", ""}}, 
   {611.2766, 13.222031, "Meta"} -> {{241353, 80975, 276167}, 
     {" [ C33 H41 N O10, db=0.00, overall=26.98, mfg=53.95 ]", ""}}, 
   {1485.998, 13.230372, "Meta"} -> {{342187, 2573523, 178107}, {"", ""}}, 
   {990.6677, 13.217499, "Meta"} -> {{1.5*^7, 5.6*^7, 1}, {"", ""}}, 
   {551.2526, 13.259735, "Meta"} -> {{362463, 281618, 192727}, {"", ""}}, 
   {593.3056, 13.245584, "Meta"} -> {{664407, 789790, 790196}, {"", ""}}, 
   {608.2666, 13.235713, "Meta"} -> {{452201, 369152, 262706}, 
     {"Harderoporphyrin [ C35 H36 N4 O6, db=75.75, overall=37.88, HMP \
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    {{43578, 77128, 33968}, {"", ""}}, {664.2918, 13.251393, "Meta"} -> 
    {{159519, 1, 1}, {"", ""}}, {617.268, 13.263249, "Meta"} -> 
    {{189867, 1, 120571}, {"", ""}}, {577.3247, 13.24794, "Meta"} -> 
    {{222044, 218342, 174768}, {"dihydro-alpha-ergocryptine [ C32 H43 N5 O5, \
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   {548.2549, 13.230686, "Meta"} -> {{174403, 40142, 117580}, {"", ""}}, 
   {495.334, 13.239806, "Meta"} -> {{8.47*^7, 1.14*^8, 8.2*^7}, {"", ""}}, 
   {533.2802, 13.268294, "Meta"} -> {{2240237, 2369927, 1931447}, {"", ""}}, 
   {3057.94, 13.1547, "Meta"} -> {{110559, 53225, 1}, {"", ""}}, 
   {962.6697, 13.260241, "Meta"} -> {{38062, 92343, 33724}, {"", ""}}, 
   {1064.682, 13.263082, "Meta"} -> {{1806336, 2029741, 2289684}, {"", ""}}, 
   {1102.6263, 13.27864, "Meta"} -> {{125625, 63292, 165547}, {"", ""}}, 
   {744.5235, 13.261028, "Meta"} -> {{618127, 52021, 56076}, {"", ""}}, 
   {1597.961, 13.264, "Meta"} -> {{117584, 77430, 145805}, {"", ""}}, 
   {761.5504, 13.260917, "Meta"} -> {{499597, 411836, 405250}, {"", ""}}, 
   {607.2963, 13.30425, "Meta"} -> {{190546, 62986, 1}, {"", ""}}, 
   {2579.5986, 13.264463, "Meta"} -> {{100121, 71378, 1}, {"", ""}}, 
   {1603.9698, 13.194346, "Meta"} -> {{34310, 1, 112323}, {"", ""}}, 
   {2570.6394, 13.279125, "Meta"} -> {{174755, 160641, 134252}, {"", ""}}, 
   {2564.6238, 13.272265, "Meta"} -> {{272098, 363640, 1}, {"", ""}}, 
   {569.3485, 13.265197, "Meta"} -> {{4169741, 1853261, 2287228}, {"", ""}}, 
   {1016.6811, 13.266749, "Meta"} -> {{2224943, 3924912, 870602}, {"", ""}}, 
   {2069.2927, 13.277966, "Meta"} -> {{381149, 447682, 1}, {"", ""}}, 
   {1549.9583, 13.273215, "Meta"} -> {{100420, 174126, 1}, {"", ""}}, 
   {253.2404, 13.272541, "Meta"} -> {{446187, 1, 636340}, {"", ""}}, 
   {1054.6241, 13.305807, "Meta"} -> {{166920, 161670, 163068}, {"", ""}}, 
   {2614.6387, 13.283346, "Meta"} -> {{217674, 334842, 1}, {"", ""}}, 
   {1573.9609, 13.280412, "Meta"} -> {{404427, 399469, 268202}, {"", ""}}, 
   {810.532, 13.281161, "Meta"} -> {{529513, 368670, 370514}, 
     {"GPIns(16:0/16:0) [ C41 H79 O13 P, db=64.98, overall=32.49, Lipid \
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    {{198529, 1, 140327}, {"", ""}}, {805.5764, 13.280774, "Meta"} -> 
    {{474390, 406048, 361719}, {"GPSer(18:0/19:0)[U] [ C43 H84 N O10 P, \
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   {1136.6779, 13.288575, "Meta"} -> {{129108, 75149, 1}, {"", ""}}, 
   {1040.6799, 13.284514, "Meta"} -> {{3930389, 1.09*^7, 1}, {"", ""}}, 
   {1579.9836, 13.29087, "Meta"} -> {{234413, 174509, 132868}, {"", ""}}, 
   {1062.664, 13.296707, "Meta"} -> {{935156, 1380690, 1632586}, {"", ""}}, 
   {2119.3076, 13.245101, "Meta"} -> {{261860, 379411, 1}, {"", ""}}, 
   {1599.9738, 13.3018055, "Meta"} -> {{138581, 150864, 1}, {"", ""}}, 
   {1063.1641, 13.296844, "Meta"} -> {{100523, 84539, 55646}, {"", ""}}, 
   {1066.6967, 13.293614, "Meta"} -> {{1227067, 1678657, 1}, {"", ""}}, 
   {2134.2778, 13.297467, "Meta"} -> {{120116, 1, 65816}, {"", ""}}, 
   {467.3375, 13.291593, "Meta"} -> {{152359, 139237, 181036}, {"", ""}}, 
   {1096.6024, 13.296208, "Meta"} -> {{114180, 122445, 86617}, {"", ""}}, 
   {1093.5978, 13.300689, "Meta"} -> {{168909, 211536, 131796}, {"", ""}}, 
   {501.3666, 13.296033, "Meta"} -> {{180845, 177009, 226485}, {"", ""}}, 
   {1092.1475, 13.2980795, "Meta"} -> {{65103, 76254, 1}, {"", ""}}, 
   {1078.6298, 13.294057, "Meta"} -> {{887275, 688040, 494733}, {"", ""}}, 
   {1623.9762, 13.299394, "Meta"} -> {{310357, 238266, 183782}, {"", ""}}, 
   {1629.9934, 13.309808, "Meta"} -> {{110597, 127807, 1}, {"", ""}}, 
   {849.6027, 13.300112, "Meta"} -> {{449326, 408532, 366624}, {"", ""}}, 
   {1112.6788, 13.280607, "Meta"} -> {{280009, 126477, 1}, {"", ""}}, 
   {545.3477, 13.301525, "Meta"} -> {{1.88*^7, 2.37*^7, 1.32*^7}, {"", ""}}, 
   {832.5762, 13.303964, "Meta"} -> {{598600, 420472, 29032}, {"", ""}}, 
   {583.2962, 13.30914, "Meta"} -> {{1014138, 696158, 647901}, {"", ""}}, 
   {714.3076, 13.313554, "Meta"} -> {{53434, 40933, 34309}, {"", ""}}, 
   {658.283, 13.309391, "Meta"} -> {{124119, 79433, 63967}, {"", ""}}, 
   {598.2697, 13.309324, "Meta"} -> {{83790, 57283, 46179}, {"", ""}}, 
   {601.2686, 13.309152, "Meta"} -> {{148094, 92813, 1}, {"", ""}}, 
   {567.3305, 13.308373, "Meta"} -> {{3356770, 2502039, 2339789}, {"", ""}}, 
   {876.6023, 13.319311, "Meta"} -> {{580381, 468604, 91771}, {"", ""}}, 
   {893.629, 13.319388, "Meta"} -> {{481628, 411338, 406904}, {"", ""}}, 
   {643.3197, 13.312749, "Meta"} -> {{210099, 104590, 151411}, {"", ""}}, 
   {241.2403, 13.322444, "Meta"} -> {{319702, 211802, 467703}, {"", ""}}, 
   {910.6564, 13.324881, "Meta"} -> {{31821, 17285, 29637}, {"", ""}}, 
   {1024.6501, 13.330481, "Meta"} -> {{96043, 1, 36752}, {"", ""}}, 
   {282.2558, 13.331113, "Meta"} -> {{146259, 61557, 116466}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=84.52, overall=42.26, Lipid \
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    {{16610, 16240, 16134}, {"", ""}}, {937.6549, 13.335834, "Meta"} -> 
    {{354330, 311734, 296900}, {"", ""}}, {298.2507, 13.336177, "Meta"} -> 
    {{280966, 111049, 318225}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
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   {328.2012, 13.335937, "Meta"} -> {{151150, 99494, 140002}, 
     {"16beta-Hydroxynorgestrel [ C21 H28 O3, db=66.86, overall=33.43, KEGG \
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    {{51873, 35987, 1}, {"Gestodene metabolite 2 [ C21 H30 O3, db=61.17, \
overall=30.58, KEGG ID=, CAS ID= ]", ""}}, {479.3013, 13.337406, "Meta"} -> 
    {{1340331, 1713297, 856397}, {"GPEtn(18:1(9Z)/0:0) [ C23 H46 N O7 P, \
db=98.52, overall=49.26, Lipid ID=LMGP02050004, KEGG ID= ]", ""}}, 
   {528.3661, 13.33408, "Meta"} -> {{35266, 275861, 275199}, {"", ""}}, 
   {328.2613, 13.336803, "Meta"} -> {{253730, 309425, 278186}, {"", ""}}, 
   {517.2493, 13.338251, "Meta"} -> {{72376, 67039, 41669}, {"", ""}}, 
   {1250.794, 13.402483, "Meta"} -> {{59566, 42405, 71859}, {"", ""}}, 
   {479.8187, 13.336802, "Meta"} -> {{59207, 34879, 51114}, {"", ""}}, 
   {388.2939, 13.338266, "Meta"} -> {{16757, 20793, 24461}, 
     {"1alpha-hydroxy-21-nor-20-oxavitamin D3 / \
1alpha-hydroxy-21-nor-20-oxacholecalciferol [ C25 H40 O3, db=40.90, \
overall=20.45, Lipid ID=LMST03020026, KEGG ID= ]", ""}}, 
   {947.6221, 13.3417425, "Meta"} -> {{65977, 37014, 49692}, {"", ""}}, 
   {301.2679, 13.337848, "Meta"} -> {{119963, 77965, 256214}, {"", ""}}, 
   {284.2354, 13.34189, "Meta"} -> {{210355, 405226, 237933}, 
     {"2-oxo-heptadecanoic acid [ C17 H32 O3, db=85.71, overall=42.86, Lipid \
ID=, KEGG ID= ]", ""}}, {430.3079, 13.34614, "Meta"} -> 
    {{383310, 121286, 246102}, {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=95.43, \
overall=47.71, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {577.27, 13.340281, "Meta"} -> {{35009, 25748, 1}, 
     {" [ C33 H39 N O8, db=0.00, overall=34.88, mfg=69.77 ]", ""}}, 
   {986.6369, 13.352861, "Meta"} -> {{325563, 298376, 203415}, {"", ""}}, 
   {981.6806, 13.352666, "Meta"} -> {{267038, 247022, 186250}, {"", ""}}, 
   {533.3479, 13.338459, "Meta"} -> {{137003, 96233, 1}, {"", ""}}, 
   {1000.6504, 13.355293, "Meta"} -> {{101687, 139482, 1}, {"", ""}}, 
   {1599.9753, 13.409709, "Meta"} -> {{49312, 1, 41014}, {"", ""}}, 
   {268.2401, 13.405736, "Meta"} -> {{859159, 273052, 915056}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=99.54, overall=49.77, Lipid \
ID=LMFA01030060, KEGG ID= ]", ""}}, {589.4191, 13.370656, "Meta"} -> 
    {{247015, 275260, 276374}, {"", ""}}, {523.8448, 13.3705, "Meta"} -> 
    {{73302, 41435, 63769}, {"", ""}}, {594.3745, 13.370138, "Meta"} -> 
    {{242413, 234573, 218141}, {"7,8-Didehydroastaxanthin [ C40 H50 O4, \
db=72.83, overall=36.41, Lipid ID=LMPR01070051, KEGG ID= ]", ""}}, 
   {1025.706, 13.367587, "Meta"} -> {{304063, 242661, 237302}, {"", ""}}, 
   {1581.9897, 13.412071, "Meta"} -> {{72079, 36989, 53503}, {"", ""}}, 
   {1625.9843, 13.380572, "Meta"} -> {{183604, 218500, 1}, {"", ""}}, 
   {1016.6811, 13.3736105, "Meta"} -> {{1058897, 4097373, 544329}, {"", ""}}, 
   {545.8579, 13.391934, "Meta"} -> {{81017, 42756, 60255}, {"", ""}}, 
   {1041.1667, 13.452554, "Meta"} -> {{52338, 1, 1}, {"", ""}}, 
   {2618.6714, 13.380218, "Meta"} -> {{119025, 315903, 121437}, {"", ""}}, 
   {1538.0292, 13.379565, "Meta"} -> {{38222, 122179, 17827}, {"", ""}}, 
   {2123.34, 13.399669, "Meta"} -> {{1340787, 1509538, 1}, {"", ""}}, 
   {1586.5278, 13.398274, "Meta"} -> {{52440, 209013, 1}, {"", ""}}, 
   {1065.18, 13.404373, "Meta"} -> {{200809, 314006, 104020}, {"", ""}}, 
   {1564.0461, 13.391882, "Meta"} -> {{117671, 2256472, 43732}, {"", ""}}, 
   {1042.6969, 13.392434, "Meta"} -> {{1.27*^7, 3.29*^7, 4020824}, {"", ""}}, 
   {2138.309, 13.398957, "Meta"} -> {{540781, 1, 209094}, {"", ""}}, 
   {1586.0273, 13.389183, "Meta"} -> {{995849, 616844, 514609}, {"", ""}}, 
   {543.3173, 13.400834, "Meta"} -> {{160635, 310391, 112772}, {"", ""}}, 
   {1211.6556, 13.401071, "Meta"} -> {{32435, 65823, 1}, {"", ""}}, 
   {1601.9927, 13.398812, "Meta"} -> {{780600, 1254525, 1}, {"", ""}}, 
   {1098.6179, 13.403186, "Meta"} -> {{447773, 517425, 257554}, {"", ""}}, 
   {1095.6132, 13.404236, "Meta"} -> {{531058, 669563, 276433}, {"", ""}}, 
   {577.2687, 13.40871, "Meta"} -> {{330079, 308924, 226582}, 
     {" [ C33 H39 N O8, db=0.00, overall=31.75, mfg=63.50 ]", ""}}, 
   {559.2963, 13.411333, "Meta"} -> {{2915174, 2855853, 2037485}, {"", ""}}, 
   {634.2827, 13.409872, "Meta"} -> {{426276, 375753, 257708}, 
     {"Rescinnamine [ C35 H42 N2 O9, db=64.05, overall=32.02, KEGG ID=C06540, \
CAS ID=24815-24-5 ]", "24815-24-5"}}, {563.2894, 13.41376, "Meta"} -> 
    {{45949, 59730, 42963}, {"", ""}}, {574.2699, 13.414751, "Meta"} -> 
    {{217791, 233912, 123488}, {"", ""}}, {521.3495, 13.403557, "Meta"} -> 
    {{6.39*^7, 1.08*^8, 4.9*^7}, {"", ""}}, {637.2891, 13.414482, "Meta"} -> 
    {{151561, 122703, 132556}, {"", ""}}, {1118.7146, 13.412797, "Meta"} -> 
    {{124231, 102976, 87815}, {"", ""}}, {619.3223, 13.421804, "Meta"} -> 
    {{516033, 678270, 661596}, {"", ""}}, {633.4451, 13.413411, "Meta"} -> 
    {{253085, 265543, 281158}, {"", ""}}, {603.3438, 13.414715, "Meta"} -> 
    {{108723, 62510, 118997}, {"", ""}}, {2560.632, 13.427743, "Meta"} -> 
    {{135265, 200101, 87271}, {"", ""}}, {543.3295, 13.437201, "Meta"} -> 
    {{1.25*^7, 1.5*^7, 1}, {"Arachidonyl lysolecithin [ C28 H50 N O7 P, \
db=68.32, overall=34.16, KEGG ID=, CAS ID=63163-02-0 ]", "63163-02-0"}}, 
   {1135.743, 13.422143, "Meta"} -> {{93208, 52697, 74206}, {"", ""}}, 
   {690.3105, 13.4258585, "Meta"} -> {{222028, 173365, 136321}, {"", ""}}, 
   {1501.9677, 13.427439, "Meta"} -> {{28378, 92548, 40987}, {"", ""}}, 
   {2039.2827, 13.429742, "Meta"} -> {{86254, 89885, 59723}, {"", ""}}, 
   {958.6393, 13.429195, "Meta"} -> {{309871, 542028, 263498}, {"", ""}}, 
   {1162.74, 13.429583, "Meta"} -> {{79446, 74592, 54688}, {"", ""}}, 
   {1517.9358, 13.433, "Meta"} -> {{97766, 79727, 70810}, {"", ""}}, 
   {346.283, 13.424243, "Meta"} -> {{35418, 31714, 108426}, {"", ""}}, 
   {475.2383, 13.436575, "Meta"} -> {{46445, 49502, 59988}, {"", ""}}, 
   {996.5873, 13.434169, "Meta"} -> {{126135, 103838, 128062}, {"", ""}}, 
   {437.2908, 13.436001, "Meta"} -> {{1378744, 1635438, 1293974}, {"", ""}}, 
   {1174.8127, 13.437468, "Meta"} -> {{54063, 32964, 46777}, 
     {"Ganglioside GA2 (d18:1/24:1(15Z)) [ C62 H114 N2 O18, db=63.68, \
overall=31.84, HMP ID=HMDB04894, KEGG ID= ]", ""}}, 
   {356.2326, 13.443095, "Meta"} -> {{58645, 55168, 107799}, 
     {"Estradiol valerate [ C23 H32 O3, db=76.14, overall=38.07, Lipid \
ID=LMST02010039, KEGG ID=C12859 ]", ""}}, {286.2508, 13.444126, "Meta"} -> 
    {{362218, 197655, 165249}, {"2-hydroxy-heptadecanoic acid [ C17 H34 O3, \
db=69.59, overall=34.80, Lipid ID=, KEGG ID= ]", ""}}, 
   {682.4267, 13.444629, "Meta"} -> {{229969, 1, 1}, {"", ""}}, 
   {660.4455, 13.46008, "Meta"} -> {{32483, 290097, 166158}, {"", ""}}, 
   {677.4712, 13.445686, "Meta"} -> {{249512, 287997, 256784}, {"", ""}}, 
   {1589.9924, 13.468614, "Meta"} -> {{55489, 150713, 1}, {"", ""}}, 
   {582.434, 13.44971, "Meta"} -> {{90236, 60859, 50769}, {"", ""}}, 
   {1201.8121, 13.446374, "Meta"} -> {{144014, 120185, 113231}, {"", ""}}, 
   {1218.8394, 13.450121, "Meta"} -> {{34874, 36702, 37581}, {"", ""}}, 
   {643.4868, 13.455331, "Meta"} -> {{135857, 127974, 107244}, {"", ""}}, 
   {787.504, 13.456806, "Meta"} -> {{330969, 254295, 180157}, {"", ""}}, 
   {360.1684, 13.446973, "Meta"} -> {{146759, 77818, 90503}, {"", ""}}, 
   {298.2508, 13.4529085, "Meta"} -> {{217257, 114612, 255983}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=76.83, overall=38.42, \
Lipid ID=, KEGG ID= ]", ""}}, {328.1422, 13.449487, "Meta"} -> 
    {{530445, 203445, 239196}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=59.63, overall=29.81 ]", ""}}, 
   {626.4605, 13.455713, "Meta"} -> {{179273, 152306, 124381}, {"", ""}}, 
   {529.3166, 13.445241, "Meta"} -> {{81244, 1, 35909}, {"", ""}}, 
   {298.132, 13.452121, "Meta"} -> {{128927, 1, 43475}, {"", ""}}, 
   {210.1979, 13.462029, "Meta"} -> {{51869, 30487, 44060}, 
     {"9R-(2-cyclopentenyl)-1-nonanol [ C14 H26 O, db=80.27, overall=40.13, \
Lipid ID=, KEGG ID= ]", ""}}, {228.2088, 13.461361, "Meta"} -> 
    {{280672, 163904, 224312}, {"4,8-dimethyl-dodecanoic acid [ C14 H28 O2, \
db=97.16, overall=48.58, KEGG ID=, CAS ID= ]", ""}}, 
   {242.2246, 13.461306, "Meta"} -> {{156834, 116704, 145645}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=84.34, overall=42.17, KEGG ID=, \
CAS ID= ]", ""}}, {326.1768, 13.462116, "Meta"} -> 
    {{136850, 75939, 117857}, {"", ""}}, {386.1997, 13.462514, "Meta"} -> 
    {{86090, 44896, 69645}, {"Sufentanil [ C22 H30 N2 O2 S, db=68.01, \
overall=34.01, KEGG ID=C08022, CAS ID=56030-54-7 ]", "56030-54-7"}}, 
   {1262.8665, 13.464781, "Meta"} -> {{48508, 147943, 32791}, {"", ""}}, 
   {373.1689, 13.462395, "Meta"} -> {{67035, 26766, 39393}, {"", ""}}, 
   {687.5133, 13.464694, "Meta"} -> {{257256, 240540, 182394}, {"", ""}}, 
   {670.4869, 13.464749, "Meta"} -> {{349909, 314222, 228937}, {"", ""}}, 
   {282.2192, 13.465608, "Meta"} -> {{136528, 123005, 116148}, 
     {"12S-hydroxy-16-heptadecynoic acid [ C17 H30 O3, db=84.60, \
overall=42.30, Lipid ID=, KEGG ID= ]", ""}}, {889.4821, 13.472444, "Meta"} -> 
    {{78027, 61763, 41183}, {"", ""}}, {1068.6482, 13.486214, "Meta"} -> 
    {{74611, 137076, 34311}, {"", ""}}, {294.2173, 13.475067, "Meta"} -> 
    {{46809, 31778, 42907}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, \
db=67.17, overall=33.58, Lipid ID=, KEGG ID= ]", ""}}, 
   {721.4973, 13.473999, "Meta"} -> {{248340, 257416, 209651}, {"", ""}}, 
   {322.2483, 13.518925, "Meta"} -> {{55960, 1, 42316}, 
     {"5(S)-HETrE [ C20 H34 O3, db=45.60, overall=22.80, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {714.513, 13.474778, "Meta"} -> 
    {{537356, 482071, 372789}, {"", ""}}, {726.453, 13.474451, "Meta"} -> 
    {{214305, 223505, 158950}, {"", ""}}, {731.5396, 13.474721, "Meta"} -> 
    {{401579, 381816, 320516}, {"GPEtnNMe(16:0/18:1(9Z))[U] [ C40 H78 N O8 P, \
db=63.14, overall=31.57, Lipid ID=LMGP02010335, KEGG ID= ]", ""}}, 
   {346.1525, 13.466243, "Meta"} -> {{225067, 94662, 120747}, {"", ""}}, 
   {1306.8907, 13.478, "Meta"} -> {{31189, 1, 28273}, {"", ""}}, 
   {779.9911, 13.482259, "Meta"} -> {{27423, 120661, 1}, {"", ""}}, 
   {426.2963, 13.498375, "Meta"} -> {{24489, 1, 41513}, 
     {"GPCho(O-6:0/O-6:0) [ C20 H45 N O6 P, db=69.94, overall=34.97, Lipid \
ID=LMGP01040078, KEGG ID= ]", ""}}, {775.5658, 13.486027, "Meta"} -> 
    {{530941, 502393, 414619}, {"", ""}}, {439.306, 13.489087, "Meta"} -> 
    {{290162, 451224, 291843}, {"", ""}}, {758.539, 13.485962, "Meta"} -> 
    {{733120, 628709, 1}, {"", ""}}, {368.1336, 13.48364, "Meta"} -> 
    {{159001, 52893, 77906}, {"", ""}}, {283.108, 13.4861145, "Meta"} -> 
    {{479865, 152239, 120273}, {"", ""}}, {648.2967, 13.495222, "Meta"} -> 
    {{30814, 50183, 25501}, {"", ""}}, {819.592, 13.497973, "Meta"} -> 
    {{597085, 517054, 490437}, {"", ""}}, {802.5656, 13.49772, "Meta"} -> 
    {{707660, 646062, 483095}, {"1-heptadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetra\
enoyl)-sn-glycero-3-phospho-(1'-rac-glycerol) [ C43 H81 N O10 P, db=70.84, \
overall=35.42, KEGG ID=, CAS ID= ]", ""}}, {479.337, 13.495556, "Meta"} -> 
    {{6982196, 1.41*^7, 4746597}, {"", ""}}, 
   {1165.6327, 13.499093, "Meta"} -> {{72307, 1, 31480}, {"", ""}}, 
   {1151.618, 13.505199, "Meta"} -> {{92003, 216232, 1}, {"", ""}}, 
   {988.6857, 13.50629, "Meta"} -> {{26865, 349609, 20679}, {"", ""}}, 
   {339.2883, 13.506903, "Meta"} -> {{169660, 160443, 268985}, {"", ""}}, 
   {517.285, 13.498918, "Meta"} -> {{252335, 332541, 209572}, {"", ""}}, 
   {765.5234, 13.503918, "Meta"} -> {{198412, 199589, 156674}, {"", ""}}, 
   {1399.899, 13.508409, "Meta"} -> {{56665, 1, 39028}, {"", ""}}, 
   {1050.7004, 13.5051985, "Meta"} -> {{34815, 410219, 1}, {"", ""}}, 
   {1026.6353, 13.507728, "Meta"} -> {{34686, 85279, 1}, {"", ""}}, 
   {1092.7122, 13.491323, "Meta"} -> {{57501, 368604, 1}, {"", ""}}, 
   {477.1903, 13.515063, "Meta"} -> {{197712, 48273, 76296}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=52.47, overall=26.23, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {279.2562, 13.510799, "Meta"} -> 
    {{1789851, 1, 1214591}, {"", ""}}, {1123.622, 13.4977045, "Meta"} -> 
    {{47607, 89003, 28306}, {"", ""}}, {598.2433, 13.509795, "Meta"} -> 
    {{97057, 38419, 44902}, {"", ""}}, {846.5917, 13.509481, "Meta"} -> 
    {{815558, 130193, 51392}, {"", ""}}, {863.6182, 13.510503, "Meta"} -> 
    {{609519, 678034, 517989}, {"C22 Sulfatide [ C46 H89 N O11 S, db=87.95, \
overall=43.97, Lipid ID=LMSP06020009, KEGG ID= ]", ""}}, 
   {885.5996, 13.517038, "Meta"} -> {{84627, 1, 73287}, {"", ""}}, 
   {612.2584, 13.509334, "Meta"} -> {{851839, 417905, 429486}, {"", ""}}, 
   {580.2323, 13.509277, "Meta"} -> {{1150773, 633957, 553739}, {"", ""}}, 
   {547.2957, 13.523854, "Meta"} -> {{114518, 309852, 63728}, {"", ""}}, 
   {644.2847, 13.51143, "Meta"} -> {{1775517, 1, 948636}, {"", ""}}, 
   {509.3475, 13.52603, "Meta"} -> {{2884585, 1.14*^7, 1385658}, {"", ""}}, 
   {658.2652, 13.513304, "Meta"} -> {{161977, 60752, 83906}, {"", ""}}, 
   {607.3208, 13.524964, "Meta"} -> {{33735, 152388, 1}, {"", ""}}, 
   {907.6449, 13.525166, "Meta"} -> {{650273, 709398, 518683}, 
     {"3-O-Sulfogalactosylceramide [ C48 H93 N O12 S, db=86.45, \
overall=43.23, HMP ID=HMDB00024, KEGG ID= ]", ""}}, 
   {890.6182, 13.524207, "Meta"} -> {{921616, 1, 515081}, {"", ""}}, 
   {720.3006, 13.519515, "Meta"} -> {{112205, 49582, 42153}, {"", ""}}, 
   {672.2796, 13.517088, "Meta"} -> {{660741, 317364, 322281}, {"", ""}}, 
   {571.3639, 13.521864, "Meta"} -> {{2245396, 4227507, 1081171}, {"", ""}}, 
   {354.2171, 13.571854, "Meta"} -> {{28240, 53098, 1}, 
     {"Levonorgestrel acetate [ C23 H30 O3, db=64.58, overall=32.29, KEGG \
ID=, CAS ID=13732-69-9 ]", "13732-69-9"}}, {814.5046, 13.536868, "Meta"} -> 
    {{168794, 1, 99441}, {"", ""}}, {809.5497, 13.531092, "Meta"} -> 
    {{167710, 158893, 116317}, {"", ""}}, {734.3164, 13.525888, "Meta"} -> 
    {{266561, 146173, 123846}, {"", ""}}, {299.2825, 13.542036, "Meta"} -> 
    {{28810, 60653, 1}, {"3-Dehydrosphinganine [ C18 H37 N O2, db=93.67, \
overall=46.83, KEGG ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {706.3211, 13.528087, "Meta"} -> {{129709, 68954, 58017}, {"", ""}}, 
   {1369.8884, 13.563042, "Meta"} -> {{53154, 55982, 1}, {"", ""}}, 
   {934.6437, 13.537066, "Meta"} -> {{626218, 76129, 434187}, {"", ""}}, 
   {951.6706, 13.535638, "Meta"} -> {{648410, 765085, 680471}, {"", ""}}, 
   {395.3035, 13.538113, "Meta"} -> {{80558, 167822, 78590}, {"", ""}}, 
   {400.2588, 13.538917, "Meta"} -> {{241974, 442872, 237048}, 
     {"Ophiobolin A [ C25 H36 O4, db=54.29, overall=27.15, Lipid \
ID=LMPR01050002, KEGG ID=C09145 ]", ""}}, {452.2451, 13.542232, "Meta"} -> 
    {{58087, 146494, 47335}, {"Diphenoxylate [ C30 H32 N2 O2, db=83.13, \
overall=41.56, KEGG ID=C07872, CAS ID=915-30-0 ]", "915-30-0"}}, 
   {354.2765, 13.544889, "Meta"} -> {{364032, 4013290, 1272837}, 
     {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 O4, db=86.35, \
overall=43.17, KEGG ID=, CAS ID= ]", ""}}, {491.2062, 13.533772, "Meta"} -> 
    {{110175, 110669, 56678}, 
     {"Tyr Phe Tyr [ C27 H29 N3 O6, db=57.52, overall=28.76 ]", ""}}, 
   {414.3093, 13.543919, "Meta"} -> {{95668, 343903, 98554}, {"", ""}}, 
   {371.3036, 13.545373, "Meta"} -> {{425277, 1122937, 361270}, {"", ""}}, 
   {1000.6522, 13.561621, "Meta"} -> {{636207, 1, 454973}, {"", ""}}, 
   {995.6966, 13.547221, "Meta"} -> {{556194, 561438, 431904}, {"", ""}}, 
   {262.2296, 13.545572, "Meta"} -> {{117398, 239523, 101192}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=92.20, overall=46.10, Lipid \
ID=, KEGG ID= ]", ""}}, {396.2665, 13.645791, "Meta"} -> 
    {{14304, 1, 1}, {"", ""}}, {508.8397, 13.549695, "Meta"} -> 
    {{169876, 132669, 139625}, {"", ""}}, {1022.6367, 13.552206, "Meta"} -> 
    {{193592, 119145, 114600}, {"", ""}}, {267.2559, 13.55222, "Meta"} -> 
    {{267951, 274346, 399631}, {"", ""}}, {853.5758, 13.555092, "Meta"} -> 
    {{140251, 105355, 82006}, {"", ""}}, {501.2539, 13.558999, "Meta"} -> 
    {{49394, 63894, 53573}, {"", ""}}, {858.5316, 13.556654, "Meta"} -> 
    {{135519, 98795, 61352}, {"", ""}}, {1028.648, 13.573232, "Meta"} -> 
    {{33702, 144380, 11302}, {"", ""}}, {837.5203, 13.564915, "Meta"} -> 
    {{64494, 27116, 1}, {"", ""}}, {519.8613, 13.559681, "Meta"} -> 
    {{49177, 1, 619980}, {"", ""}}, {1056.7491, 13.56075, "Meta"} -> 
    {{135945, 100748, 134911}, {"", ""}}, {530.8529, 13.562063, "Meta"} -> 
    {{214260, 149095, 155287}, {"", ""}}, {463.3064, 13.56053, "Meta"} -> 
    {{1644797, 1267534, 1355567}, {"", ""}}, {334.1441, 13.569034, "Meta"} -> 
    {{151862, 52295, 80334}, 
     {"Arg Cys Gly [ C11 H22 N6 O4 S, db=50.72, overall=25.36 ]", ""}}, 
   {376.1987, 13.568419, "Meta"} -> {{148462, 67315, 133300}, 
     {"Glu Thr Lys [ C15 H28 N4 O7, db=67.35, overall=33.68 ]", ""}}, 
   {316.1717, 13.568858, "Meta"} -> {{75030, 37690, 67726}, 
     {"Ala Asn Leu [ C13 H24 N4 O5, db=54.09, overall=27.05 ]", ""}}, 
   {278.2244, 13.568999, "Meta"} -> {{863657, 389401, 596273}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=86.05, overall=43.02, Lipid \
ID=LMFA01030148, KEGG ID= ]", ""}}, {295.2523, 13.578938, "Meta"} -> 
    {{597450, 1, 397293}, {"", ""}}, {1088.7043, 13.572557, "Meta"} -> 
    {{250677, 288545, 195680}, {"", ""}}, {1110.6956, 13.577559, "Meta"} -> 
    {{197832, 1, 119434}, {"", ""}}, {960.6902, 13.570629, "Meta"} -> 
    {{28611, 179441, 1}, {"", ""}}, {902.5572, 13.5793, "Meta"} -> 
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     {"Androsterone [ C19 H30 O2, db=84.81, overall=42.40, KEGG ID=C00523, \
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   {745.5551, 13.695362, "Meta"} -> {{205358, 177512, 153358}, 
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    {{94672, 97693, 132807}, {"Hydrocortisone butyrate propionate [ C28 H40 \
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    {{135019, 65543, 97562}, {"Thermozeaxanthin-17/ Zeaxanthin glucoside \
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ID=301-02-0 ]", "301-02-0"}}, {1467.0009, 13.8062, "Meta"} -> 
    {{133369, 81853, 15105}, {"", ""}}, {312.3138, 13.81286, "Meta"} -> 
    {{70378, 35031, 104903}, {"", ""}}, {841.5513, 13.813585, "Meta"} -> 
    {{322966, 500405, 270512}, {"", ""}}, {401.3155, 13.8185835, "Meta"} -> 
    {{111530, 1, 1}, {"", ""}}, {326.3296, 13.8149185, "Meta"} -> 
    {{209996, 121944, 311509}, {"", ""}}, {856.5198, 13.818584, "Meta"} -> 
    {{79388, 42464, 56920}, {"", ""}}, {1511.0262, 13.81507, "Meta"} -> 
    {{108233, 69831, 1}, {"", ""}}, {376.2038, 13.804546, "Meta"} -> 
    {{369350, 1, 16389}, {"fluorometholone [ C22 H29 F O4, db=59.20, \
overall=29.60, KEGG ID=, CAS ID=426-13-1 ]", "426-13-1"}}, 
   {887.643, 13.824824, "Meta"} -> {{28452, 174033, 1}, {"", ""}}, 
   {262.2296, 13.822443, "Meta"} -> {{94980, 64754, 81942}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=86.48, overall=43.24, Lipid \
ID=, KEGG ID= ]", ""}}, {1555.054, 13.823677, "Meta"} -> 
    {{81765, 48112, 78459}, {"", ""}}, {1599.0771, 13.82784, "Meta"} -> 
    {{73592, 1, 54791}, {"", ""}}, {393.1754, 13.824646, "Meta"} -> 
    {{142664, 61804, 84255}, 
     {"Thr His His [ C16 H23 N7 O5, db=62.69, overall=31.35 ]", ""}}, 
   {280.2402, 13.821678, "Meta"} -> {{1568048, 571100, 734828}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.73, overall=42.36, \
Lipid ID=, KEGG ID= ]", ""}}, {404.272, 13.831084, "Meta"} -> 
    {{39448, 1, 30762}, {"", ""}}, {318.1871, 13.828527, "Meta"} -> 
    {{107146, 52742, 92915}, {"", ""}}, {336.1598, 13.82475, "Meta"} -> 
    {{319586, 145973, 206626}, {"", ""}}, {742.5544, 13.829965, "Meta"} -> 
    {{13666, 40255, 1}, {"", ""}}, {264.2449, 13.830167, "Meta"} -> 
    {{71879, 128819, 86578}, {"9,12-octadecadienal [ C18 H32 O, db=93.91, \
overall=46.95, Lipid ID=, KEGG ID= ]", ""}}, {362.2315, 13.826858, "Meta"} -> 
    {{62069, 33656, 45948}, {"", ""}}, {637.5649, 13.826834, "Meta"} -> 
    {{52909, 185236, 44581}, {"", ""}}, {1604.0345, 13.831274, "Meta"} -> 
    {{101393, 76709, 1}, {"", ""}}, {917.6042, 13.830849, "Meta"} -> 
    {{43296, 224344, 45643}, {"", ""}}, {454.2603, 13.837749, "Meta"} -> 
    {{47678, 128305, 31746}, {"18-acetoxy-PGF2alpha-11-acetate [ C24 H38 O8, \
db=67.62, overall=33.81, Lipid ID=LMFA03010098, KEGG ID= ]", ""}}, 
   {1643.1019, 13.833906, "Meta"} -> {{56417, 40836, 49602}, {"", ""}}, 
   {356.2921, 13.832834, "Meta"} -> {{1259706, 4228408, 1003786}, 
     {"1-(11E-octadecenoyl)-rac-glycerol [ C21 H40 O4, db=98.15, \
overall=49.07, KEGG ID=, CAS ID= ]", ""}}, {416.3249, 13.833222, "Meta"} -> 
    {{44987, 245763, 53108}, {"", ""}}, {296.2716, 13.837235, "Meta"} -> 
    {{1093305, 1572796, 1618832}, {"10-methylene-octadecanoic acid [ C19 H36 \
O2, db=78.33, overall=39.16, Lipid ID=, KEGG ID= ]", ""}}, 
   {595.554, 13.834362, "Meta"} -> {{260705, 204381, 305614}, {"", ""}}, 
   {331.3083, 13.839138, "Meta"} -> {{28246, 35377, 29232}, {"", ""}}, 
   {1648.0614, 13.838582, "Meta"} -> {{83174, 52828, 38990}, {"", ""}}, 
   {314.2819, 13.838939, "Meta"} -> {{881628, 880125, 1228886}, 
     {"2-hydroxy-nonadecanoic acid [ C19 H38 O3, db=79.99, overall=40.00, \
Lipid ID=, KEGG ID= ]", ""}}, {359.3394, 13.840835, "Meta"} -> 
    {{23173, 47827, 39990}, {"", ""}}, {550.5438, 13.840639, "Meta"} -> 
    {{86709, 44645, 80336}, {"", ""}}, {345.3232, 13.839605, "Meta"} -> 
    {{12126, 14704, 15277}, {"", ""}}, {351.3135, 13.836865, "Meta"} -> 
    {{16305, 18109, 14511}, {"Anandamide (20:2, n-6) [ C22 H41 N O2, \
db=87.77, overall=43.88, Lipid ID=LMFA08040002, KEGG ID= ]", ""}}, 
   {589.5048, 13.843435, "Meta"} -> {{36245, 83542, 1}, {"", ""}}, 
   {593.5384, 13.859751, "Meta"} -> {{56830, 34423, 18791}, {"", ""}}, 
   {486.3916, 13.846743, "Meta"} -> {{128475, 46998, 78143}, {"", ""}}, 
   {269.2717, 13.850058, "Meta"} -> {{176162, 172749, 289371}, {"", ""}}, 
   {958.5066, 13.858265, "Meta"} -> {{26176, 135562, 24701}, {"", ""}}, 
   {312.2662, 13.867914, "Meta"} -> {{466770, 693002, 335141}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=84.87, overall=42.44, Lipid \
ID=, KEGG ID= ]", ""}}, {376.1632, 13.867001, "Meta"} -> 
    {{258693, 73045, 90748}, {"", ""}}, {875.5037, 13.871608, "Meta"} -> 
    {{37771, 1, 24154}, {"", ""}}, {807.4806, 13.867861, "Meta"} -> 
    {{443956, 1507583, 226032}, {"", ""}}, {268.2402, 13.870259, "Meta"} -> 
    {{17515, 41402, 18074}, {"9-heptadecylenic acid [ C17 H32 O2, db=81.99, \
overall=40.99, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {360.1681, 13.864379, "Meta"} -> {{128257, 46450, 1}, 
     {"Leu Asn Asp [ C14 H24 N4 O7, db=34.15, overall=17.08 ]", ""}}, 
   {914.4793, 13.871298, "Meta"} -> {{20977, 61941, 28552}, {"", ""}}, 
   {418.1739, 13.870945, "Meta"} -> {{136291, 80823, 127976}, 
     {"Nimodipine [ C21 H26 N2 O7, db=61.54, overall=30.77, KEGG ID=C07267, \
CAS ID=66085-59-4 ]", "66085-59-4"}}, {662.2484, 13.876678, "Meta"} -> 
    {{99942, 74376, 122915}, {"", ""}}, {1103.5966, 13.872333, "Meta"} -> 
    {{364906, 1761646, 68950}, {"", ""}}, {346.1531, 13.871804, "Meta"} -> 
    {{262034, 700180, 487930}, {"", ""}}, {390.1788, 13.869486, "Meta"} -> 
    {{634738, 419164, 442151}, 
     {"Asp Lys Glu [ C15 H26 N4 O8, db=62.57, overall=31.29 ]", ""}}, 
   {1153.6309, 13.874, "Meta"} -> {{62478, 212897, 34358}, {"", ""}}, 
   {328.1421, 13.873054, "Meta"} -> {{546677, 325026, 307087}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=67.54, overall=33.77 ]", ""}}, 
   {357.3227, 13.877501, "Meta"} -> {{16245, 35716, 1}, {"", ""}}, 
   {294.0996, 13.875195, "Meta"} -> {{220606, 146293, 161183}, {"", ""}}, 
   {1135.623, 13.873161, "Meta"} -> {{56871, 197953, 1}, {"", ""}}, 
   {239.1157, 13.8723, "Meta"} -> {{41054, 34128, 24043}, {"", ""}}, 
   {1189.6305, 13.875001, "Meta"} -> {{67890, 37237, 1}, {"", ""}}, 
   {420.1898, 13.874806, "Meta"} -> {{31421, 24285, 24662}, 
     {"Gln His His [ C17 H24 N8 O5, db=42.13, overall=21.06 ]", ""}}, 
   {670.265, 13.873167, "Meta"} -> {{84748, 1418212, 1244057}, {"", ""}}, 
   {580.2324, 13.874638, "Meta"} -> {{8547135, 6307066, 4978423}, {"", ""}}, 
   {640.2526, 13.874076, "Meta"} -> {{276202, 159177, 162897}, {"", ""}}, 
   {612.2593, 13.875, "Meta"} -> {{4002885, 3972067, 3698367}, {"", ""}}, 
   {644.284, 13.875222, "Meta"} -> {{1.38*^7, 9466748, 8347318}, {"", ""}}, 
   {1180.491, 13.877401, "Meta"} -> {{163545, 1, 56038}, {"", ""}}, 
   {1254.532, 13.877502, "Meta"} -> {{44254, 116764, 13486}, {"", ""}}, 
   {864.3481, 13.876028, "Meta"} -> {{376279, 193594, 219632}, {"", ""}}, 
   {282.1003, 13.8762245, "Meta"} -> {{1200468, 735617, 794251}, {"", ""}}, 
   {706.3213, 13.875223, "Meta"} -> {{879094, 575137, 469916}, {"", ""}}, 
   {1242.5096, 13.876581, "Meta"} -> {{71333, 53692, 1}, {"", ""}}, 
   {582.2468, 13.8751, "Meta"} -> {{8259309, 1, 4468020}, 
     {"Biliverdin IX [ C33 H34 N4 O6, db=45.81, overall=22.91, HMP \
ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", " 114-25-0"}}, 
   {896.3746, 13.876728, "Meta"} -> {{439012, 184693, 220935}, {"", ""}}, 
   {720.3007, 13.875195, "Meta"} -> {{653013, 385151, 316500}, {"", ""}}, 
   {908.3734, 13.876348, "Meta"} -> {{181805, 108562, 93152}, {"", ""}}, 
   {636.1519, 13.87985, "Meta"} -> {{116267, 75114, 59864}, {"", ""}}, 
   {943.4197, 13.876037, "Meta"} -> {{195917, 123631, 91368}, {"", ""}}, 
   {1192.4886, 13.875974, "Meta"} -> {{1907038, 80686, 768323}, {"", ""}}, 
   {1226.5306, 13.877594, "Meta"} -> {{2858136, 259302, 172795}, {"", ""}}, 
   {314.1267, 13.875557, "Meta"} -> {{1329116, 866495, 883147}, {"", ""}}, 
   {748.2959, 13.87564, "Meta"} -> {{274233, 148682, 117429}, {"", ""}}, 
   {734.3167, 13.875916, "Meta"} -> {{1841376, 1105833, 868407}, {"", ""}}, 
   {970.4116, 13.876899, "Meta"} -> {{232521, 124696, 93605}, {"", ""}}, 
   {867.3674, 13.8762865, "Meta"} -> {{525712, 257979, 211574}, {"", ""}}, 
   {926.3857, 13.876266, "Meta"} -> {{437113, 206336, 1}, {"", ""}}, 
   {583.2517, 13.87564, "Meta"} -> {{3795329, 3357484, 2055583}, {"", ""}}, 
   {956.396, 13.876835, "Meta"} -> {{273216, 124474, 84842}, {"", ""}}, 
   {676.308, 13.876473, "Meta"} -> {{194608, 154249, 102546}, {"", ""}}, 
   {929.4038, 13.876501, "Meta"} -> {{260028, 128090, 1}, {"", ""}}, 
   {672.2801, 13.875572, "Meta"} -> {{3802487, 1, 1}, {"", ""}}, 
   {493.2209, 13.875945, "Meta"} -> {{458791, 316214, 306534}, {"", ""}}, 
   {658.2643, 13.874903, "Meta"} -> {{882219, 509295, 1}, {"", ""}}, 
   {1151.4832, 13.877482, "Meta"} -> {{137050, 43454, 47500}, {"", ""}}, 
   {961.4299, 13.877784, "Meta"} -> {{84070, 36299, 38596}, {"", ""}}, 
   {912.4054, 13.877669, "Meta"} -> {{685350, 411196, 278064}, {"", ""}}, 
   {762.3116, 13.876194, "Meta"} -> {{942833, 545014, 438980}, {"", ""}}, 
   {975.4451, 13.8780365, "Meta"} -> {{118082, 67590, 50222}, {"", ""}}, 
   {509.216, 13.87594, "Meta"} -> {{106533, 69919, 69867}, {"", ""}}, 
   {491.2056, 13.876723, "Meta"} -> {{461655, 342193, 340821}, 
     {"Tyr Phe Tyr [ C27 H29 N3 O6, db=65.06, overall=32.53 ]", ""}}, 
   {881.3826, 13.877259, "Meta"} -> {{100463, 49572, 39426}, {"", ""}}, 
   {1193.664, 13.879387, "Meta"} -> {{62598, 234559, 1}, {"", ""}}, 
   {582.7497, 13.876502, "Meta"} -> {{2297517, 491790, 667280}, {"", ""}}, 
   {495.208, 13.876967, "Meta"} -> {{98173, 47850, 56477}, 
     {"Trp Tyr Gln [ C25 H29 N5 O6, db=56.92, overall=28.46 ]", ""}}, 
   {616.2538, 13.877678, "Meta"} -> {{212032, 131481, 137788}, {"", ""}}, 
   {479.205, 13.876445, "Meta"} -> {{110548, 79403, 70196}, 
     {"Nicardipine [ C26 H29 N3 O6, db=70.81, overall=35.41, KEGG ID=C07264, \
CAS ID=55985-32-5 ]", "55985-32-5"}}, {878.365, 13.876516, "Meta"} -> 
    {{50922, 23668, 23243}, {"", ""}}, {567.2211, 13.876649, "Meta"} -> 
    {{303828, 171604, 160658}, {"", ""}}, {644.7861, 13.877095, "Meta"} -> 
    {{120136, 1, 1}, {"", ""}}, {461.195, 13.876152, "Meta"} -> 
    {{63733, 38463, 36550}, 
     {"Gln Trp Glu [ C21 H27 N5 O7, db=34.78, overall=17.39 ]", ""}}, 
   {298.1317, 13.878472, "Meta"} -> {{1335949, 615722, 765744}, {"", ""}}, 
   {352.1394, 13.880392, "Meta"} -> {{68071, 39372, 1}, 
     {"Asn Tyr Gly [ C15 H20 N4 O6, db=68.82, overall=34.41 ]", ""}}, 
   {284.1158, 13.879252, "Meta"} -> {{812617, 407502, 491171}, {"", ""}}, 
   {477.1898, 13.879307, "Meta"} -> {{315016, 206604, 218143}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=74.18, overall=37.09, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {833.4963, 13.885234, "Meta"} -> 
    {{56940, 201977, 1}, {"", ""}}, {1045.5562, 13.8920965, "Meta"} -> 
    {{24116, 127400, 64723}, {"", ""}}, {1095.5912, 13.892453, "Meta"} -> 
    {{49837, 75790, 34441}, {"", ""}}, {1048.5735, 13.892926, "Meta"} -> 
    {{36187, 87058, 1}, {"", ""}}, {779.4516, 13.885543, "Meta"} -> 
    {{26883, 51395, 1}, {"", ""}}, {918.6492, 13.8966, "Meta"} -> 
    {{462443, 422082, 314942}, {"", ""}}, {935.6756, 13.895752, "Meta"} -> 
    {{363247, 366267, 283605}, {"", ""}}, {891.6496, 13.895306, "Meta"} -> 
    {{269228, 266717, 216786}, {"C24 Sulfatide [ C48 H93 N O11 S, db=88.42, \
overall=44.21, Lipid ID=LMSP06020013, KEGG ID= ]", ""}}, 
   {749.4387, 13.89454, "Meta"} -> {{44817, 74641, 1}, {"", ""}}, 
   {830.5967, 13.895909, "Meta"} -> {{236811, 200648, 160460}, {"", ""}}, 
   {847.6232, 13.896607, "Meta"} -> {{178817, 180261, 124716}, {"", ""}}, 
   {979.702, 13.896585, "Meta"} -> {{432376, 447008, 367093}, {"", ""}}, 
   {1050.7274, 13.9000435, "Meta"} -> {{44062, 1, 348730}, {"", ""}}, 
   {1028.6847, 13.898851, "Meta"} -> {{488461, 506844, 319955}, {"", ""}}, 
   {984.6579, 13.897518, "Meta"} -> {{583126, 478698, 346805}, {"", ""}}, 
   {1023.7278, 13.898656, "Meta"} -> {{451145, 490904, 348880}, {"", ""}}, 
   {962.6753, 13.896331, "Meta"} -> {{47941, 83353, 35928}, {"", ""}}, 
   {803.597, 13.898972, "Meta"} -> {{97345, 95863, 91642}, {"", ""}}, 
   {1006.7014, 13.900152, "Meta"} -> {{33860, 34603, 19212}, {"", ""}}, 
   {1067.7542, 13.901264, "Meta"} -> {{456637, 483043, 360693}, {"", ""}}, 
   {1094.7538, 13.901059, "Meta"} -> {{32779, 486265, 21448}, {"", ""}}, 
   {465.3222, 13.902696, "Meta"} -> {{914465, 3237336, 923985}, {"", ""}}, 
   {1138.7803, 13.90453, "Meta"} -> {{28496, 32809, 255588}, {"", ""}}, 
   {478.8288, 13.901231, "Meta"} -> {{43471, 34950, 36049}, {"", ""}}, 
   {996.7292, 13.904589, "Meta"} -> {{54224, 62962, 52872}, 
     {"TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,\
13Z,16Z,19Z))[iso3] [ C67 H96 O6, db=48.00, overall=24.00, Lipid \
ID=LMGL03012576, KEGG ID= ]", ""}}, {1160.7618, 13.905588, "Meta"} -> 
    {{398833, 504836, 1}, {"", ""}}, {503.2691, 13.903366, "Meta"} -> 
    {{38607, 115338, 35181}, {"", ""}}, {522.8552, 13.904035, "Meta"} -> 
    {{140234, 1, 129613}, {"", ""}}, {1001.6842, 13.904192, "Meta"} -> 
    {{114925, 104428, 107988}, {"", ""}}, {511.8639, 13.905617, "Meta"} -> 
    {{30000, 33735, 29154}, {"", ""}}, {544.8687, 13.907429, "Meta"} -> 
    {{193646, 165778, 172088}, {"", ""}}, {489.8508, 13.903928, "Meta"} -> 
    {{17705, 1, 19299}, {"", ""}}, {1050.6691, 13.904042, "Meta"} -> 
    {{155813, 200282, 121744}, {"", ""}}, {1040.753, 13.906883, "Meta"} -> 
    {{127929, 89164, 101349}, {"", ""}}, {549.3798, 13.901501, "Meta"} -> 
    {{305763, 1603380, 200824}, {"", ""}}, {555.8901, 13.907157, "Meta"} -> 
    {{53936, 924459, 1}, {"", ""}}, {1248.8145, 13.916356, "Meta"} -> 
    {{649599, 312821, 197563}, {"", ""}}, {591.8776, 13.913758, "Meta"} -> 
    {{92184, 73348, 69608}, {"", ""}}, {591.3753, 13.914109, "Meta"} -> 
    {{190332, 158939, 1}, {"", ""}}, {1172.8337, 13.914706, "Meta"} -> 
    {{240838, 159192, 228895}, {"", ""}}, {643.9424, 13.918862, "Meta"} -> 
    {{396857, 442410, 289801}, {"", ""}}, {1243.8593, 13.917862, "Meta"} -> 
    {{923253, 838979, 731004}, {"", ""}}, {1216.8606, 13.917243, "Meta"} -> 
    {{293150, 269430, 269948}, {"", ""}}, {1292.8436, 13.918814, "Meta"} -> 
    {{508347, 253623, 154638}, {"", ""}}, {482.3011, 13.906962, "Meta"} -> 
    {{25465, 1, 37346}, {"", ""}}, {1260.8875, 13.921888, "Meta"} -> 
    {{298362, 292622, 265658}, {"", ""}}, {1336.8698, 13.9245, "Meta"} -> 
    {{501703, 1, 338783}, {"Ganglioside GA1 (d18:1/24:1(15Z)) [ C68 H124 N2 \
O23, db=60.87, overall=30.44, HMP ID=HMDB04906, KEGG ID= ]", ""}}, 
   {1304.9122, 13.925807, "Meta"} -> {{302870, 269291, 310677}, {"", ""}}, 
   {1309.8685, 13.923631, "Meta"} -> {{577172, 477288, 460465}, {"", ""}}, 
   {1331.9117, 13.925688, "Meta"} -> {{741040, 238761, 153100}, {"", ""}}, 
   {1066.7665, 13.906301, "Meta"} -> {{185097, 229323, 176356}, {"", ""}}, 
   {1348.9387, 13.928513, "Meta"} -> {{297327, 1, 286621}, {"", ""}}, 
   {1380.8955, 13.928842, "Meta"} -> {{421673, 392544, 286743}, {"", ""}}, 
   {442.2608, 13.933564, "Meta"} -> {{16018, 57239, 14265}, {"", ""}}, 
   {1375.9377, 13.930394, "Meta"} -> {{669572, 611561, 520153}, {"", ""}}, 
   {1392.9644, 13.933, "Meta"} -> {{257222, 252137, 235508}, {"", ""}}, 
   {1424.9208, 13.932688, "Meta"} -> {{91588, 103062, 55680}, {"", ""}}, 
   {1419.9648, 13.935295, "Meta"} -> {{582549, 542345, 438424}, {"", ""}}, 
   {344.2923, 13.939112, "Meta"} -> {{351503, 1644932, 559637}, 
     {"1-heptadecanoyl-rac-glycerol [ C20 H40 O4, db=98.52, overall=49.26, \
KEGG ID=, CAS ID=68002-72-2 ]", "68002-72-2"}}, 
   {1468.948, 13.937098, "Meta"} -> {{310393, 290750, 179058}, {"", ""}}, 
   {1436.9904, 13.938028, "Meta"} -> {{240880, 245190, 217713}, {"", ""}}, 
   {1463.9899, 13.9394865, "Meta"} -> {{75028, 427014, 384469}, {"", ""}}, 
   {466.3654, 13.941461, "Meta"} -> {{561778, 1, 359812}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=76.50, overall=38.25, \
Lipid ID=LMST01030128, KEGG ID= ]", ""}}, {1481.017, 13.942124, "Meta"} -> 
    {{219564, 229642, 201333}, {"", ""}}, {1508.0137, 13.944414, "Meta"} -> 
    {{82940, 383458, 1}, {"", ""}}, {222.1615, 13.993, "Meta"} -> 
    {{16406, 47155, 1}, {"", ""}}, {1529.9991, 13.944249, "Meta"} -> 
    {{350598, 1, 270260}, {"", ""}}, {283.2872, 13.950055, "Meta"} -> 
    {{331500, 414372, 305728}, {"Stearamide [ C18 H37 N O, db=99.52, \
overall=49.76, KEGG ID=, CAS ID=124-26-5 ]", "124-26-5"}}, 
   {1525.0424, 13.947517, "Meta"} -> {{207515, 1, 174068}, {"", ""}}, 
   {386.1755, 13.956785, "Meta"} -> {{39204, 30002, 26175}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=50.71, overall=25.36 ]", ""}}, 
   {1623.0092, 13.9477415, "Meta"} -> {{114124, 113822, 71085}, {"", ""}}, 
   {428.2901, 13.938, "Meta"} -> {{50913, 1, 63851}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=61.60, \
overall=30.80, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {1618.051, 13.949916, "Meta"} -> {{269178, 192635, 177597}, {"", ""}}, 
   {1569.0697, 13.946124, "Meta"} -> {{144002, 167372, 139261}, {"", ""}}, 
   {467.3376, 13.954553, "Meta"} -> {{84834, 358425, 86923}, {"", ""}}, 
   {347.2825, 13.963371, "Meta"} -> {{234725, 192032, 234463}, 
     {"(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide [ C22 \
H37 N O2, db=98.13, overall=49.07, KEGG ID=, CAS ID= ]", ""}}, 
   {330.2557, 13.959749, "Meta"} -> {{404724, 304897, 394466}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=84.17, \
overall=42.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {1662.0767, 13.946449, "Meta"} -> {{188210, 20595, 1}, {"", ""}}, 
   {510.3319, 13.973654, "Meta"} -> {{58824, 66352, 55238}, 
     {"11-(3-acetoxy-1-propynyl)-1alpha,25-dihydroxy-9,11-didehydrovitamin D3 \
/ 11-(3-acetoxy-1-propynyl)-1 [ C32 H46 O5, db=44.65, overall=22.33, Lipid \
ID=LMST03020511, KEGG ID= ]", ""}}, {452.3502, 13.976595, "Meta"} -> 
    {{196924, 151610, 129157}, {"5beta-Cholestane-3alpha,7alpha,12alpha,25,26\
-pentol [ C27 H48 O5, db=62.10, overall=31.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {1657.1215, 13.958542, "Meta"} -> {{75441, 74198, 1}, {"", ""}}, 
   {1750.128, 13.9647875, "Meta"} -> {{114220, 94555, 59657}, {"", ""}}, 
   {220.146, 13.986333, "Meta"} -> {{50251, 68005, 39048}, {"", ""}}, 
   {329.2933, 13.898458, "Meta"} -> {{62109, 127122, 131746}, {"", ""}}, 
   {460.3175, 13.9654, "Meta"} -> {{119932, 151376, 81521}, 
     {"(24R)-1alpha,24,25,26-tetrahydroxyvitamin D2 / \
(24R)-1alpha,24,25,26-tetrahydroxyergocalciferol [ C28 H44 O5, db=68.24, \
overall=34.12, Lipid ID=LMST03010054, KEGG ID= ]", ""}}, 
   {1745.1743, 13.967287, "Meta"} -> {{50563, 94373, 37440}, {"", ""}}, 
   {1701.1473, 13.966741, "Meta"} -> {{77662, 75524, 69287}, {"", ""}}, 
   {402.2765, 13.957289, "Meta"} -> {{35500, 24355, 35538}, 
     {"1alpha-hydroxy-26,27-dinorvitamin D3 25-carboxylic acid / \
1alpha-hydroxy-26,27-dinorcholecalciferol [ C25 H38 O4, db=52.81, \
overall=26.41, Lipid ID=LMST03020025, KEGG ID= ]", ""}}, 
   {440.3505, 13.985816, "Meta"} -> {{86322, 507506, 95828}, {"", ""}}, 
   {484.3164, 13.975783, "Meta"} -> {{230791, 232315, 158767}, {"", ""}}, 
   {653.3246, 13.973182, "Meta"} -> {{20851, 28677, 1}, {"", ""}}, 
   {334.2482, 13.893001, "Meta"} -> {{127002, 370326, 356175}, 
     {"Tetrahydrodeoxycorticosterone [ C21 H34 O3, db=65.74, overall=32.87, \
HMP ID=HMDB00879, KEGG ID= ]", ""}}, {1319.1475, 13.976606, "Meta"} -> 
    {{26838, 24019, 24224}, {"", ""}}, {386.3394, 13.973793, "Meta"} -> 
    {{217503, 183116, 168475}, {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, \
db=89.09, overall=44.55, KEGG ID=, CAS ID= ]", ""}}, 
   {831.6982, 13.975789, "Meta"} -> {{50794, 26043, 31831}, {"", ""}}, 
   {806.668, 13.976223, "Meta"} -> {{383414, 334264, 303602}, {"", ""}}, 
   {866.6982, 13.981547, "Meta"} -> {{20047, 21718, 29447}, {"", ""}}, 
   {354.2087, 13.977749, "Meta"} -> {{439023, 442900, 358985}, {"", ""}}, 
   {224.1773, 13.974033, "Meta"} -> {{20298, 14810, 1}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=68.79, overall=34.39, \
Lipid ID=, KEGG ID= ]", ""}}, {270.2557, 13.976111, "Meta"} -> 
    {{440383, 491066, 381439}, {"10-methyl-hexadecanoic acid [ C17 H34 O2, \
db=99.62, overall=49.81, Lipid ID=, KEGG ID= ]", ""}}, 
   {1062.9073, 13.976445, "Meta"} -> {{55419, 47255, 47832}, {"", ""}}, 
   {597.4186, 13.975773, "Meta"} -> {{79280, 83457, 73570}, {"", ""}}, 
   {238.2292, 13.975834, "Meta"} -> {{242244, 273874, 214199}, 
     {"cis-11-Hexadecenal [ C16 H30 O, db=98.78, overall=49.39, KEGG ID=, CAS \
ID=53939-28-9 ]", "53939-28-9"}}, {256.2401, 13.976223, "Meta"} -> 
    {{1316047, 1337389, 1009569}, {"2-propyl-tridecanoic acid [ C16 H32 O2, \
db=86.75, overall=43.37, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2322, 13.97861, "Meta"} -> {{226404, 220630, 195887}, {"", ""}}, 
   {386.2337, 13.980557, "Meta"} -> {{26861, 22864, 19369}, 
     {"1-tridecanoyl-sn-glycero-3-phosphate [ C16 H37 N O7 P, db=38.62, \
overall=19.31, KEGG ID=, CAS ID= ]", ""}}, {568.3997, 13.977068, "Meta"} -> 
    {{60391, 77830, 34197}, {"1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phospha\
te (ammonium salt) [ C28 H59 N O8 P, db=52.38, overall=26.19, KEGG ID=, CAS \
ID= ]", ""}}, {374.1813, 13.978594, "Meta"} -> {{52666, 45204, 1}, 
     {"Glu Asn Leu [ C15 H26 N4 O7, db=57.08, overall=28.54 ]", ""}}, 
   {401.2, 13.978515, "Meta"} -> {{183834, 153107, 97643}, {"", ""}}, 
   {429.2065, 13.981425, "Meta"} -> {{77953, 68581, 74870}, {"", ""}}, 
   {444.2765, 13.977774, "Meta"} -> {{28506, 52631, 41939}, {"", ""}}, 
   {610.4531, 13.979807, "Meta"} -> {{301704, 281884, 268865}, {"", ""}}, 
   {897.0775, 13.963102, "Meta"} -> {{35896, 43129, 20958}, {"", ""}}, 
   {420.3661, 13.976656, "Meta"} -> {{33362, 26506, 22711}, {"", ""}}, 
   {294.1873, 13.977543, "Meta"} -> {{50769, 66882, 46650}, 
     {"Sodium tetradecyl sulfate [ C14 H30 O4 S, db=82.16, overall=41.08, \
KEGG ID=, CAS ID=139-88-8 ]", "139-88-8"}}, {556.3739, 13.973735, "Meta"} -> 
    {{273399, 217647, 162570}, {"", ""}}, {540.3787, 13.981038, "Meta"} -> 
    {{259535, 160963, 203310}, {"", ""}}, {500.3862, 13.978946, "Meta"} -> 
    {{228828, 183258, 153680}, {"", ""}}, {1838.1816, 13.978887, "Meta"} -> 
    {{45604, 55447, 34244}, {"", ""}}, {273.2666, 13.976639, "Meta"} -> 
    {{73641, 69736, 71725}, {"C16 Sphinganine [ C16 H35 N O2, db=89.23, \
overall=44.61, Lipid ID=LMSP01040001, KEGG ID= ]", ""}}, 
   {370.2578, 13.982139, "Meta"} -> {{78989, 70950, 60945}, {"", ""}}, 
   {470.3612, 13.984445, "Meta"} -> {{83707, 128193, 178045}, {"", ""}}, 
   {307.287, 13.978666, "Meta"} -> {{56745, 62685, 86996}, {"", ""}}, 
   {369.1855, 13.979225, "Meta"} -> {{74212, 59244, 52176}, {"", ""}}, 
   {520.4126, 13.9819145, "Meta"} -> {{554942, 418171, 336455}, {"", ""}}, 
   {560.4047, 13.986311, "Meta"} -> {{305631, 1, 202794}, {"", ""}}, 
   {685.3513, 13.989969, "Meta"} -> {{12470, 23976, 1}, {"", ""}}, 
   {600.436, 13.992064, "Meta"} -> {{171698, 142646, 1}, {"", ""}}, 
   {276.2085, 13.992001, "Meta"} -> {{60401, 1, 38361}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=76.40, overall=38.20, Lipid \
ID=, KEGG ID= ]", ""}}, {294.2182, 13.990687, "Meta"} -> 
    {{62134, 46049, 43911}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, \
db=70.71, overall=35.35, Lipid ID=, KEGG ID= ]", ""}}, 
   {486.3319, 13.971826, "Meta"} -> {{385816, 43990, 1}, {"", ""}}, 
   {1764.1438, 14.027258, "Meta"} -> {{50230, 46062, 31323}, {"", ""}}, 
   {306.2556, 13.999083, "Meta"} -> {{561749, 513361, 346800}, 
     {"ETrE(11Z, 14Z, 17Z) [ C20 H34 O2, db=67.35, overall=33.67, Lipid \
ID=LMFA01030378, KEGG ID= ]", ""}}, {507.3694, 13.993544, "Meta"} -> 
    {{637135, 3017581, 534154}, {"", ""}}, {323.2821, 13.996278, "Meta"} -> 
    {{226585, 196182, 157528}, {"(9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-die\
namide [ C20 H37 N O2, db=99.15, overall=49.57, KEGG ID=, CAS ID= ]", ""}}, 
   {490.3655, 14.002969, "Meta"} -> {{564979, 1, 1}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=61.55, \
overall=30.77, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {362.1752, 14.002638, "Meta"} -> {{57953, 51766, 37568}, 
     {"Met Gly Arg [ C13 H26 N6 O4 S, db=56.03, overall=28.02 ]", ""}}, 
   {360.2646, 14.006222, "Meta"} -> {{14035, 66920, 11568}, 
     {"1alpha,23-dihydroxy-24,25,26,27-tetranorvitamin D3 / \
1alpha,23-dihydroxy-24,25,26,27-tetranorcholeca [ C23 H36 O3, db=49.92, \
overall=24.96, Lipid ID=LMST03020020, KEGG ID= ]", ""}}, 
   {627.5055, 14.012999, "Meta"} -> {{30467, 29469, 1}, {"", ""}}, 
   {388.2586, 14.0047655, "Meta"} -> {{34957, 33093, 30123}, 
     {"7,12-Dioxo-5beta-cholan-24-oic Acid [ C24 H36 O4, db=55.81, \
overall=27.91, Lipid ID=, KEGG ID= ]", ""}}, {472.3551, 13.985233, "Meta"} -> 
    {{74694, 30810, 47504}, {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehyd\
ro-23-oxavitamin D3 / 26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=61.77, \
overall=30.89, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {420.3237, 13.996353, "Meta"} -> {{408348, 82761, 364743}, 
     {"1alpha,2alpha,25-trihydroxy-19-norvitamin D3 / \
1alpha,2alpha,25-trihydroxy-19-norcholecalciferolchol [ C26 H44 O4, db=77.07, \
overall=38.53, Lipid ID=LMST03020547, KEGG ID= ]", ""}}, 
   {512.3477, 14.046452, "Meta"} -> {{949597, 439595, 759021}, 
     {"ZK 159222 [ C32 H48 O5, db=50.94, overall=25.47, Lipid \
ID=LMST03020621, KEGG ID= ]", ""}}, {545.3171, 14.010888, "Meta"} -> 
    {{19726, 55150, 15274}, {"", ""}}, {469.2862, 14.021042, "Meta"} -> 
    {{38820, 1, 1}, {"", ""}}, {259.2508, 14.031133, "Meta"} -> 
    {{25848, 42324, 15508}, {"", ""}}, {242.2245, 14.033613, "Meta"} -> 
    {{310556, 506083, 195142}, {"Isopentadecylic acid [ C15 H30 O2, db=99.40, \
overall=49.70, KEGG ID=, CAS ID= ]", ""}}, {295.2873, 14.061223, "Meta"} -> 
    {{149535, 101089, 121449}, {"", ""}}, {408.1761, 14.037353, "Meta"} -> 
    {{765616, 1, 1}, 
     {"Trp Gly Phe [ C22 H24 N4 O4, db=41.37, overall=20.69 ]", ""}}, 
   {298.2508, 14.035623, "Meta"} -> {{103752, 42484, 66664}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=71.18, overall=35.59, \
Lipid ID=, KEGG ID= ]", ""}}, {454.3265, 13.978308, "Meta"} -> 
    {{271267, 129281, 1}, {"GPCho(O-7:0/O-7:0) [ C22 H49 N O6 P, db=80.05, \
overall=40.03, Lipid ID=LMGP01040080, KEGG ID= ]", ""}}, 
   {449.3718, 14.041364, "Meta"} -> {{57595, 386834, 97718}, {"", ""}}, 
   {171.108, 14.037002, "Meta"} -> {{126376, 1, 1}, {"", ""}}, 
   {353.3292, 14.065957, "Meta"} -> {{36493, 1, 1}, 
     {"(Z)-N-(2-hydroxyethyl)icos-11-enamide [ C22 H43 N O2, db=53.55, \
overall=26.77, KEGG ID=, CAS ID= ]", ""}}, {358.3083, 14.061032, "Meta"} -> 
    {{490669, 2162564, 221503}, {"1-octadecanoyl-rac-glycerol [ C21 H42 O4, \
db=91.49, overall=45.75, KEGG ID=, CAS ID= ]", ""}}, 
   {534.3899, 14.062283, "Meta"} -> {{1582154, 1367217, 2293730}, {"", ""}}, 
   {1218.8057, 14.057057, "Meta"} -> {{600815, 571537, 209659}, {"", ""}}, 
   {642.91, 14.060259, "Meta"} -> {{130196, 109250, 84726}, {"", ""}}, 
   {1186.8503, 14.059189, "Meta"} -> {{292669, 288408, 260223}, {"", ""}}, 
   {1103.753, 14.057482, "Meta"} -> {{259952, 1, 194666}, {"", ""}}, 
   {1169.8226, 14.057669, "Meta"} -> {{915509, 844046, 698255}, {"", ""}}, 
   {1262.8317, 14.057412, "Meta"} -> {{253278, 256853, 172831}, 
     {"Ganglioside GM3 (d18:1/24:1(15Z)) [ C65 H118 N2 O21, db=64.86, \
overall=32.43, HMP ID=HMDB04848, KEGG ID= ]", ""}}, 
   {1152.795, 14.05788, "Meta"} -> {{283472, 22379, 1}, {"", ""}}, 
   {1064.743, 14.0559025, "Meta"} -> {{347117, 352820, 1}, {"", ""}}, 
   {1213.8492, 14.058307, "Meta"} -> {{382926, 398941, 806873}, {"", ""}}, 
   {1020.7168, 14.055375, "Meta"} -> {{309183, 43612, 196062}, {"", ""}}, 
   {507.8499, 14.0589695, "Meta"} -> {{54182, 1, 33006}, {"", ""}}, 
   {1125.7968, 14.0580015, "Meta"} -> {{440198, 420230, 326750}, {"", ""}}, 
   {1108.7697, 14.056641, "Meta"} -> {{30921, 34648, 1}, {"", ""}}, 
   {485.8368, 14.06136, "Meta"} -> {{21393, 16367, 17111}, {"", ""}}, 
   {1230.8765, 14.069205, "Meta"} -> {{381411, 333672, 287876}, {"", ""}}, 
   {1306.8593, 14.060386, "Meta"} -> {{148178, 219068, 143927}, {"", ""}}, 
   {1318.9282, 14.062551, "Meta"} -> {{409231, 387536, 1}, {"", ""}}, 
   {1257.8752, 14.0591755, "Meta"} -> {{192345, 945446, 776707}, {"", ""}}, 
   {1037.7437, 14.060363, "Meta"} -> {{281118, 291347, 212175}, {"", ""}}, 
   {1054.7722, 14.059851, "Meta"} -> {{72556, 70546, 75182}, {"", ""}}, 
   {1350.8864, 14.060532, "Meta"} -> {{110379, 527299, 392491}, {"", ""}}, 
   {1362.9545, 14.064612, "Meta"} -> {{423557, 1, 362142}, {"", ""}}, 
   {1389.9536, 14.06309, "Meta"} -> {{865897, 84838, 628202}, {"", ""}}, 
   {1142.8239, 14.061389, "Meta"} -> {{265605, 213986, 203048}, {"", ""}}, 
   {976.6912, 14.068707, "Meta"} -> {{33137, 291688, 187482}, {"", ""}}, 
   {422.375, 14.068999, "Meta"} -> {{26260, 26469, 1}, {"", ""}}, 
   {993.7174, 14.063914, "Meta"} -> {{247285, 265715, 214995}, {"", ""}}, 
   {1438.9374, 14.065999, "Meta"} -> {{430279, 404103, 306647}, {"", ""}}, 
   {1433.9799, 14.066055, "Meta"} -> {{763428, 701146, 568667}, {"", ""}}, 
   {949.6916, 14.066196, "Meta"} -> {{183907, 181611, 139337}, {"", ""}}, 
   {1451.0062, 14.068264, "Meta"} -> {{367749, 367332, 309108}, {"", ""}}, 
   {932.6646, 14.065879, "Meta"} -> {{247018, 212884, 137713}, {"", ""}}, 
   {470.2924, 14.073814, "Meta"} -> {{40038, 1, 60720}, {"", ""}}, 
   {905.6649, 14.069608, "Meta"} -> {{114673, 137348, 90365}, {"", ""}}, 
   {1522.0323, 14.071529, "Meta"} -> {{540652, 1, 75461}, {"", ""}}, 
   {888.6409, 14.076768, "Meta"} -> {{123513, 128209, 48865}, {"", ""}}, 
   {1482.9642, 14.067459, "Meta"} -> {{32704, 349275, 247246}, {"", ""}}, 
   {1174.7784, 14.05864, "Meta"} -> {{138864, 381354, 460575}, {"", ""}}, 
   {1526.9904, 14.071257, "Meta"} -> {{327219, 285925, 187366}, {"", ""}}, 
   {1495.0323, 14.071646, "Meta"} -> {{334302, 324877, 265336}, {"", ""}}, 
   {861.6387, 14.075389, "Meta"} -> {{55779, 46741, 42871}, {"", ""}}, 
   {405.3454, 14.078472, "Meta"} -> {{28317, 189627, 72608}, {"", ""}}, 
   {316.2402, 14.079582, "Meta"} -> {{3685751, 1625043, 2587072}, 
     {"pregnenolone [ C21 H32 O2, db=98.88, overall=49.44, KEGG ID=, CAS \
ID=1852-38-6 ]", "1852-38-6"}}, {376.2724, 14.080198, "Meta"} -> 
    {{538209, 837130, 445812}, {"", ""}}, {284.2138, 14.07936, "Meta"} -> 
    {{51118, 100184, 46279}, {"11-cis-Retinaldehyde [ C20 H28 O, db=83.12, \
overall=41.56, HMP ID=HMDB02152, KEGG ID= ]", ""}}, 
   {333.2666, 14.079747, "Meta"} -> {{3228696, 4125501, 2406298}, {"", ""}}, 
   {805.0406, 14.07626, "Meta"} -> {{20294, 29284, 1}, {"", ""}}, 
   {529.4339, 14.081344, "Meta"} -> {{77047, 39974, 55981}, {"", ""}}, 
   {1632.0676, 14.078387, "Meta"} -> {{316829, 322572, 259896}, {"", ""}}, 
   {1583.085, 14.078301, "Meta"} -> {{262196, 315711, 222988}, {"", ""}}, 
   {1627.1108, 14.078733, "Meta"} -> {{186311, 1, 179782}, {"", ""}}, 
   {1676.0933, 14.06074, "Meta"} -> {{306845, 1, 201490}, {"", ""}}, 
   {1715.1598, 14.067248, "Meta"} -> {{134622, 142017, 117629}, {"", ""}}, 
   {948.6653, 14.082221, "Meta"} -> {{107865, 126713, 66043}, {"", ""}}, 
   {264.2448, 14.087555, "Meta"} -> {{98279, 67093, 83926}, 
     {"9,12-octadecadienal [ C18 H32 O, db=69.08, overall=34.54, Lipid ID=, \
KEGG ID= ]", ""}}, {1813.1312, 14.077153, "Meta"} -> 
    {{75037, 63836, 42528}, {"", ""}}, {546.5012, 14.088577, "Meta"} -> 
    {{29624, 14609, 28547}, {"", ""}}, {367.1936, 14.089778, "Meta"} -> 
    {{66589, 42714, 42480}, {"N-Desethylquinagolide [ C18 H29 N3 O3 S, \
db=63.48, overall=31.74, KEGG ID=, CAS ID= ]", ""}}, 
   {602.4589, 14.089057, "Meta"} -> {{755179, 516438, 595426}, {"", ""}}, 
   {1808.1718, 14.068594, "Meta"} -> {{141171, 116451, 80937}, {"", ""}}, 
   {884.7153, 14.088696, "Meta"} -> {{224880, 164956, 176507}, {"", ""}}, 
   {380.2247, 14.088887, "Meta"} -> {{708163, 507096, 620834}, {"", ""}}, 
   {282.2564, 14.088139, "Meta"} -> {{2947530, 1409562, 2496394}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=98.70, overall=49.35, Lipid \
ID=LMFA01030065, KEGG ID= ]", ""}}, {486.3322, 14.0887165, "Meta"} -> 
    {{950123, 759247, 869412}, {"", ""}}, {868.7374, 14.088824, "Meta"} -> 
    {{42371, 30450, 27592}, {"", ""}}, {299.2823, 14.088805, "Meta"} -> 
    {{390187, 297218, 370517}, {"3-Dehydrosphinganine [ C18 H37 N O2, \
db=99.55, overall=49.78, KEGG ID=C02934, CAS ID=16105-69-4 ]", 
      "16105-69-4"}}, {338.1754, 14.0895, "Meta"} -> 
    {{172950, 96191, 1}, {"2,3-Dinor-6,15-diketo-13,14-dihydro-PGF1a [ C18 \
H26 O6, db=42.53, overall=21.26, KEGG ID=, CAS ID= ]", ""}}, 
   {586.4805, 14.089943, "Meta"} -> {{60385, 1, 82275}, 
     {"3',4'-Dihydrorhodovibrin [ C41 H62 O2, db=20.76, overall=10.38, Lipid \
ID=LMPR01070139, KEGG ID= ]", ""}}, {440.2498, 14.08963, "Meta"} -> 
    {{97604, 85147, 1}, {"", ""}}, {404.1936, 14.090585, "Meta"} -> 
    {{66081, 32132, 1}, 
     {"Lys Glu Glu [ C16 H28 N4 O8, db=45.07, overall=22.53 ]", ""}}, 
   {398.202, 14.090389, "Meta"} -> {{201525, 118287, 182677}, 
     {"His Arg Ser [ C15 H26 N8 O5, db=43.07, overall=21.53 ]", ""}}, 
   {395.1929, 14.089863, "Meta"} -> {{253766, 164973, 158747}, {"", ""}}, 
   {1720.1184, 14.061962, "Meta"} -> {{240015, 233454, 148173}, {"", ""}}, 
   {434.3862, 14.09189, "Meta"} -> {{76104, 65611, 81210}, {"", ""}}, 
   {320.2035, 14.088819, "Meta"} -> {{94971, 64623, 85440}, {"", ""}}, 
   {357.2667, 14.066502, "Meta"} -> {{49690, 70443, 35984}, {"", ""}}, 
   {1803.2148, 14.080516, "Meta"} -> {{58244, 88164, 69170}, {"", ""}}, 
   {1847.2441, 14.088383, "Meta"} -> {{39236, 61977, 39545}, {"", ""}}, 
   {1852.1967, 14.0926, "Meta"} -> {{78067, 80499, 55568}, {"", ""}}, 
   {1896.2227, 14.094833, "Meta"} -> {{56632, 75152, 45447}, {"", ""}}, 
   {662.4873, 14.106453, "Meta"} -> {{164244, 124266, 258797}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaeno\
yl)-sn-glycerol [ C43 H66 O5, db=68.73, overall=34.37, KEGG ID=, CAS ID= ]", 
      ""}}, {498.3687, 14.089807, "Meta"} -> {{33391, 1, 1}, 
     {"(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a,24\
b,24c-trihomo-20-epivitamin D3 [ C32 H50 O4, db=49.58, overall=24.79, Lipid \
ID=LMST03020516, KEGG ID= ]", ""}}, {509.3843, 14.0923605, "Meta"} -> 
    {{1001253, 6937730, 903825}, {"", ""}}, {466.3657, 14.105546, "Meta"} -> 
    {{1272318, 723869, 775864}, {"6alpha-Hydroxycastasterone [ C28 H50 O5, \
db=82.12, overall=41.06, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {292.2399, 14.107418, "Meta"} -> {{992549, 580681, 602812}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=85.29, overall=42.65, \
HMP ID=HMDB00412, KEGG ID= ]", ""}}, {580.4317, 14.10757, "Meta"} -> 
    {{98073, 1, 70365}, {"GPCho(O-18:0/4:0) [ C30 H63 N O7 P, db=63.24, \
overall=31.62, Lipid ID=LMGP01020116, KEGG ID= ]", ""}}, 
   {352.2723, 14.1108885, "Meta"} -> {{127570, 228987, 137513}, {"", ""}}, 
   {309.2668, 14.111446, "Meta"} -> {{645127, 838880, 456632}, 
     {"Dicyclomine [ C19 H35 N O2, db=99.35, overall=49.67, KEGG ID=C06951, \
CAS ID=77-19-0 ]", "77-19-0"}}, {222.1617, 14.1038265, "Meta"} -> 
    {{408988, 365559, 683700}, {"", ""}}, {960.7672, 14.101361, "Meta"} -> 
    {{75979, 125432, 62396}, {"", ""}}, {499.2963, 14.121678, "Meta"} -> 
    {{192718, 146359, 152615}, {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, \
db=89.57, overall=44.79, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {484.378, 14.105919, "Meta"} -> {{64196, 75404, 62334}, {"", ""}}, 
   {420.3042, 14.12719, "Meta"} -> {{96140, 211332, 83150}, 
     {"3D,7D,11D-Phytanic acid [ C29 H40 O2, db=55.51, overall=27.76, HMP \
ID=HMDB00417, KEGG ID= ]", ""}}, {696.4838, 14.114749, "Meta"} -> 
    {{116841, 185795, 61244}, {"", ""}}, {514.423, 14.141911, "Meta"} -> 
    {{355643, 74675, 220446}, {"", ""}}, {678.511, 14.121193, "Meta"} -> 
    {{165647, 192458, 130243}, {"GPCho(14:0/14:0[U]) [ C36 H73 N O8 P, \
db=73.61, overall=36.81, Lipid ID=LMGP01010478, KEGG ID= ]", ""}}, 
   {895.5533, 14.136167, "Meta"} -> {{50072, 62567, 35948}, {"", ""}}, 
   {422.34, 14.145611, "Meta"} -> {{566072, 408818, 478592}, {"", ""}}, 
   {340.298, 14.148811, "Meta"} -> {{412334, 1039381, 367108}, 
     {"20-oxo-heneicosanoic acid [ C21 H40 O3, db=96.35, overall=48.18, Lipid \
ID=, KEGG ID= ]", ""}}, {352.334, 14.145808, "Meta"} -> 
    {{54740, 47713, 41102}, {"14Z-tricosenoic acid [ C23 H44 O2, db=81.01, \
overall=40.50, Lipid ID=, KEGG ID= ]", ""}}, 
   {1036.8195, 14.135778, "Meta"} -> {{71791, 204160, 85023}, {"", ""}}, 
   {741.6305, 14.144343, "Meta"} -> {{117312, 784637, 151320}, {"", ""}}, 
   {384.3049, 14.142907, "Meta"} -> {{163448, 59939, 251548}, {"", ""}}, 
   {403.3659, 14.148665, "Meta"} -> {{60402, 169679, 96044}, {"", ""}}, 
   {772.5821, 14.131801, "Meta"} -> {{57044, 120153, 70435}, 
     {"GPCho(16:0/19:2(9Z,12Z)[U]) [ C43 H83 N O8 P, db=73.13, overall=36.57, \
Lipid ID=LMGP01010610, KEGG ID= ]", ""}}, {764.5958, 14.144802, "Meta"} -> 
    {{89400, 197695, 113821}, {"", ""}}, {1054.792, 14.132248, "Meta"} -> 
    {{45383, 96554, 38201}, {"", ""}}, {266.2608, 14.148749, "Meta"} -> 
    {{93124, 277870, 125611}, {"3E,13Z-octadecadien-1-ol [ C18 H34 O, \
db=97.90, overall=48.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {375.3339, 14.148222, "Meta"} -> {{1639617, 4959821, 2141699}, {"", ""}}, 
   {358.3078, 14.148471, "Meta"} -> {{1.11*^7, 3.44*^7, 1.38*^7}, 
     {"1-octadecanoyl-rac-glycerol [ C21 H42 O4, db=98.40, overall=49.20, \
KEGG ID=, CAS ID= ]", ""}}, {418.3406, 14.1476965, "Meta"} -> 
    {{424522, 1376950, 592341}, {"1alpha,25-dihydroxy-2alpha-methyl-19-norvit\
amin D3 / 1alpha,25-dihydroxy-2alpha-methyl-19-norcholeca [ C27 H46 O3, \
db=67.02, overall=33.51, Lipid ID=LMST03020553, KEGG ID= ]", ""}}, 
   {639.5801, 14.147194, "Meta"} -> {{252503, 98943, 289560}, {"", ""}}, 
   {1200.9023, 14.160806, "Meta"} -> {{24893, 67562, 27897}, {"", ""}}, 
   {1112.877, 14.148324, "Meta"} -> {{123006, 893746, 143519}, {"", ""}}, 
   {814.5844, 14.151257, "Meta"} -> {{68129, 194842, 93420}, {"", ""}}, 
   {769.529, 14.1481085, "Meta"} -> {{76851, 220323, 52298}, {"", ""}}, 
   {1471.1823, 14.148783, "Meta"} -> {{34509, 538605, 46248}, {"", ""}}, 
   {343.3194, 14.142917, "Meta"} -> {{120790, 132804, 138851}, {"", ""}}, 
   {527.2676, 14.149583, "Meta"} -> {{58239, 129277, 51543}, {"", ""}}, 
   {456.2764, 14.150944, "Meta"} -> {{329034, 688946, 339907}, {"", ""}}, 
   {480.2429, 14.151414, "Meta"} -> {{20269, 40866, 17174}, {"", ""}}, 
   {389.3503, 14.147706, "Meta"} -> {{47471, 91620, 50627}, {"", ""}}, 
   {424.2965, 14.153561, "Meta"} -> {{105255, 93804, 118453}, 
     {"(22E,24E,26E)-1alpha,26b-dihydroxy-22,23,24,25,26,26a-hexadehydro-26a,\
26b-dihomo-27-norvitamin D3 / [ C28 H40 O3, db=44.45, overall=22.22, Lipid \
ID=LMST03020312, KEGG ID= ]", ""}}, {454.3656, 14.155731, "Meta"} -> 
    {{284836, 1, 169001}, {"", ""}}, {564.5589, 14.166798, "Meta"} -> 
    {{21569, 16825, 1}, {"", ""}}, {426.327, 14.133777, "Meta"} -> 
    {{62720, 46178, 42119}, {"", ""}}, {846.402, 14.16888, "Meta"} -> 
    {{24578, 1, 1}, {"", ""}}, {934.6778, 14.200471, "Meta"} -> 
    {{43810, 55110, 37710}, {"", ""}}, {466.1108, 14.175235, "Meta"} -> 
    {{189387, 1, 1}, {"", ""}}, {285.267, 14.18239, "Meta"} -> 
    {{223446, 328503, 146256}, {"C17 Sphingosine [ C17 H35 N O2, db=93.80, \
overall=46.90, Lipid ID=LMSP01040002, KEGG ID= ]", ""}}, 
   {436.3163, 14.176588, "Meta"} -> {{58386, 263380, 88593}, 
     {"4,4-difluoro-1alpha-hydroxyvitamin D3 / \
4,4-difluoro-1alpha-hydroxycholecalciferol [ C27 H42 F2 O2, db=84.08, \
overall=42.04, Lipid ID=LMST03020138, KEGG ID= ]", ""}}, 
   {268.24, 14.176917, "Meta"} -> {{913531, 1567234, 246059}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=92.99, overall=46.49, Lipid \
ID=LMFA01030060, KEGG ID= ]", ""}}, {446.3394, 14.189685, "Meta"} -> 
    {{2406501, 338088, 1840875}, {"1alpha,25-dihydroxy-11beta-methoxyvitamin \
D3 / 1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, \
db=80.19, overall=40.09, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {398.3198, 14.172886, "Meta"} -> {{56897, 50625, 35850}, 
     {"(22Z)-1beta-hydroxy-22,23-didehydrovitamin D_3 / \
(22Z)-1beta-hydroxy-22,23-didehydrocholecalciferol [ C27 H42 O2, db=77.14, \
overall=38.57, Lipid ID=LMST03020151, KEGG ID= ]", ""}}, 
   {434.2678, 14.188435, "Meta"} -> {{107479, 83149, 79265}, 
     {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, db=84.90, overall=42.45, \
KEGG ID=, CAS ID=114883-29-3 ]", "114883-29-3"}}, 
   {1364.8975, 14.194389, "Meta"} -> {{87680, 465992, 303514}, 
     {"Ganglioside GA1 (d18:1/26:1(17Z)) [ C70 H128 N2 O23, db=75.48, \
overall=37.74, HMP ID=HMDB04907, KEGG ID= ]", ""}}, 
   {1447.9952, 14.192001, "Meta"} -> {{131607, 634157, 547433}, {"", ""}}, 
   {1492.0217, 14.194573, "Meta"} -> {{671636, 612914, 517714}, {"", ""}}, 
   {412.2971, 14.195, "Meta"} -> {{149867, 97630, 115547}, 
     {"Calcipotriene [ C27 H40 O3, db=80.60, overall=40.30, KEGG ID=, CAS \
ID=112965-21-6 ]", "112965-21-6"}}, {1496.9803, 14.19325, "Meta"} -> 
    {{421026, 331915, 46643}, {"", ""}}, {1420.9965, 14.197917, "Meta"} -> 
    {{317816, 318230, 335957}, {"", ""}}, {1624.1003, 14.197062, "Meta"} -> 
    {{40775, 391642, 22456}, {"", ""}}, {1817.2332, 14.199793, "Meta"} -> 
    {{99636, 101016, 87923}, {"", ""}}, {1597.101, 14.198148, "Meta"} -> 
    {{245025, 251487, 251873}, {"", ""}}, {1408.9271, 14.194473, "Meta"} -> 
    {{506757, 414512, 37136}, {"", ""}}, {1861.258, 14.196594, "Meta"} -> 
    {{129155, 86224, 58390}, {"", ""}}, {1403.9694, 14.194972, "Meta"} -> 
    {{795813, 711938, 582115}, {"", ""}}, {1452.9532, 14.194514, "Meta"} -> 
    {{444687, 345734, 252190}, {"", ""}}, {1509.0479, 14.196716, "Meta"} -> 
    {{321522, 306730, 313593}, {"", ""}}, {1465.0219, 14.194402, "Meta"} -> 
    {{301791, 315495, 305341}, {"", ""}}, {1553.0742, 14.197194, "Meta"} -> 
    {{257514, 255745, 262846}, {"", ""}}, {1562.9896, 14.198364, "Meta"} -> 
    {{318772, 248504, 166855}, {"", ""}}, {1536.0472, 14.194414, "Meta"} -> 
    {{606687, 596597, 65011}, {"", ""}}, {1376.9705, 14.195032, "Meta"} -> 
    {{349575, 354282, 331526}, {"", ""}}, {1602.0566, 14.198463, "Meta"} -> 
    {{401254, 366741, 284048}, {"", ""}}, {1729.1761, 14.185585, "Meta"} -> 
    {{145324, 148945, 1}, {"", ""}}, {1695.0688, 14.195794, "Meta"} -> 
    {{215938, 1, 123247}, {"", ""}}, {1734.1353, 14.190585, "Meta"} -> 
    {{289173, 278641, 1}, {"", ""}}, {1783.1184, 14.192629, "Meta"} -> 
    {{124497, 31649, 70329}, {"", ""}}, {649.9173, 14.20141, "Meta"} -> 
    {{101953, 82709, 60899}, {"", ""}}, {484.2849, 14.207409, "Meta"} -> 
    {{107513, 49316, 80651}, {"GPGro(16:0/0:0)[U] [ C22 H45 O9 P, db=38.98, \
overall=19.49, Lipid ID=LMGP04050002, KEGG ID= ]", ""}}, 
   {1690.1084, 14.19928, "Meta"} -> {{321236, 1, 1}, {"", ""}}, 
   {1739.0945, 14.198658, "Meta"} -> {{146288, 133273, 112393}, {"", ""}}, 
   {1651.0406, 14.192531, "Meta"} -> {{212337, 180671, 130542}, {"", ""}}, 
   {1641.1263, 14.192625, "Meta"} -> {{230289, 237682, 234162}, {"", ""}}, 
   {1271.8907, 14.198788, "Meta"} -> {{758845, 729658, 563029}, {"", ""}}, 
   {1773.2079, 14.200658, "Meta"} -> {{112959, 129016, 122969}, {"", ""}}, 
   {1822.1873, 14.202721, "Meta"} -> {{146506, 168358, 96582}, {"", ""}}, 
   {613.9317, 14.198634, "Meta"} -> {{338613, 368053, 264454}, {"", ""}}, 
   {1866.2135, 14.191801, "Meta"} -> {{127664, 116100, 62532}, {"", ""}}, 
   {649.4179, 14.206075, "Meta"} -> {{194556, 154185, 123716}, {"", ""}}, 
   {1276.8481, 14.198558, "Meta"} -> {{209275, 195778, 79057}, {"", ""}}, 
   {1288.9185, 14.196689, "Meta"} -> {{293119, 1, 274719}, {"", ""}}, 
   {1871.1737, 14.199768, "Meta"} -> {{74854, 51690, 1}, {"", ""}}, 
   {1232.82, 14.198863, "Meta"} -> {{201114, 204511, 130006}, {"", ""}}, 
   {1827.1462, 14.200866, "Meta"} -> {{78676, 89959, 48325}, {"", ""}}, 
   {1778.1611, 14.200578, "Meta"} -> {{209235, 206649, 132362}, {"", ""}}, 
   {1244.8917, 14.2033415, "Meta"} -> {{226456, 219947, 216704}, {"", ""}}, 
   {583.7208, 14.204438, "Meta"} -> {{43512, 29090, 29858}, {"", ""}}, 
   {1249.8477, 14.203148, "Meta"} -> {{372587, 317386, 273029}, {"", ""}}, 
   {1200.8668, 14.204945, "Meta"} -> {{189071, 186820, 171878}, {"", ""}}, 
   {365.3013, 14.216527, "Meta"} -> {{20187, 46572, 55173}, {"", ""}}, 
   {1188.7935, 14.202201, "Meta"} -> {{209271, 198245, 130603}, {"", ""}}, 
   {605.8921, 14.206543, "Meta"} -> {{66544, 49386, 1}, {"", ""}}, 
   {1183.8381, 14.204194, "Meta"} -> {{246320, 231546, 428623}, {"", ""}}, 
   {1144.769, 14.20787, "Meta"} -> {{153089, 1, 94113}, {"", ""}}, 
   {424.3908, 14.209613, "Meta"} -> {{30288, 31080, 23146}, {"", ""}}, 
   {554.3656, 14.166631, "Meta"} -> {{47939, 1, 1}, {"", ""}}, 
   {1156.8387, 14.209628, "Meta"} -> {{179679, 121894, 166857}, {"", ""}}, 
   {1139.8115, 14.206183, "Meta"} -> {{151381, 140295, 114649}, {"", ""}}, 
   {406.3804, 14.209417, "Meta"} -> {{28694, 25529, 22236}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=79.02, \
overall=39.51, Lipid ID=, KEGG ID= ]", ""}}, {440.3857, 14.214, "Meta"} -> 
    {{179145, 73089, 104881}, {"", ""}}, {488.3482, 14.211999, "Meta"} -> 
    {{514825, 316188, 343902}, {"", ""}}, {1100.7411, 14.209909, "Meta"} -> 
    {{150467, 140400, 82671}, {"", ""}}, {514.4233, 14.214094, "Meta"} -> 
    {{66262, 1, 241679}, {"", ""}}, {1116.779, 14.224416, "Meta"} -> 
    {{662320, 593628, 2420500}, {"", ""}}, {328.3451, 14.2168, "Meta"} -> 
    {{13289, 68081, 1}, {"", ""}}, {283.2869, 14.21733, "Meta"} -> 
    {{680181, 3134684, 1009989}, {"Stearamide [ C18 H37 N O, db=96.78, \
overall=48.39, KEGG ID=, CAS ID=124-26-5 ]", "124-26-5"}}, 
   {431.3039, 14.195275, "Meta"} -> {{107513, 1, 100328}, {"", ""}}, 
   {1051.7598, 14.215641, "Meta"} -> {{136057, 135012, 118440}, {"", ""}}, 
   {1095.7856, 14.213828, "Meta"} -> {{217294, 182311, 127130}, {"", ""}}, 
   {1012.6886, 14.219436, "Meta"} -> {{72304, 70655, 46695}, {"", ""}}, 
   {1022.7088, 14.223097, "Meta"} -> {{79553, 48602, 43745}, {"", ""}}, 
   {422.3747, 14.206687, "Meta"} -> {{49474, 21306, 17408}, {"", ""}}, 
   {1007.7326, 14.221612, "Meta"} -> {{99758, 95759, 76736}, {"", ""}}, 
   {518.3967, 14.2736025, "Meta"} -> {{334493, 1, 225691}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=61.50, \
overall=30.75, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {1885.1884, 14.293885, "Meta"} -> {{37085, 93740, 1}, {"", ""}}, 
   {325.2996, 14.210102, "Meta"} -> {{18981, 17417, 14451}, 
     {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, db=43.24, overall=21.62, \
KEGG ID=, CAS ID= ]", ""}}, {612.4955, 14.216895, "Meta"} -> 
    {{44510, 31322, 163748}, {"", ""}}, {624.5072, 14.226657, "Meta"} -> 
    {{178548, 203554, 170540}, {"", ""}}, {538.3636, 14.237194, "Meta"} -> 
    {{820747, 223976, 199509}, {"", ""}}, {308.2716, 14.231286, "Meta"} -> 
    {{38806, 47697, 34671}, {"5,11-Eicosadienoic acid [ C20 H36 O2, db=81.25, \
overall=40.62, Lipid ID=, KEGG ID= ]", ""}}, {278.2241, 14.218176, "Meta"} -> 
    {{78564, 112375, 117005}, {"beta-eleostearic acid [ C18 H30 O2, db=83.37, \
overall=41.68, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {963.7065, 14.228668, "Meta"} -> {{48805, 46137, 43557}, {"", ""}}, 
   {369.3356, 14.230916, "Meta"} -> {{95801, 215802, 129172}, {"", ""}}, 
   {309.3033, 14.23247, "Meta"} -> {{629283, 953475, 532500}, {"", ""}}, 
   {538.4231, 14.239277, "Meta"} -> {{4756049, 793191, 664333}, 
     {"GPCho(O-16:0/O-4:0[U]) [ C28 H61 N O6 P, db=76.53, overall=38.26, \
Lipid ID=LMGP01040044, KEGG ID= ]", ""}}, {520.413, 14.242222, "Meta"} -> 
    {{1966662, 1364829, 1423863}, {"", ""}}, {647.3629, 14.24356, "Meta"} -> 
    {{43830, 33175, 24317}, {"", ""}}, {591.3425, 14.248113, "Meta"} -> 
    {{95532, 52593, 73204}, {"", ""}}, {636.3988, 14.250115, "Meta"} -> 
    {{83400, 54149, 136314}, {"", ""}}, {1098.8239, 14.252852, "Meta"} -> 
    {{128182, 66244, 87519}, {"", ""}}, {594.3456, 14.25331, "Meta"} -> 
    {{154534, 60809, 74753}, {"L-Urobilin [ C33 H46 N4 O6, db=35.51, \
overall=17.75, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {256.24, 14.260359, "Meta"} -> {{47891, 109871, 27443}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=78.64, overall=39.32, Lipid \
ID=, KEGG ID= ]", ""}}, {387.3139, 14.260241, "Meta"} -> 
    {{48434, 65662, 59036}, {"", ""}}, {373.2977, 14.262173, "Meta"} -> 
    {{75195, 85242, 72014}, {"Arachidonoylmorpholine [ C24 H39 N O2, \
db=92.07, overall=46.03, Lipid ID=LMFA08020052, KEGG ID= ]", ""}}, 
   {227.1883, 14.25888, "Meta"} -> {{18786, 41153, 1}, {"", ""}}, 
   {310.2297, 14.267167, "Meta"} -> {{84230, 122445, 1}, 
     {"Desogestrel [ C22 H30 O, db=87.12, overall=43.56, KEGG ID=, CAS \
ID=54024-22-5 ]", "54024-22-5"}}, {402.2882, 14.268779, "Meta"} -> 
    {{742388, 1781607, 654927}, {"", ""}}, {359.2815, 14.267722, "Meta"} -> 
    {{6413103, 1.11*^7, 6363168}, {"", ""}}, {272.1768, 14.267366, "Meta"} -> 
    {{13147, 31049, 11760}, {"5,8,11-octadecatriynoic acid [ C18 H24 O2, \
db=55.08, overall=27.54, Lipid ID=, KEGG ID= ]", ""}}, 
   {390.3498, 14.261562, "Meta"} -> {{27307, 37474, 1}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=62.19, overall=31.10, \
Lipid ID=, KEGG ID= ]", ""}}, {440.2236, 14.264084, "Meta"} -> 
    {{44991, 57413, 30039}, {"", ""}}, {458.1971, 14.265822, "Meta"} -> 
    {{24241, 31348, 15930}, {"", ""}}, {722.4598, 14.266535, "Meta"} -> 
    {{13787, 29411, 100379}, {"", ""}}, {698.4571, 14.2792225, "Meta"} -> 
    {{29302, 40568, 17643}, {"", ""}}, {1016.7246, 14.284067, "Meta"} -> 
    {{64151, 83629, 32698}, {"", ""}}, {234.1617, 14.2904, "Meta"} -> 
    {{33997, 668409, 33502}, {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-\
9,11-didehydrovitamin D3 / 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, \
db=69.61, overall=34.81, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {416.2236, 14.286627, "Meta"} -> {{79379, 69224, 56968}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=73.66, \
overall=36.83, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {134.1094, 14.287377, "Meta"} -> {{127741, 212127, 1}, 
     {"p-Cymene [ C10 H14, db=86.48, overall=43.24, Lipid ID=LMPR01020045, \
KEGG ID=C06575 ]", ""}}, {349.2979, 14.288562, "Meta"} -> 
    {{54104, 73653, 48314}, {"Anandamide (20:3, n-3) [ C22 H39 N O2, \
db=74.63, overall=37.32, Lipid ID=LMFA08040005, KEGG ID= ]", ""}}, 
   {378.288, 14.29039, "Meta"} -> {{527224, 1230181, 461589}, {"", ""}}, 
   {1116.8062, 14.30288, "Meta"} -> {{98414, 173579, 92736}, {"", ""}}, 
   {286.2294, 14.290941, "Meta"} -> {{274581, 494622, 206318}, 
     {"11-cis-Retinol [ C20 H30 O, db=99.50, overall=49.75, Lipid \
ID=LMPR01090005, KEGG ID=C00899 ]", ""}}, {318.255, 14.292167, "Meta"} -> 
    {{1.13*^7, 1.74*^7, 7712977}, {"Allopregnanolone [ C21 H34 O2, db=64.02, \
overall=32.01, Lipid ID=LMST02030130, KEGG ID= ]", ""}}, 
   {1310.9695, 14.290519, "Meta"} -> {{18699, 24480, 1}, {"", ""}}, 
   {434.1969, 14.290781, "Meta"} -> {{37606, 29895, 20511}, 
     {"Trp Met Val [ C21 H30 N4 O4 S, db=56.25, overall=28.12 ]", ""}}, 
   {335.2815, 14.294109, "Meta"} -> {{5912578, 8690280, 6181646}, {"", ""}}, 
   {468.3816, 14.297306, "Meta"} -> {{3331057, 2008651, 1710531}, {"", ""}}, 
   {1044.7502, 14.296883, "Meta"} -> {{71103, 178930, 114972}, {"", ""}}, 
   {674.4608, 14.296427, "Meta"} -> {{38744, 39067, 27399}, {"", ""}}, 
   {1022.7092, 14.298482, "Meta"} -> {{31336, 65169, 1}, {"", ""}}, 
   {1963.3293, 14.298726, "Meta"} -> {{29598, 1, 43929}, {"", ""}}, 
   {577.3202, 14.3007145, "Meta"} -> {{32318, 27893, 16708}, 
     {"dihydro-alpha-ergocryptine [ C32 H43 N5 O5, db=34.25, overall=17.13, \
KEGG ID=, CAS ID= ]", ""}}, {1028.7731, 14.29594, "Meta"} -> 
    {{39754, 61108, 33961}, {"TG(22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z\
)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] [ C69 H104 O6, db=30.37, overall=15.19, \
Lipid ID=LMGL03012602, KEGG ID= ]", ""}}, {468.3218, 14.263261, "Meta"} -> 
    {{219398, 876518, 1}, {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,1\
1-didehydrovitamin D3 / 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=54.09, \
overall=27.05, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {1880.2303, 14.295215, "Meta"} -> {{146976, 113500, 95199}, {"", ""}}, 
   {562.4212, 14.302342, "Meta"} -> {{2299059, 2398026, 2602453}, {"", ""}}, 
   {952.666, 14.2989645, "Meta"} -> {{46869, 49642, 43132}, {"", ""}}, 
   {366.3494, 14.30147, "Meta"} -> {{15041, 20814, 12689}, 
     {"Nervonic acid [ C24 H46 O2, db=79.78, overall=39.89, KEGG ID=, CAS \
ID=506-37-6 ]", "506-37-6"}}, {484.287, 14.291407, "Meta"} -> 
    {{66129, 46966, 48943}, {"", ""}}, {661.7696, 14.304938, "Meta"} -> 
    {{57443, 50602, 32422}, {"", ""}}, {1836.2034, 14.306453, "Meta"} -> 
    {{175317, 162396, 129793}, {"", ""}}, {634.0719, 14.305877, "Meta"} -> 
    {{51610, 41385, 1}, {"", ""}}, {603.0685, 14.306771, "Meta"} -> 
    {{63382, 58809, 41886}, {"", ""}}, {604.7206, 14.3060255, "Meta"} -> 
    {{42703, 37011, 23117}, {"", ""}}, {1748.1512, 14.302379, "Meta"} -> 
    {{275615, 243181, 1}, {"", ""}}, {573.7178, 14.306849, "Meta"} -> 
    {{48149, 41545, 31425}, {"", ""}}, {1792.1765, 14.2968, "Meta"} -> 
    {{204029, 174226, 135596}, {"", ""}}, {60.0325, 14.311346, "Meta"} -> 
    {{167292, 448095, 1}, {"Urea [ C H4 N2 O, db=87.29, overall=43.65, KEGG \
ID=C00086, CAS ID=57-13-6 ]", "57-13-6"}}, {968.7169, 14.309335, "Meta"} -> 
    {{63219, 95092, 34119}, {"", ""}}, {1787.222, 14.30246, "Meta"} -> 
    {{119975, 125734, 140616}, {"", ""}}, {559.0424, 14.307241, "Meta"} -> 
    {{39688, 31474, 27825}, {"", ""}}, {590.0455, 14.306272, "Meta"} -> 
    {{44316, 34700, 22725}, {"", ""}}, {1831.2483, 14.304244, "Meta"} -> 
    {{90018, 19772, 103463}, {"", ""}}, {1743.1947, 14.307287, "Meta"} -> 
    {{149135, 191267, 1}, {"", ""}}, {647.0946, 14.304667, "Meta"} -> 
    {{53165, 57857, 35115}, {"", ""}}, {1699.1694, 14.298276, "Meta"} -> 
    {{178598, 182308, 206573}, {"", ""}}, {630.768, 14.307372, "Meta"} -> 
    {{55275, 33298, 33915}, {"", ""}}, {1665.057, 14.310457, "Meta"} -> 
    {{212099, 230796, 119251}, {"", ""}}, {2012.3074, 14.281552, "Meta"} -> 
    {{20696, 33421, 1}, {"", ""}}, {1924.2563, 14.306934, "Meta"} -> 
    {{69596, 70289, 58515}, {"", ""}}, {1616.0728, 14.3115015, "Meta"} -> 
    {{398342, 357982, 295141}, {"", ""}}, {1875.2738, 14.2969675, "Meta"} -> 
    {{55045, 73114, 83461}, {"", ""}}, {1550.0645, 14.311656, "Meta"} -> 
    {{40223, 489847, 1}, {"", ""}}, {648.7473, 14.305516, "Meta"} -> 
    {{27834, 44503, 1}, {"", ""}}, {1523.0645, 14.315276, "Meta"} -> 
    {{296597, 276752, 1}, {"", ""}}, {1506.0385, 14.314786, "Meta"} -> 
    {{53399, 498426, 1}, {"", ""}}, {1462.0117, 14.3143835, "Meta"} -> 
    {{598719, 543125, 426689}, {"", ""}}, {298.2506, 14.321658, "Meta"} -> 
    {{142666, 137182, 111785}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=73.00, overall=36.50, Lipid ID=, KEGG ID= ]", ""}}, 
   {650.4595, 14.318721, "Meta"} -> {{24218, 32729, 17470}, {"", ""}}, 
   {1435.0125, 14.319297, "Meta"} -> {{317131, 301901, 1}, {"", ""}}, 
   {152.1198, 14.325621, "Meta"} -> {{27429, 27330, 19370}, 
     {"Limonene-1,2-epoxide [ C10 H16 O, db=71.21, overall=35.61, Lipid \
ID=LMPR01020046, KEGG ID=C07271 ]", ""}}, {1417.9856, 14.31611, "Meta"} -> 
    {{81313, 591541, 18797}, {"", ""}}, {596.3593, 14.318885, "Meta"} -> 
    {{165012, 122845, 113696}, {"", ""}}, {1373.9594, 14.321887, "Meta"} -> 
    {{571162, 521704, 65436}, {"", ""}}, {944.712, 14.3222, "Meta"} -> 
    {{89577, 109230, 40981}, {"", ""}}, {196.1459, 14.323223, "Meta"} -> 
    {{10969, 1, 1}, {"4-dodecynoic acid [ C12 H20 O2, db=55.50, \
overall=27.75, Lipid ID=, KEGG ID= ]", ""}}, 
   {1329.9312, 14.326601, "Meta"} -> {{514684, 500543, 371879}, {"", ""}}, 
   {1346.9602, 14.32572, "Meta"} -> {{259290, 269284, 1}, {"", ""}}, 
   {626.4591, 14.3310995, "Meta"} -> {{104638, 28220, 23054}, {"", ""}}, 
   {244.2189, 14.325999, "Meta"} -> {{74171, 132566, 55799}, {"", ""}}, 
   {325.2979, 14.328285, "Meta"} -> {{40855, 41782, 29310}, 
     {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, db=68.35, overall=34.18, \
KEGG ID=, CAS ID= ]", ""}}, {294.2551, 14.3272505, "Meta"} -> 
    {{9888555, 1.68*^7, 6547135}, {"Sterculic acid [ C19 H34 O2, db=82.34, \
overall=41.17, Lipid ID=LMFA01030190, KEGG ID= ]", ""}}, 
   {262.2296, 14.327582, "Meta"} -> {{311449, 561050, 226945}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=81.28, overall=40.64, Lipid \
ID=, KEGG ID= ]", ""}}, {238.1927, 14.326264, "Meta"} -> 
    {{12255, 25538, 1}, {"3-pentadecynoic acid [ C15 H26 O2, db=57.86, \
overall=28.93, Lipid ID=, KEGG ID= ]", ""}}, {392.2238, 14.332555, "Meta"} -> 
    {{120118, 146187, 86883}, {"6b-Hydroxycortisol [ C22 H32 O6, db=57.81, \
overall=28.91, KEGG ID=, CAS ID=53-35-0 ]", "53-35-0"}}, 
   {1285.907, 14.330352, "Meta"} -> {{448752, 453179, 330874}, {"", ""}}, 
   {198.1614, 14.327666, "Meta"} -> {{67864, 41338, 1}, 
     {"9-lauroleic acid [ C12 H22 O2, db=55.65, overall=27.83, Lipid \
ID=LMFA01030041, KEGG ID= ]", ""}}, {311.2817, 14.328415, "Meta"} -> 
    {{4248120, 6433781, 4295670}, {"", ""}}, {354.2882, 14.326629, "Meta"} -> 
    {{595278, 1325688, 539024}, {"", ""}}, {1241.8809, 14.334071, "Meta"} -> 
    {{357255, 321231, 266757}, {"", ""}}, {410.1968, 14.332834, "Meta"} -> 
    {{37382, 1, 20198}, {"", ""}}, {920.7121, 14.328693, "Meta"} -> 
    {{110550, 151895, 65129}, {"", ""}}, {372.3238, 14.330667, "Meta"} -> 
    {{21398, 180912, 37890}, {"13,14-dihydroxy-docosanoic acid [ C22 H44 O4, \
db=92.68, overall=46.34, Lipid ID=, KEGG ID= ]", ""}}, 
   {1180.7678, 14.332838, "Meta"} -> {{93722, 1, 56855}, {"", ""}}, 
   {1214.8828, 14.336967, "Meta"} -> {{90241, 103899, 91157}, {"", ""}}, 
   {1258.907, 14.333887, "Meta"} -> {{129196, 160743, 135758}, {"", ""}}, 
   {1170.852, 14.335778, "Meta"} -> {{116547, 230086, 190230}, {"", ""}}, 
   {1197.8549, 14.342236, "Meta"} -> {{304478, 352508, 214868}, {"", ""}}, 
   {1202.8094, 14.343749, "Meta"} -> {{75149, 37060, 30650}, {"", ""}}, 
   {1246.8376, 14.333188, "Meta"} -> {{55991, 261204, 34748}, {"", ""}}, 
   {1070.7347, 14.356584, "Meta"} -> {{59621, 1, 1}, {"", ""}}, 
   {587.9054, 14.341818, "Meta"} -> {{64606, 73287, 45242}, {"", ""}}, 
   {754.5154, 14.349834, "Meta"} -> {{61267, 85280, 1}, {"", ""}}, 
   {576.9138, 14.348359, "Meta"} -> {{111884, 1, 84710}, {"", ""}}, 
   {442.4017, 14.35682, "Meta"} -> {{73323, 126665, 57407}, {"", ""}}, 
   {424.3913, 14.357807, "Meta"} -> {{16402, 30186, 15637}, {"", ""}}, 
   {406.3808, 14.358058, "Meta"} -> {{17869, 29697, 14001}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=83.65, \
overall=41.82, Lipid ID=, KEGG ID= ]", ""}}, 
   {1109.8003, 14.359261, "Meta"} -> {{49872, 45862, 36152}, {"", ""}}, 
   {880.6371, 14.358142, "Meta"} -> {{21506, 1, 1}, {"", ""}}, 
   {854.6613, 14.358676, "Meta"} -> {{10906, 22506, 1}, {"", ""}}, 
   {802.5359, 14.362123, "Meta"} -> {{2904900, 2833934, 2419768}, {"", ""}}, 
   {390.2761, 14.363417, "Meta"} -> {{2.26*^7, 9673556, 2.17*^7}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=96.27, \
overall=48.13, Lipid ID=, KEGG ID= ]", ""}}, {166.0263, 14.363825, "Meta"} -> 
    {{59123, 52730, 68584}, {"Benzoquinoneacetic acid [ C8 H6 O4, db=86.34, \
overall=43.17, HMP ID=HMDB02334, KEGG ID= ]", ""}}, 
   {506.2177, 14.361897, "Meta"} -> {{68221, 29016, 40882}, {"", ""}}, 
   {488.2453, 14.363861, "Meta"} -> {{82424, 45407, 68437}, 
     {"(3a,5b,7a,12a)-3,7-dihydroxy-12-(sulfooxy)cholan-24-oic acid [ C24 H40 \
O8 S, db=80.09, overall=40.05, HMP ID=HMDB02600, KEGG ID= ]", ""}}, 
   {1065.7736, 14.364685, "Meta"} -> {{25969, 48048, 27612}, {"", ""}}, 
   {148.0158, 14.363888, "Meta"} -> {{477433, 443334, 589611}, {"", ""}}, 
   {435.3347, 14.36872, "Meta"} -> {{390286, 365899, 689422}, {"", ""}}, 
   {260.1407, 14.364168, "Meta"} -> {{28805, 29785, 33365}, {"", ""}}, 
   {510.3212, 14.366528, "Meta"} -> {{174810, 176022, 205919}, 
     {"GPCho(8:0/8:0) [ C24 H49 N O8 P, db=69.20, overall=34.60, Lipid \
ID=LMGP01011251, KEGG ID= ]", ""}}, {421.319, 14.36807, "Meta"} -> 
    {{96925, 81521, 124440}, {"", ""}}, {278.1517, 14.363973, "Meta"} -> 
    {{179078, 154582, 231735}, {"", ""}}, {56.0626, 14.364111, "Meta"} -> 
    {{184912, 1, 1}, {"", ""}}, {559.2364, 14.3670025, "Meta"} -> 
    {{73767, 52863, 50335}, {"", ""}}, {707.5107, 14.365907, "Meta"} -> 
    {{30419, 35541, 26825}, {"", ""}}, {723.5778, 14.369323, "Meta"} -> 
    {{159673, 141347, 142037}, {"", ""}}, {472.2919, 14.36994, "Meta"} -> 
    {{44238, 60374, 107648}, {"", ""}}, {612.496, 14.377229, "Meta"} -> 
    {{64338, 45468, 156468}, {"", ""}}, {693.5309, 14.366889, "Meta"} -> 
    {{157075, 114815, 166285}, {"", ""}}, {311.3178, 14.3759985, "Meta"} -> 
    {{1118081, 945995, 1016803}, {"", ""}}, {242.1879, 14.379251, "Meta"} -> 
    {{69417, 66604, 60346}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
db=85.66, overall=42.83, Lipid ID=, KEGG ID= ]", ""}}, 
   {206.1667, 14.376665, "Meta"} -> {{23505, 44260, 28381}, {"", ""}}, 
   {260.1984, 14.38937, "Meta"} -> {{57384, 56444, 55644}, 
     {"3,11-dihydroxy myristoic acid [ C14 H28 O4, db=63.47, overall=31.73, \
Lipid ID=LMFA01050081, KEGG ID= ]", ""}}, {996.7662, 14.379554, "Meta"} -> 
    {{20631, 19575, 15027}, {"", ""}}, {429.2323, 14.385517, "Meta"} -> 
    {{99790, 93501, 47579}, {"", ""}}, {2021.3699, 14.398199, "Meta"} -> 
    {{48310, 1, 28802}, {"", ""}}, {504.4169, 14.390971, "Meta"} -> 
    {{78403, 111928, 89715}, {"", ""}}, {540.4393, 14.375798, "Meta"} -> 
    {{136660, 1458490, 131869}, {"", ""}}, {890.7617, 14.388518, "Meta"} -> 
    {{37317, 130831, 1}, {"", ""}}, {298.2869, 14.3915205, "Meta"} -> 
    {{84775, 105722, 81732}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
db=67.14, overall=33.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {397.2157, 14.390834, "Meta"} -> {{37250, 39113, 1}, {"", ""}}, 
   {666.5123, 14.391109, "Meta"} -> {{75592, 131306, 77027}, {"", ""}}, 
   {400.2142, 14.393068, "Meta"} -> {{86242, 61879, 35656}, 
     {"Trp Pro Val [ C21 H28 N4 O4, db=30.15, overall=15.08 ]", ""}}, 
   {284.2715, 14.392412, "Meta"} -> {{181288, 273786, 174676}, 
     {"Stearic acid [ C18 H36 O2, db=99.03, overall=49.51, KEGG ID=, CAS \
ID=57-11-4 ]", "57-11-4"}}, {432.2395, 14.391428, "Meta"} -> 
    {{35945, 35657, 16372}, {"", ""}}, {382.2398, 14.392168, "Meta"} -> 
    {{194083, 252741, 142474}, {"", ""}}, {514.3634, 14.388402, "Meta"} -> 
    {{150993, 179581, 116387}, {"", ""}}, {442.2629, 14.3930025, "Meta"} -> 
    {{71249, 105301, 1}, {"", ""}}, {457.239, 14.3956, "Meta"} -> 
    {{25408, 26907, 24342}, {"", ""}}, {408.3599, 14.406938, "Meta"} -> 
    {{85991, 56320, 64810}, {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, \
db=75.02, overall=37.51, Lipid ID=, KEGG ID= ]", ""}}, 
   {1938.2709, 14.402037, "Meta"} -> {{121088, 107078, 69692}, {"", ""}}, 
   {250.193, 14.395028, "Meta"} -> {{96399, 110631, 104868}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=73.78, overall=36.89, \
Lipid ID=, KEGG ID= ]", ""}}, {301.2979, 14.39117, "Meta"} -> 
    {{12814, 22487, 22149}, {"Dihydrosphingosine [ C18 H39 N O2, db=85.23, \
overall=42.62, KEGG ID=C00836, CAS ID=764-22-7 ]", "764-22-7"}}, 
   {522.4279, 14.397862, "Meta"} -> {{162373, 226829, 168005}, {"", ""}}, 
   {1933.3156, 14.403201, "Meta"} -> {{64448, 73304, 67672}, {"", ""}}, 
   {416.2903, 14.408222, "Meta"} -> {{60971, 82316, 60352}, 
     {"(24R,25S)-25,26-epoxy-1alpha,24-dihydroxy-27-norvitamin D3 / \
(24R,25S)-25,26-epoxy-1alpha,24-dihydro [ C26 H40 O4, db=47.47, \
overall=23.74, Lipid ID=LMST03020037, KEGG ID= ]", ""}}, 
   {566.3937, 14.392841, "Meta"} -> {{198752, 60886, 1}, {"", ""}}, 
   {474.37, 14.399874, "Meta"} -> {{394529, 80180, 347833}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=85.87, \
overall=42.94, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {612.4365, 14.406086, "Meta"} -> {{550914, 702426, 326438}, {"", ""}}, 
   {470.3972, 14.407165, "Meta"} -> {{159095, 174498, 140008}, {"", ""}}, 
   {1850.2188, 14.408482, "Meta"} -> {{163936, 157507, 102010}, {"", ""}}, 
   {566.4545, 14.401355, "Meta"} -> {{147607, 1073039, 86223}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=61.55, overall=30.77, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {443.3973, 14.4052, "Meta"} -> 
    {{79520, 79053, 102819}, {"", ""}}, {681.1175, 14.41128, "Meta"} -> 
    {{23637, 22876, 1}, {"", ""}}, {1899.2042, 14.408434, "Meta"} -> 
    {{76396, 70177, 1}, {"", ""}}, {1943.2288, 14.400298, "Meta"} -> 
    {{50412, 60384, 1}, {"", ""}}, {664.7895, 14.409922, "Meta"} -> 
    {{22750, 40830, 1}, {"", ""}}, {448.3536, 14.37326, "Meta"} -> 
    {{779824, 1202082, 398578}, {"Teasterone [ C28 H48 O4, db=51.26, \
overall=25.63, Lipid ID=LMST01030121, KEGG ID= ]", ""}}, 
   {1806.1923, 14.411065, "Meta"} -> {{186890, 164762, 135799}, {"", ""}}, 
   {486.4034, 14.407399, "Meta"} -> {{43034, 1, 49201}, 
     {"1alpha,25-dihydroxy-2beta-pentylvitamin D3 / \
1alpha,25-dihydroxy-2beta-pentylcholecalciferol [ C32 H54 O3, db=34.55, \
overall=17.27, Lipid ID=LMST03020520, KEGG ID= ]", ""}}, 
   {1855.1772, 14.401386, "Meta"} -> {{111851, 98083, 42234}, {"", ""}}, 
   {651.7665, 14.412334, "Meta"} -> {{39801, 29376, 28864}, {"", ""}}, 
   {593.0646, 14.419587, "Meta"} -> {{35039, 24375, 27294}, {"", ""}}, 
   {370.3077, 14.410557, "Meta"} -> {{742960, 2829882, 810859}, 
     {"Docosanedioic acid [ C22 H42 O4, db=97.13, overall=48.56, Lipid \
ID=LMFA01170037, KEGG ID= ]", ""}}, {404.3647, 14.4150305, "Meta"} -> 
    {{54097, 70662, 45964}, {"5beta-Cholestane-3alpha,7alpha-diol [ C27 H48 \
O2, db=79.14, overall=39.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {1757.2117, 14.41254, "Meta"} -> {{138516, 1, 1}, {"", ""}}, 
   {1801.2352, 14.410735, "Meta"} -> {{103977, 146012, 126101}, {"", ""}}, 
   {1811.1512, 14.408364, "Meta"} -> {{102829, 24532, 29744}, {"", ""}}, 
   {1762.1667, 14.414145, "Meta"} -> {{203184, 190113, 1}, {"", ""}}, 
   {390.3488, 14.408688, "Meta"} -> {{104126, 94790, 66162}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=54.78, overall=27.39, \
Lipid ID=, KEGG ID= ]", ""}}, {583.4808, 14.395259, "Meta"} -> 
    {{45496, 29686, 39242}, {"", ""}}, {637.0912, 14.41594, "Meta"} -> 
    {{37830, 35156, 32220}, {"", ""}}, {511.4232, 14.415657, "Meta"} -> 
    {{117880, 94904, 114603}, {"", ""}}, {387.335, 14.411082, "Meta"} -> 
    {{65451, 174727, 96434}, {"", ""}}, {470.097, 14.418974, "Meta"} -> 
    {{4044211, 161430, 58961}, {"", ""}}, {493.0873, 14.415969, "Meta"} -> 
    {{59462, 1, 1}, {"", ""}}, {1723.0979, 14.419501, "Meta"} -> 
    {{115377, 146234, 30606}, {"", ""}}, {1625.133, 14.422751, "Meta"} -> 
    {{153700, 219642, 205598}, {"", ""}}, {1630.0883, 14.423135, "Meta"} -> 
    {{273594, 272812, 192065}, {"", ""}}, {1635.048, 14.425599, "Meta"} -> 
    {{158334, 149203, 65150}, {"", ""}}, {1586.0623, 14.426733, "Meta"} -> 
    {{304092, 326878, 210224}, {"", ""}}, {447.2265, 14.425441, "Meta"} -> 
    {{18139, 22877, 19090}, 
     {"Ser Arg Trp [ C20 H29 N7 O5, db=50.01, overall=25.00 ]", ""}}, 
   {1581.1057, 14.426365, "Meta"} -> {{196032, 158206, 213821}, {"", ""}}, 
   {404.3037, 14.428638, "Meta"} -> {{432899, 774804, 316936}, {"", ""}}, 
   {1542.0363, 14.429039, "Meta"} -> {{299209, 294872, 1}, {"", ""}}, 
   {375.3134, 14.427285, "Meta"} -> {{43608, 34986, 47128}, 
     {"N-(1,1-dimethyl-2-hydroxy-ethyl) arachidonoyl amine [ C24 H41 N O2, \
db=81.75, overall=40.88, Lipid ID=LMFA08020019, KEGG ID= ]", ""}}, 
   {1591.0197, 14.430484, "Meta"} -> {{166689, 177550, 54724}, {"", ""}}, 
   {361.2974, 14.432083, "Meta"} -> {{3172638, 5131537, 3203234}, 
     {"N-methyl N-(2-hydroxy-ethyl) arachidonoyl amine [ C23 H39 N O2, \
db=97.58, overall=48.79, Lipid ID=LMFA08020025, KEGG ID= ]", ""}}, 
   {344.2712, 14.433056, "Meta"} -> {{3285438, 5995830, 2043125}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=99.04, \
overall=49.52, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {1546.9941, 14.433572, "Meta"} -> {{161668, 161334, 74570}, {"", ""}}, 
   {1476.0247, 14.427167, "Meta"} -> {{326883, 1, 31818}, {"", ""}}, 
   {506.4327, 14.461076, "Meta"} -> {{69265, 1, 1}, {"", ""}}, 
   {1502.967, 14.438209, "Meta"} -> {{147298, 137744, 1}, {"", ""}}, 
   {420.3577, 14.4446125, "Meta"} -> {{49118, 76130, 55635}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=65.27, \
overall=32.64, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {1387.9729, 14.434806, "Meta"} -> {{45094, 1, 1}, {"", ""}}, 
   {1493.0544, 14.434714, "Meta"} -> {{183113, 213666, 1}, {"", ""}}, 
   {511.2607, 14.419092, "Meta"} -> {{71228, 41219, 51300}, {"", ""}}, 
   {1449.0283, 14.43929, "Meta"} -> {{153975, 176496, 205287}, {"", ""}}, 
   {380.3653, 14.448362, "Meta"} -> {{54608, 104919, 55226}, 
     {"17Z-pentacosenoic acid [ C25 H48 O2, db=96.33, overall=48.17, Lipid \
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    {{134238, 189980, 166260}, {"CL(1'-[16:0/18:1(11Z)],3'-[16:0/18:1(11Z)]) \
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   {1316.9497, 14.455285, "Meta"} -> {{65842, 100189, 112706}, {"", ""}}, 
   {438.3322, 14.440999, "Meta"} -> {{61772, 1, 60446}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=78.36, \
overall=39.18, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {1277.8792, 14.461234, "Meta"} -> {{94931, 99463, 61021}, {"", ""}}, 
   {1118.9772, 14.463029, "Meta"} -> {{69948, 83362, 60989}, {"", ""}}, 
   {636.9634, 14.461871, "Meta"} -> {{19826, 1, 22685}, {"", ""}}, 
   {848.7128, 14.462386, "Meta"} -> {{20105, 1, 1}, {"", ""}}, 
   {1238.8083, 14.467372, "Meta"} -> {{33962, 43266, 17122}, {"", ""}}, 
   {270.2551, 14.466167, "Meta"} -> {{6186885, 1.63*^7, 3433970}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=94.77, overall=47.38, \
Lipid ID=, KEGG ID= ]", ""}}, {287.2824, 14.466778, "Meta"} -> 
    {{627732, 1278209, 589402}, {"C17 Sphinganine [ C17 H37 N O2, db=99.39, \
overall=49.69, Lipid ID=LMSP01040003, KEGG ID= ]", ""}}, 
   {400.334, 14.474161, "Meta"} -> {{55438, 215424, 42369}, 
     {"(5E)-1alpha-hydroxy-3-epivitamin D_3 / \
(5E)-1alpha-hydroxy-3-epicholecalciferol [ C27 H44 O2, db=88.78, \
overall=44.39, Lipid ID=LMST03020234, KEGG ID= ]", ""}}, 
   {1194.7839, 14.473861, "Meta"} -> {{21685, 19113, 1}, {"", ""}}, 
   {1168.9875, 14.479252, "Meta"} -> {{15632, 27864, 20105}, {"", ""}}, 
   {330.2883, 14.466946, "Meta"} -> {{125256, 277434, 99219}, {"", ""}}, 
   {320.2708, 14.478832, "Meta"} -> {{4836181, 9693213, 3231472}, 
     {"3a,20b-Pregnanediol [ C21 H36 O2, db=92.32, overall=46.16, HMP \
ID=HMDB02156, KEGG ID= ]", ""}}, {684.1372, 14.495041, "Meta"} -> 
    {{37785, 44299, 53722}, {"", ""}}, {418.2392, 14.489999, "Meta"} -> 
    {{30750, 25513, 18029}, 
     {"Met Arg Leu [ C17 H34 N6 O4 S, db=55.58, overall=27.79 ]", ""}}, 
   {337.2972, 14.478779, "Meta"} -> {{3303541, 6269717, 3429100}, {"", ""}}, 
   {948.7409, 14.486519, "Meta"} -> {{109434, 78078, 90633}, {"", ""}}, 
   {288.2448, 14.4851265, "Meta"} -> {{33436, 74213, 35213}, 
     {"8-[5]-ladderane-1-octanol [ C20 H32 O, db=62.66, overall=31.33, Lipid \
ID=, KEGG ID= ]", ""}}, {380.3036, 14.478943, "Meta"} -> 
    {{316356, 587245, 265614}, {"", ""}}, {351.3139, 14.491401, "Meta"} -> 
    {{34782, 43152, 43707}, {"Anandamide (20:2, n-6) [ C22 H41 N O2, \
db=69.92, overall=34.96, Lipid ID=LMFA08040002, KEGG ID= ]", ""}}, 
   {1124.8135, 14.482899, "Meta"} -> {{98561, 79563, 50615}, {"", ""}}, 
   {654.7867, 14.500103, "Meta"} -> {{53160, 56219, 39130}, {"", ""}}, 
   {671.1134, 14.4969425, "Meta"} -> {{50395, 55049, 34944}, {"", ""}}, 
   {645.3889, 14.488171, "Meta"} -> {{201391, 129383, 108156}, {"", ""}}, 
   {426.2745, 14.497218, "Meta"} -> {{56069, 201849, 34302}, 
     {"(23S)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone [ C27 H38 \
O4, db=63.52, overall=31.76, Lipid ID=LMST03020599, KEGG ID= ]", ""}}, 
   {685.7893, 14.4935665, "Meta"} -> {{44075, 43057, 1}, {"", ""}}, 
   {1947.3323, 14.498856, "Meta"} -> {{55876, 63109, 59282}, {"", ""}}, 
   {1996.3118, 14.491321, "Meta"} -> {{81307, 1, 42486}, {"", ""}}, 
   {641.7627, 14.502058, "Meta"} -> {{51736, 45628, 32493}, {"", ""}}, 
   {636.4919, 14.474574, "Meta"} -> {{105035, 246139, 84387}, {"", ""}}, 
   {2040.3385, 14.493648, "Meta"} -> {{68739, 42227, 1}, {"", ""}}, 
   {627.0879, 14.50506, "Meta"} -> {{37988, 37681, 28703}, {"", ""}}, 
   {1991.3583, 14.495925, "Meta"} -> {{46222, 1, 52656}, {"", ""}}, 
   {494.3971, 14.493335, "Meta"} -> {{248096, 1, 211447}, {"", ""}}, 
   {592.4704, 14.502999, "Meta"} -> {{2931480, 2888730, 2335750}, {"", ""}}, 
   {919.681, 14.505394, "Meta"} -> {{38508, 1, 1}, {"", ""}}, 
   {807.8639, 14.509769, "Meta"} -> {{57373, 46240, 29563}, {"", ""}}, 
   {1903.3048, 14.502486, "Meta"} -> {{40467, 88441, 71327}, {"", ""}}, 
   {793.1883, 14.512266, "Meta"} -> {{51137, 48055, 40482}, {"", ""}}, 
   {1952.2863, 14.502277, "Meta"} -> {{67540, 64125, 1}, {"", ""}}, 
   {1869.194, 14.502086, "Meta"} -> {{47860, 67698, 1}, {"", ""}}, 
   {1908.2607, 14.504808, "Meta"} -> {{103415, 93585, 88076}, {"", ""}}, 
   {1820.2089, 14.511034, "Meta"} -> {{141251, 135258, 1}, {"", ""}}, 
   {963.707, 14.513001, "Meta"} -> {{36794, 1, 1}, {"", ""}}, 
   {1781.1418, 14.511568, "Meta"} -> {{118814, 1, 42779}, {"", ""}}, 
   {1776.1823, 14.514804, "Meta"} -> {{131583, 140782, 1}, {"", ""}}, 
   {386.3397, 14.511031, "Meta"} -> {{73590, 290560, 109113}, 
     {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=96.95, overall=48.47, KEGG \
ID=, CAS ID= ]", ""}}, {1815.2509, 14.512214, "Meta"} -> 
    {{88730, 101558, 1}, {"", ""}}, {252.2088, 14.522425, "Meta"} -> 
    {{29635, 1, 29483}, {"2E,4E-hexadecadienoic acid [ C16 H28 O2, db=60.20, \
overall=30.10, Lipid ID=, KEGG ID= ]", ""}}, 
   {1771.2264, 14.515609, "Meta"} -> {{93179, 106268, 1}, {"", ""}}, 
   {294.2194, 14.478001, "Meta"} -> {{40565, 44025, 24143}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=80.00, overall=40.00, \
Lipid ID=, KEGG ID= ]", ""}}, {546.4281, 14.479806, "Meta"} -> 
    {{148637, 337413, 329765}, {"", ""}}, {749.1626, 14.516725, "Meta"} -> 
    {{52094, 54695, 41970}, {"", ""}}, {596.4413, 14.516907, "Meta"} -> 
    {{168123, 170303, 241257}, {"", ""}}, {278.2243, 14.527305, "Meta"} -> 
    {{703923, 291918, 280854}, {"beta-eleostearic acid [ C18 H30 O2, \
db=62.70, overall=31.35, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {763.8373, 14.514566, "Meta"} -> {{52247, 53682, 61404}, {"", ""}}, 
   {276.2084, 14.51291, "Meta"} -> {{52584, 1, 32825}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=79.59, overall=39.79, Lipid \
ID=, KEGG ID= ]", ""}}, {1222.882, 14.507078, "Meta"} -> 
    {{96754, 82199, 40510}, {"", ""}}, {1693.0908, 14.519001, "Meta"} -> 
    {{93217, 98760, 1}, {"", ""}}, {1683.1736, 14.522961, "Meta"} -> 
    {{112603, 1, 151012}, {"", ""}}, {576.4755, 14.530964, "Meta"} -> 
    {{1349227, 1132816, 1177237}, {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadi\
enoyl)-sn-glycerol [ C36 H64 O5, db=81.99, overall=40.99, KEGG ID=, CAS ID= \
]", ""}}, {1112.8135, 14.532041, "Meta"} -> {{55049, 1, 24691}, {"", ""}}, 
   {1551.0957, 14.537624, "Meta"} -> {{101933, 121411, 117355}, {"", ""}}, 
   {1507.0687, 14.543251, "Meta"} -> {{82510, 1, 112447}, {"", ""}}, 
   {1463.0459, 14.548631, "Meta"} -> {{85552, 102670, 96946}, {"", ""}}, 
   {412.2124, 14.560958, "Meta"} -> {{31096, 24335, 1}, {"", ""}}, 
   {264.2448, 14.558638, "Meta"} -> {{56586, 132769, 45276}, 
     {"9,12-octadecadienal [ C18 H32 O, db=90.59, overall=45.30, Lipid ID=, \
KEGG ID= ]", ""}}, {296.2707, 14.557776, "Meta"} -> 
    {{5859116, 1.19*^7, 3568957}, {"10-methylene-octadecanoic acid [ C19 H36 \
O2, db=84.40, overall=42.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {394.2399, 14.56191, "Meta"} -> {{58933, 84196, 41554}, {"", ""}}, 
   {356.3036, 14.558113, "Meta"} -> {{212508, 367370, 217736}, {"", ""}}, 
   {313.2974, 14.558834, "Meta"} -> {{1874946, 3748462, 1822557}, 
     {"N-(2-hydroxyethyl)heptadecanamide [ C19 H39 N O2, db=99.60, \
overall=49.80, KEGG ID=, CAS ID= ]", ""}}, {327.3145, 14.5584135, "Meta"} -> 
    {{14888, 1, 1}, {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, db=63.74, \
overall=31.87, KEGG ID=, CAS ID= ]", ""}}, {496.4124, 14.55775, "Meta"} -> 
    {{72777, 54052, 62235}, {"", ""}}, {1330.9644, 14.569345, "Meta"} -> 
    {{46396, 44811, 38739}, {"", ""}}, {1224.9006, 14.558654, "Meta"} -> 
    {{200073, 143331, 98516}, {"", ""}}, {719.8112, 14.559839, "Meta"} -> 
    {{30107, 19143, 20998}, {"", ""}}, {323.3189, 14.573417, "Meta"} -> 
    {{44967, 229700, 76979}, {"", ""}}, {2054.3523, 14.574896, "Meta"} -> 
    {{68666, 43812, 43579}, {"", ""}}, {563.4318, 14.564408, "Meta"} -> 
    {{209560, 814097, 1}, {"", ""}}, {827.2118, 14.585125, "Meta"} -> 
    {{53815, 46324, 31346}, {"", ""}}, {387.3137, 14.578861, "Meta"} -> 
    {{77913, 116714, 83934}, {"", ""}}, {1128.8441, 14.582754, "Meta"} -> 
    {{86028, 1, 46308}, {"", ""}}, {180.1507, 14.5836115, "Meta"} -> 
    {{55707, 43177, 44287}, {"3,6,8-dodecatrien-1-ol [ C12 H20 O, db=70.80, \
overall=35.40, Lipid ID=, KEGG ID= ]", ""}}, {435.3027, 14.588826, "Meta"} -> 
    {{54267, 104427, 34873}, {"", ""}}, {394.3806, 14.587612, "Meta"} -> 
    {{37429, 67499, 35628}, {"Ximenic acid [ C26 H50 O2, db=85.28, \
overall=42.64, Lipid ID=LMFA01030095, KEGG ID= ]", ""}}, 
   {337.3338, 14.585556, "Meta"} -> {{4703341, 1.11*^7, 4018611}, {"", ""}}, 
   {198.1615, 14.583165, "Meta"} -> {{202191, 140118, 196729}, 
     {"9-lauroleic acid [ C12 H22 O2, db=95.30, overall=47.65, Lipid \
ID=LMFA01030041, KEGG ID= ]", ""}}, {457.3779, 14.587459, "Meta"} -> 
    {{51427, 74415, 60637}, {"", ""}}, {397.3668, 14.5889435, "Meta"} -> 
    {{484513, 764615, 500842}, {"", ""}}, {518.3949, 14.583486, "Meta"} -> 
    {{597911, 395571, 1}, {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitam\
in D3 / 1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=54.02, \
overall=27.01, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {382.3923, 14.588941, "Meta"} -> {{61506, 108224, 127709}, {"", ""}}, 
   {618.6064, 14.58071, "Meta"} -> {{58435, 104163, 42479}, {"", ""}}, 
   {2010.329, 14.5813465, "Meta"} -> {{67233, 26185, 41037}, {"", ""}}, 
   {749.5934, 14.587584, "Meta"} -> {{70053, 74876, 59973}, {"", ""}}, 
   {434.3736, 14.585371, "Meta"} -> {{34585, 41680, 37998}, 
     {"6-deoxoteasterone [ C28 H50 O3, db=57.43, overall=28.72, Lipid \
ID=LMST01030120, KEGG ID= ]", ""}}, {368.3762, 14.587169, "Meta"} -> 
    {{20270, 35427, 30008}, {"", ""}}, {675.7857, 14.585401, "Meta"} -> 
    {{30049, 41211, 30077}, {"", ""}}, {570.4849, 14.596359, "Meta"} -> 
    {{110155, 70780, 83480}, {"Dihydrospheroidene/ Methoxyneurosporene [ C41 \
H62 O, db=48.91, overall=24.45, Lipid ID=LMPR01070149, KEGG ID= ]", ""}}, 
   {646.5057, 14.597443, "Meta"} -> {{193420, 1288099, 107975}, {"", ""}}, 
   {777.6257, 14.593777, "Meta"} -> {{156300, 1210375, 57926}, {"", ""}}, 
   {1878.251, 14.597361, "Meta"} -> {{89066, 15665, 55228}, {"", ""}}, 
   {1873.2964, 14.601121, "Meta"} -> {{64627, 1, 57706}, {"", ""}}, 
   {609.4976, 14.601, "Meta"} -> {{98965, 1, 123345}, {"", ""}}, 
   {1834.2249, 14.605593, "Meta"} -> {{111906, 83332, 58290}, {"", ""}}, 
   {1829.2671, 14.605332, "Meta"} -> {{47520, 79864, 65754}, {"", ""}}, 
   {346.287, 14.613888, "Meta"} -> {{881501, 937563, 553821}, 
     {"24-Nor-5beta-chol-22-ene-3alpha,7alpha-diol [ C23 H38 O2, db=97.06, \
overall=48.53, Lipid ID=, KEGG ID= ]", ""}}, {406.3194, 14.615638, "Meta"} -> 
    {{100499, 89986, 84046}, {"", ""}}, {311.3186, 14.611917, "Meta"} -> 
    {{247008, 1209041, 289949}, {"", ""}}, {363.3137, 14.614585, "Meta"} -> 
    {{830820, 1140460, 796739}, {"", ""}}, {1226.9174, 14.610486, "Meta"} -> 
    {{488605, 346951, 1}, {"", ""}}, {278.2243, 14.622764, "Meta"} -> 
    {{459434, 293835, 416163}, {"beta-eleostearic acid [ C18 H30 O2, \
db=84.86, overall=42.43, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {542.3945, 14.613458, "Meta"} -> {{297659, 1, 208371}, {"", ""}}, 
   {1697.1888, 14.622085, "Meta"} -> {{50624, 1, 60815}, {"", ""}}, 
   {472.3105, 14.623701, "Meta"} -> {{13808, 87069, 36006}, {"", ""}}, 
   {296.2356, 14.625435, "Meta"} -> {{614096, 360368, 490288}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.09, \
overall=42.54, Lipid ID=, KEGG ID= ]", ""}}, {656.4034, 14.607423, "Meta"} -> 
    {{203585, 63570, 76802}, {"", ""}}, {643.4046, 14.619277, "Meta"} -> 
    {{230723, 146345, 1}, {"", ""}}, {418.3076, 14.641639, "Meta"} -> 
    {{9063923, 6.24*^7, 2906032}, {"(24S)-1alpha,24-dihydroxy-22-oxavitamin \
D3 / (24S)-1alpha,24-dihydroxy-22-oxacholecalciferol [ C26 H42 O4, db=97.91, \
overall=48.96, Lipid ID=LMST03020058, KEGG ID= ]", ""}}, 
   {558.4647, 14.630633, "Meta"} -> {{349642, 325137, 336463}, {"", ""}}, 
   {587.268, 14.647654, "Meta"} -> {{28171, 125687, 1}, {"", ""}}, 
   {594.4864, 14.647084, "Meta"} -> {{1.92*^7, 1.1*^7, 1.94*^7}, 
     {"GPCho(O-12:0/O-12:0[U]) [ C32 H69 N O6 P, db=61.40, overall=30.70, \
Lipid ID=LMGP01040016, KEGG ID= ]", ""}}, {538.3521, 14.644695, "Meta"} -> 
    {{120085, 425958, 36991}, {"GPCho(16:0/2:0[U]) [ C26 H53 N O8 P, \
db=80.02, overall=40.01, Lipid ID=LMGP01010614, KEGG ID= ]", ""}}, 
   {463.3662, 14.650472, "Meta"} -> {{221071, 1508991, 130912}, {"", ""}}, 
   {1241.8918, 14.621572, "Meta"} -> {{219012, 1, 79569}, {"", ""}}, 
   {446.3732, 14.566853, "Meta"} -> {{26375, 1, 47315}, {"", ""}}, 
   {611.5125, 14.659333, "Meta"} -> {{1018591, 566435, 1122006}, {"", ""}}, 
   {477.3818, 14.653285, "Meta"} -> {{67822, 589450, 75268}, {"", ""}}, 
   {284.2714, 14.654392, "Meta"} -> {{272634, 666208, 161568}, 
     {"Stearic acid [ C18 H36 O2, db=98.08, overall=49.04, KEGG ID=, CAS \
ID=57-11-4 ]", "57-11-4"}}, {1244.8976, 14.639069, "Meta"} -> 
    {{597404, 1, 345303}, {"", ""}}, {576.4755, 14.647612, "Meta"} -> 
    {{1052094, 808191, 936884}, {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadien\
oyl)-sn-glycerol [ C36 H64 O5, db=63.86, overall=31.93, KEGG ID=, CAS ID= ]", 
      ""}}, {404.3652, 14.650456, "Meta"} -> {{103583, 59418, 93779}, 
     {"5beta-Cholestane-3alpha,7alpha-diol [ C27 H48 O2, db=61.38, \
overall=30.69, Lipid ID=, KEGG ID= ]", ""}}, 
   {1228.9321, 14.649517, "Meta"} -> {{578214, 406747, 1}, {"", ""}}, 
   {301.298, 14.656277, "Meta"} -> {{49795, 133415, 33999}, 
     {"Dihydrosphingosine [ C18 H39 N O2, db=96.01, overall=48.00, KEGG \
ID=C00836, CAS ID=764-22-7 ]", "764-22-7"}}, {274.1567, 14.662207, "Meta"} -> 
    {{30114, 163485, 1}, {"2,4,6-Heptatrienoic acid, \
5-methyl-7-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-, (2E,4E,6E)- [ C17 H22 \
O3, db=85.11, overall=42.55, KEGG ID=, CAS ID=230976-85-9 ]", 
      "230976-85-9"}}, {504.4172, 14.684583, "Meta"} -> 
    {{116265, 1, 145868}, {"", ""}}, {572.4439, 14.696446, "Meta"} -> 
    {{701432, 274941, 1}, {"", ""}}, {420.3589, 14.700999, "Meta"} -> 
    {{65542, 28742, 37218}, {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, \
db=56.75, overall=28.37, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {672.5206, 14.677082, "Meta"} -> {{522105, 2348911, 268956}, {"", ""}}, 
   {1980.3177, 14.679613, "Meta"} -> {{61125, 59239, 47782}, {"", ""}}, 
   {339.3138, 14.689998, "Meta"} -> {{301751, 806110, 234595}, {"", ""}}, 
   {322.2869, 14.6890545, "Meta"} -> {{398942, 775911, 42734}, 
     {"18-methyl-5Z,9Z-eicosadienoic acid [ C21 H38 O2, db=89.79, \
overall=44.89, Lipid ID=, KEGG ID= ]", ""}}, {522.4285, 14.695344, "Meta"} -> 
    {{832519, 243143, 271205}, {"", ""}}, {710.4678, 14.679098, "Meta"} -> 
    {{53954, 141142, 1}, {"", ""}}, {382.3195, 14.691675, "Meta"} -> 
    {{58443, 101208, 47733}, {"", ""}}, {1931.3354, 14.685877, "Meta"} -> 
    {{49905, 54524, 1}, {"", ""}}, {690.5313, 14.693032, "Meta"} -> 
    {{39972, 96286, 1}, {"", ""}}, {1892.2664, 14.69138, "Meta"} -> 
    {{60611, 1, 1}, {"", ""}}, {410.3753, 14.702883, "Meta"} -> 
    {{68392, 129808, 60314}, {"", ""}}, {658.4167, 14.70937, "Meta"} -> 
    {{320975, 120435, 1}, {"", ""}}, {652.4213, 14.713416, "Meta"} -> 
    {{765707, 381766, 520357}, {"", ""}}, {316.2608, 14.722626, "Meta"} -> 
    {{629303, 613504, 379193}, {"7,8-dihydroxy stearic acid [ C18 H36 O4, \
db=57.03, overall=28.52, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {618.4829, 14.717896, "Meta"} -> {{1.59*^7, 8987175, 1}, {"", ""}}, 
   {464.3117, 14.712481, "Meta"} -> {{34112, 16820, 27855}, 
     {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic \
acid [ C27 H44 O6, db=72.18, overall=36.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {627.543, 14.723062, "Meta"} -> {{57899, 37780, 53951}, {"", ""}}, 
   {298.2502, 14.720165, "Meta"} -> {{3125435, 1989125, 1.91*^7}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=96.33, overall=48.16, \
Lipid ID=, KEGG ID= ]", ""}}, {364.2978, 14.71611, "Meta"} -> 
    {{247699, 652195, 166253}, {"24-Nor-5beta-cholane-3alpha,7alpha,23-triol \
[ C23 H40 O3, db=99.37, overall=49.68, KEGG ID=, CAS ID= ]", ""}}, 
   {787.8574, 14.717876, "Meta"} -> {{50748, 28635, 28491}, {"", ""}}, 
   {1248.9193, 14.717847, "Meta"} -> {{173817, 106176, 96685}, {"", ""}}, 
   {1214.9626, 14.718625, "Meta"} -> {{100448, 73248, 36604}, {"", ""}}, 
   {262.2295, 14.721832, "Meta"} -> {{125625, 132959, 104073}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=86.76, overall=43.38, Lipid \
ID=, KEGG ID= ]", ""}}, {280.2403, 14.721973, "Meta"} -> 
    {{2341049, 1739955, 1980423}, {"13E,17-octadecadienoic acid [ C18 H32 O2, \
db=99.20, overall=49.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {641.5592, 14.724205, "Meta"} -> {{70129, 66480, 80282}, {"", ""}}, 
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   {817.4938, 15.205028, "Meta"} -> {{155195, 216556, 137347}, {"", ""}}, 
   {742.5989, 15.195693, "Meta"} -> {{169175, 250479, 107601}, {"", ""}}, 
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   {877.5151, 15.209733, "Meta"} -> {{48573, 173301, 60887}, {"", ""}}, 
   {699.5203, 15.2439995, "Meta"} -> {{335724, 209872, 241034}, {"", ""}}, 
   {755.5462, 15.212457, "Meta"} -> {{6565722, 8271851, 1819934}, {"", ""}}, 
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   {793.4946, 15.208627, "Meta"} -> {{62367, 69949, 68065}, {"", ""}}, 
   {743.5466, 15.220714, "Meta"} -> {{298498, 1571785, 230036}, 
     {"GPEtn(18:1(11Z)/18:1(9Z))[U] [ C41 H78 N O8 P, db=99.02, \
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   {749.5362, 15.282715, "Meta"} -> {{1888419, 1, 1345368}, {"", ""}}, 
   {763.5492, 15.273, "Meta"} -> {{355140, 450001, 228176}, {"", ""}}, 
   {768.5456, 15.248776, "Meta"} -> {{107081, 26716, 120606}, {"", ""}}, 
   {705.5312, 15.229692, "Meta"} -> {{196563, 311477, 172127}, 
     {"GPEtn(13:0/20:0)[U] [ C38 H76 N O8 P, db=98.87, overall=49.43, Lipid \
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   {1507.0973, 15.282319, "Meta"} -> {{50995, 237384, 1}, {"", ""}}, 
   {1513.1108, 15.258419, "Meta"} -> {{198891, 764732, 152646}, {"", ""}}, 
   {781.5617, 15.302667, "Meta"} -> {{2.55*^7, 1, 1.76*^7}, {"", ""}}, 
   {791.5471, 15.207482, "Meta"} -> {{409203, 741420, 1}, 
     {"GPEtn(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C45 H78 N O8 P, db=91.60, \
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   {477.3215, 15.276964, "Meta"} -> {{107656, 57460, 95167}, {"", ""}}, 
   {1539.1245, 15.27988, "Meta"} -> {{1644366, 9152918, 1417386}, {"", ""}}, 
   {753.5661, 15.418102, "Meta"} -> {{52597, 294408, 188960}, {"", ""}}, 
   {743.5471, 15.343072, "Meta"} -> {{708005, 913459, 445326}, 
     {"GPEtn(18:1(11Z)/18:1(9Z))[U] [ C41 H78 N O8 P, db=55.86, \
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   {757.5618, 15.311637, "Meta"} -> {{4.67*^7, 7.37*^7, 4.22*^7}, 
     {"GPEtnNMe(18:1(9Z)/18:1(9Z))[U] [ C42 H80 N O8 P, db=97.69, \
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   {795.5096, 15.328752, "Meta"} -> {{722768, 195193, 880121}, 
     {"C16-OH Sulfatide [ C40 H77 N O12 S, db=59.98, overall=29.99, Lipid \
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    {{1343446, 4562205, 826553}, {"", ""}}, {1503.1248, 15.327734, "Meta"} -> 
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    {{1305690, 1015962, 1026438}, {"GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) [ \
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     {"", ""}}, {727.5516, 15.420054, "Meta"} -> {{374706, 233373, 316219}, 
     {"", ""}}, {808.6452, 15.39464, "Meta"} -> {{455911, 508379, 437482}, 
     {"", ""}}, {783.5774, 15.380324, "Meta"} -> {{1.3*^7, 3.05*^7, 1.4*^7}, 
     {"", ""}}, {821.5249, 15.379824, "Meta"} -> {{218104, 98165, 306512}, 
     {"", ""}}, {795.5782, 15.3712635, "Meta"} -> {{647282, 3859676, 504894}, 
     {"", ""}}, {741.5677, 15.385919, "Meta"} -> 
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    {{728283, 1279324, 905026}, {"GPEtn(20:2(5Z,8Z)/18:0)[S] [ C43 H82 N O8 \
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   {767.5836, 15.40575, "Meta"} -> {{4832504, 4962420, 3918168}, {"", ""}}, 
   {733.5626, 15.410744, "Meta"} -> {{347030, 593029, 346097}, 
     {"1,2-Dipalmitoylphosphatidylcholine [ C40 H80 N O8 P, db=98.64, \
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   {1543.1584, 15.457148, "Meta"} -> {{306175, 1600482, 262831}, {"", ""}}, 
   {1517.1411, 15.4230995, "Meta"} -> {{818968, 755462, 689043}, {"", ""}}, 
   {747.5776, 15.491241, "Meta"} -> {{34419, 55222, 45513}, 
     {"GPEtn(21:0/15:0)[U] [ C41 H82 N O8 P, db=47.57, overall=23.78, Lipid \
ID=LMGP02010219, KEGG ID= ]", ""}}, {797.5249, 15.449998, "Meta"} -> 
    {{455884, 87689, 553746}, {"", ""}}, {793.5993, 15.530659, "Meta"} -> 
    {{3589666, 2681681, 3733482}, {"", ""}}, 
   {1553.1772, 15.442857, "Meta"} -> {{248320, 1, 108191}, {"", ""}}, 
   {759.5772, 15.439802, "Meta"} -> {{1.61*^7, 3.36*^7, 1.95*^7}, {"", ""}}, 
   {1569.174, 15.464, "Meta"} -> {{617000, 5973660, 756295}, 
     {"CL(1'-[22:1(13Z)/22:1(13Z)],3'-[22:1(13Z)/14:1(9Z)])[rac] [ C89 H166 \
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   {721.5195, 15.531168, "Meta"} -> {{56297, 31134, 42311}, {"", ""}}, 
   {662.4464, 15.531808, "Meta"} -> {{141358, 58387, 301542}, {"", ""}}, 
   {743.5827, 15.514, "Meta"} -> {{1539842, 1886478, 1207231}, {"", ""}}, 
   {784.6467, 15.513362, "Meta"} -> {{2636675, 2658760, 2316557}, {"", ""}}, 
   {707.5041, 15.531445, "Meta"} -> {{80847, 30357, 136927}, {"", ""}}, 
   {809.593, 15.475028, "Meta"} -> {{8615357, 1.51*^7, 7627687}, {"", ""}}, 
   {797.5939, 15.47045, "Meta"} -> {{354749, 206989, 208336}, {"", ""}}, 
   {729.5674, 15.54406, "Meta"} -> {{57717, 145491, 59060}, {"", ""}}, 
   {717.5675, 15.483757, "Meta"} -> {{149971, 192107, 115857}, {"", ""}}, 
   {1545.174, 15.501686, "Meta"} -> {{501537, 3280121, 342348}, {"", ""}}, 
   {810.6619, 15.540002, "Meta"} -> {{4854480, 8059222, 4008206}, {"", ""}}, 
   {1609.1431, 15.548601, "Meta"} -> {{270655, 306672, 1}, {"", ""}}, 
   {785.5934, 15.537765, "Meta"} -> {{2.32*^7, 5.08*^7, 2.51*^7}, 
     {"Dioleoylphosphatidylcholine [ C44 H84 N O8 P, db=97.16, overall=48.58, \
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    {{322962, 216768, 81035}, {"", ""}}, {550.496, 15.595188, "Meta"} -> 
    {{18104, 11627, 33155}, {"1-O-(1Z-tetradecenyl)-2-(9Z-octadecenoyl)-sn-gl\
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   {823.542, 15.562964, "Meta"} -> {{757497, 299028, 686576}, 
     {"C18-OH Sulfatide [ C42 H81 N O12 S, db=59.42, overall=29.71, Lipid \
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    {{266321, 565264, 208434}, {"", ""}}, {585.5337, 15.609076, "Meta"} -> 
    {{26637, 11325, 45863}, {"", ""}}, {773.5942, 15.572484, "Meta"} -> 
    {{507770, 1385954, 592155}, {"GPEtn(20:0/18:1(13Z)) [ C43 H84 N O8 P, \
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   {835.6092, 15.570767, "Meta"} -> {{1174961, 2231821, 1}, {"", ""}}, 
   {645.6062, 15.626805, "Meta"} -> {{53890, 44931, 26293}, {"", ""}}, 
   {769.5986, 15.591242, "Meta"} -> {{1149843, 3025268, 1}, {"", ""}}, 
   {611.5487, 15.632804, "Meta"} -> {{21479, 29236, 42599}, {"", ""}}, 
   {719.5833, 15.57664, "Meta"} -> {{224501, 656562, 155828}, {"", ""}}, 
   {798.6622, 15.62175, "Meta"} -> {{1632278, 3312327, 1334512}, {"", ""}}, 
   {836.6093, 15.621436, "Meta"} -> {{72842, 71915, 368192}, 
     {"GPCho(18:0/22:5(4Z,7Z,10Z,13Z,16Z)[U]) [ C48 H87 N O8 P, db=12.94, \
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   {824.6755, 15.634373, "Meta"} -> {{96273, 249587, 78030}, {"", ""}}, 
   {849.5563, 15.625002, "Meta"} -> {{207489, 231912, 147931}, {"", ""}}, 
   {811.6088, 15.61939, "Meta"} -> {{6857157, 1.89*^7, 5943808}, {"", ""}}, 
   {637.5643, 15.681285, "Meta"} -> {{37872, 1, 86056}, {"", ""}}, 
   {745.5994, 15.617443, "Meta"} -> {{1570523, 4955863, 1056360}, {"", ""}}, 
   {642.5198, 15.686833, "Meta"} -> {{31318, 43751, 106133}, 
     {"1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol [ \
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   {1581.206, 15.608842, "Meta"} -> {{36724, 1121312, 49729}, {"", ""}}, 
   {795.6145, 15.647944, "Meta"} -> {{4996351, 1.3*^7, 2294259}, {"", ""}}, 
   {833.5642, 15.6496105, "Meta"} -> {{125303, 93052, 57322}, {"", ""}}, 
   {964.5729, 15.654156, "Meta"} -> {{89864, 101091, 1}, {"", ""}}, 
   {786.6616, 15.680306, "Meta"} -> {{1140923, 2351454, 702977}, {"", ""}}, 
   {633.6055, 15.705123, "Meta"} -> {{19448, 22072, 12863}, {"", ""}}, 
   {799.6104, 15.65322, "Meta"} -> {{229051, 454685, 141768}, 
     {"GPEtn(20:0/20:2(11Z,14Z)) [ C45 H86 N O8 P, db=93.83, overall=46.92, \
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    {{31359, 47109, 1}, {"", ""}}, {812.6763, 15.714558, "Meta"} -> 
    {{8075489, 2.27*^7, 5651366}, {"", ""}}, {821.6306, 15.726869, "Meta"} -> 
    {{1290151, 4372444, 791754}, {"", ""}}, {819.1161, 15.720408, "Meta"} -> 
    {{127650, 265981, 1}, {"", ""}}, {910.646, 15.731829, "Meta"} -> 
    {{96505, 214514, 168638}, {"", ""}}, {837.6252, 15.705371, "Meta"} -> 
    {{859820, 2053726, 732237}, {"", ""}}, {956.5681, 15.719221, "Meta"} -> 
    {{115822, 375422, 96057}, {"", ""}}, {787.6087, 15.709487, "Meta"} -> 
    {{5658664, 2.37*^7, 3390013}, {"", ""}}, {771.6146, 15.732927, "Meta"} -> 
    {{1033154, 3078306, 679518}, {"", ""}}, {901.5499, 15.709517, "Meta"} -> 
    {{181439, 336248, 1}, {"", ""}}, {885.5777, 15.722668, "Meta"} -> 
    {{134157, 243968, 1}, {"", ""}}, {838.69, 15.756972, "Meta"} -> 
    {{75054, 206588, 60276}, {"", ""}}, {826.6931, 15.772778, "Meta"} -> 
    {{507175, 1689806, 456637}, {"", ""}}, {578.5272, 15.79175, "Meta"} -> 
    {{138270, 243116, 271272}, {"", ""}}, {646.4517, 15.798346, "Meta"} -> 
    {{54335, 40570, 103200}, {"GPA(14:0/18:1(9Z)) [ C35 H67 O8 P, db=53.75, \
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   {629.6106, 15.80247, "Meta"} -> {{31846, 81481, 23869}, {"", ""}}, 
   {647.6218, 15.803638, "Meta"} -> {{239469, 506970, 192111}, 
     {"Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, db=94.85, overall=47.43, \
HMP ID=HMDB04953, KEGG ID= ]", ""}}, {618.52, 15.807126, "Meta"} -> 
    {{428588, 492380, 842158}, {"1-octadecanoyl-2-(9Z,12Z,15Z-octadecatrienoy\
l)-sn-glycerol [ C39 H70 O5, db=91.14, overall=45.57, KEGG ID=, CAS ID= ]", 
      ""}}, {800.6776, 15.794722, "Meta"} -> {{450999, 1930921, 311691}, 
     {"", ""}}, {613.5643, 15.813304, "Meta"} -> {{240412, 407932, 390255}, 
     {"", ""}}, {720.5875, 15.822541, "Meta"} -> {{58089, 80857, 83587}, 
     {"GPCho(O-16:0/16:0) [ C40 H83 N O7 P, db=74.12, overall=37.06, Lipid \
ID=LMGP01020029, KEGG ID= ]", ""}}, {863.6402, 15.794833, "Meta"} -> 
    {{46339, 221389, 1}, {"", ""}}, {661.637, 15.824202, "Meta"} -> 
    {{33259, 81277, 1}, {"", ""}}, {813.6251, 15.798603, "Meta"} -> 
    {{686557, 3069631, 284552}, {"", ""}}, {847.6456, 15.813998, "Meta"} -> 
    {{378419, 1644824, 1}, {"", ""}}, {551.4249, 15.827079, "Meta"} -> 
    {{17225, 16720, 1}, {"", ""}}, {797.6297, 15.801678, "Meta"} -> 
    {{462056, 1831971, 1}, {"", ""}}, {661.4929, 15.831914, "Meta"} -> 
    {{199162, 85591, 178301}, {"", ""}}, {605.6104, 15.850416, "Meta"} -> 
    {{19178, 185397, 15347}, {"", ""}}, {834.2323, 15.869839, "Meta"} -> 
    {{40021, 52770, 36243}, {"", ""}}, {831.2332, 15.870869, "Meta"} -> 
    {{141848, 139417, 128390}, {"", ""}}, {627.5816, 15.898941, "Meta"} -> 
    {{48489, 42786, 66006}, {"", ""}}, {631.6267, 15.875499, "Meta"} -> 
    {{57049, 201389, 47640}, {"", ""}}, {592.5431, 15.88767, "Meta"} -> 
    {{19290, 37190, 28640}, {"", ""}}, {801.6253, 15.848322, "Meta"} -> 
    {{59727, 275980, 26434}, {"GPEtn(22:1(13Z)/18:0)[U] [ C45 H88 N O8 P, \
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   {632.5355, 15.902878, "Meta"} -> {{74334, 82097, 139642}, 
     {"1-(9Z-heptadecenoyl)-2-(11Z,14Z-eicosadienoyl)-sn-glycerol [ C40 H72 \
O5, db=87.97, overall=43.98, KEGG ID=, CAS ID= ]", ""}}, 
   {839.6394, 15.8606, "Meta"} -> {{48809, 260142, 1}, {"", ""}}, 
   {814.6932, 15.912194, "Meta"} -> {{638238, 3724417, 342453}, {"", ""}}, 
   {852.6397, 15.911029, "Meta"} -> {{48130, 175769, 1}, {"", ""}}, 
   {773.63, 15.906822, "Meta"} -> {{234632, 1276858, 160902}, {"", ""}}, 
   {823.6456, 15.917723, "Meta"} -> {{736512, 3452056, 358022}, {"", ""}}, 
   {649.6372, 15.946309, "Meta"} -> {{85082, 357106, 56963}, 
     {"N-Lignoceroylsphingosine [ C42 H83 N O3, db=98.89, overall=49.44, HMP \
ID=HMDB00831, KEGG ID= ]", ""}}, {861.593, 15.911041, "Meta"} -> 
    {{44570, 1, 1}, {"", ""}}, {849.6617, 15.960544, "Meta"} -> 
    {{609416, 3779670, 492734}, {"", ""}}, {606.5589, 16.002474, "Meta"} -> 
    {{174996, 587809, 302007}, {"", ""}}, {887.608, 15.950258, "Meta"} -> 
    {{56026, 113734, 1}, {"", ""}}, {646.5512, 16.021963, "Meta"} -> 
    {{668824, 1670525, 1299666}, {"1-(9Z-octadecenoyl)-2-(11Z,14Z-eicosadieno\
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      ""}}, {669.6274, 16.021229, "Meta"} -> {{27283, 97323, 46630}, 
     {"", ""}}, {663.653, 16.021738, "Meta"} -> {{25013, 53369, 1}, 
     {"Ceramide (d18:1/25:0) [ C43 H85 N O3, db=93.46, overall=46.73, HMP \
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    {{65297, 117743, 42964}, {"", ""}}, {641.5965, 16.03561, "Meta"} -> 
    {{239742, 979529, 435364}, {"", ""}}, {633.6424, 16.0732, "Meta"} -> 
    {{23618, 326765, 14199}, {"", ""}}, {875.6776, 16.05178, "Meta"} -> 
    {{568530, 4275236, 400497}, {"", ""}}, {877.6932, 16.229668, "Meta"} -> 
    {{653797, 5660251, 392980}, {"", ""}}, {903.7076, 16.322107, "Meta"} -> 
    {{116281, 916678, 1}, {"", ""}}, {958.9559, 0.36646155, "Meta"} -> 
    {{1, 1, 29531}, {"", ""}}, {2422.0625, 0.37100002, "Meta"} -> 
    {{1, 1, 29101}, {"", ""}}, {1742.01, 0.37975758, "Meta"} -> 
    {{1, 36767, 37632}, {"", ""}}, {1578.0028, 0.38074994, "Meta"} -> 
    {{1, 1, 45283}, {"", ""}}, {1988.023, 0.37995836, "Meta"} -> 
    {{1, 23319, 1}, {"", ""}}, {1824.0161, 0.38057694, "Meta"} -> 
    {{1, 1, 36840}, {"", ""}}, {547.9159, 0.39203572, "Meta"} -> 
    {{1, 140450, 155245}, {"", ""}}, {721.7918, 0.40096295, "Meta"} -> 
    {{1, 61672, 64139}, {"", ""}}, {557.7853, 0.40799993, "Meta"} -> 
    {{1, 150829, 148224}, {"", ""}}, {791.6165, 0.41215378, "Meta"} -> 
    {{1, 39101, 1}, {"", ""}}, {633.7165, 0.41170967, "Meta"} -> 
    {{1, 25835, 16923}, {"", ""}}, {252.1202, 0.45106667, "Meta"} -> 
    {{1, 83133, 1}, {"Pro His [ C11 H16 N4 O3, db=76.47, overall=38.23 ]", 
      ""}}, {246.1942, 0.46209374, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {278.1842, 0.46203128, "Meta"} -> {{1, 1, 86095}, {"", ""}}, 
   {304.1997, 0.46772003, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {218.1628, 0.46839395, "Meta"} -> {{1, 25792, 1}, {"", ""}}, 
   {274.1643, 0.46503848, "Meta"} -> {{1, 1, 1}, 
     {"Ala Gly Lys [ C11 H22 N4 O4, db=47.47, overall=23.74 ]", ""}}, 
   {380.0201, 0.5091111, "Meta"} -> {{1, 1, 50953}, {"", ""}}, 
   {352.0515, 0.53367996, "Meta"} -> {{1, 23064, 20519}, {"", ""}}, 
   {135.068, 0.55345714, "Meta"} -> {{1, 216996, 86141}, 
     {"2-Phenylacetamide [ C8 H9 N O, db=85.97, overall=42.98, KEGG \
ID=C02505, CAS ID=103-81-1 ]", "103-81-1"}}, {281.1835, 0.605074, "Meta"} -> 
    {{1, 1, 51964}, {"", ""}}, {115.0629, 0.69411117, "Meta"} -> 
    {{1, 160137, 134200}, {"Proline [ C5 H9 N O2, db=79.13, overall=39.57, \
KEGG ID=C00148, CAS ID=147-85-3 ]", "147-85-3"}}, 
   {131.0587, 0.6995, "Meta"} -> {{1, 35980, 96114}, 
     {"Trans-4-Hydroxy-L-proline [ C5 H9 N O3, db=60.12, overall=30.06, KEGG \
ID=, CAS ID=51-35-4 ]", "51-35-4"}}, {526.0667, 0.66112, "Meta"} -> 
    {{1, 21958, 16460}, {"", ""}}, {380.0206, 0.6642414, "Meta"} -> 
    {{1, 241086, 186440}, {"", ""}}, {306.0645, 0.74877775, "Meta"} -> 
    {{1, 65282, 74759}, {"", ""}}, {382.1085, 0.74347997, "Meta"} -> 
    {{1, 52855, 1}, {"", ""}}, {345.1429, 0.8536799, "Meta"} -> 
    {{1, 58332, 30707}, {"", ""}}, {138.0291, 0.95441395, "Meta"} -> 
    {{1, 1, 29086}, {"", ""}}, {172.0702, 0.99353826, "Meta"} -> 
    {{1, 1, 1.98*^7}, {"", ""}}, {167.1155, 1.0165, "Meta"} -> 
    {{1, 1, 496363}, {"", ""}}, {374.102, 1.0232002, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {143.0731, 1.2776923, "Meta"} -> 
    {{1, 1, 319740}, {"", ""}}, {145.0524, 1.2775834, "Meta"} -> 
    {{1, 1, 572880}, {"Isoquinoline N-oxide [ C9 H7 N O, db=90.43, \
overall=45.21, KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, 
   {219.1104, 1.44356, "Meta"} -> {{1, 1, 1}, {"Pantothenic Acid [ C9 H17 N \
O5, db=54.47, overall=27.23, KEGG ID=, CAS ID=137-08-6 ]", "137-08-6"}}, 
   {309.1688, 3.743654, "Meta"} -> {{1, 1, 1}, 
     {"Pro Pro Pro [ C15 H23 N3 O4, db=83.74, overall=41.87 ]", ""}}, 
   {579.254, 6.318081, "Meta"} -> {{1, 19407, 14875}, 
     {"2-[[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-Ethane\
sulfonic acid [ C26 H45 N O9 S2, db=83.71, overall=41.85, HMP ID=HMDB02449, \
KEGG ID= ]", ""}}, {419.4932, 6.474, "Meta"} -> {{1, 25205, 1}, {"", ""}}, 
   {723.3073, 6.4805007, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {420.8636, 6.645, "Meta"} -> {{1, 69367, 1}, {"", ""}}, 
   {414.1035, 7.120406, "Meta"} -> {{1, 24447, 1}, {"", ""}}, 
   {1517.675, 7.538903, "Meta"} -> {{1, 38166, 1}, {"", ""}}, 
   {1106.4865, 7.75332, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {427.849, 7.8510604, "Meta"} -> {{1, 74800, 51089}, {"", ""}}, 
   {239.9882, 8.1396, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {313.2252, 8.670879, "Meta"} -> {{1, 42820, 1}, {"", ""}}, 
   {465.1866, 8.675655, "Meta"} -> {{1, 48613, 1}, {"Biotripyrrin-b [ C25 H27 \
N3 O6, db=43.66, overall=21.83, HMP ID=HMDB03324, KEGG ID= ]", ""}}, 
   {602.3041, 9.497844, "Meta"} -> {{1, 15263, 12604}, {"", ""}}, 
   {559.2988, 9.497002, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {263.127, 9.515958, "Meta"} -> {{1, 1, 30577}, {"", ""}}, 
   {420.2259, 9.685075, "Meta"} -> {{1, 21528, 1}, 
     {"His His Lys [ C18 H28 N8 O4, db=54.50, overall=27.25 ]", ""}}, 
   {240.1338, 9.749299, "Meta"} -> {{1, 61269, 65228}, {"", ""}}, 
   {176.0454, 9.963879, "Meta"} -> {{1, 39091, 57602}, {"", ""}}, 
   {533.1125, 10.0555, "Meta"} -> {{1, 68094, 37636}, 
     {"Indomethacin glucuronide [ C25 H24 Cl N O10, db=40.58, overall=20.29, \
KEGG ID=, CAS ID=75523-11-4 ]", "75523-11-4"}}, 
   {593.1437, 10.055286, "Meta"} -> {{1, 72287, 52309}, {"", ""}}, 
   {536.1192, 10.055125, "Meta"} -> {{1, 28538, 16808}, {"", ""}}, 
   {335.1544, 10.10977, "Meta"} -> {{1, 1, 29675}, 
     {"Cys Leu Thr [ C13 H25 N3 O5 S, db=37.55, overall=18.77 ]", ""}}, 
   {630.2684, 10.324069, "Meta"} -> {{1, 59571, 40083}, {"", ""}}, 
   {219.129, 10.36744, "Meta"} -> {{1, 440653, 370946}, {"", ""}}, 
   {250.1198, 10.418655, "Meta"} -> {{1, 36626, 26355}, 
     {"Ubiquinone [ C14 H18 O4, db=60.72, overall=30.36, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {302.184, 10.730654, "Meta"} -> 
    {{1, 40111, 24664}, {"", ""}}, {323.228, 10.9723625, "Meta"} -> 
    {{1, 66897, 53894}, {"", ""}}, {171.162, 11.016933, "Meta"} -> 
    {{1, 1, 39097}, {"", ""}}, {564.3483, 11.143167, "Meta"} -> 
    {{1, 121452, 1}, {"", ""}}, {273.0832, 11.159881, "Meta"} -> 
    {{1, 201704, 161540}, {"", ""}}, {503.2805, 11.289723, "Meta"} -> 
    {{1, 18984, 22564}, {"", ""}}, {396.1934, 11.289607, "Meta"} -> 
    {{1, 33436, 33943}, {"Pregnenolone sulfate [ C21 H32 O5 S, db=58.26, \
overall=29.13, HMP ID=HMDB00774, KEGG ID= ]", ""}}, 
   {475.2532, 11.290502, "Meta"} -> {{1, 47065, 46128}, {"", ""}}, 
   {632.2486, 11.370108, "Meta"} -> {{1, 117006, 103835}, {"", ""}}, 
   {580.226, 11.39536, "Meta"} -> {{1, 20487, 1}, {"", ""}}, 
   {456.167, 11.397059, "Meta"} -> {{1, 30246, 19659}, {"", ""}}, 
   {395.3032, 11.612541, "Meta"} -> {{1, 18111, 1}, {"", ""}}, 
   {360.3347, 11.940929, "Meta"} -> {{1, 13351, 13960}, {"", ""}}, 
   {171.1081, 11.943874, "Meta"} -> {{1, 79005, 175995}, {"", ""}}, 
   {396.2831, 12.028556, "Meta"} -> {{1, 53720, 1}, {"", ""}}, 
   {313.2616, 12.047375, "Meta"} -> {{1, 258175, 238930}, {"", ""}}, 
   {842.5207, 12.128361, "Meta"} -> {{1, 74967, 54926}, 
     {"Spiramycin 1 [ C43 H74 N2 O14, db=60.72, overall=30.36, KEGG \
ID=C01754, CAS ID=24916-50-5 ]", "24916-50-5"}}, 
   {604.1137, 12.167592, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {381.9989, 12.185469, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {572.2186, 12.2466, "Meta"} -> {{1, 22978, 22645}, {"", ""}}, 
   {396.1641, 12.277833, "Meta"} -> {{1, 31321, 25022}, 
     {"Asn Tyr Thr [ C17 H24 N4 O7, db=61.81, overall=30.90 ]", ""}}, 
   {254.0726, 12.292558, "Meta"} -> {{1, 15363, 13676}, 
     {"Acetaminophen-cysteine [ C11 H14 N2 O3 S, db=76.73, overall=38.36, \
KEGG ID=, CAS ID=64014-06-8 ]", "64014-06-8"}}, 
   {322.1171, 12.32875, "Meta"} -> {{1, 1, 27849}, {"", ""}}, 
   {614.4236, 12.339584, "Meta"} -> {{1, 134998, 92674}, {"", ""}}, 
   {323.2098, 12.388596, "Meta"} -> {{1, 94992, 94053}, 
     {"Betaxolol(hydroxylation) [ C18 H29 N O4, db=71.49, overall=35.74, KEGG \
ID=, CAS ID=87549-35-7 ]", "87549-35-7"}}, {618.251, 12.430832, "Meta"} -> 
    {{1, 38826, 28280}, {"", ""}}, {438.3565, 12.462166, "Meta"} -> 
    {{1, 20615, 1}, {"", ""}}, {724.4581, 12.46508, "Meta"} -> 
    {{1, 70428, 43931}, {"", ""}}, {336.228, 12.510321, "Meta"} -> 
    {{1, 129750, 113512}, {"15-epi-PGA1 [ C20 H32 O4, db=70.01, \
overall=35.01, Lipid ID=LMFA03010047, KEGG ID= ]", ""}}, 
   {431.3032, 12.516041, "Meta"} -> {{1, 383865, 250488}, {"", ""}}, 
   {339.2776, 12.558571, "Meta"} -> {{1, 1, 68272}, {"", ""}}, 
   {359.2849, 12.620791, "Meta"} -> {{1, 107244, 1}, {"", ""}}, 
   {1120.5815, 12.721594, "Meta"} -> {{1, 224324, 116574}, {"", ""}}, 
   {360.0762, 12.647442, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {870.5521, 12.68296, "Meta"} -> {{1, 70949, 1}, {"", ""}}, 
   {594.374, 12.7149315, "Meta"} -> {{1, 71848, 54436}, 
     {"7,8-Didehydroastaxanthin [ C40 H50 O4, db=74.93, overall=37.46, Lipid \
ID=LMPR01070051, KEGG ID= ]", ""}}, {909.6228, 12.728479, "Meta"} -> 
    {{1, 55521, 1}, {"", ""}}, {372.2657, 12.741412, "Meta"} -> 
    {{1, 44083, 1}, {"(22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid [ C24 \
H36 O3, db=63.76, overall=31.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {354.3241, 12.753935, "Meta"} -> {{1, 31768, 1}, {"", ""}}, 
   {633.4446, 12.767465, "Meta"} -> {{1, 48187, 49281}, {"", ""}}, 
   {638.4002, 12.7673855, "Meta"} -> {{1, 45468, 42038}, {"", ""}}, 
   {546.238, 12.80944, "Meta"} -> {{1, 44886, 21183}, {"", ""}}, 
   {430.2145, 12.858498, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {381.2643, 12.864834, "Meta"} -> {{1, 93479, 1}, 
     {"Sphinganine 1-phosphate [ C18 H40 N O5 P, db=61.19, overall=30.59, \
KEGG ID=C01120, CAS ID=19794-97-9 ]", "19794-97-9"}}, 
   {598.4292, 12.9028635, "Meta"} -> {{1, 89117, 1}, {"", ""}}, 
   {914.5791, 12.90653, "Meta"} -> {{1, 47398, 31182}, {"", ""}}, 
   {909.6228, 12.903775, "Meta"} -> {{1, 51650, 1}, {"", ""}}, 
   {262.1504, 12.906483, "Meta"} -> {{1, 16945, 31572}, {"", ""}}, 
   {1613.9202, 12.9604435, "Meta"} -> {{1, 101276, 1}, {"", ""}}, 
   {519.8025, 12.93093, "Meta"} -> {{1, 38735, 36179}, {"", ""}}, 
   {982.6032, 12.922208, "Meta"} -> {{1, 38400, 1}, {"", ""}}, 
   {1024.6497, 12.9421835, "Meta"} -> {{1, 212580, 1}, {"", ""}}, 
   {1148.6115, 12.963801, "Meta"} -> {{1, 38207, 1}, {"", ""}}, 
   {507.3326, 12.98204, "Meta"} -> {{1, 87537, 1}, {"", ""}}, 
   {1559.8555, 12.970627, "Meta"} -> {{1, 15043, 12401}, {"", ""}}, 
   {1042.6005, 12.993199, "Meta"} -> {{1, 177251, 1}, {"", ""}}, 
   {1037.118, 13.003001, "Meta"} -> {{1, 45569, 1}, {"", ""}}, 
   {427.3661, 13.001041, "Meta"} -> {{1, 173709, 1}, 
     {"Stearoylcarnitine [ C25 H49 N O4, db=99.56, overall=49.78, HMP \
ID=HMDB00848, KEGG ID= ]", ""}}, {1065.1241, 13.043728, "Meta"} -> 
    {{1, 148655, 1}, {"", ""}}, {3153.9402, 13.013799, "Meta"} -> 
    {{1, 106259, 1}, {"", ""}}, {1062.6643, 13.043032, "Meta"} -> 
    {{1, 2.42*^7, 44093}, {"", ""}}, {1691.9418, 13.075117, "Meta"} -> 
    {{1, 45041, 42171}, {"", ""}}, {1124.6125, 13.074121, "Meta"} -> 
    {{1, 286718, 1}, {"", ""}}, {840.5426, 13.075176, "Meta"} -> 
    {{1, 206231, 155253}, {"", ""}}, {1610.915, 13.078408, "Meta"} -> 
    {{1, 232839, 1}, {"", ""}}, {183.0655, 13.115752, "Meta"} -> 
    {{1, 164685, 1}, {"", ""}}, {2538.609, 13.147432, "Meta"} -> 
    {{1, 36548, 276542}, {"", ""}}, {2562.6084, 13.136644, "Meta"} -> 
    {{1, 98789, 1}, {"", ""}}, {545.2796, 13.128334, "Meta"} -> 
    {{1, 28800, 22355}, {"", ""}}, {1553.9612, 13.132172, "Meta"} -> 
    {{1, 99211, 23013}, {"", ""}}, {569.3479, 13.150904, "Meta"} -> 
    {{1, 1257201, 376512}, {"", ""}}, {1354.8588, 13.150917, "Meta"} -> 
    {{1, 23739, 1}, {"", ""}}, {1645.9559, 13.165126, "Meta"} -> 
    {{1, 63901, 1}, {"", ""}}, {559.2929, 13.138584, "Meta"} -> 
    {{1, 107460, 133737}, {"", ""}}, {384.2382, 13.160249, "Meta"} -> 
    {{1, 28147, 1}, {"", ""}}, {883.525, 13.1601515, "Meta"} -> 
    {{1, 49992, 32155}, {"", ""}}, {319.2722, 13.161035, "Meta"} -> 
    {{1, 205424, 197040}, {"", ""}}, {662.3214, 13.161371, "Meta"} -> 
    {{1, 11362, 10629}, {"", ""}}, {643.322, 13.174154, "Meta"} -> 
    {{1, 19649, 40361}, {"", ""}}, {583.2961, 13.172579, "Meta"} -> 
    {{1, 143168, 1}, {"", ""}}, {1505.898, 13.17625, "Meta"} -> 
    {{1, 24027, 1}, {"", ""}}, {970.6001, 13.182221, "Meta"} -> 
    {{1, 1, 126884}, {"", ""}}, {3039.9446, 13.20112, "Meta"} -> 
    {{1, 34783, 1}, {"", ""}}, {2967.8972, 13.195209, "Meta"} -> 
    {{1, 36375, 1}, {"", ""}}, {2498.639, 13.222151, "Meta"} -> 
    {{1, 610710, 370728}, {"", ""}}, {1512.0118, 13.256168, "Meta"} -> 
    {{1, 244703, 1}, {"", ""}}, {788.5499, 13.282076, "Meta"} -> 
    {{1, 1, 45441}, {"", ""}}, {1557.9952, 13.283399, "Meta"} -> 
    {{1, 299708, 1}, {"", ""}}, {2664.6548, 13.3012495, "Meta"} -> 
    {{1, 235074, 47175}, {"", ""}}, {1558.4962, 13.295667, "Meta"} -> 
    {{1, 59636, 1}, {"", ""}}, {1152.6416, 13.311076, "Meta"} -> 
    {{1, 1, 73142}, {"", ""}}, {861.5413, 13.332082, "Meta"} -> 
    {{1, 26947, 1}, {"", ""}}, {400.2826, 13.33677, "Meta"} -> 
    {{1, 30207, 28375}, 
     {"Ile Arg Ile [ C18 H36 N6 O4, db=62.53, overall=31.27 ]", ""}}, 
   {920.6287, 13.335076, "Meta"} -> {{1, 394640, 1}, {"", ""}}, 
   {426.2297, 13.336428, "Meta"} -> {{1, 1, 18811}, 
     {"GPCho(5:0/5:0) [ C18 H37 N O8 P, db=46.03, overall=23.02, Lipid \
ID=LMGP01011225, KEGG ID= ]", ""}}, {345.2878, 13.336541, "Meta"} -> 
    {{1, 88928, 1}, {"", ""}}, {1575.9764, 13.367161, "Meta"} -> 
    {{1, 203345, 91010}, {"", ""}}, {2659.657, 13.395823, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {808.9824, 13.395445, "Meta"} -> 
    {{1, 302003, 105051}, {"", ""}}, {2644.688, 13.389333, "Meta"} -> 
    {{1, 27558, 1}, {"", ""}}, {808.4806, 13.3991, "Meta"} -> 
    {{1, 306311, 128406}, {"", ""}}, {1113.7596, 13.39512, "Meta"} -> 
    {{1, 97437, 1}, {"", ""}}, {638.4015, 13.413879, "Meta"} -> 
    {{1, 244787, 1}, {"", ""}}, {1157.7856, 13.415817, "Meta"} -> 
    {{1, 25986, 1}, {"", ""}}, {1638.9432, 13.424121, "Meta"} -> 
    {{1, 1, 58883}, {"", ""}}, {849.4905, 13.4387865, "Meta"} -> 
    {{1, 128731, 52910}, {"", ""}}, {1206.769, 13.446911, "Meta"} -> 
    {{1, 90085, 79895}, {"", ""}}, {333.2878, 13.4534, "Meta"} -> 
    {{1, 28301, 43617}, {"", ""}}, {1245.8365, 13.452714, "Meta"} -> 
    {{1, 30391, 1}, {"", ""}}, {467.3008, 13.459519, "Meta"} -> 
    {{1, 68063, 1}, {"Myristoyl L-a-lysophosphatidylcholine [ C22 H46 N O7 P, \
db=89.84, overall=44.92, KEGG ID=, CAS ID=20559-16-4 ]", "20559-16-4"}}, 
   {455.3972, 13.465623, "Meta"} -> {{1, 21739, 1}, {"", ""}}, 
   {1030.697, 13.476875, "Meta"} -> {{1, 1490217, 1}, {"", ""}}, 
   {974.67, 13.490923, "Meta"} -> {{1, 149805, 1}, {"", ""}}, 
   {324.3139, 13.500629, "Meta"} -> {{1, 19957, 29781}, {"", ""}}, 
   {1215.6465, 13.513207, "Meta"} -> {{1, 32439, 1}, {"", ""}}, 
   {630.2702, 13.511028, "Meta"} -> {{1, 359749, 297109}, {"", ""}}, 
   {669.3311, 13.519043, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {956.6267, 13.53476, "Meta"} -> {{1, 672783, 1}, {"", ""}}, 
   {390.1793, 13.5351515, "Meta"} -> {{1, 1, 87232}, {"", ""}}, 
   {424.259, 13.54431, "Meta"} -> {{1, 105622, 1}, {"1-heptadecanoyl-sn-glyce\
rol 3-phosphate [ C20 H41 O7 P, db=78.47, overall=39.23, KEGG ID=, CAS ID= ]"\
, ""}}, {244.2192, 13.546301, "Meta"} -> {{1, 35813, 20850}, {"", ""}}, 
   {1002.7006, 13.568126, "Meta"} -> {{1, 313904, 1}, {"", ""}}, 
   {976.6852, 13.575584, "Meta"} -> {{1, 180595, 1}, {"", ""}}, 
   {1056.7117, 13.578376, "Meta"} -> {{1, 50529, 1}, {"", ""}}, 
   {797.5224, 13.576999, "Meta"} -> {{1, 106896, 29328}, {"", ""}}, 
   {1127.7758, 13.584821, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {650.3126, 13.582882, "Meta"} -> {{1, 47641, 1}, {"", ""}}, 
   {1028.7163, 13.588923, "Meta"} -> {{1, 204039, 1}, {"", ""}}, 
   {645.3362, 13.599116, "Meta"} -> {{1, 46756, 1}, {"", ""}}, 
   {1188.8286, 13.598631, "Meta"} -> {{1, 146203, 168910}, {"", ""}}, 
   {889.5718, 13.618206, "Meta"} -> {{1, 25540, 1}, {"", ""}}, 
   {330.2768, 13.61125, "Meta"} -> {{1, 1822295, 1}, 
     {"1-hexadecanoyl-sn-glycerol [ C19 H38 O4, db=72.01, overall=36.01, KEGG \
ID=, CAS ID= ]", ""}}, {406.2029, 13.630459, "Meta"} -> 
    {{1, 1, 1}, {"Thr Met Arg [ C15 H30 N6 O5 S, db=36.71, overall=18.35 ]", 
      ""}}, {370.2482, 13.64018, "Meta"} -> {{1, 92058, 1}, 
     {"(20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid [ C24 H34 O3, \
db=71.09, overall=35.55, Lipid ID=, KEGG ID= ]", ""}}, 
   {404.2562, 13.6432905, "Meta"} -> {{1, 82244, 78198}, 
     {"3alpha-Hydroxy-1,7-dioxo-5beta-cholan-24-oic Acid [ C24 H36 O5, \
db=66.41, overall=33.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {286.2291, 13.665809, "Meta"} -> {{1, 39601, 41210}, 
     {"11-cis-Retinol [ C20 H30 O, db=65.17, overall=32.58, Lipid \
ID=LMPR01090005, KEGG ID=C00899 ]", ""}}, {1352.865, 13.6438, "Meta"} -> 
    {{1, 1, 126213}, {"", ""}}, {545.8475, 13.691209, "Meta"} -> 
    {{1, 29697, 1}, {"", ""}}, {1068.7097, 13.687207, "Meta"} -> 
    {{1, 157255, 1}, {"", ""}}, {325.2975, 13.681, "Meta"} -> 
    {{1, 33451, 1}, {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, db=58.16, \
overall=29.08, KEGG ID=, CAS ID= ]", ""}}, {701.5288, 13.692271, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1372.908, 13.695891, "Meta"} -> 
    {{1, 69426, 1}, {"", ""}}, {1523.95, 13.699626, "Meta"} -> 
    {{1, 45275, 1}, {"", ""}}, {1004.6844, 13.699296, "Meta"} -> 
    {{1, 465892, 1}, {"", ""}}, {1000.5864, 13.70054, "Meta"} -> 
    {{1, 26811, 1}, {"", ""}}, {410.2824, 13.69748, "Meta"} -> 
    {{1, 24494, 19551}, {"24,25-epoxy-1alpha-hydroxy-22,22,23,23-tetradehydro\
vitamin D3 / 24,25-epoxy-1alpha-hydroxy-22,22,23, [ C27 H38 O3, db=51.02, \
overall=25.51, Lipid ID=LMST03020093, KEGG ID= ]", ""}}, 
   {943.6419, 13.711121, "Meta"} -> {{1, 81019, 133755}, {"", ""}}, 
   {375.3339, 13.70792, "Meta"} -> {{1, 138574, 1}, {"", ""}}, 
   {452.2117, 13.705769, "Meta"} -> {{1, 40215, 24838}, 
     {"2H-Indol-2-one, 4-[2-(dipropylamino)ethyl]-1,3-dihydro-7-hydroxy- \
glucuronide [ C22 H32 N2 O8, db=34.12, overall=17.06, KEGG ID=, CAS \
ID=106916-15-8 ]", "106916-15-8"}}, {867.6142, 13.707126, "Meta"} -> 
    {{1, 37019, 1}, {"", ""}}, {1343.0792, 13.708042, "Meta"} -> 
    {{1, 15637, 1}, {"", ""}}, {1028.7784, 13.708222, "Meta"} -> 
    {{1, 225213, 117720}, {"TG(22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/\
22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] [ C69 H104 O6, db=80.38, overall=40.19, \
Lipid ID=LMGL03012602, KEGG ID= ]", ""}}, {142.0626, 13.712159, "Meta"} -> 
    {{1, 35027, 1}, {"7-hydroxy-5-heptynoic acid [ C7 H10 O3, db=77.60, \
overall=38.80, Lipid ID=, KEGG ID= ]", ""}}, {891.5883, 13.727132, "Meta"} -> 
    {{1, 193593, 43549}, {"", ""}}, {948.6602, 13.717423, "Meta"} -> 
    {{1, 879054, 617176}, {"", ""}}, {906.56, 13.726791, "Meta"} -> 
    {{1, 44409, 1}, {"", ""}}, {909.5629, 13.730292, "Meta"} -> 
    {{1, 51064, 1}, {"", ""}}, {1036.7156, 13.737922, "Meta"} -> 
    {{1, 1, 55265}, {"", ""}}, {1097.7646, 13.7401, "Meta"} -> 
    {{1, 781902, 765397}, {"", ""}}, {1570.0927, 13.769002, "Meta"} -> 
    {{1, 1732098, 1}, {"", ""}}, {1215.6873, 13.76275, "Meta"} -> 
    {{1, 41402, 1}, {"", ""}}, {605.3553, 13.761167, "Meta"} -> 
    {{1, 141217, 57132}, {"", ""}}, {1614.0557, 13.773646, "Meta"} -> 
    {{1, 420573, 48495}, {"", ""}}, {2654.766, 13.775891, "Meta"} -> 
    {{1, 1558939, 1}, {"", ""}}, {2146.3713, 13.775643, "Meta"} -> 
    {{1, 644446, 1}, {"", ""}}, {1317.8951, 13.782828, "Meta"} -> 
    {{1, 204571, 59615}, {"", ""}}, {486.2722, 13.799001, "Meta"} -> 
    {{1, 47998, 1}, {"", ""}}, {1493.9999, 13.813615, "Meta"} -> 
    {{1, 1, 160643}, {"", ""}}, {1411.0074, 13.822881, "Meta"} -> 
    {{1, 128381, 1}, {"", ""}}, {364.3083, 13.814071, "Meta"} -> 
    {{1, 1, 33702}, {"", ""}}, {246.2344, 13.829058, "Meta"} -> 
    {{1, 18525, 23836}, {"Dodecylbenzene [ C18 H30, db=83.32, overall=41.66, \
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    {{1, 128868, 305638}, {"Trihydroxycoprostanoic acid [ C28 H48 O5, \
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   {1273.8958, 13.833207, "Meta"} -> {{1, 107894, 1}, {"", ""}}, 
   {1692.0865, 13.839601, "Meta"} -> {{1, 52238, 40746}, {"", ""}}, 
   {615.5204, 13.8424425, "Meta"} -> {{1, 132288, 41456}, {"", ""}}, 
   {286.2509, 13.846881, "Meta"} -> {{1, 636286, 1}, 
     {"2-hydroxy-heptadecanoic acid [ C17 H34 O3, db=97.72, overall=48.86, \
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    {{1, 21058, 1}, {"", ""}}, {696.2766, 13.87254, "Meta"} -> 
    {{1, 74075, 1}, {"", ""}}, {332.1373, 13.873767, "Meta"} -> 
    {{1, 77312, 80752}, {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, \
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   {553.2424, 13.875352, "Meta"} -> {{1, 1, 172179}, {"", ""}}, 
   {940.4012, 13.875486, "Meta"} -> {{1, 145137, 111611}, {"", ""}}, 
   {613.7682, 13.876518, "Meta"} -> {{1, 137539, 115871}, 
     {"Diatrizoate [ C11 H9 I3 N2 O4, db=75.97, overall=37.98, KEGG \
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    {{1, 144135, 126501}, {"", ""}}, {1178.4764, 13.877108, "Meta"} -> 
    {{1, 116724, 65765}, {"", ""}}, {1148.4653, 13.877125, "Meta"} -> 
    {{1, 47485, 47172}, {"", ""}}, {1210.502, 13.87775, "Meta"} -> 
    {{1, 102478, 113343}, {"", ""}}, {1196.5201, 13.877587, "Meta"} -> 
    {{1, 400068, 232798}, {"", ""}}, {1179.6492, 13.879959, "Meta"} -> 
    {{1, 95423, 1}, {"", ""}}, {1139.6177, 13.881881, "Meta"} -> 
    {{1, 60443, 1}, {"", ""}}, {763.4538, 13.893353, "Meta"} -> 
    {{1, 83760, 39911}, {"", ""}}, {874.6232, 13.896, "Meta"} -> 
    {{1, 41399, 1}, {"", ""}}, {1026.6364, 13.899459, "Meta"} -> 
    {{1, 50595, 1}, {"", ""}}, {988.6857, 13.899965, "Meta"} -> 
    {{1, 135036, 1}, {"", ""}}, {1182.8066, 13.906625, "Meta"} -> 
    {{1, 25042, 1}, {"", ""}}, {1155.8073, 13.909867, "Meta"} -> 
    {{1, 1, 265230}, {"", ""}}, {1133.7634, 13.909791, "Meta"} -> 
    {{1, 311800, 1}, {"", ""}}, {1204.7888, 13.910968, "Meta"} -> 
    {{1, 1, 459234}, {"", ""}}, {412.319, 13.933791, "Meta"} -> 
    {{1, 354358, 1}, {"", ""}}, {429.3453, 13.92668, "Meta"} -> 
    {{1, 122452, 56670}, {"", ""}}, {457.2311, 13.933417, "Meta"} -> 
    {{1, 22004, 1}, {"", ""}}, {625.5645, 13.932321, "Meta"} -> 
    {{1, 103240, 1}, {"1,3-di-(9Z-octadecenoyl)-2-hydroxy-sn-glycerol-d5 [ \
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   {392.1986, 13.933346, "Meta"} -> {{1, 135879, 92632}, 
     {"Betamethasone [ C22 H29 F O5, db=56.48, overall=28.24, KEGG ID=C06848, \
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    {{1, 347219, 92852}, {"", ""}}, {905.6038, 13.9305, "Meta"} -> 
    {{1, 45313, 1}, {"", ""}}, {326.2818, 13.934208, "Meta"} -> 
    {{1, 57539, 28248}, {"14R-hydroxy-11Z-eicosenoic acid [ C20 H38 O3, \
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   {1512.9745, 13.943259, "Meta"} -> {{1, 80480, 1}, {"", ""}}, 
   {404.3248, 13.940714, "Meta"} -> {{1, 84025, 1}, {"", ""}}, 
   {361.3192, 13.941904, "Meta"} -> {{1, 283834, 110059}, {"", ""}}, 
   {638.4799, 13.954207, "Meta"} -> {{1, 28957, 23880}, {"", ""}}, 
   {894.7203, 13.9559555, "Meta"} -> {{1, 16152, 1}, {"", ""}}, 
   {649.4322, 13.963917, "Meta"} -> {{1, 72193, 1}, {"", ""}}, 
   {817.5507, 13.970483, "Meta"} -> {{1, 67196, 1}, {"", ""}}, 
   {696.3306, 13.97226, "Meta"} -> {{1, 19184, 1}, {"", ""}}, 
   {368.3293, 13.973274, "Meta"} -> {{1, 32365, 28503}, 
     {"2-oxo-tricosanoic acid [ C23 H44 O3, db=83.10, overall=41.55, Lipid \
ID=, KEGG ID= ]", ""}}, {668.3243, 13.987971, "Meta"} -> 
    {{1, 1, 22807}, {"", ""}}, {327.3138, 14.019958, "Meta"} -> 
    {{1, 44563, 1}, {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, db=80.02, \
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    {{1, 1716254, 463334}, {"", ""}}, {1130.752, 14.0565195, "Meta"} -> 
    {{1, 1, 255094}, {"", ""}}, {1081.7697, 14.056306, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1301.9012, 14.060631, "Meta"} -> 
    {{1, 304400, 729227}, {"", ""}}, {1345.9271, 14.061594, "Meta"} -> 
    {{1, 253084, 736408}, {"", ""}}, {547.3318, 14.088111, "Meta"} -> 
    {{1, 99239, 25542}, {"", ""}}, {1416.8945, 14.065963, "Meta"} -> 
    {{1, 312697, 1}, {"", ""}}, {1478.0059, 14.069033, "Meta"} -> 
    {{1, 604212, 22973}, {"", ""}}, {1539.0583, 14.065129, "Meta"} -> 
    {{1, 1, 221740}, {"", ""}}, {388.3188, 14.077641, "Meta"} -> 
    {{1, 514301, 17056}, {"", ""}}, {1671.1366, 14.077626, "Meta"} -> 
    {{1, 196534, 150703}, {"", ""}}, {1759.1885, 14.088881, "Meta"} -> 
    {{1, 115415, 1}, {"", ""}}, {362.2226, 14.091807, "Meta"} -> 
    {{1, 73622, 1}, {"", ""}}, {406.2871, 14.089751, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {442.3058, 14.054035, "Meta"} -> 
    {{1, 260399, 1}, {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-h\
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   {314.2219, 14.110887, "Meta"} -> {{1, 664603, 1}, 
     {"Progesterone [ C21 H30 O2, db=66.34, overall=33.17, KEGG ID=, CAS \
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    {{1, 193600, 88752}, {"tomatidine [ C27 H45 N O2, db=66.95, \
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   {852.6271, 14.121083, "Meta"} -> {{1, 27846, 20569}, {"", ""}}, 
   {1107.9249, 14.142357, "Meta"} -> {{1, 28859, 9464}, {"", ""}}, 
   {889.6583, 14.144666, "Meta"} -> {{1, 56031, 1}, {"", ""}}, 
   {784.6361, 14.144617, "Meta"} -> {{1, 54986, 10712}, {"", ""}}, 
   {706.5926, 14.145374, "Meta"} -> {{1, 83139, 1}, {"", ""}}, 
   {1120.8586, 14.145665, "Meta"} -> {{1, 16202, 1}, {"", ""}}, 
   {535.496, 14.138332, "Meta"} -> {{1, 18445, 1}, {"", ""}}, 
   {798.6034, 14.14996, "Meta"} -> {{1, 40736, 20632}, 
     {"GPCho(18:0/19:3(9Z,12Z,15Z)[U]) [ C45 H85 N O8 P, db=67.76, \
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   {248.2501, 14.149543, "Meta"} -> {{1, 30588, 1}, {"", ""}}, 
   {467.2466, 14.092066, "Meta"} -> {{1, 24594, 1}, 
     {"Penbutolol glucuronide [ C24 H37 N O8, db=37.20, overall=18.60, KEGG \
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    {{1, 55769, 1}, {"", ""}}, {1130.8466, 14.151208, "Meta"} -> 
    {{1, 74739, 1}, {"", ""}}, {471.2462, 14.144727, "Meta"} -> 
    {{1, 189801, 1}, {"", ""}}, {511.4599, 14.152822, "Meta"} -> 
    {{1, 135457, 1}, {"", ""}}, {474.2492, 14.152304, "Meta"} -> 
    {{1, 210651, 76978}, {"", ""}}, {431.361, 14.173369, "Meta"} -> 
    {{1, 118524, 46147}, {"", ""}}, {1541.0024, 14.186885, "Meta"} -> 
    {{1, 29726, 1}, {"", ""}}, {537.4757, 14.195916, "Meta"} -> 
    {{1, 111956, 1}, {"", ""}}, {1949.3077, 14.181482, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1910.2386, 14.20512, "Meta"} -> 
    {{1, 68888, 40632}, {"", ""}}, {661.5622, 14.189167, "Meta"} -> 
    {{1, 285687, 1}, {"", ""}}, {342.3608, 14.2178755, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {381.2554, 14.218654, "Meta"} -> 
    {{1, 13719, 1}, {"", ""}}, {592.5907, 14.224184, "Meta"} -> 
    {{1, 11941, 1}, {"", ""}}, {354.3608, 14.2303095, "Meta"} -> 
    {{1, 13142, 9946}, {"", ""}}, {919.6819, 14.234096, "Meta"} -> 
    {{1, 26082, 1}, {"", ""}}, {551.3956, 14.253501, "Meta"} -> 
    {{1, 509433, 1}, {"", ""}}, {342.255, 14.27097, "Meta"} -> 
    {{1, 1.57*^7, 5284481}, {"", ""}}, {1114.7946, 14.253259, "Meta"} -> 
    {{1, 81225, 73030}, {"", ""}}, {174.14, 14.273462, "Meta"} -> 
    {{1, 34565, 1}, {"", ""}}, {540.4366, 14.265166, "Meta"} -> 
    {{1, 131464, 126757}, {"", ""}}, {537.5111, 14.26788, "Meta"} -> 
    {{1, 68366, 1}, {"N-Palmitoylsphingosine [ C34 H67 N O3, db=97.22, \
overall=48.61, HMP ID=HMDB00790, KEGG ID= ]", ""}}, 
   {120.0925, 14.28412, "Meta"} -> {{1, 45043, 1}, {"", ""}}, 
   {493.3546, 14.284119, "Meta"} -> {{1, 125179, 1}, {"", ""}}, 
   {462.2603, 14.291335, "Meta"} -> {{1, 1, 1}, {"Retinyl glucuronide [ C26 \
H38 O7, db=72.43, overall=36.21, KEGG ID=, CAS ID=16639-19-3 ]", 
      "16639-19-3"}}, {294.165, 14.293693, "Meta"} -> 
    {{1, 14843, 1}, {"", ""}}, {1929.2153, 14.301193, "Meta"} -> 
    {{1, 58755, 1}, {"", ""}}, {1919.2993, 14.301039, "Meta"} -> 
    {{1, 66697, 61046}, {"", ""}}, {678.0978, 14.303559, "Meta"} -> 
    {{1, 37824, 23796}, {"", ""}}, {660.1179, 14.307345, "Meta"} -> 
    {{1, 42123, 36468}, {"", ""}}, {616.0923, 14.309033, "Meta"} -> 
    {{1, 50317, 43045}, {"", ""}}, {1968.2823, 14.29344, "Meta"} -> 
    {{1, 1, 36509}, {"", ""}}, {557.4655, 14.3256235, "Meta"} -> 
    {{1, 87663, 1}, {"", ""}}, {210.1611, 14.326935, "Meta"} -> 
    {{1, 31319, 1}, {"3E,5E-tridecadienoic acid [ C13 H22 O2, db=51.36, \
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    {{1, 150016, 104306}, {"13E,17-octadecadienoic acid [ C18 H32 O2, \
db=82.66, overall=41.33, Lipid ID=, KEGG ID= ]", ""}}, 
   {1302.9338, 14.329708, "Meta"} -> {{1, 214732, 213603}, {"", ""}}, 
   {1224.7938, 14.333634, "Meta"} -> {{1, 114372, 46051}, {"", ""}}, 
   {1158.784, 14.347498, "Meta"} -> {{1, 172718, 1}, {"", ""}}, 
   {412.258, 14.357724, "Meta"} -> {{1, 1.15*^7, 1}, {"", ""}}, 
   {224.1775, 14.381326, "Meta"} -> {{1, 21049, 58971}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=80.34, overall=40.17, \
Lipid ID=, KEGG ID= ]", ""}}, {540.3789, 14.368897, "Meta"} -> 
    {{1, 656572, 303734}, {"", ""}}, {266.2606, 14.390668, "Meta"} -> 
    {{1, 1, 36681}, {"3E,13Z-octadecadien-1-ol [ C18 H34 O, db=80.14, \
overall=40.07, Lipid ID=, KEGG ID= ]", ""}}, 
   {1987.2571, 14.389832, "Meta"} -> {{1, 60207, 1}, {"", ""}}, 
   {644.4889, 14.399479, "Meta"} -> {{1, 57844, 1}, {"", ""}}, 
   {782.5681, 14.399292, "Meta"} -> {{1, 1, 1}, {"GPCho(18:1(9Z)/18:3(9Z,12Z,\
15Z)[U]) [ C44 H81 N O8 P, db=94.15, overall=47.08, Lipid ID=LMGP01010899, \
KEGG ID= ]", ""}}, {1982.2996, 14.399588, "Meta"} -> 
    {{1, 104683, 73690}, {"", ""}}, {1977.3427, 14.395542, "Meta"} -> 
    {{1, 18467, 62275}, {"", ""}}, {415.3658, 14.408801, "Meta"} -> 
    {{1, 33087, 26920}, {"", ""}}, {1894.2448, 14.404812, "Meta"} -> 
    {{1, 145864, 1}, {"", ""}}, {539.2676, 14.406583, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {258.1832, 14.399001, "Meta"} -> 
    {{1, 22201, 1}, {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=63.45, \
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   {1674.1147, 14.420113, "Meta"} -> {{1, 281631, 187037}, {"", ""}}, 
   {1669.1595, 14.419, "Meta"} -> {{1, 177795, 198121}, {"", ""}}, 
   {607.7394, 14.417484, "Meta"} -> {{1, 36505, 29778}, {"", ""}}, 
   {690.5302, 14.423751, "Meta"} -> {{1, 58577, 1}, {"", ""}}, 
   {410.3766, 14.434156, "Meta"} -> {{1, 16378, 37701}, {"", ""}}, 
   {1458.941, 14.442542, "Meta"} -> {{1, 156168, 103404}, {"", ""}}, 
   {1360.9753, 14.447921, "Meta"} -> {{1, 1, 154366}, {"", ""}}, 
   {415.4019, 14.450322, "Meta"} -> {{1, 19097, 14724}, {"", ""}}, 
   {1326.8624, 14.456611, "Meta"} -> {{1, 67896, 1}, {"", ""}}, 
   {433.3763, 14.454422, "Meta"} -> {{1, 88513, 33660}, 
     {"(+/-)N-(2-fluro-ethyl)-2,16,16-trimethyl-5Z,8Z,11Z,14Z-tricosatetraeno\
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     {"3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-one [ C28 H50 O4, \
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   {998.7598, 14.480124, "Meta"} -> {{1, 49541, 1}, {"", ""}}, 
   {568.4706, 14.499832, "Meta"} -> {{1, 1, 677364}, {"", ""}}, 
   {640.1112, 14.502998, "Meta"} -> {{1, 1, 32248}, {"", ""}}, 
   {537.4164, 14.511375, "Meta"} -> {{1, 722867, 1}, {"", ""}}, 
   {1859.2772, 14.508418, "Meta"} -> {{1, 95340, 88118}, {"", ""}}, 
   {820.8858, 14.511085, "Meta"} -> {{1, 1, 41503}, 
     {"Iohexol [ C19 H26 I3 N3 O9, db=28.84, overall=14.42, KEGG ID=, CAS \
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    {{1, 77249, 24748}, {"", ""}}, {484.3078, 14.513251, "Meta"} -> 
    {{1, 14137, 1}, {"", ""}}, {556.449, 14.513818, "Meta"} -> 
    {{1, 204250, 190944}, {"", ""}}, {1727.2, 14.51852, "Meta"} -> 
    {{1, 122858, 117490}, {"", ""}}, {371.3507, 14.486881, "Meta"} -> 
    {{1, 13474, 20976}, {"", ""}}, {1428.9324, 14.556345, "Meta"} -> 
    {{1, 1, 19421}, {"", ""}}, {246.2343, 14.558037, "Meta"} -> 
    {{1, 29422, 1}, {"Dodecylbenzene [ C18 H30, db=85.43, overall=42.71, HMP \
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    {{1, 27087, 1}, {"", ""}}, {353.239, 14.559209, "Meta"} -> 
    {{1, 33315, 1}, {"", ""}}, {320.307, 14.586639, "Meta"} -> 
    {{1, 18291, 10766}, {"", ""}}, {674.1341, 14.583749, "Meta"} -> 
    {{1, 30916, 27758}, {"", ""}}, {1922.2782, 14.597296, "Meta"} -> 
    {{1, 76219, 58421}, {"", ""}}, {648.6536, 14.599898, "Meta"} -> 
    {{1, 56034, 1}, {"", ""}}, {721.5625, 14.639969, "Meta"} -> 
    {{1, 190224, 41612}, {"", ""}}, {796.2077, 14.596042, "Meta"} -> 
    {{1, 50589, 43428}, {"", ""}}, {356.3766, 14.611617, "Meta"} -> 
    {{1, 38840, 12675}, {"", ""}}, {729.6274, 14.614373, "Meta"} -> 
    {{1, 292195, 1}, {"", ""}}, {616.4684, 14.621041, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {292.1672, 14.630277, "Meta"} -> 
    {{1, 203281, 1}, {"", ""}}, {783.0571, 14.639333, "Meta"} -> 
    {{1, 58137, 1}, {"", ""}}, {516.2764, 14.643195, "Meta"} -> 
    {{1, 98132, 1}, {"", ""}}, {126.1405, 14.642334, "Meta"} -> 
    {{1, 138169, 1}, {"", ""}}, {449.3507, 14.649598, "Meta"} -> 
    {{1, 374491, 1}, {"", ""}}, {714.5294, 14.645124, "Meta"} -> 
    {{1, 102669, 194215}, {"1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-(4Z,7Z,\
10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol [ C47 H70 O5, db=26.90, \
overall=13.45, KEGG ID=, CAS ID= ]", ""}}, {148.0158, 14.662999, "Meta"} -> 
    {{1, 281610, 1}, {"", ""}}, {1975.3611, 14.680179, "Meta"} -> 
    {{1, 62754, 35455}, {"", ""}}, {1304.9498, 14.676501, "Meta"} -> 
    {{1, 95957, 1}, {"", ""}}, {1288.9882, 14.677895, "Meta"} -> 
    {{1, 241910, 1}, {"", ""}}, {314.2456, 14.663063, "Meta"} -> 
    {{1, 1, 340272}, {"Octadecanedioic acid [ C18 H34 O4, db=84.30, \
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   {1887.3066, 14.691118, "Meta"} -> {{1, 65193, 1}, {"", ""}}, 
   {718.5628, 14.687387, "Meta"} -> {{1, 282918, 1}, {"", ""}}, 
   {623.4396, 14.6919565, "Meta"} -> {{1, 67066, 1}, {"", ""}}, 
   {645.6059, 14.685749, "Meta"} -> {{1, 35088, 1}, {"", ""}}, 
   {628.3971, 14.698038, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1843.2805, 14.697259, "Meta"} -> {{1, 41940, 43054}, {"", ""}}, 
   {648.5186, 14.694042, "Meta"} -> {{1, 68074, 1}, {"", ""}}, 
   {408.3972, 14.705543, "Meta"} -> {{1, 64673, 1}, 
     {"2,4-dimethyl-2-pentacosenoic acid [ C27 H52 O2, db=74.43, \
overall=37.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {1226.7506, 14.711852, "Meta"} -> {{1, 127868, 1}, 
     {"Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=97.82, \
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   {645.4183, 14.717676, "Meta"} -> {{1, 123807, 112640}, {"", ""}}, 
   {698.468, 14.730161, "Meta"} -> {{1, 33094, 1}, {"", ""}}, 
   {758.5008, 14.730802, "Meta"} -> {{1, 43284, 1}, {"", ""}}, 
   {337.2991, 14.743073, "Meta"} -> {{1, 88621, 1}, {"", ""}}, 
   {567.4826, 14.741691, "Meta"} -> {{1, 49224, 219848}, {"", ""}}, 
   {335.2823, 14.734916, "Meta"} -> {{1, 325022, 95629}, {"", ""}}, 
   {224.1774, 14.743076, "Meta"} -> {{1, 1, 1}, {"5Z,8Z-tetradecadienoic acid \
[ C14 H24 O2, db=58.15, overall=29.08, Lipid ID=, KEGG ID= ]", ""}}, 
   {311.2823, 14.741, "Meta"} -> {{1, 378501, 1}, {"", ""}}, 
   {410.3415, 14.759458, "Meta"} -> {{1, 1, 222081}, {"", ""}}, 
   {578.4528, 14.761768, "Meta"} -> {{1, 47709, 1}, {"", ""}}, 
   {821.8807, 14.768291, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {454.306, 14.7669325, "Meta"} -> {{1, 377840, 79912}, 
     {"26,26,26-trifluoro-25-hydroxyvitamin D3 / \
26,26,26-trifluoro-25-hydroxycholecalciferol [ C27 H41 F3 O2, db=96.49, \
overall=48.25, Lipid ID=LMST03020131, KEGG ID= ]", ""}}, 
   {754.4952, 14.762309, "Meta"} -> {{1, 22280, 1}, {"", ""}}, 
   {544.4848, 14.776436, "Meta"} -> {{1, 47307, 47374}, {"", ""}}, 
   {1023.6713, 14.774457, "Meta"} -> {{1, 88569, 1}, 
     {"Trihexosylceramide (d18:1/16:0) [ C52 H97 N O18, db=90.02, \
overall=45.01, HMP ID=HMDB04879, KEGG ID= ]", ""}}, 
   {278.1698, 14.775679, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {647.6214, 14.772876, "Meta"} -> {{1, 35297, 1}, 
     {"Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, db=98.12, overall=49.06, \
HMP ID=HMDB04953, KEGG ID= ]", ""}}, {434.3759, 14.783721, "Meta"} -> 
    {{1, 37573, 1}, {"6-deoxoteasterone [ C28 H50 O3, db=63.15, \
overall=31.57, Lipid ID=LMST01030120, KEGG ID= ]", ""}}, 
   {724.4845, 14.780425, "Meta"} -> {{1, 23420, 21264}, {"", ""}}, 
   {406.3782, 14.821377, "Meta"} -> {{1, 16059, 1}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=55.72, \
overall=27.86, Lipid ID=, KEGG ID= ]", ""}}, {704.5472, 14.802679, "Meta"} -> 
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   {504.0638, 0.3671143, "Meta"} -> {{26798, 30779, 26347}, {"", ""}}, 
   {682.0872, 0.36725715, "Meta"} -> {{25642, 24789, 22410}, {"", ""}}, 
   {518.081, 0.36761123, "Meta"} -> {{61696, 64186, 56840}, {"", ""}}, 
   {168.0872, 0.36461288, "Meta"} -> {{1, 99986, 99199}, {"", ""}}, 
   {354.0757, 0.36960006, "Meta"} -> {{116186, 111324, 100020}, 
     {"N-Desmethylketazolam [ C19 H15 Cl N2 O3, db=61.05, overall=30.52, KEGG \
ID=, CAS ID=26945-40-4 ]", "26945-40-4"}}, {764.0883, 0.36781484, "Meta"} -> 
    {{13244, 12671, 12863}, {"", ""}}, {1442.1014, 0.36745453, "Meta"} -> 
    {{18038, 18086, 14606}, {"", ""}}, {1110.0033, 0.36859375, "Meta"} -> 
    {{56572, 50229, 52010}, {"", ""}}, {185.9878, 0.37075, "Meta"} -> 
    {{3100028, 3174991, 3198537}, {"", ""}}, 
   {103.9855, 0.37086117, "Meta"} -> {{1238240, 1208249, 1187813}, {"", ""}}, 
   {842.5152, 0.37236363, "Meta"} -> {{59627, 59486, 58880}, 
     {"Spiramycin 1 [ C43 H74 N2 O14, db=50.52, overall=25.26, KEGG \
ID=C01754, CAS ID=24916-50-5 ]", "24916-50-5"}}, 
   {1274.0109, 0.37162504, "Meta"} -> {{180672, 181239, 172819}, {"", ""}}, 
   {2094.0337, 0.37128574, "Meta"} -> {{81479, 81293, 80585}, {"", ""}}, 
   {2504.0469, 0.37122574, "Meta"} -> {{38395, 38015, 42302}, {"", ""}}, 
   {2176.057, 0.37145713, "Meta"} -> {{118176, 119345, 113018}, {"", ""}}, 
   {1848.0302, 0.37174284, "Meta"} -> {{305482, 300900, 307581}, {"", ""}}, 
   {678.5085, 0.37215626, "Meta"} -> {{1, 44755, 46032}, 
     {"GPCho(14:0/14:0[U]) [ C36 H73 N O8 P, db=51.87, overall=25.93, Lipid \
ID=LMGP01010478, KEGG ID= ]", ""}}, {678.0101, 0.37240005, "Meta"} -> 
    {{1031672, 1020404, 1018601}, {"", ""}}, {760.0074, 0.3722353, "Meta"} -> 
    {{659628, 646087, 647187}, {"", ""}}, {349.9932, 0.3725278, "Meta"} -> 
    {{2254272, 2183539, 2038347}, {"", ""}}, 
   {2012.0356, 0.37163636, "Meta"} -> {{252083, 247802, 249803}, {"", ""}}, 
   {760.5129, 0.37200004, "Meta"} -> {{1, 1, 50630}, {"", ""}}, 
   {1930.0293, 0.37155885, "Meta"} -> {{131948, 122769, 123499}, {"", ""}}, 
   {1766.0236, 0.37175757, "Meta"} -> {{159085, 158809, 162902}, {"", ""}}, 
   {1438.0165, 0.37166667, "Meta"} -> {{219784, 212450, 206523}, {"", ""}}, 
   {1602.032, 0.37169698, "Meta"} -> {{218045, 201166, 207082}, {"", ""}}, 
   {2258.056, 0.37132356, "Meta"} -> {{52417, 51043, 45457}, {"", ""}}, 
   {2340.0415, 0.3715, "Meta"} -> {{75730, 64385, 72117}, {"", ""}}, 
   {1617.9949, 0.37353334, "Meta"} -> {{57307, 55015, 56518}, {"", ""}}, 
   {842.0098, 0.37212902, "Meta"} -> {{486647, 481943, 495563}, {"", ""}}, 
   {596.003, 0.3728823, "Meta"} -> {{1605304, 1562396, 1604244}, {"", ""}}, 
   {431.9965, 0.37666664, "Meta"} -> {{3040808, 2958830, 2956660}, {"", ""}}, 
   {1781.9979, 0.37309682, "Meta"} -> {{46794, 40517, 45034}, {"", ""}}, 
   {514.0034, 0.37308568, "Meta"} -> {{3196029, 3050465, 3038309}, {"", ""}}, 
   {267.9908, 0.3730278, "Meta"} -> {{5971651, 5814531, 5662755}, {"", ""}}, 
   {2110.02, 0.37291667, "Meta"} -> {{23178, 23040, 25425}, {"", ""}}, 
   {1535.9908, 0.37340006, "Meta"} -> {{44601, 43136, 48940}, {"", ""}}, 
   {1371.9957, 0.3735173, "Meta"} -> {{40408, 40663, 36667}, {"", ""}}, 
   {1864.011, 0.3730323, "Meta"} -> {{35785, 36212, 38907}, {"", ""}}, 
   {1699.9985, 0.3731875, "Meta"} -> {{51149, 43360, 43861}, {"", ""}}, 
   {1946.0074, 0.37290323, "Meta"} -> {{35539, 31860, 35958}, {"", ""}}, 
   {2028.023, 0.37268, "Meta"} -> {{28420, 29795, 29458}, {"", ""}}, 
   {365.97, 0.37485716, "Meta"} -> {{149168, 149432, 152193}, {"", ""}}, 
   {1453.9904, 0.3735, "Meta"} -> {{49966, 47310, 47746}, {"", ""}}, 
   {1207.9905, 0.37368754, "Meta"} -> {{24331, 24314, 23109}, {"", ""}}, 
   {447.9728, 0.37527272, "Meta"} -> {{242284, 237743, 240539}, {"", ""}}, 
   {1289.9849, 0.37362495, "Meta"} -> {{34267, 34257, 33213}, {"", ""}}, 
   {529.9721, 0.37509674, "Meta"} -> {{238777, 227738, 246161}, {"", ""}}, 
   {283.9663, 0.37641668, "Meta"} -> {{319900, 310467, 316268}, {"", ""}}, 
   {693.9824, 0.3773871, "Meta"} -> {{103414, 102077, 99427}, {"", ""}}, 
   {775.9853, 0.37764287, "Meta"} -> {{77869, 64303, 69705}, {"", ""}}, 
   {611.9799, 0.37734482, "Meta"} -> {{147826, 137629, 143189}, {"", ""}}, 
   {857.9875, 0.3774839, "Meta"} -> {{57367, 48070, 48123}, {"", ""}}, 
   {1413.9979, 0.38107693, "Meta"} -> {{46601, 43782, 48433}, {"", ""}}, 
   {1331.9816, 0.38222224, "Meta"} -> {{49945, 45316, 45720}, {"", ""}}, 
   {1495.995, 0.38175866, "Meta"} -> {{47844, 1, 44837}, {"", ""}}, 
   {1249.9858, 0.38258335, "Meta"} -> {{42018, 50129, 38468}, {"", ""}}, 
   {1167.9846, 0.38393104, "Meta"} -> {{1, 33572, 37633}, {"", ""}}, 
   {571.9606, 0.3881667, "Meta"} -> {{1, 1, 188315}, {"", ""}}, 
   {489.9575, 0.38891178, "Meta"} -> {{278067, 275500, 283028}, {"", ""}}, 
   {407.9539, 0.38981822, "Meta"} -> {{322157, 328333, 325850}, {"", ""}}, 
   {325.9501, 0.3924723, "Meta"} -> {{233289, 220340, 215789}, {"", ""}}, 
   {465.9127, 0.39305556, "Meta"} -> {{205746, 193313, 199620}, {"", ""}}, 
   {259.9214, 0.39474198, "Meta"} -> {{1, 129522, 141000}, {"", ""}}, 
   {605.8735, 0.39525005, "Meta"} -> {{1, 84717, 1}, {"", ""}}, 
   {243.9473, 0.3973611, "Meta"} -> {{1219086, 1163540, 1198871}, {"", ""}}, 
   {383.9092, 0.39772224, "Meta"} -> {{222912, 196064, 202027}, {"", ""}}, 
   {523.872, 0.3975429, "Meta"} -> {{140519, 130093, 139419}, {"", ""}}, 
   {581.8306, 0.40027776, "Meta"} -> {{127928, 112849, 118619}, {"", ""}}, 
   {639.7888, 0.40351427, "Meta"} -> {{93794, 96120, 86745}, {"", ""}}, 
   {441.8685, 0.4018334, "Meta"} -> {{203412, 194124, 192089}, {"", ""}}, 
   {697.7475, 0.40715998, "Meta"} -> {{1, 1, 81291}, {"", ""}}, 
   {499.8273, 0.40608332, "Meta"} -> {{165868, 153426, 152195}, {"", ""}}, 
   {615.7448, 0.40847063, "Meta"} -> {{140445, 1, 1}, {"", ""}}, 
   {301.9058, 0.40786114, "Meta"} -> {{252795, 233379, 223513}, {"", ""}}, 
   {673.7031, 0.41129026, "Meta"} -> {{98109, 87479, 69496}, {"", ""}}, 
   {359.8649, 0.41030556, "Meta"} -> {{180371, 169611, 174705}, {"", ""}}, 
   {417.8229, 0.4105714, "Meta"} -> {{210618, 187706, 186699}, {"", ""}}, 
   {755.7073, 0.41121435, "Meta"} -> {{66071, 1, 59406}, {"", ""}}, 
   {475.7822, 0.41099995, "Meta"} -> {{156148, 39961, 132429}, {"", ""}}, 
   {575.7568, 0.41006452, "Meta"} -> {{21219, 12871, 22651}, {"", ""}}, 
   {219.9025, 0.4121111, "Meta"} -> {{466562, 441218, 442565}, {"", ""}}, 
   {651.6545, 0.41184002, "Meta"} -> {{62446, 55926, 58550}, 
     {"Cer(d18:0/24:0) [ C42 H85 N O3, db=58.22, overall=29.11, Lipid \
ID=LMSP02020012, KEGG ID= ]", ""}}, {593.6968, 0.41163632, "Meta"} -> 
    {{94787, 82652, 1}, {"", ""}}, {277.8617, 0.41355553, "Meta"} -> 
    {{263055, 1, 245019}, {"", ""}}, {161.944, 0.4130858, "Meta"} -> 
    {{234926, 224535, 216853}, {"", ""}}, {607.0989, 0.41675, "Meta"} -> 
    {{10674, 23407, 23852}, {"", ""}}, {525.0954, 0.41841662, "Meta"} -> 
    {{28265, 52424, 54812}, {"Sertraline Carbamic acid glucuronide [ C24 H25 \
Cl2 N O8, db=66.50, overall=33.25, KEGG ID=, CAS ID=119733-44-7 ]", 
      "119733-44-7"}}, {377.0618, 0.41700003, "Meta"} -> 
    {{1, 1, 23466}, {"", ""}}, {295.0595, 0.42075, "Meta"} -> 
    {{108169, 209075, 231244}, {"5-Aminoimidazole ribonucleotide [ C8 H14 N3 \
O7 P, db=61.18, overall=30.59, HMP ID=HMDB01235, KEGG ID= ]", ""}}, 
   {361.0891, 0.4204722, "Meta"} -> {{176559, 376761, 379723}, 
     {"His Cys Cys [ C12 H19 N5 O4 S2, db=74.60, overall=37.30 ]", ""}}, 
   {443.0923, 0.42244443, "Meta"} -> {{42333, 80976, 78979}, {"", ""}}, 
   {536.1894, 0.42578793, "Meta"} -> {{1, 97639, 101453}, {"", ""}}, 
   {342.008, 0.44034287, "Meta"} -> {{64691, 62631, 55497}, {"", ""}}, 
   {279.085, 0.43405554, "Meta"} -> {{789435, 2596305, 2502424}, {"", ""}}, 
   {284.0491, 0.4420606, "Meta"} -> {{76431, 1, 64608}, {"", ""}}, 
   {103.0999, 0.44377777, "Meta"} -> {{113991, 342161, 322083}, {"", ""}}, 
   {481.9704, 0.44212005, "Meta"} -> {{10931, 1, 8950}, {"", ""}}, 
   {183.0875, 0.44372222, "Meta"} -> {{454818, 348399, 328246}, {"", ""}}, 
   {224.0281, 0.4447647, "Meta"} -> {{214788, 207766, 175747}, 
     {"Cys Cys [ C6 H12 N2 O3 S2, db=64.23, overall=32.11 ]", ""}}, 
   {457.0211, 0.45377782, "Meta"} -> {{12148, 17859, 14252}, {"", ""}}, 
   {135.0411, 0.4499394, "Meta"} -> {{880337, 716290, 643367}, {"", ""}}, 
   {262.078, 0.45158333, "Meta"} -> {{425718, 382925, 360112}, 
     {"Asp Glu [ C9 H14 N2 O7, db=81.80, overall=40.90 ]", ""}}, 
   {202.0446, 0.45386112, "Meta"} -> {{9725940, 8824019, 8350934}, {"", ""}}, 
   {159.0275, 0.45163885, "Meta"} -> {{130047, 109715, 97988}, {"", ""}}, 
   {220.1785, 0.4556666, "Meta"} -> {{125492, 129595, 126757}, {"", ""}}, 
   {404.092, 0.45348275, "Meta"} -> {{59349, 62110, 57045}, {"", ""}}, 
   {315.1044, 0.4536389, "Meta"} -> {{335492, 263252, 237319}, {"", ""}}, 
   {320.036, 0.4549231, "Meta"} -> {{35921, 31407, 33149}, {"", ""}}, 
   {382.1086, 0.45669445, "Meta"} -> {{4370258, 3763852, 3596846}, {"", ""}}, 
   {396.1638, 0.4501666, "Meta"} -> {{1, 21211, 15477}, 
     {"Asn Tyr Thr [ C17 H24 N4 O7, db=83.05, overall=41.53 ]", ""}}, 
   {113.059, 0.45647225, "Meta"} -> {{501464, 415037, 391941}, 
     {"Creatinine [ C4 H7 N3 O, db=69.36, overall=34.68, KEGG ID=C00791, CAS \
ID=60-27-5 ]", "60-27-5"}}, {339.0908, 0.4577187, "Meta"} -> 
    {{31466, 28698, 26599}, 
     {"Cys Ser Met [ C11 H21 N3 O5 S2, db=57.09, overall=28.54 ]", ""}}, 
   {337.0433, 0.45780003, "Meta"} -> {{88306, 323121, 323003}, 
     {"Famotidine [ C8 H15 N7 O2 S3, db=57.43, overall=28.71, KEGG ID=C06994, \
CAS ID=76824-35-6 ]", "76824-35-6"}}, {114.0292, 0.45835483, "Meta"} -> 
    {{73520, 123002, 135319}, {"", ""}}, {174.1111, 0.46506065, "Meta"} -> 
    {{80573, 82533, 94204}, {"Arginine [ C6 H14 N4 O2, db=51.57, \
overall=25.79, KEGG ID=C00062, CAS ID=74-79-3 ]", "74-79-3"}}, 
   {131.0692, 0.46048486, "Meta"} -> {{500541, 389593, 368877}, 
     {"Creatine [ C4 H9 N3 O2, db=99.16, overall=49.58, KEGG ID=C00300, CAS \
ID=6020-87-7 ]", "6020-87-7"}}, {317.9624, 0.46102777, "Meta"} -> 
    {{285441, 260507, 246144}, {"", ""}}, {260.0039, 0.4610556, "Meta"} -> 
    {{732588, 695574, 687534}, {"", ""}}, {139.0609, 0.45847225, "Meta"} -> 
    {{1469595, 1132640, 1128875}, {"", ""}}, 
   {375.9207, 0.46166673, "Meta"} -> {{208687, 178100, 175923}, {"", ""}}, 
   {498.0259, 0.46341926, "Meta"} -> {{81750, 1, 57262}, {"", ""}}, 
   {161.1053, 0.46408334, "Meta"} -> {{1943204, 1676968, 1602280}, {"", ""}}, 
   {366.1134, 0.4641667, "Meta"} -> {{67937, 58199, 53860}, {"", ""}}, 
   {440.0675, 0.46469444, "Meta"} -> {{253503, 229835, 215824}, {"", ""}}, 
   {175.0959, 0.4649032, "Meta"} -> {{39495, 53793, 45942}, 
     {"Citrulline [ C6 H13 N3 O3, db=47.39, overall=23.69, KEGG ID=C00327, \
CAS ID=372-75-8 ]", "372-75-8"}}, {115.0636, 0.4639722, "Meta"} -> 
    {{1300652, 1309131, 1270886}, {"Proline [ C5 H9 N O2, db=87.30, \
overall=43.65, KEGG ID=C00148, CAS ID=147-85-3 ]", "147-85-3"}}, 
   {256.1436, 0.4642592, "Meta"} -> {{227887, 1, 184003}, {"", ""}}, 
   {399.0646, 0.4658, "Meta"} -> {{51466, 43323, 41586}, {"", ""}}, 
   {192.1473, 0.46303123, "Meta"} -> {{109073, 92789, 96877}, {"", ""}}, 
   {341.1066, 0.46715382, "Meta"} -> {{47305, 42899, 41464}, 
     {"Tyr Cys Gly [ C14 H19 N3 O5 S, db=77.47, overall=38.73 ]", ""}}, 
   {248.1483, 0.46862853, "Meta"} -> {{82478, 60463, 68191}, {"", ""}}, 
   {159.1256, 0.47108328, "Meta"} -> {{315831, 274150, 257118}, 
     {"DL-2-Aminooctanoic acid [ C8 H17 N O2, db=86.92, overall=43.46, HMP \
ID=HMDB00991, KEGG ID= ]", ""}}, {60.0325, 0.47265622, "Meta"} -> 
    {{635657, 533032, 423887}, {"Urea [ C H4 N2 O, db=87.80, overall=43.90, \
KEGG ID=C00086, CAS ID=57-13-6 ]", "57-13-6"}}, 
   {297.1425, 0.47046667, "Meta"} -> {{395178, 339388, 307734}, 
     {"Ala His Ala [ C12 H19 N5 O4, db=91.10, overall=45.55 ]", ""}}, 
   {117.0784, 0.47286117, "Meta"} -> {{7460550, 7040342, 6569441}, 
     {"5-Aminopentanoic acid [ C5 H11 N O2, db=96.95, overall=48.48, HMP \
ID=HMDB03355, KEGG ID= ]", ""}}, {222.0852, 0.47502783, "Meta"} -> 
    {{112963, 111927, 111445}, {"", ""}}, {302.184, 0.47386664, "Meta"} -> 
    {{32259, 27678, 25524}, {"", ""}}, {240.0955, 0.47499996, "Meta"} -> 
    {{103575, 99928, 97509}, {"", ""}}, {143.0945, 0.4738333, "Meta"} -> 
    {{2247317, 1891376, 1969686}, {"Triparanol [ C7 H13 N O2, db=69.83, \
overall=34.92, HMP ID=HMDB01378, KEGG ID= ]", ""}}, 
   {228.1473, 0.47896966, "Meta"} -> {{354361, 332577, 284434}, 
     {"Leu Pro [ C11 H20 N2 O3, db=61.48, overall=30.74 ]", ""}}, 
   {257.1031, 0.48044443, "Meta"} -> {{387079, 1753535, 1778938}, 
     {"5-Methylcytidine [ C10 H15 N3 O5, db=85.28, overall=42.64, HMP \
ID=HMDB00982, KEGG ID=, CAS ID=2140-61-6 ]", "2140-61-6"}}, 
   {71.074, 0.48255876, "Meta"} -> {{1131546, 1108764, 1043494}, {"", ""}}, 
   {157.1101, 0.4915172, "Meta"} -> {{50948, 28871, 1}, 
     {"Tranexamic acid [ C8 H15 N O2, db=82.75, overall=41.37, KEGG \
ID=C12535, CAS ID=1197-18-8 ]", "1197-18-8"}}, 
   {144.042, 0.48648572, "Meta"} -> {{169309, 149597, 148349}, 
     {"(E)-2-Methylglutaconic acid [ C6 H8 O4, db=81.83, overall=40.91, HMP \
ID=HMDB02266, KEGG ID= ]", ""}}, {240.1471, 0.48564285, "Meta"} -> 
    {{1, 30020, 42636}, {"", ""}}, {162.0524, 0.48472, "Meta"} -> 
    {{194758, 196131, 185317}, {"2-Hydroxyadipic acid [ C6 H10 O5, db=74.88, \
overall=37.44, HMP ID=HMDB00321, KEGG ID= ]", ""}}, 
   {307.0891, 0.4947, "Meta"} -> {{28053, 28128, 19533}, 
     {"Succinyllipoic acid [ C12 H21 N O4 S2, db=34.62, overall=17.31, HMP \
ID=HMDB01012, KEGG ID= ]", ""}}, {247.9688, 0.49561107, "Meta"} -> 
    {{78078, 172547, 127072}, {"", ""}}, {198.0384, 0.50133336, "Meta"} -> 
    {{124557, 103678, 115995}, {"", ""}}, {168.0283, 0.50608325, "Meta"} -> 
    {{1880632, 1752784, 1552744}, {"Uric acid [ C5 H4 N4 O3, db=97.37, \
overall=48.69, KEGG ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, 
   {191.0248, 0.5051143, "Meta"} -> {{74540, 134979, 132248}, {"", ""}}, 
   {348.0916, 0.5082572, "Meta"} -> {{122296, 117987, 108125}, {"", ""}}, 
   {280.0422, 0.50655884, "Meta"} -> {{36856, 23143, 1}, {"", ""}}, 
   {133.9952, 0.5028, "Meta"} -> {{33325, 170202, 158798}, {"", ""}}, 
   {129.0423, 0.50794446, "Meta"} -> {{421263, 596901, 435806}, 
     {"Pyroglutamic acid [ C5 H7 N O3, db=86.82, overall=43.41, KEGG \
ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, {309.1056, 0.5132, "Meta"} -> 
    {{40201, 49484, 45401}, {"N-Acetyl-a-neuraminic acid [ C11 H19 N O9, \
db=51.18, overall=25.59, HMP ID=HMDB00773, KEGG ID= ]", ""}}, 
   {548.0497, 0.5119356, "Meta"} -> {{44324, 40050, 1}, {"", ""}}, 
   {112.0135, 0.51612, "Meta"} -> {{841484, 1, 538644}, {"", ""}}, 
   {396.0151, 0.5267038, "Meta"} -> {{93635, 92585, 79206}, {"", ""}}, 
   {393.0659, 0.53931427, "Meta"} -> {{109654, 103611, 84763}, 
     {"5-Hydroxythiabendazole glucuronide [ C16 H15 N3 O7 S, db=55.85, \
overall=27.93, KEGG ID=, CAS ID=6801-82-7 ]", "6801-82-7"}}, 
   {185.1047, 0.54106057, "Meta"} -> {{76486, 77090, 69621}, 
     {"Ecgonine [ C9 H15 N O3, db=82.32, overall=41.16, KEGG ID=, CAS \
ID=481-37-8 ]", "481-37-8"}}, {159.068, 0.54042304, "Meta"} -> 
    {{40753, 1, 41348}, {"Indoleacetaldehyde [ C10 H9 N O, db=55.69, \
overall=27.85, HMP ID=HMDB01190, KEGG ID= ]", ""}}, 
   {132.0244, 0.54202855, "Meta"} -> {{122374, 117234, 106986}, {"", ""}}, 
   {149.0507, 0.54125, "Meta"} -> {{1214130, 1247593, 942666}, 
     {"Methionine [ C5 H11 N O2 S, db=99.04, overall=49.52, KEGG ID=C00073, \
CAS ID=63-68-3 ]", "63-68-3"}}, {279.1315, 0.54772216, "Meta"} -> 
    {{229019, 227647, 158719}, {"", ""}}, {164.047, 0.5517223, "Meta"} -> 
    {{237045, 225424, 189076}, {"p-Coumaric acid [ C9 H8 O3, db=86.35, \
overall=43.17, KEGG ID=, CAS ID=7400-08-0 ]", "7400-08-0"}}, 
   {181.0737, 0.5518889, "Meta"} -> {{2725267, 2626561, 2434004}, 
     {"Tyrosine [ C9 H11 N O3, db=99.43, overall=49.71, KEGG ID=C00082, CAS \
ID=60-18-4 ]", "60-18-4"}}, {122.0354, 0.55100006, "Meta"} -> 
    {{242270, 173383, 179281}, {"", ""}}, {321.1047, 0.5580909, "Meta"} -> 
    {{150783, 86030, 76135}, {"", ""}}, {311.1578, 0.55884373, "Meta"} -> 
    {{472696, 125995, 443088}, 
     {"Gly Val His [ C13 H21 N5 O4, db=80.96, overall=40.48 ]", ""}}, 
   {131.0946, 0.5592222, "Meta"} -> {{3.09*^7, 3.02*^7, 2.83*^7}, 
     {"Leucine [ C6 H13 N O2, db=99.82, overall=49.91, KEGG ID=C00123, CAS \
ID=61-90-5 ]", "61-90-5"}}, {85.0889, 0.5585, "Meta"} -> 
    {{4157712, 3982089, 3540932}, {"", ""}}, 
   {175.0582, 0.55870366, "Meta"} -> {{208868, 194641, 176315}, 
     {"Guanidinosuccinic Acid [ C5 H9 N3 O4, db=74.59, overall=37.29, KEGG \
ID=C03139, CAS ID=6133-30-8 ]", "6133-30-8"}}, 
   {230.0767, 0.58708334, "Meta"} -> {{29067, 1, 23198}, {"", ""}}, 
   {124.0136, 0.573853, "Meta"} -> {{103614, 194233, 155122}, {"", ""}}, 
   {262.1892, 0.5915186, "Meta"} -> {{190081, 386495, 156193}, {"", ""}}, 
   {315.1291, 0.6577931, "Meta"} -> {{46712, 46560, 36565}, {"", ""}}, 
   {181.0738, 0.63259375, "Meta"} -> {{1359912, 1477662, 1323515}, 
     {"Tyrosine [ C9 H11 N O3, db=99.69, overall=49.85, KEGG ID=C00082, CAS \
ID=60-18-4 ]", "60-18-4"}}, {321.1046, 0.64432, "Meta"} -> 
    {{1, 71819, 65620}, {"", ""}}, {262.1526, 0.64625, "Meta"} -> 
    {{26139, 26331, 1}, {"", ""}}, {85.0891, 0.65061104, "Meta"} -> 
    {{4246587, 4185253, 3580300}, {"", ""}}, 
   {131.0943, 0.65075004, "Meta"} -> {{3.24*^7, 3.25*^7, 2.92*^7}, 
     {"Leucine [ C6 H13 N O2, db=98.20, overall=49.10, KEGG ID=C00123, CAS \
ID=61-90-5 ]", "61-90-5"}}, {184.0232, 0.6469033, "Meta"} -> 
    {{431708, 1, 578891}, {"", ""}}, {396.0152, 0.65655553, "Meta"} -> 
    {{63511, 58657, 60349}, {"", ""}}, {198.0385, 0.6591563, "Meta"} -> 
    {{81460, 87711, 77777}, {"", ""}}, {366.1426, 0.73793095, "Meta"} -> 
    {{87609, 99324, 89894}, {"", ""}}, {564.0432, 0.6553846, "Meta"} -> 
    {{24745, 1, 1}, {"", ""}}, {168.0284, 0.66358334, "Meta"} -> 
    {{3521764, 3404540, 3015830}, {"Uric acid [ C5 H4 N4 O3, db=99.35, \
overall=49.68, KEGG ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, 
   {352.0513, 0.6635001, "Meta"} -> {{115558, 114230, 114707}, {"", ""}}, 
   {191.0249, 0.6656572, "Meta"} -> {{215322, 331494, 378538}, {"", ""}}, 
   {176.0948, 0.66323525, "Meta"} -> {{75516, 59034, 57931}, 
     {"Serotonin [ C10 H12 N2 O, db=81.86, overall=40.93, KEGG ID=C00780, CAS \
ID=50-67-9 ]", "50-67-9"}}, {343.1261, 0.6673332, "Meta"} -> 
    {{31362, 44521, 33282}, {"b-D-Glucopyranosiduronic acid [ C15 H21 N O8, \
db=84.47, overall=42.23, KEGG ID=, CAS ID=33150-82-2 ]", "33150-82-2"}}, 
   {159.0679, 0.6692903, "Meta"} -> {{61194, 58139, 54131}, 
     {"Indoleacetaldehyde [ C10 H9 N O, db=58.61, overall=29.30, HMP \
ID=HMDB01190, KEGG ID= ]", ""}}, {542.0351, 0.6685769, "Meta"} -> 
    {{1, 1, 1}, {"cefonicid [ C18 H18 N6 O8 S3, db=52.28, overall=26.14, KEGG \
ID=, CAS ID= ]", ""}}, {267.1331, 0.6696945, "Meta"} -> 
    {{74252, 80530, 77881}, {"", ""}}, {346.076, 0.6595, "Meta"} -> 
    {{1, 33094, 39741}, {"", ""}}, {366.0667, 0.6683939, "Meta"} -> 
    {{33722, 1, 23661}, {"", ""}}, {348.0913, 0.6686563, "Meta"} -> 
    {{73698, 84005, 82761}, {"", ""}}, {478.0537, 0.6733429, "Meta"} -> 
    {{16583, 35255, 36813}, {"", ""}}, {129.0423, 0.67652774, "Meta"} -> 
    {{430851, 477162, 570509}, {"Pyroglutamic acid [ C5 H7 N O3, db=60.99, \
overall=30.50, KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {297.0706, 0.67399997, "Meta"} -> {{23271, 25694, 20632}, {"", ""}}, 
   {414.0701, 0.68071425, "Meta"} -> {{27036, 25740, 24118}, {"", ""}}, 
   {104.0473, 0.7109601, "Meta"} -> {{128306, 164273, 2015395}, 
     {"a-hydroxybutyrate [ C4 H8 O3, db=87.83, overall=43.92, KEGG ID=, CAS \
ID= ]", ""}}, {293.1474, 0.70211107, "Meta"} -> {{1189885, 1338826, 1055168}, 
     {"", ""}}, {124.0136, 0.698871, "Meta"} -> {{122835, 257558, 215547}, 
     {"", ""}}, {244.0693, 0.69808567, "Meta"} -> 
    {{76748, 77643, 1}, {"Uridine [ C9 H12 N2 O6, db=80.06, overall=40.03, \
KEGG ID=C00299, CAS ID=58-96-8 ]", "58-96-8"}}, 
   {228.1472, 0.70621204, "Meta"} -> {{283063, 283701, 283953}, 
     {"Leu Pro [ C11 H20 N2 O3, db=86.33, overall=43.17 ]", ""}}, 
   {246.1213, 0.72223526, "Meta"} -> {{81555, 80845, 62950}, 
     {"Ile Asp [ C10 H18 N2 O5, db=79.46, overall=39.73 ]", ""}}, 
   {126.0292, 0.7198077, "Meta"} -> {{2129597, 2086725, 1}, {"", ""}}, 
   {347.9839, 0.72131026, "Meta"} -> {{59597, 63940, 74916}, {"", ""}}, 
   {252.1109, 0.7333571, "Meta"} -> {{1, 166963, 148162}, 
     {"Tyr Ala [ C12 H16 N2 O4, db=96.68, overall=48.34 ]", ""}}, 
   {338.0838, 0.75042427, "Meta"} -> {{160847, 1, 113779}, {"", ""}}, 
   {148.0112, 0.75524235, "Meta"} -> {{222863, 1, 200816}, {"", ""}}, 
   {136.0384, 0.7559166, "Meta"} -> {{1885825, 2398676, 2293808}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=95.18, overall=47.59, KEGG ID=C00262, \
CAS ID=68-94-0 ]", "68-94-0"}}, {277.0016, 0.76956004, "Meta"} -> 
    {{200193, 169809, 145791}, {"", ""}}, {161.0507, 0.7749999, "Meta"} -> 
    {{1.42*^7, 291674, 392826}, {"", ""}}, {301.1176, 0.832861, "Meta"} -> 
    {{45520, 42297, 32459}, {"", ""}}, {263.0468, 0.8569698, "Meta"} -> 
    {{41908, 44756, 54408}, {"Normetanephrine sulfate [ C9 H13 N O6 S, \
db=62.13, overall=31.07, KEGG ID=, CAS ID=1215-29-8 ]", "1215-29-8"}}, 
   {427.2543, 0.88016677, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {533.1839, 0.8766785, "Meta"} -> {{35428, 29785, 24565}, {"", ""}}, 
   {208.0844, 0.8729697, "Meta"} -> {{858770, 880895, 781623}, 
     {"Kynurenine [ C10 H12 N2 O3, db=98.79, overall=49.40, KEGG ID=C00328, \
CAS ID=343-65-7 ]", "343-65-7"}}, {310.1159, 0.87493944, "Meta"} -> 
    {{67483, 61512, 59352}, 
     {"Tyr Glu [ C14 H18 N2 O6, db=80.16, overall=40.08 ]", ""}}, 
   {130.0417, 0.889875, "Meta"} -> {{361762, 354251, 291484}, {"", ""}}, 
   {119.0736, 0.8910293, "Meta"} -> {{7956012, 7902607, 7074741}, {"", ""}}, 
   {165.0784, 0.88927776, "Meta"} -> {{4.43*^7, 4.29*^7, 3.97*^7}, 
     {"2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, db=96.07, \
overall=48.03, KEGG ID=, CAS ID=18259-42-2 ]", "18259-42-2"}}, 
   {102.047, 0.8869601, "Meta"} -> {{73651, 1, 36393}, {"", ""}}, 
   {268.0808, 0.88524127, "Meta"} -> {{596327, 315413, 300771}, 
     {"Inosine [ C10 H12 N4 O5, db=85.71, overall=42.86, KEGG ID=C00294, CAS \
ID=58-63-9 ]", "58-63-9"}}, {518.1942, 0.9226364, "Meta"} -> 
    {{33322, 25316, 22793}, {"Gossypol [ C30 H30 O8, db=74.85, overall=37.42, \
Lipid ID=LMPR01030019, KEGG ID=C07667 ]", ""}}, 
   {359.1316, 0.92291445, "Meta"} -> {{46709, 44262, 32076}, 
     {"Asp Glu Pro [ C14 H21 N3 O8, db=49.24, overall=24.62 ]", ""}}, 
   {358.1738, 0.921639, "Meta"} -> {{74203, 59710, 46379}, {"", ""}}, 
   {315.1679, 0.92541665, "Meta"} -> {{5127944, 4293722, 3180903}, {"", ""}}, 
   {246.1213, 0.9403793, "Meta"} -> {{75651, 73261, 59005}, 
     {"Ile Asp [ C10 H18 N2 O5, db=75.39, overall=37.69 ]", ""}}, 
   {348.1567, 0.99688005, "Meta"} -> {{220171, 1, 140410}, 
     {"Ala Arg Cys [ C12 H24 N6 O4 S, db=90.69, overall=45.35 ]", ""}}, 
   {150.0887, 1.0149167, "Meta"} -> {{4.03*^7, 8753311, 2.78*^7}, {"", ""}}, 
   {380.1186, 1.0151613, "Meta"} -> {{273327, 161730, 111444}, 
     {"Cys Gln Met [ C13 H24 N4 O5 S2, db=70.63, overall=35.32 ]", ""}}, 
   {88.0527, 1.0138214, "Meta"} -> {{1167579, 937618, 796805}, 
     {"Acetoin [ C4 H8 O2, db=98.92, overall=49.46, KEGG ID=C00810, CAS \
ID=513-86-0 ]", "513-86-0"}}, {132.0785, 1.0133704, "Meta"} -> 
    {{450480, 1, 1}, {"2-Hydroxy-4-methylvaleric acid [ C6 H12 O3, db=96.66, \
overall=48.33, KEGG ID=, CAS ID=13748-90-8 ]", "13748-90-8"}}, 
   {248.0572, 1.018941, "Meta"} -> {{1083447, 999206, 967275}, 
     {"Pyridoxamine Phosphate [ C8 H13 N2 O5 P, db=92.97, overall=46.48, KEGG \
ID=C00647, CAS ID=529-96-4 ]", "529-96-4"}}, {264.0292, 1.0199355, "Meta"} -> 
    {{440069, 300641, 262227}, {"(3-Methoxy-4-hydroxyphenyl)ethylene glycol \
sulfate [ C9 H12 O7 S, db=58.12, overall=29.06, KEGG ID=, CAS ID=3415-67-6 ]"\
, "3415-67-6"}}, {239.9853, 1.04124, "Meta"} -> {{105457, 34662, 41013}, 
     {"", ""}}, {210.1212, 1.0249231, "Meta"} -> {{390318, 335863, 297110}, 
     {"", ""}}, {338.1254, 1.0379394, "Meta"} -> {{769422, 570314, 427205}, 
     {"", ""}}, {353.0898, 1.0451715, "Meta"} -> {{363722, 239441, 126610}, 
     {"Acenocoumarol [ C19 H15 N O6, db=85.70, overall=42.85, KEGG ID=, CAS \
ID=152-72-7 ]", "152-72-7"}}, {327.1318, 1.0948066, "Meta"} -> 
    {{1, 168055, 230649}, {"", ""}}, {231.1472, 1.1548711, "Meta"} -> 
    {{1, 95691, 109714}, {"Isobutyryl carnitine [ C11 H21 N O4, db=82.39, \
overall=41.19, KEGG ID=, CAS ID=25518-49-4 ]", "25518-49-4"}}, 
   {354.1791, 1.2549354, "Meta"} -> {{541884, 439643, 1}, {"", ""}}, 
   {291.0178, 1.2728126, "Meta"} -> {{64853, 53289, 51433}, {"", ""}}, 
   {276.0544, 1.2674193, "Meta"} -> {{73734, 66568, 60804}, {"", ""}}, 
   {216.0308, 1.2762144, "Meta"} -> {{98914, 91324, 1}, {"", ""}}, 
   {117.0578, 1.2811853, "Meta"} -> {{216615, 211838, 191660}, 
     {"Indole [ C8 H7 N, db=70.72, overall=35.36, KEGG ID=C00463, CAS \
ID=120-72-9 ]", "120-72-9"}}, {204.0894, 1.2753054, "Meta"} -> 
    {{5.81*^7, 5.55*^7, 4.63*^7}, {"Tryptophan [ C11 H12 N2 O2, db=95.92, \
overall=47.96, KEGG ID=C00078, CAS ID=73-22-3 ]", "73-22-3"}}, 
   {187.0628, 1.2740554, "Meta"} -> {{1.41*^7, 1.36*^7, 1.18*^7}, 
     {"Indoleacrylic acid [ C11 H9 N O2, db=97.72, overall=48.86, HMP \
ID=HMDB00734, KEGG ID=, CAS ID=1204-06-4 ]", "1204-06-4"}}, 
   {650.2158, 1.2843436, "Meta"} -> {{57352, 36323, 39691}, {"", ""}}, 
   {302.0588, 1.2867241, "Meta"} -> {{131386, 120336, 1}, {"", ""}}, 
   {276.0543, 1.4092578, "Meta"} -> {{62273, 66964, 48793}, {"", ""}}, 
   {291.0175, 1.4124061, "Meta"} -> {{79743, 64878, 46689}, {"", ""}}, 
   {230.1631, 1.4211999, "Meta"} -> {{149146, 153112, 96312}, 
     {"Leu Val [ C11 H22 N2 O3, db=83.67, overall=41.83 ]", ""}}, 
   {280.1058, 1.5567034, "Meta"} -> {{48866, 44457, 31068}, 
     {"Phe Asp [ C13 H16 N2 O5, db=70.05, overall=35.02 ]", ""}}, 
   {366.1426, 1.5676208, "Meta"} -> {{289062, 125438, 129584}, {"", ""}}, 
   {157.11, 1.5776898, "Meta"} -> {{96653, 84993, 79696}, 
     {"Tranexamic acid [ C8 H15 N O2, db=74.57, overall=37.29, KEGG \
ID=C12535, CAS ID=1197-18-8 ]", "1197-18-8"}}, 
   {219.1104, 1.6220001, "Meta"} -> {{39963, 52449, 51832}, 
     {"Pantothenic Acid [ C9 H17 N O5, db=55.18, overall=27.59, KEGG ID=, CAS \
ID=137-08-6 ]", "137-08-6"}}, {260.1369, 1.7801199, "Meta"} -> 
    {{213534, 1, 193303}, 
     {"Glu Leu [ C11 H20 N2 O5, db=77.86, overall=38.93 ]", ""}}, 
   {208.0161, 1.9748787, "Meta"} -> {{240081, 384956, 186466}, {"", ""}}, 
   {260.1368, 1.9889677, "Meta"} -> {{264716, 1, 163483}, 
     {"Glu Leu [ C11 H20 N2 O5, db=90.71, overall=45.35 ]", ""}}, 
   {131.0368, 2.0663033, "Meta"} -> {{366789, 405417, 595803}, {"", ""}}, 
   {613.3187, 2.414278, "Meta"} -> {{83208, 103010, 88404}, {"", ""}}, 
   {294.1216, 2.470125, "Meta"} -> {{1, 70006, 43111}, 
     {"Aspartame [ C14 H18 N2 O5, db=72.39, overall=36.19, HMP ID=HMDB01894, \
KEGG ID= ]", ""}}, {245.1627, 2.565185, "Meta"} -> 
    {{584124, 477952, 440876}, {"2-Methylbutyroylcarnitine [ C12 H23 N O4, \
db=86.34, overall=43.17, HMP ID=HMDB00378, KEGG ID= ]", ""}}, 
   {246.1366, 2.6443236, "Meta"} -> {{397150, 375370, 317729}, {"", ""}}, 
   {159.1255, 2.8531144, "Meta"} -> {{350491, 335153, 275142}, 
     {"DL-2-Aminooctanoic acid [ C8 H17 N O2, db=83.22, overall=41.61, HMP \
ID=HMDB00991, KEGG ID= ]", ""}}, {294.2798, 2.8666072, "Meta"} -> 
    {{190741, 99962, 147610}, {"", ""}}, {129.1512, 2.8755276, "Meta"} -> 
    {{1.23*^7, 9578120, 9655043}, {"", ""}}, {179.0578, 2.9460568, "Meta"} -> 
    {{2197293, 2078058, 1670567}, {"5,8-Dihydroxy-3,4-dihydrocarbostyril [ C9 \
H9 N O3, db=94.87, overall=47.43, KEGG ID=, CAS ID=59430-56-7 ]", 
      "59430-56-7"}}, {457.2172, 3.21976, "Meta"} -> 
    {{1, 1, 1}, {"Leu Tyr Tyr [ C24 H31 N3 O6, db=60.12, overall=30.06 ]", 
      ""}}, {113.0839, 3.4427686, "Meta"} -> {{77369, 193617, 188836}, 
     {"", ""}}, {457.2171, 3.449129, "Meta"} -> {{1, 37004, 28823}, 
     {"Leu Tyr Tyr [ C24 H31 N3 O6, db=66.31, overall=33.16 ]", ""}}, 
   {353.0194, 3.4831946, "Meta"} -> {{99372, 75219, 60362}, 
     {"H 152/66 [ C16 H13 Cl2 N O4, db=34.19, overall=17.09, KEGG ID=, CAS \
ID=91854-02-3 ]", "91854-02-3"}}, {180.0646, 3.4828331, "Meta"} -> 
    {{1565682, 1494250, 1325573}, {"Paraxanthine [ C7 H8 N4 O2, db=97.04, \
overall=48.52, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {338.0584, 3.4828844, "Meta"} -> {{1, 50205, 41954}, {"", ""}}, 
   {184.1207, 3.5528529, "Meta"} -> {{198806, 177293, 176115}, {"", ""}}, 
   {286.0929, 3.6669033, "Meta"} -> {{409049, 1, 360483}, 
     {"5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin [ C15 H14 \
N2 O4, db=80.32, overall=40.16, KEGG ID=, CAS ID=28129-90-0 ]", 
      "28129-90-0"}}, {262.1315, 3.6955454, "Meta"} -> 
    {{142239, 126906, 109492}, 
     {"Pro Phe [ C14 H18 N2 O3, db=79.05, overall=39.52 ]", ""}}, 
   {484.3516, 3.714577, "Meta"} -> {{34391, 1, 47660}, 
     {"(22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimethyl-23,24-tetradehydro-\
20-epivitamin D3 / (22S)-1alph [ C31 H48 O4, db=68.14, overall=34.07, Lipid \
ID=LMST03020487, KEGG ID= ]", ""}}, {264.1109, 3.7114289, "Meta"} -> 
    {{1297816, 1673569, 1178231}, {"", ""}}, {300.9474, 3.7771254, "Meta"} -> 
    {{86663, 1, 50828}, {"", ""}}, {285.9843, 3.784971, "Meta"} -> 
    {{188096, 155542, 140363}, {"", ""}}, {406.0258, 3.779679, "Meta"} -> 
    {{97193, 84107, 81272}, {"", ""}}, {346.0054, 3.7820883, "Meta"} -> 
    {{367788, 305860, 268632}, {"", ""}}, {390.0608, 3.9207745, "Meta"} -> 
    {{75363, 57741, 58376}, {"", ""}}, {194.1056, 3.9298828, "Meta"} -> 
    {{140447, 130757, 114419}, {"3-Hydroxy-N-glycyl-2,6-xylidine \
(3-Hydroxyglycinexylidide) [ C10 H14 N2 O2, db=79.20, overall=39.60, KEGG \
ID=, CAS ID=112606-87-8 ]", "112606-87-8"}}, {123.0431, 3.9404666, "Meta"} -> 
    {{92535, 84098, 88578}, {"Pyrazinamide [ C5 H5 N3 O, db=73.22, \
overall=36.61, KEGG ID=C01956, CAS ID=98-96-4 ]", "98-96-4"}}, 
   {180.0647, 3.9408891, "Meta"} -> {{4239403, 3950016, 3423077}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=98.66, overall=49.33, KEGG ID=, CAS \
ID=611-59-6 ]", "611-59-6"}}, {353.02, 3.9439723, "Meta"} -> 
    {{74724, 65263, 48861}, {"H 152/66 [ C16 H13 Cl2 N O4, db=40.19, \
overall=20.09, KEGG ID=, CAS ID=91854-02-3 ]", "91854-02-3"}}, 
   {338.06, 3.9440384, "Meta"} -> {{33250, 32304, 32575}, 
     {"1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide (AICAR) [ C9 H15 \
N4 O8 P, db=56.82, overall=28.41, KEGG ID=C04677, CAS ID=3031-94-5 ]", 
      "3031-94-5"}}, {282.0003, 4.0873055, "Meta"} -> 
    {{271349, 262678, 204370}, {"", ""}}, {244.1785, 4.1058927, "Meta"} -> 
    {{60909, 47096, 1}, 
     {"Leu Leu [ C12 H24 N2 O3, db=80.30, overall=40.15 ]", ""}}, 
   {315.2042, 4.138722, "Meta"} -> {{156383, 428040, 244214}, {"", ""}}, 
   {180.0646, 4.184583, "Meta"} -> {{1259158, 1221400, 981577}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=96.10, overall=48.05, KEGG ID=, CAS \
ID=611-59-6 ]", "611-59-6"}}, {196.1205, 4.4604373, "Meta"} -> 
    {{1, 46007, 38779}, {"", ""}}, {259.1781, 4.5265555, "Meta"} -> 
    {{81397, 24615, 21142}, {"L-Glutamic acid dibutyl ester [ C13 H25 N O4, \
db=69.80, overall=34.90, KEGG ID=, CAS ID=4261-76-1 ]", "4261-76-1"}}, 
   {278.1625, 4.5463552, "Meta"} -> {{46269, 43964, 42093}, 
     {"Phe Leu [ C15 H22 N2 O3, db=77.05, overall=38.53 ]", ""}}, 
   {196.1206, 4.620389, "Meta"} -> {{150420, 102274, 75001}, {"", ""}}, 
   {145.0523, 4.6313715, "Meta"} -> {{1, 146562, 153594}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=73.77, overall=36.88, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {221.0685, 4.632059, "Meta"} -> 
    {{52792, 56510, 55250}, {"5-Carboxymethoxy-3,4-dihydrocarbostyril [ C11 \
H11 N O4, db=64.45, overall=32.22, KEGG ID=, CAS ID=58898-50-3 ]", 
      "58898-50-3"}}, {399.1795, 4.9157567, "Meta"} -> 
    {{49484, 48299, 38902}, 
     {"Tyr Ala Phe [ C21 H25 N3 O5, db=71.49, overall=35.75 ]", ""}}, 
   {185.1049, 4.9669666, "Meta"} -> {{67019, 62785, 52279}, 
     {"Ecgonine [ C9 H15 N O3, db=77.31, overall=38.66, KEGG ID=, CAS \
ID=481-37-8 ]", "481-37-8"}}, {649.3074, 5.013072, "Meta"} -> 
    {{17225, 17879, 15519}, {"", ""}}, {278.163, 5.0759177, "Meta"} -> 
    {{146847, 145191, 129434}, 
     {"Phe Leu [ C15 H22 N2 O3, db=99.27, overall=49.64 ]", ""}}, 
   {535.2641, 5.1008615, "Meta"} -> {{55216, 49860, 45329}, {"", ""}}, 
   {904.4772, 5.3270283, "Meta"} -> {{982298, 963451, 809202}, {"", ""}}, 
   {145.0523, 5.4314723, "Meta"} -> {{194690, 209339, 205817}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=84.42, overall=42.21, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {129.0576, 5.434444, "Meta"} -> 
    {{446710, 481405, 469932}, {"", ""}}, {273.0317, 5.4347143, "Meta"} -> 
    {{55508, 37279, 26345}, {"", ""}}, {175.0629, 5.4345837, "Meta"} -> 
    {{614177, 414754, 324042}, {"3-Indoleacetic Acid [ C10 H9 N O2, db=84.76, \
overall=42.38, KEGG ID=C00954, CAS ID=87-51-4 ]", "87-51-4"}}, 
   {163.063, 5.4345, "Meta"} -> {{46964, 43781, 44137}, 
     {"p-Acetaminobenzaldehyde [ C9 H9 N O2, db=64.35, overall=32.17, KEGG \
ID=, CAS ID=122-85-0 ]", "122-85-0"}}, {317.1736, 5.4687505, "Meta"} -> 
    {{1, 1, 1}, {"Leu Trp [ C17 H23 N3 O3, db=81.63, overall=40.81 ]", ""}}, 
   {780.393, 5.47776, "Meta"} -> {{69272, 63859, 59359}, 
     {"25-O-Desacetylrifampin [ C41 H56 N4 O11, db=84.35, overall=42.18, KEGG \
ID=, CAS ID=16783-99-6 ]", "16783-99-6"}}, {506.2009, 5.4841557, "Meta"} -> 
    {{23030, 31005, 30576}, {"", ""}}, {351.1581, 5.5261106, "Meta"} -> 
    {{627390, 555339, 455628}, 
     {"Trp Phe [ C20 H21 N3 O3, db=99.58, overall=49.79 ]", ""}}, 
   {462.2364, 5.543243, "Meta"} -> {{28528, 24382, 15536}, {"", ""}}, 
   {119.0735, 5.541345, "Meta"} -> {{156376, 144484, 1}, {"", ""}}, 
   {312.1467, 5.5432773, "Meta"} -> {{6539060, 6169500, 5403935}, 
     {"Phe Phe [ C18 H20 N2 O3, db=95.14, overall=47.57 ]", ""}}, 
   {112.0524, 5.5669603, "Meta"} -> {{40739, 35475, 26736}, 
     {"3,5-hexadienoic acid [ C6 H8 O2, db=60.24, overall=30.12, Lipid ID=, \
KEGG ID= ]", ""}}, {415.2207, 5.670666, "Meta"} -> 
    {{14261, 18231, 1}, 
     {"Phe Leu His [ C21 H29 N5 O4, db=66.52, overall=33.26 ]", ""}}, 
   {145.0523, 5.7114286, "Meta"} -> {{1, 1, 37822}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=58.30, overall=29.15, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {470.2164, 5.740111, "Meta"} -> 
    {{92794, 99580, 80006}, {"", ""}}, {486.1287, 5.7655144, "Meta"} -> 
    {{91353, 68738, 59187}, {"", ""}}, {814.2692, 5.7653933, "Meta"} -> 
    {{89022, 71698, 62639}, {"", ""}}, {352.0723, 5.766555, "Meta"} -> 
    {{269332, 233845, 210252}, {"Griseofulvin [ C17 H17 Cl O6, db=62.45, \
overall=31.22, KEGG ID=C06686, CAS ID=126-07-8 ]", "126-07-8"}}, 
   {561.114, 5.765363, "Meta"} -> {{87892, 60312, 41009}, {"", ""}}, 
   {367.0347, 5.766611, "Meta"} -> {{354204, 238443, 197394}, 
     {"H 167/87 [ C17 H15 Cl2 N O4, db=30.19, overall=15.10, KEGG ID=, CAS \
ID=91854-01-2 ]", "91854-01-2"}}, {137.0587, 5.7666464, "Meta"} -> 
    {{254417, 230458, 211954}, {"Isoniazid [ C6 H7 N3 O, db=85.82, \
overall=42.91, KEGG ID=C07054, CAS ID=54-85-3 ]", "54-85-3"}}, 
   {680.2204, 5.7653627, "Meta"} -> {{71482, 76836, 65451}, {"", ""}}, 
   {194.0796, 5.7665, "Meta"} -> {{2.28*^7, 1.98*^7, 1.69*^7}, 
     {"D-Glucoside [ C7 H14 O6, db=97.63, overall=48.82, HMP ID=HMDB03570, \
KEGG ID= ]", ""}}, {292.0482, 5.7668047, "Meta"} -> 
    {{122352, 105767, 94661}, {"", ""}}, {427.0664, 5.7660594, "Meta"} -> 
    {{54712, 42514, 38329}, {"", ""}}, {308.021, 5.7663703, "Meta"} -> 
    {{59991, 42209, 1}, {"", ""}}, {336.0987, 5.766, "Meta"} -> 
    {{41693, 40958, 34976}, {"", ""}}, {339.0394, 5.7657404, "Meta"} -> 
    {{43848, 28876, 25104}, {"", ""}}, {276.0943, 5.767443, "Meta"} -> 
    {{254417, 249175, 228731}, 
     {"Glu Glu [ C10 H16 N2 O7, db=91.86, overall=45.93 ]", ""}}, 
   {546.167, 5.766311, "Meta"} -> {{1, 64675, 36833}, {"", ""}}, 
   {82.0146, 5.7676473, "Meta"} -> {{430896, 408430, 1}, {"", ""}}, 
   {450.2112, 6.0146294, "Meta"} -> {{26370, 29534, 26290}, {"", ""}}, 
   {598.3831, 6.149971, "Meta"} -> {{77767, 71944, 43385}, {"", ""}}, 
   {210.1363, 6.1674, "Meta"} -> {{190085, 271215, 185293}, {"", ""}}, 
   {1076.5251, 6.1918607, "Meta"} -> {{564157, 549718, 447712}, {"", ""}}, 
   {285.1937, 6.2077217, "Meta"} -> {{1061078, 216824, 232799}, {"", ""}}, 
   {413.1947, 6.402389, "Meta"} -> {{558200, 527077, 456012}, 
     {"Phe Phe Thr [ C22 H27 N3 O5, db=96.85, overall=48.42 ]", ""}}, 
   {210.1363, 6.4091425, "Meta"} -> {{170536, 142927, 127044}, {"", ""}}, 
   {171.1256, 6.4184237, "Meta"} -> {{343082, 385687, 375160}, 
     {"Gabapentin [ C9 H17 N O2, db=89.41, overall=44.71, KEGG ID=C07018, CAS \
ID=60142-96-3 ]", "60142-96-3"}}, {225.134, 6.4274607, "Meta"} -> 
    {{262985, 218618, 202509}, {"", ""}}, {464.2267, 6.4558063, "Meta"} -> 
    {{30904, 31569, 27157}, {"", ""}}, {636.2752, 6.4700866, "Meta"} -> 
    {{31369, 31731, 30034}, 
     {" [ C34 H40 N2 O10, db=0.00, overall=30.97, mfg=61.94 ]", ""}}, 
   {401.8564, 6.4737997, "Meta"} -> {{95952, 100039, 73049}, {"", ""}}, 
   {1205.5684, 6.4744167, "Meta"} -> {{1413777, 1305586, 1032872}, {"", ""}}, 
   {650.291, 6.4855704, "Meta"} -> {{25182, 30006, 24687}, {"", ""}}, 
   {1072.4163, 6.52011, "Meta"} -> {{61314, 56663, 40633}, {"", ""}}, 
   {1019.5046, 6.519862, "Meta"} -> {{2311358, 2223461, 1912033}, {"", ""}}, 
   {339.8352, 6.519917, "Meta"} -> {{60148, 56500, 1}, {"", ""}}, 
   {370.2202, 6.5523853, "Meta"} -> {{13876, 16079, 16138}, {"", ""}}, 
   {393.1896, 6.6016774, "Meta"} -> {{31493, 29052, 20415}, 
     {"Phe Leu Asp [ C19 H27 N3 O6, db=93.55, overall=46.78 ]", ""}}, 
   {1262.5898, 6.6459446, "Meta"} -> {{703793, 787860, 702922}, {"", ""}}, 
   {748.3746, 6.6664577, "Meta"} -> {{168840, 150649, 148588}, {"", ""}}, 
   {467.5117, 6.6833715, "Meta"} -> {{56741, 44815, 35829}, {"", ""}}, 
   {449.8743, 6.681861, "Meta"} -> {{182765, 180566, 161731}, {"", ""}}, 
   {1349.622, 6.682221, "Meta"} -> {{1419312, 1481096, 1305761}, {"", ""}}, 
   {462.5233, 6.6829696, "Meta"} -> {{88889, 84111, 70113}, {"", ""}}, 
   {467.8464, 6.68125, "Meta"} -> {{45206, 36316, 28609}, {"", ""}}, 
   {457.2013, 6.682588, "Meta"} -> {{29399, 37267, 34658}, {"", ""}}, 
   {1076.5258, 6.7304854, "Meta"} -> {{35435, 31318, 28153}, {"", ""}}, 
   {298.1418, 6.74896, "Meta"} -> {{1, 60874, 1}, {"Idebenone Metabolite \
(Benzenehexanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, \
db=73.54, overall=36.77, KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {1200.5566, 6.7732415, "Meta"} -> {{84606, 80201, 66278}, {"", ""}}, 
   {741.297, 6.7771387, "Meta"} -> {{67258, 81821, 53245}, {"", ""}}, 
   {189.0785, 6.956638, "Meta"} -> {{372950, 304553, 230794}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=94.09, overall=47.05, HMP \
ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {429.2361, 6.977999, "Meta"} -> {{64817, 50769, 37845}, 
     {"Pro Trp Lys [ C22 H31 N5 O4, db=90.19, overall=45.09 ]", ""}}, 
   {260.0935, 7.0326056, "Meta"} -> {{61226, 173607, 158548}, 
     {"Furafylline [ C12 H12 N4 O3, db=57.24, overall=28.62, KEGG ID=, CAS \
ID=80288-49-9 ]", "80288-49-9"}}, {179.1517, 7.0339313, "Meta"} -> 
    {{30909, 134854, 98712}, {"", ""}}, {162.1254, 7.032972, "Meta"} -> 
    {{1178532, 3632612, 3265416}, {"", ""}}, {386.884, 7.089772, "Meta"} -> 
    {{169848, 147079, 69083}, {"", ""}}, {339.9438, 7.090166, "Meta"} -> 
    {{193547, 169155, 99677}, {"", ""}}, {165.9783, 7.0914993, "Meta"} -> 
    {{224325, 235545, 1}, {"", ""}}, {324.978, 7.0900297, "Meta"} -> 
    {{57986, 62925, 33434}, {"", ""}}, {389.8912, 7.089734, "Meta"} -> 
    {{98468, 79910, 22271}, {"", ""}}, {554.8763, 7.0902586, "Meta"} -> 
    {{1, 642958, 1}, {"", ""}}, {590.8546, 7.090121, "Meta"} -> 
    {{237704, 156578, 1}, {"", ""}}, {166.9861, 7.0904727, "Meta"} -> 
    {{5653336, 6681806, 3639110}, {"", ""}}, {280.9265, 7.090501, "Meta"} -> 
    {{193666, 164525, 1}, {"", ""}}, {264.9547, 7.0911846, "Meta"} -> 
    {{34441, 39308, 17146}, {"", ""}}, {395.8936, 7.0915, "Meta"} -> 
    {{79798, 75512, 54933}, {"", ""}}, {431.8628, 7.0915837, "Meta"} -> 
    {{55760, 50385, 29880}, {"", ""}}, {624.9684, 7.1091247, "Meta"} -> 
    {{23582, 22036, 1}, {"", ""}}, {534.1705, 7.1183324, "Meta"} -> 
    {{11270, 1, 1}, {"", ""}}, {354.0646, 7.1213336, "Meta"} -> 
    {{52583, 47676, 44329}, {"", ""}}, {238.0838, 7.121195, "Meta"} -> 
    {{502386, 501509, 446207}, {"Propanoic acid, \
2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- [ C12 H14 O5, db=99.24, \
overall=49.62, KEGG ID=, CAS ID=53564-64-0 ]", "53564-64-0"}}, 
   {278.0763, 7.119251, "Meta"} -> {{294774, 260486, 227923}, {"", ""}}, 
   {351.0169, 7.127134, "Meta"} -> {{40761, 24785, 24385}, {"", ""}}, 
   {1560.7216, 7.157438, "Meta"} -> {{29252, 33150, 24166}, {"", ""}}, 
   {941.4612, 7.1827216, "Meta"} -> {{207031, 189789, 142472}, {"", ""}}, 
   {299.2095, 7.264514, "Meta"} -> {{48959, 40865, 34997}, {"", ""}}, 
   {270.1572, 7.337296, "Meta"} -> {{91849, 95854, 86314}, {"", ""}}, 
   {280.1885, 7.331959, "Meta"} -> {{1, 1, 84770}, {"", ""}}, 
   {361.1425, 7.353097, "Meta"} -> {{1, 25783, 14770}, 
     {"N-Acetylnorfloxacin [ C18 H20 F N3 O4, db=74.33, overall=37.17, KEGG \
ID=, CAS ID=74011-56-6 ]", "74011-56-6"}}, {309.194, 7.3625283, "Meta"} -> 
    {{370919, 146782, 139550}, {"Nadolol [ C17 H27 N O4, db=98.01, \
overall=49.00, KEGG ID=C07249, CAS ID=42200-33-9 ]", "42200-33-9"}}, 
   {920.4221, 7.436666, "Meta"} -> {{95670, 82480, 84856}, {"", ""}}, 
   {287.2094, 7.4803905, "Meta"} -> {{215679, 60547, 57306}, 
     {"O-octanoyl-R-carnitine [ C15 H29 N O4, db=84.96, overall=42.48, Lipid \
ID=, KEGG ID=C02838 ]", ""}}, {206.1518, 7.485084, "Meta"} -> 
    {{1, 48861, 75135}, {"", ""}}, {174.0887, 7.533999, "Meta"} -> 
    {{367691, 828523, 748143}, {"2-Propylglutaric acid [ C8 H14 O4, db=96.02, \
overall=48.01, KEGG ID=, CAS ID=32806-62-5 ]", "32806-62-5"}}, 
   {142.0625, 7.5357056, "Meta"} -> {{80165, 225577, 201628}, 
     {"7-hydroxy-5-heptynoic acid [ C7 H10 O3, db=91.50, overall=45.75, Lipid \
ID=, KEGG ID= ]", ""}}, {833.3582, 7.620576, "Meta"} -> 
    {{536343, 541332, 450338}, {"", ""}}, {182.0914, 7.628904, "Meta"} -> 
    {{117260, 93123, 89641}, {"Dacarbazine [ C6 H10 N6 O, db=63.87, \
overall=31.94, KEGG ID=C06936, CAS ID=4342-03-4 ]", "3/4/42"}}, 
   {1389.6527, 7.619026, "Meta"} -> {{109334, 198088, 170238}, {"", ""}}, 
   {170.1415, 7.7676864, "Meta"} -> {{90181, 86279, 90554}, {"", ""}}, 
   {1193.519, 7.7542224, "Meta"} -> {{81532, 178975, 146698}, {"", ""}}, 
   {318.1216, 7.8365397, "Meta"} -> {{1, 13496, 15041}, 
     {"Fluvoxamine acid [ C14 H17 F3 N2 O3, db=57.11, overall=28.55, KEGG \
ID=, CAS ID=84692-89-7 ]", "84692-89-7"}}, {432.8377, 7.851473, "Meta"} -> 
    {{41622, 38931, 30326}, {"", ""}}, {433.1729, 7.8523235, "Meta"} -> 
    {{27009, 26165, 21583}, {"", ""}}, {1245.5992, 7.851389, "Meta"} -> 
    {{1887887, 2247776, 1996185}, {"", ""}}, {415.2002, 7.8513994, "Meta"} -> 
    {{1, 193476, 167740}, {"", ""}}, {428.1836, 7.8517575, "Meta"} -> 
    {{38090, 50257, 47640}, 
     {"Ser Trp His [ C20 H24 N6 O5, db=49.60, overall=24.80 ]", ""}}, 
   {1298.5118, 7.8517423, "Meta"} -> {{60180, 73102, 56587}, {"", ""}}, 
   {863.401, 7.871555, "Meta"} -> {{252301, 254940, 291173}, {"", ""}}, 
   {916.3146, 7.8727407, "Meta"} -> {{31955, 23517, 19802}, {"", ""}}, 
   {189.0785, 7.8873053, "Meta"} -> {{103896, 79923, 68443}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=68.09, overall=34.05, HMP \
ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {185.1414, 7.8914566, "Meta"} -> {{202894, 181951, 197831}, 
     {"N-methyl-Gabapentin [ C10 H19 N O2, db=74.42, overall=37.21, KEGG ID=, \
CAS ID=102937-74-6 ]", "102937-74-6"}}, {208.0732, 8.064808, "Meta"} -> 
    {{48514, 53144, 31341}, {"2,5-Dimethoxycinnamic acid [ C11 H12 O4, \
db=79.88, overall=39.94, HMP ID=HMDB02370, KEGG ID= ]", ""}}, 
   {318.1217, 8.112399, "Meta"} -> {{1, 22343, 29909}, 
     {"Fluvoxamine acid [ C14 H17 F3 N2 O3, db=51.04, overall=25.52, KEGG \
ID=, CAS ID=84692-89-7 ]", "84692-89-7"}}, {186.1189, 8.142306, "Meta"} -> 
    {{358846, 442328, 168663}, {"", ""}}, {415.3079, 8.180323, "Meta"} -> 
    {{28285, 26134, 24110}, {"", ""}}, {301.2252, 8.18464, "Meta"} -> 
    {{152557, 131226, 121507}, {"", ""}}, {210.0888, 8.229969, "Meta"} -> 
    {{75801, 63016, 47023}, {"Methoxyhydroxymethylhydrocinnamic acid [ C11 \
H14 O4, db=76.31, overall=38.15, KEGG ID=, CAS ID=53832-93-2 ]", 
      "53832-93-2"}}, {619.2852, 8.249543, "Meta"} -> 
    {{1, 35484, 28990}, 
     {" [ C34 H41 N3 O8, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {301.2252, 8.364499, "Meta"} -> {{52267, 52179, 38166}, {"", ""}}, 
   {224.1042, 8.49708, "Meta"} -> {{74063, 1, 47748}, {"", ""}}, 
   {222.0865, 8.595155, "Meta"} -> {{120937, 102739, 93081}, {"", ""}}, 
   {538.2428, 8.63658, "Meta"} -> {{10931, 1, 1}, {"", ""}}, 
   {289.1346, 8.648037, "Meta"} -> {{1, 47308, 64410}, {"", ""}}, 
   {332.1369, 8.648942, "Meta"} -> {{1, 259460, 197391}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=83.61, \
overall=41.80, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {247.1604, 8.659072, "Meta"} -> {{112578, 100666, 87451}, {"", ""}}, 
   {1395.5562, 8.677833, "Meta"} -> {{1569901, 2592911, 1999961}, {"", ""}}, 
   {1237.4865, 8.679944, "Meta"} -> {{542205, 668379, 575308}, {"", ""}}, 
   {1290.4019, 8.679688, "Meta"} -> {{65516, 47029, 37001}, {"", ""}}, 
   {1059.5352, 8.717444, "Meta"} -> {{162671, 123714, 117762}, {"", ""}}, 
   {201.1364, 8.713065, "Meta"} -> {{83942, 98553, 73197}, 
     {"Capryloylglycine [ C10 H19 N O3, db=67.21, overall=33.61, HMP \
ID=HMDB00832, KEGG ID= ]", ""}}, {302.1881, 8.721181, "Meta"} -> 
    {{60987, 53839, 48789}, {"2-Methoxyestradiol [ C19 H26 O3, db=78.62, \
overall=39.31, HMP ID=HMDB00405, KEGG ID= ]", ""}}, 
   {496.2306, 8.726456, "Meta"} -> {{90146, 82554, 67890}, {"", ""}}, 
   {594.2002, 8.727458, "Meta"} -> {{19597, 16803, 16102}, {"", ""}}, 
   {332.1369, 8.780612, "Meta"} -> {{101971, 890878, 775561}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=85.03, \
overall=42.52, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {430.1107, 8.796733, "Meta"} -> {{1, 46536, 42673}, {"", ""}}, 
   {300.1108, 8.80197, "Meta"} -> {{1, 194876, 173517}, {"", ""}}, 
   {313.2252, 8.7906, "Meta"} -> {{187792, 73215, 79198}, {"", ""}}, 
   {286.2617, 8.82916, "Meta"} -> {{44390, 43673, 1}, {"", ""}}, 
   {346.1526, 8.849605, "Meta"} -> {{1, 54319, 50816}, {"", ""}}, 
   {215.1519, 8.867749, "Meta"} -> {{126992, 122339, 100167}, {"", ""}}, 
   {224.1021, 8.969444, "Meta"} -> {{48162, 39824, 39035}, {"", ""}}, 
   {223.1208, 8.969972, "Meta"} -> {{68200, 58482, 57193}, 
     {"Rimiterol [ C12 H17 N O3, db=47.61, overall=23.81, KEGG ID=, CAS \
ID=32953-89-2 ]", "32953-89-2"}}, {196.1092, 8.977416, "Meta"} -> 
    {{47465, 37539, 1}, {"Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- [ C11 \
H16 O3, db=59.23, overall=29.61, KEGG ID=, CAS ID=64111-04-2 ]", 
      "64111-04-2"}}, {253.165, 9.127285, "Meta"} -> 
    {{247123, 199370, 228932}, {"", ""}}, {199.157, 9.126751, "Meta"} -> 
    {{595047, 536614, 582592}, {"", ""}}, {1089.4962, 9.145666, "Meta"} -> 
    {{143532, 225300, 162137}, {"", ""}}, {346.1526, 9.17123, "Meta"} -> 
    {{1, 29784, 32335}, {"", ""}}, {181.1102, 9.210125, "Meta"} -> 
    {{87725, 1, 81648}, {"2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- \
Metabolite [ C10 H15 N O2, db=76.98, overall=38.49, KEGG ID=, CAS ID= ]", 
      ""}}, {382.2563, 9.247962, "Meta"} -> {{197450, 167533, 151974}, 
     {"C17 Sphingosine-1-phosphate [ C17 H39 N2 O5 P, db=59.88, \
overall=29.94, Lipid ID=LMSP01040004, KEGG ID= ]", ""}}, 
   {592.3259, 9.304143, "Meta"} -> {{46936, 31814, 30188}, {"", ""}}, 
   {298.1321, 9.309667, "Meta"} -> {{1, 43954, 36527}, {"", ""}}, 
   {411.1791, 9.316696, "Meta"} -> {{1, 36626, 34648}, 
     {"Tyr Val Met [ C19 H29 N3 O5 S, db=58.11, overall=29.06 ]", ""}}, 
   {332.1369, 9.345439, "Meta"} -> {{1, 31987, 48069}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=61.66, \
overall=30.83, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {189.1184, 9.360473, "Meta"} -> {{349502, 126344, 269522}, {"", ""}}, 
   {211.1571, 9.3698, "Meta"} -> {{61624, 51942, 52693}, {"", ""}}, 
   {196.1076, 9.373194, "Meta"} -> {{117262, 102554, 76416}, {"", ""}}, 
   {343.2259, 9.375806, "Meta"} -> {{28809, 17729, 26296}, 
     {"dibucaine [ C20 H29 N3 O2, db=78.46, overall=39.23, KEGG ID=, CAS \
ID=85-79-0 ]", "85-79-0"}}, {594.3415, 9.429972, "Meta"} -> 
    {{130100, 102390, 108825}, {"L-Urobilin [ C33 H46 N4 O6, db=97.19, \
overall=48.59, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {202.1203, 9.477693, "Meta"} -> {{60003, 71807, 73306}, 
     {"sebacic acid [ C10 H18 O4, db=70.07, overall=35.04, KEGG ID=C08277, \
CAS ID=111-20-6 ]", "111-20-6"}}, {254.1153, 9.500695, "Meta"} -> 
    {{114861, 102996, 88977}, {"methyl \
4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ C13 H18 O5, \
db=77.56, overall=38.78, Lipid ID=, KEGG ID= ]", ""}}, 
   {640.2432, 9.499125, "Meta"} -> {{20407, 19001, 14994}, 
     {"5-Methyltetrahydropteroyltri-L-glutamate [ C25 H36 N8 O12, db=61.28, \
overall=30.64, KEGG ID=C04489, CAS ID= ]", ""}}, 
   {564.2544, 9.498889, "Meta"} -> {{71466, 61021, 48050}, {"", ""}}, 
   {330.2192, 9.5008, "Meta"} -> {{39531, 44717, 1}, 
     {"Gestodene metabolite 2 [ C21 H30 O3, db=68.18, overall=34.09, KEGG \
ID=, CAS ID= ]", ""}}, {262.12, 9.519543, "Meta"} -> 
    {{92745, 82634, 84002}, {"Artemisin [ C15 H18 O4, db=68.17, \
overall=34.08, Lipid ID=LMPR01030020, KEGG ID=C09344 ]", ""}}, 
   {264.1357, 9.516806, "Meta"} -> {{306018, 243757, 201841}, {"", ""}}, 
   {327.2406, 9.530406, "Meta"} -> {{369688, 49018, 53557}, {"", ""}}, 
   {463.184, 9.53997, "Meta"} -> {{128571, 105738, 89882}, 
     {"Ritodrine glucuronide [ C23 H29 N O9, db=95.20, overall=47.60, KEGG \
ID=, CAS ID=129464-58-0 ]", "129464-58-0"}}, {273.1762, 9.569387, "Meta"} -> 
    {{97135, 98364, 82808}, {"", ""}}, {327.2405, 9.610461, "Meta"} -> 
    {{1, 81865, 64317}, {"", ""}}, {273.1762, 9.6855, "Meta"} -> 
    {{123560, 97316, 92402}, {"", ""}}, {360.1935, 9.683611, "Meta"} -> 
    {{102597, 82888, 67881}, {"Aldosterone [ C21 H28 O5, db=80.00, \
overall=40.00, KEGG ID=, CAS ID=52-39-1 ]", "52-39-1"}}, 
   {238.1201, 9.702206, "Meta"} -> {{174097, 265397, 118541}, {"", ""}}, 
   {520.202, 9.758688, "Meta"} -> {{27783, 21281, 16351}, {"", ""}}, 
   {422.2412, 9.75828, "Meta"} -> {{244219, 201397, 168486}, {"", ""}}, 
   {362.2091, 9.759223, "Meta"} -> {{632641, 523937, 422699}, 
     {"20alpha-Dihydroprednisolone [ C21 H30 O5, db=80.45, overall=40.22, \
KEGG ID=, CAS ID=15847-24-2 ]", "15847-24-2"}}, 
   {346.214, 9.791315, "Meta"} -> {{34425, 29927, 28932}, 
     {"Corticosterone [ C21 H30 O4, db=61.19, overall=30.59, HMP \
ID=HMDB01547, KEGG ID= ]", ""}}, {638.2274, 9.789353, "Meta"} -> 
    {{22084, 25123, 13790}, {"", ""}}, {346.1525, 9.793889, "Meta"} -> 
    {{18510, 202595, 192227}, {"", ""}}, {562.2387, 9.788788, "Meta"} -> 
    {{59068, 65186, 44172}, {"", ""}}, {557.2833, 9.790912, "Meta"} -> 
    {{18684, 20572, 18103}, {"", ""}}, {510.2462, 9.815877, "Meta"} -> 
    {{39358, 33878, 30693}, {"", ""}}, {229.1674, 9.85191, "Meta"} -> 
    {{50088, 46358, 52027}, {"", ""}}, {548.2599, 9.858362, "Meta"} -> 
    {{26667, 21837, 19748}, {"", ""}}, {504.2344, 9.858466, "Meta"} -> 
    {{29953, 24112, 19060}, {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 \
O9, db=72.48, overall=36.24, KEGG ID=, CAS ID= ]", ""}}, 
   {470.3088, 9.879321, "Meta"} -> {{153775, 133357, 112820}, {"", ""}}, 
   {550.2021, 9.877315, "Meta"} -> {{26671, 23668, 19891}, {"", ""}}, 
   {346.1525, 9.904173, "Meta"} -> {{21303, 150468, 148310}, {"", ""}}, 
   {238.0238, 9.941334, "Meta"} -> {{118749, 80805, 54776}, {"", ""}}, 
   {396.272, 9.949917, "Meta"} -> {{116088, 114637, 105429}, {"", ""}}, 
   {352.1786, 9.951111, "Meta"} -> {{62813, 64317, 65798}, {"", ""}}, 
   {244.0709, 9.960057, "Meta"} -> {{65165, 58021, 56195}, 
     {"Uridine [ C9 H12 N2 O6, db=67.18, overall=33.59, KEGG ID=C00299, CAS \
ID=58-96-8 ]", "58-96-8"}}, {238.1185, 9.979892, "Meta"} -> 
    {{37783, 31704, 26479}, {"", ""}}, {330.1981, 9.977964, "Meta"} -> 
    {{70703, 59982, 54066}, 
     {"Val Arg Gly [ C13 H26 N6 O4, db=57.73, overall=28.86 ]", ""}}, 
   {284.0936, 9.975928, "Meta"} -> {{45410, 31387, 29308}, {"", ""}}, 
   {463.2106, 10.027572, "Meta"} -> {{17601, 1, 1}, {"", ""}}, 
   {314.1266, 10.0307455, "Meta"} -> {{19411, 157664, 161013}, {"", ""}}, 
   {314.2933, 10.043069, "Meta"} -> {{52137, 42693, 46205}, {"", ""}}, 
   {285.1574, 10.05632, "Meta"} -> {{1, 18692, 1}, {"6,7-Dimethyltetrahydropt\
erin [ C15 H19 N5 O, db=55.04, overall=27.52, HMP ID=HMDB02397, KEGG ID= ]", 
      ""}}, {300.1323, 10.061844, "Meta"} -> {{41012, 1, 1}, 
     {"8-Hydroxypromazine [ C17 H20 N2 O S, db=45.98, overall=22.99, KEGG \
ID=, CAS ID=130349-17-6 ]", "130349-17-6"}}, {356.0424, 10.055119, "Meta"} -> 
    {{70418, 49300, 35568}, {"", ""}}, {758.2462, 10.054517, "Meta"} -> 
    {{1, 42923, 1}, {"", ""}}, {524.1633, 10.055028, "Meta"} -> 
    {{24216, 25381, 17842}, {"", ""}}, {338.0701, 10.055571, "Meta"} -> 
    {{260335, 217340, 196288}, 
     {"Asn Cys Cys [ C10 H18 N4 O5 S2, db=69.48, overall=34.74 ]", ""}}, 
   {240.0997, 10.05514, "Meta"} -> {{2729874, 2295734, 1953185}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=99.31, overall=49.66, KEGG ID=, CAS ID=56392-15-5 ]", "56392-15-5"}}, 
   {180.0783, 10.055166, "Meta"} -> {{296877, 280178, 268765}, 
     {"o-Methoxyhydrocinnamic acid [ C10 H12 O3, db=99.04, overall=49.52, \
KEGG ID=, CAS ID= ]", ""}}, {222.0891, 10.055057, "Meta"} -> 
    {{1534279, 1462434, 1323668}, {"2E,4E,8E,10E-Dodecatetraenedioic acid [ \
C12 H14 O4, db=99.63, overall=49.81, Lipid ID=, KEGG ID= ]", ""}}, 
   {773.212, 10.0548, "Meta"} -> {{15244, 1, 1}, {"", ""}}, 
   {428.1355, 10.05561, "Meta"} -> {{36838, 35856, 22874}, {"", ""}}, 
   {284.0629, 10.055297, "Meta"} -> {{1, 12805, 1}, {"", ""}}, 
   {370.0939, 10.056542, "Meta"} -> {{1, 23806, 18174}, {"", ""}}, 
   {518.1473, 10.055831, "Meta"} -> {{82684, 60423, 48995}, {"", ""}}, 
   {353.0342, 10.055324, "Meta"} -> {{137669, 95657, 78705}, {"", ""}}, 
   {413.0684, 10.055799, "Meta"} -> {{69013, 63635, 47947}, {"", ""}}, 
   {254.1151, 10.055778, "Meta"} -> {{82463, 83095, 78421}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=92.65, overall=46.32, Lipid ID=, KEGG ID= ]", ""}}, 
   {382.1291, 10.055561, "Meta"} -> {{22756, 28321, 23895}, 
     {"Asn Phe Cys [ C16 H22 N4 O5 S, db=52.83, overall=26.41 ]", ""}}, 
   {270.1108, 10.057515, "Meta"} -> {{125450, 129511, 119553}, 
     {"Idebenone Metabolite (Benzenebutanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C13 H18 O6, db=87.10, overall=43.55, \
KEGG ID=, CAS ID=95233-52-6 ]", "95233-52-6"}}, 
   {238.0837, 10.05803, "Meta"} -> {{35640, 37585, 42162}, 
     {"Propanoic acid, 2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- [ C12 H14 O5, \
db=79.56, overall=39.78, KEGG ID=, CAS ID=53564-64-0 ]", "53564-64-0"}}, 
   {329.2564, 10.071557, "Meta"} -> {{132807, 109797, 87829}, {"", ""}}, 
   {298.1417, 10.074715, "Meta"} -> {{114003, 174428, 55011}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=61.89, overall=30.94, \
KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {267.1807, 10.080885, "Meta"} -> {{70234, 56299, 56898}, 
     {"Metoprolol [ C15 H25 N O3, db=55.81, overall=27.91, KEGG ID=C07202, \
CAS ID=51384-51-1 ]", "51384-51-1"}}, {213.1727, 10.082888, "Meta"} -> 
    {{147968, 148483, 150740}, {"", ""}}, {280.1306, 10.084135, "Meta"} -> 
    {{45676, 41750, 39788}, {"Betaxolol(deaminated) [ C15 H20 O5, db=67.92, \
overall=33.96, KEGG ID=, CAS ID=87549-34-6 ]", "87549-34-6"}}, 
   {324.0999, 10.10015, "Meta"} -> {{82590, 137614, 76571}, 
     {"7-Hydroxywarfarin [ C19 H16 O5, db=62.79, overall=31.40, KEGG ID=, CAS \
ID=17834-03-6 ]", "17834-03-6"}}, {542.2723, 10.113879, "Meta"} -> 
    {{14838, 13126, 1}, {"", ""}}, {226.1503, 10.1374, "Meta"} -> 
    {{61236, 85115, 31072}, {"", ""}}, {564.2545, 10.16625, "Meta"} -> 
    {{21268, 31643, 24824}, {"", ""}}, {157.1461, 10.186832, "Meta"} -> 
    {{334291, 231105, 280863}, {"", ""}}, {776.6856, 10.190693, "Meta"} -> 
    {{128929, 114515, 84699}, {"Thyroxine [ C15 H11 I4 N O4, db=98.31, \
overall=49.15, KEGG ID=C08212, CAS ID=51-48-9 ]", "51-48-9"}}, 
   {275.1915, 10.220444, "Meta"} -> {{279543, 269738, 222603}, {"", ""}}, 
   {258.165, 10.220358, "Meta"} -> {{28003, 1, 28328}, {"", ""}}, 
   {250.1179, 10.22413, "Meta"} -> {{1, 39787, 31673}, {"", ""}}, 
   {210.123, 10.228934, "Meta"} -> {{1, 139639, 105592}, {"", ""}}, 
   {346.1381, 10.229135, "Meta"} -> {{33273, 30896, 28585}, {"", ""}}, 
   {286.1097, 10.229067, "Meta"} -> {{26549, 29609, 22794}, 
     {"His Met [ C11 H18 N4 O3 S, db=62.46, overall=31.23 ]", ""}}, 
   {438.1865, 10.251937, "Meta"} -> {{33181, 23283, 22337}, 
     {"Phe Ser Trp [ C23 H26 N4 O5, db=47.42, overall=23.71 ]", ""}}, 
   {254.1509, 10.254307, "Meta"} -> {{30282, 1, 35899}, {"", ""}}, 
   {222.1614, 10.2523, "Meta"} -> {{42345, 36531, 29955}, {"", ""}}, 
   {272.162, 10.262467, "Meta"} -> {{134774, 109844, 89750}, {"", ""}}, 
   {324.0948, 10.281, "Meta"} -> {{44654, 41232, 35430}, {"", ""}}, 
   {166.0989, 10.282687, "Meta"} -> {{49305, 63426, 46842}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=46.36, overall=23.18, Lipid \
ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, {615.2453, 10.311601, "Meta"} -> 
    {{71876, 42566, 1}, {"", ""}}, {582.2476, 10.3178005, "Meta"} -> 
    {{576057, 361478, 28697}, {"Biliverdin IX [ C33 H34 N4 O6, db=70.82, \
overall=35.41, HMP ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", 
      " 114-25-0"}}, {612.2579, 10.319498, "Meta"} -> 
    {{108028, 66879, 49514}, {"", ""}}, {598.2435, 10.3203745, "Meta"} -> 
    {{1, 47301, 29273}, {"", ""}}, {580.2318, 10.321624, "Meta"} -> 
    {{168043, 94599, 371606}, {"", ""}}, {302.1078, 10.325857, "Meta"} -> 
    {{43661, 43508, 35118}, {"", ""}}, {299.1918, 10.32961, "Meta"} -> 
    {{336278, 320073, 266754}, {"", ""}}, {144.1147, 10.324371, "Meta"} -> 
    {{64798, 65728, 52814}, {"\207-ethyl caproic acid [ C8 H16 O2, db=81.51, \
overall=40.75, KEGG ID=, CAS ID= ]", ""}}, {489.1998, 10.348856, "Meta"} -> 
    {{67467, 50446, 43607}, {"Terbinafine metabolite glucuronide [ C25 H31 N \
O9, db=76.80, overall=38.40, KEGG ID=, CAS ID= ]", ""}}, 
   {264.0959, 10.353962, "Meta"} -> {{1, 45697, 1}, {"", ""}}, 
   {319.0784, 10.364562, "Meta"} -> {{46689, 30728, 57480}, {"", ""}}, 
   {453.2262, 10.414259, "Meta"} -> {{79569, 62023, 55625}, {"", ""}}, 
   {252.134, 10.437142, "Meta"} -> {{88195, 80556, 44799}, {"", ""}}, 
   {343.2186, 10.472101, "Meta"} -> {{41834, 44205, 38175}, {"", ""}}, 
   {632.2476, 10.46173, "Meta"} -> {{1, 22774, 20714}, {"", ""}}, 
   {314.1266, 10.46791, "Meta"} -> {{20438, 46665, 34912}, {"", ""}}, 
   {245.145, 10.478071, "Meta"} -> {{79978, 65133, 65281}, {"", ""}}, 
   {690.4105, 10.481418, "Meta"} -> {{29192, 24118, 17293}, {"", ""}}, 
   {492.2092, 10.482031, "Meta"} -> {{51827, 48790, 39900}, {"", ""}}, 
   {416.2284, 10.482223, "Meta"} -> {{174314, 164653, 145121}, 
     {"Ramipril [ C23 H32 N2 O5, db=71.08, overall=35.54, KEGG ID=C07232, CAS \
ID=87333-19-5 ]", "87333-19-5"}}, {356.1961, 10.4823885, "Meta"} -> 
    {{274839, 226182, 188240}, {"", ""}}, {316.2036, 10.483486, "Meta"} -> 
    {{95158, 83142, 75777}, {"Acitretin Ro 23-4293 [ C20 H28 O3, db=83.16, \
overall=41.58, KEGG ID=, CAS ID=121693-28-5 ]", "121693-28-5"}}, 
   {319.218, 10.518692, "Meta"} -> {{45450, 41441, 1}, {"", ""}}, 
   {250.118, 10.512572, "Meta"} -> {{65571, 50348, 42947}, {"", ""}}, 
   {205.1132, 10.609686, "Meta"} -> {{136596, 117616, 175247}, {"", ""}}, 
   {218.0879, 10.616875, "Meta"} -> {{117334, 148234, 78772}, {"", ""}}, 
   {254.1511, 10.619676, "Meta"} -> {{59466, 54945, 56435}, {"", ""}}, 
   {243.1831, 10.626083, "Meta"} -> {{291223, 186357, 206475}, {"", ""}}, 
   {225.1725, 10.6266775, "Meta"} -> {{47739, 35799, 33341}, {"", ""}}, 
   {385.2821, 10.648808, "Meta"} -> {{55503, 17420, 1}, {"", ""}}, 
   {602.2044, 10.638667, "Meta"} -> {{15982, 25660, 17061}, {"", ""}}, 
   {545.3771, 10.661119, "Meta"} -> {{1, 89104, 76682}, {"", ""}}, 
   {325.2075, 10.677681, "Meta"} -> {{33918, 36682, 32147}, {"", ""}}, 
   {173.1233, 10.677229, "Meta"} -> {{173581, 137374, 274226}, {"", ""}}, 
   {171.1619, 10.675749, "Meta"} -> {{114818, 103352, 115783}, {"", ""}}, 
   {301.2074, 10.694365, "Meta"} -> {{130455, 117287, 101976}, {"", ""}}, 
   {286.1105, 10.689359, "Meta"} -> {{41785, 42607, 41850}, 
     {"Hydroxymelphalan [ C13 H19 Cl N2 O3, db=66.75, overall=33.38, KEGG \
ID=, CAS ID=61733-01-5 ]", "61733-01-5"}}, {346.1349, 10.691233, "Meta"} -> 
    {{51936, 47814, 41352}, {"", ""}}, {343.2722, 10.704386, "Meta"} -> 
    {{1, 62861, 46470}, {"Dodecanoylcarnitine [ C19 H37 N O4, db=90.71, \
overall=45.36, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {302.1125, 10.712086, "Meta"} -> {{22883, 20789, 25575}, {"", ""}}, 
   {340.1257, 10.728134, "Meta"} -> {{30133, 31061, 23815}, {"", ""}}, 
   {242.1516, 10.728, "Meta"} -> {{261150, 242921, 214034}, {"", ""}}, 
   {400.1631, 10.728265, "Meta"} -> {{36846, 34721, 34746}, 
     {"N-AcetylCilastatin [ C18 H28 N2 O6 S, db=63.48, overall=31.74, KEGG \
ID=, CAS ID=94388-32-6 ]", "94388-32-6"}}, {331.2723, 10.732485, "Meta"} -> 
    {{49255, 44465, 50090}, {"", ""}}, {252.1335, 10.748029, "Meta"} -> 
    {{60588, 51954, 49151}, {"", ""}}, {212.1408, 10.760103, "Meta"} -> 
    {{38986, 43616, 34497}, {"12-oxo-10Z-dodecenoic acid [ C12 H20 O3, \
db=80.89, overall=40.45, Lipid ID=, KEGG ID= ]", ""}}, 
   {239.1884, 10.751323, "Meta"} -> {{52975, 1, 52949}, {"", ""}}, 
   {226.0562, 10.78225, "Meta"} -> {{126225, 79784, 73912}, {"", ""}}, 
   {367.2718, 10.79603, "Meta"} -> {{144065, 28887, 42318}, {"", ""}}, 
   {262.1177, 10.825701, "Meta"} -> {{45567, 42376, 34040}, {"", ""}}, 
   {343.2721, 10.835971, "Meta"} -> {{482978, 119563, 113943}, 
     {"Dodecanoylcarnitine [ C19 H37 N O4, db=97.12, overall=48.56, HMP \
ID=HMDB02250, KEGG ID= ]", ""}}, {227.1882, 10.834806, "Meta"} -> 
    {{544745, 279249, 368181}, {"", ""}}, {281.1964, 10.834471, "Meta"} -> 
    {{267065, 141485, 177268}, {"", ""}}, {589.4036, 10.839125, "Meta"} -> 
    {{75415, 81102, 71115}, {"", ""}}, {316.1647, 10.838167, "Meta"} -> 
    {{31827, 51916, 40602}, {"Gibberellin A9 [ C19 H24 O4, db=60.62, \
overall=30.31, Lipid ID=LMPR01040080, KEGG ID=C11863 ]", ""}}, 
   {594.3588, 10.837862, "Meta"} -> {{1, 116531, 90652}, {"", ""}}, 
   {346.1531, 10.850415, "Meta"} -> {{1, 15479, 21659}, {"", ""}}, 
   {360.1682, 10.850501, "Meta"} -> {{50502, 56283, 35917}, {"", ""}}, 
   {328.142, 10.851166, "Meta"} -> {{93034, 111558, 103293}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=71.54, overall=35.77 ]", ""}}, 
   {298.1327, 10.851243, "Meta"} -> {{36797, 1, 1}, {"", ""}}, 
   {355.272, 10.84606, "Meta"} -> {{397699, 128903, 119811}, {"", ""}}, 
   {383.288, 10.873963, "Meta"} -> {{51008, 55519, 1}, {"", ""}}, 
   {388.2436, 10.871462, "Meta"} -> {{80907, 76974, 71280}, 
     {"Thr Ile Arg [ C16 H32 N6 O5, db=61.43, overall=30.71 ]", ""}}, 
   {284.1808, 10.88514, "Meta"} -> {{79045, 74180, 59444}, {"", ""}}, 
   {301.2077, 10.885583, "Meta"} -> {{2219671, 2033295, 1714700}, {"", ""}}, 
   {276.1936, 10.92211, "Meta"} -> {{160464, 148134, 151716}, {"", ""}}, 
   {342.3243, 10.933499, "Meta"} -> {{40696, 56489, 1}, {"", ""}}, 
   {242.1516, 10.939269, "Meta"} -> {{384586, 352423, 311359}, {"", ""}}, 
   {400.163, 10.940041, "Meta"} -> {{49126, 59819, 45887}, 
     {"N-AcetylCilastatin [ C18 H28 N2 O6 S, db=61.45, overall=30.73, KEGG \
ID=, CAS ID=94388-32-6 ]", "94388-32-6"}}, {287.2463, 10.968501, "Meta"} -> 
    {{96695, 90310, 100420}, {"", ""}}, {498.3417, 10.976148, "Meta"} -> 
    {{51602, 37714, 33670}, {"", ""}}, {381.2882, 10.990801, "Meta"} -> 
    {{23767, 1, 16315}, {"5,6-DiHETrE-EA [ C22 H39 N O4, db=62.62, \
overall=31.31, Lipid ID=LMFA08040029, KEGG ID= ]", ""}}, 
   {431.2308, 10.993176, "Meta"} -> {{14970, 22125, 12070}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=63.44, overall=31.72 ]", ""}}, 
   {414.2039, 10.993806, "Meta"} -> {{105441, 132251, 73968}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=75.35, overall=37.67 ]", ""}}, 
   {616.403, 10.994139, "Meta"} -> {{130727, 110135, 98194}, {"", ""}}, 
   {633.4297, 10.99538, "Meta"} -> {{64044, 69433, 62414}, {"", ""}}, 
   {285.9721, 10.995276, "Meta"} -> {{18495, 101409, 61851}, {"", ""}}, 
   {249.1109, 11.002543, "Meta"} -> {{74007, 47527, 80545}, {"", ""}}, 
   {440.2017, 10.997424, "Meta"} -> {{49212, 47991, 41069}, 
     {"Phe Gln Phe [ C23 H28 N4 O5, db=38.67, overall=19.34 ]", ""}}, 
   {276.1334, 11.004139, "Meta"} -> {{65265, 59760, 49591}, 
     {"Saccharopine [ C11 H20 N2 O6, db=56.45, overall=28.23, KEGG ID=, CAS \
ID=997-68-2 ]", "997-68-2"}}, {465.3087, 11.014788, "Meta"} -> 
    {{51104, 39791, 29128}, {"Cholylglycine [ C26 H43 N O6, db=75.71, \
overall=37.85, KEGG ID=, CAS ID=475-31-0 ]", "475-31-0"}}, 
   {236.1403, 11.007713, "Meta"} -> {{67186, 110228, 122272}, {"", ""}}, 
   {345.2335, 11.036324, "Meta"} -> {{1, 201608, 150759}, {"", ""}}, 
   {410.2874, 11.06508, "Meta"} -> {{1, 74009, 73576}, {"", ""}}, 
   {402.2185, 11.074946, "Meta"} -> {{37343, 38496, 29594}, 
     {"Trandolaprilat [ C22 H30 N2 O5, db=47.66, overall=23.83, KEGG ID=, CAS \
ID=87679-71-8 ]", "87679-71-8"}}, {276.0972, 11.078914, "Meta"} -> 
    {{84245, 88790, 58393}, 
     {"Glu Glu [ C10 H16 N2 O7, db=71.47, overall=35.73 ]", ""}}, 
   {331.2721, 11.109583, "Meta"} -> {{88325, 84932, 89611}, {"", ""}}, 
   {402.1563, 11.114313, "Meta"} -> {{54340, 45661, 47192}, {"", ""}}, 
   {321.215, 11.114806, "Meta"} -> {{516355, 547967, 552106}, {"", ""}}, 
   {304.1884, 11.114723, "Meta"} -> {{1668582, 1575350, 1542914}, {"", ""}}, 
   {224.0838, 11.132531, "Meta"} -> {{43648, 26294, 20963}, {"", ""}}, 
   {278.0912, 11.133195, "Meta"} -> {{41333, 1, 26712}, 
     {"Glu Met [ C10 H18 N2 O5 S, db=50.61, overall=25.31 ]", ""}}, 
   {327.223, 11.149416, "Meta"} -> {{227381, 217170, 175662}, 
     {"Levonorgestrel oxime [ C21 H29 N O2, db=60.97, overall=30.49, KEGG \
ID=, CAS ID=53016-31-2 ]", "53016-31-2"}}, {172.1474, 11.181901, "Meta"} -> 
    {{115319, 134689, 106731}, {"3-methyl-nonanoic acid [ C10 H20 O2, \
db=48.71, overall=24.36, Lipid ID=, KEGG ID= ]", ""}}, 
   {238.1544, 11.197818, "Meta"} -> {{130386, 145045, 159332}, {"", ""}}, 
   {265.0592, 11.2015, "Meta"} -> {{434833, 191224, 190023}, {"", ""}}, 
   {256.1671, 11.202999, "Meta"} -> {{163907, 142436, 118944}, {"", ""}}, 
   {331.272, 11.201206, "Meta"} -> {{68094, 1, 55054}, {"", ""}}, 
   {202.1566, 11.219847, "Meta"} -> {{141313, 144952, 96409}, 
     {"10-hydroxy-undecanoic acid [ C11 H22 O3, db=57.60, overall=28.80, \
Lipid ID=, KEGG ID= ]", ""}}, {357.2877, 11.224555, "Meta"} -> 
    {{285551, 196786, 173375}, {"", ""}}, {287.2463, 11.230424, "Meta"} -> 
    {{32377, 1, 1}, {"", ""}}, {286.196, 11.254839, "Meta"} -> 
    {{34962, 27206, 22101}, {"Androstenedione [ C19 H26 O2, db=51.24, \
overall=25.62, KEGG ID=C00280, CAS ID=63-05-8 ]", "63-05-8"}}, 
   {306.1806, 11.240032, "Meta"} -> {{55863, 61520, 52311}, 
     {"Tetranor Iloprost [ C18 H26 O4, db=57.37, overall=28.69, KEGG ID=, CAS \
ID=93220-69-0 ]", "93220-69-0"}}, {303.223, 11.255501, "Meta"} -> 
    {{519821, 430394, 360941}, {"", ""}}, {288.1332, 11.251001, "Meta"} -> 
    {{46973, 47824, 73616}, {"4-Methylumbelliferyl heptanoate [ C17 H20 O4, \
db=40.76, overall=20.38, KEGG ID=, CAS ID=18319-92-1 ]", "18319-92-1"}}, 
   {248.1406, 11.251324, "Meta"} -> {{25492, 26820, 21173}, 
     {"2,4-Pentadienoic acid, \
3-methyl-5-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)- [ C15 H20 O3, db=58.71, \
overall=29.36, KEGG ID=, CAS ID=126624-24-6 ]", "126624-24-6"}}, 
   {358.2326, 11.257731, "Meta"} -> {{42858, 1, 1}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=70.59, overall=35.30 ]", ""}}, 
   {717.4275, 11.272499, "Meta"} -> {{80218, 67369, 54163}, {"", ""}}, 
   {587.1718, 11.289588, "Meta"} -> {{17917, 19503, 11994}, {"", ""}}, 
   {294.1107, 11.290332, "Meta"} -> {{32489, 27980, 26797}, {"", ""}}, 
   {1280.5605, 11.288729, "Meta"} -> {{14849, 12046, 1}, {"", ""}}, 
   {452.1514, 11.289388, "Meta"} -> {{76247, 66896, 52610}, {"", ""}}, 
   {586.2752, 11.289446, "Meta"} -> {{84003, 120947, 84825}, {"", ""}}, 
   {527.1393, 11.289233, "Meta"} -> {{1, 89197, 67878}, {"", ""}}, 
   {496.1945, 11.289706, "Meta"} -> {{28309, 25049, 22169}, 
     {"Trp Glu Tyr [ C25 H28 N4 O7, db=59.40, overall=29.70 ]", ""}}, 
   {845.4351, 11.289027, "Meta"} -> {{187764, 225843, 151392}, {"", ""}}, 
   {530.1451, 11.290032, "Meta"} -> {{1, 50604, 35659}, 
     {"Ketoconazole [ C26 H28 Cl2 N4 O4, db=59.08, overall=29.54, KEGG \
ID=C07061, CAS ID=65277-42-1 ]", "65277-42-1"}}, 
   {531.2824, 11.290118, "Meta"} -> {{17149, 23011, 17016}, {"", ""}}, 
   {866.3558, 11.289026, "Meta"} -> {{63537, 60403, 41179}, {"", ""}}, 
   {876.3872, 11.289584, "Meta"} -> {{33668, 39153, 24447}, {"", ""}}, 
   {608.2851, 11.289752, "Meta"} -> {{21141, 21683, 14259}, 
     {" [ C34 H42 N O9, db=0.00, overall=41.18, mfg=82.37 ]", ""}}, 
   {445.2463, 11.290056, "Meta"} -> {{101800, 108639, 90239}, {"", ""}}, 
   {534.248, 11.289888, "Meta"} -> {{822652, 886160, 811301}, {"", ""}}, 
   {512.1748, 11.289804, "Meta"} -> {{187911, 226095, 185084}, {"", ""}}, 
   {485.2606, 11.290346, "Meta"} -> {{51165, 31068, 1}, {"", ""}}, 
   {414.2037, 11.289584, "Meta"} -> {{1.*^7, 1.02*^7, 8053825}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=82.04, overall=41.02 ]", ""}}, 
   {280.131, 11.2896385, "Meta"} -> {{71583, 86872, 71273}, 
     {"Betaxolol(deaminated) [ C15 H20 O5, db=93.07, overall=46.54, KEGG ID=, \
CAS ID=87549-34-6 ]", "87549-34-6"}}, {431.2309, 11.289611, "Meta"} -> 
    {{3033879, 3278240, 2718604}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=83.76, overall=41.88 ]", ""}}, 
   {487.292, 11.2910595, "Meta"} -> {{38403, 31854, 20585}, {"", ""}}, 
   {544.1991, 11.289091, "Meta"} -> {{15300, 18077, 17306}, {"", ""}}, 
   {471.2445, 11.291112, "Meta"} -> {{1, 28712, 25362}, {"", ""}}, 
   {459.2618, 11.289667, "Meta"} -> {{298035, 380180, 304577}, 
     {"Arg Val Trp [ C22 H33 N7 O4, db=83.80, overall=41.90 ]", ""}}, 
   {457.2271, 11.291111, "Meta"} -> {{103468, 86982, 75605}, {"", ""}}, 
   {493.246, 11.289943, "Meta"} -> {{26325, 24984, 22111}, 
     {"Epothilone A [ C26 H39 N O6 S, db=62.97, overall=31.48, Lipid \
ID=LMPK01000045, KEGG ID=C12153 ]", ""}}, {560.2447, 11.289834, "Meta"} -> 
    {{31930, 35460, 32369}, {"Chloramphenicol palmitate [ C27 H42 Cl2 N2 O6, \
db=50.93, overall=25.46, KEGG ID=C11726, CAS ID=530-43-8 ]", "530-43-8"}}, 
   {473.2773, 11.28986, "Meta"} -> {{55961, 96269, 89519}, 
     {"Leu Trp Arg [ C23 H35 N7 O4, db=65.72, overall=32.86 ]", ""}}, 
   {480.1932, 11.290501, "Meta"} -> {{60333, 48138, 39370}, {"", ""}}, 
   {440.2009, 11.290919, "Meta"} -> {{188335, 157762, 126135}, 
     {"punaglandin 8 [ C23 H33 Cl O6, db=31.94, overall=15.97, Lipid \
ID=LMFA03120045, KEGG ID= ]", ""}}, {749.4477, 11.296001, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {455.3245, 11.3231, "Meta"} -> 
    {{146907, 45943, 42879}, {"", ""}}, {369.2876, 11.339501, "Meta"} -> 
    {{492350, 102466, 102254}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, \
db=97.62, overall=48.81, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {226.1929, 11.347332, "Meta"} -> {{137030, 135327, 140415}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=85.58, overall=42.79, \
KEGG ID=, CAS ID= ]", ""}}, {336.1572, 11.353258, "Meta"} -> 
    {{390575, 558629, 326068}, {"", ""}}, {243.2196, 11.351666, "Meta"} -> 
    {{40978, 40142, 45341}, {"2-amino-tetradecanoic acid [ C14 H29 N O2, \
db=77.47, overall=38.74, Lipid ID=, KEGG ID= ]", ""}}, 
   {256.1672, 11.371285, "Meta"} -> {{233006, 176328, 152781}, {"", ""}}, 
   {285.1361, 11.375806, "Meta"} -> {{86434, 392487, 344541}, 
     {"Morphine [ C17 H19 N O3, db=95.72, overall=47.86, KEGG ID=C01516, CAS \
ID=57-27-2 ]", "57-27-2"}}, {282.1465, 11.395613, "Meta"} -> 
    {{137416, 125943, 105640}, {"Artemisinin [ C15 H22 O5, db=88.47, \
overall=44.23, KEGG ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {208.1094, 11.39564, "Meta"} -> {{204510, 217084, 190673}, 
     {"1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo- [ C12 H16 O3, \
db=81.98, overall=40.99, KEGG ID=, CAS ID=28043-09-6 ]", "28043-09-6"}}, 
   {250.1206, 11.395556, "Meta"} -> {{1548468, 1426277, 1292817}, 
     {"Ubiquinone [ C14 H18 O4, db=99.59, overall=49.80, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {366.1019, 11.395695, "Meta"} -> 
    {{239738, 194767, 177424}, 
     {"Cys Asn Met [ C12 H22 N4 O5 S2, db=72.32, overall=36.16 ]", ""}}, 
   {381.0665, 11.395805, "Meta"} -> {{104362, 69144, 52289}, {"", ""}}, 
   {268.131, 11.395668, "Meta"} -> {{2849064, 2505858, 2224529}, {"", ""}}, 
   {842.34, 11.395239, "Meta"} -> {{1, 30967, 22952}, {"", ""}}, 
   {589.1759, 11.39528, "Meta"} -> {{22497, 13145, 11580}, {"", ""}}, 
   {384.0751, 11.395806, "Meta"} -> {{73650, 53702, 39131}, {"", ""}}, 
   {649.2068, 11.395183, "Meta"} -> {{31991, 25784, 23052}, {"", ""}}, 
   {504.2696, 11.396668, "Meta"} -> {{113430, 80072, 66354}, {"", ""}}, 
   {312.0943, 11.396322, "Meta"} -> {{1, 21481, 24724}, {"", ""}}, 
   {575.2477, 11.396999, "Meta"} -> {{28475, 21341, 16062}, {"", ""}}, 
   {328.1616, 11.3960285, "Meta"} -> {{93868, 87553, 75700}, 
     {"Methotrimeprazine [ C19 H24 N2 O S, db=76.92, overall=38.46, KEGG \
ID=C07192, CAS ID=60-99-1 ]", "60-99-1"}}, {441.1043, 11.396527, "Meta"} -> 
    {{63786, 56966, 48337}, {"", ""}}, {398.1249, 11.39558, "Meta"} -> 
    {{23754, 22503, 20911}, 
     {"Cys Tyr Asn [ C16 H22 N4 O6 S, db=64.30, overall=32.15 ]", ""}}, 
   {410.1626, 11.397676, "Meta"} -> {{40904, 38541, 36904}, 
     {"Phe Asn Met [ C18 H26 N4 O5 S, db=72.68, overall=36.34 ]", ""}}, 
   {426.1383, 11.396766, "Meta"} -> {{145774, 160938, 157412}, 
     {"Mometasone [ C22 H28 Cl2 O4, db=54.85, overall=27.42, KEGG ID=C07816, \
CAS ID=105102-22-5 ]", "105102-22-5"}}, {136.1248, 11.399722, "Meta"} -> 
    {{104619, 96083, 82817}, {"(+)-Limonene [ C10 H16, db=85.33, \
overall=42.67, Lipid ID=LMPR01020041, KEGG ID=C06099 ]", ""}}, 
   {266.115, 11.397911, "Meta"} -> {{25869, 36061, 40061}, {"", ""}}, 
   {214.1567, 11.399723, "Meta"} -> {{1592219, 1317451, 1244258}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=86.76, overall=43.38, \
Lipid ID=, KEGG ID= ]", ""}}, {274.189, 11.399056, "Meta"} -> 
    {{153550, 172842, 159427}, {"", ""}}, {312.1249, 11.399559, "Meta"} -> 
    {{60551, 50425, 30520}, {"", ""}}, {154.1354, 11.39986, "Meta"} -> 
    {{183633, 179057, 144930}, {"Linalool [ C10 H18 O, db=84.18, \
overall=42.09, Lipid ID=LMPR01020038, KEGG ID=C03985 ]", ""}}, 
   {647.4454, 11.415207, "Meta"} -> {{80505, 85968, 71568}, {"", ""}}, 
   {196.1447, 11.415208, "Meta"} -> {{28056, 16646, 34171}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=61.34, overall=30.67, Lipid ID=, \
KEGG ID= ]", ""}}, {397.3034, 11.419818, "Meta"} -> 
    {{65878, 71597, 60613}, {"", ""}}, {518.121, 11.434154, "Meta"} -> 
    {{25257, 16957, 1}, {"", ""}}, {336.157, 11.451531, "Meta"} -> 
    {{246963, 74849, 222765}, {"", ""}}, {246.1829, 11.451807, "Meta"} -> 
    {{212792, 59482, 70551}, {"", ""}}, {241.2038, 11.455589, "Meta"} -> 
    {{33754, 42976, 55526}, {"", ""}}, {478.2178, 11.45214, "Meta"} -> 
    {{80670, 67454, 55863}, {"Formestane-4-O-glucuronide [ C25 H34 O9, \
db=82.02, overall=41.01, KEGG ID=, CAS ID=102848-54-4 ]", "102848-54-4"}}, 
   {210.1249, 11.457354, "Meta"} -> {{1, 85374, 63081}, 
     {"Jasmonic acid [ C12 H18 O3, db=81.52, overall=40.76, Lipid \
ID=LMFA02020001, KEGG ID= ]", ""}}, {342.2878, 11.461249, "Meta"} -> 
    {{21722, 16804, 1}, {"", ""}}, {367.1506, 11.475408, "Meta"} -> 
    {{48191, 55213, 47030}, 
     {"Asp His Pro [ C15 H21 N5 O6, db=71.89, overall=35.95 ]", ""}}, 
   {285.1362, 11.475694, "Meta"} -> {{647662, 604980, 475111}, 
     {"Morphine [ C17 H19 N O3, db=98.62, overall=49.31, KEGG ID=C01516, CAS \
ID=57-27-2 ]", "57-27-2"}}, {528.1969, 11.478286, "Meta"} -> 
    {{76224, 56275, 51049}, {"", ""}}, {460.2096, 11.476846, "Meta"} -> 
    {{40959, 36265, 31004}, 
     {"Trp Gln Gln [ C21 H28 N6 O6, db=60.46, overall=30.23 ]", ""}}, 
   {311.2457, 11.484715, "Meta"} -> {{118873, 313694, 293721}, {"", ""}}, 
   {347.2489, 11.499638, "Meta"} -> {{67586, 64252, 56268}, {"", ""}}, 
   {356.2318, 11.490559, "Meta"} -> {{22005, 15154, 1}, 
     {"Estradiol valerate [ C23 H32 O3, db=40.90, overall=20.45, Lipid \
ID=LMST02010039, KEGG ID=C12859 ]", ""}}, {344.1596, 11.518447, "Meta"} -> 
    {{360781, 340516, 263235}, {"16-Hydroxy-4-carboxyretinoic acid [ C20 H24 \
O5, db=62.38, overall=31.19, KEGG ID=, CAS ID=99665-36-8 ]", "99665-36-8"}}, 
   {414.204, 11.526778, "Meta"} -> {{15009, 56578, 39400}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=76.96, overall=38.48 ]", ""}}, 
   {413.2931, 11.527801, "Meta"} -> {{47180, 25359, 24498}, {"", ""}}, 
   {449.3137, 11.528334, "Meta"} -> {{78520, 54889, 47647}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=91.01, overall=45.51, HMP \
ID=HMDB00708, KEGG ID= ]", ""}}, {431.3032, 11.527909, "Meta"} -> 
    {{78325, 66598, 61042}, {"", ""}}, {250.1557, 11.546168, "Meta"} -> 
    {{35764, 44863, 22168}, {"Gemfibrozil [ C15 H22 O3, db=55.73, \
overall=27.87, KEGG ID=, CAS ID=25812-30-0 ]", "25812-30-0"}}, 
   {632.2483, 11.548585, "Meta"} -> {{69522, 993450, 1086217}, {"", ""}}, 
   {441.3298, 11.567675, "Meta"} -> {{82092, 84838, 75100}, {"", ""}}, 
   {424.3029, 11.567376, "Meta"} -> {{142199, 145172, 124954}, 
     {"2alpha-Fluoro-19-nor-22-oxa-1alpha,25-dihydroxyvitamin D3 [ C25 H41 F \
O4, db=58.90, overall=29.45, Lipid ID=LMST03020616, KEGG ID= ]", ""}}, 
   {488.2383, 11.5761385, "Meta"} -> {{35620, 28682, 30911}, {"", ""}}, 
   {329.2389, 11.608471, "Meta"} -> {{1482558, 1199011, 991224}, {"", ""}}, 
   {280.165, 11.619699, "Meta"} -> {{122445, 120292, 112043}, {"", ""}}, 
   {386.1862, 11.624001, "Meta"} -> {{21051, 31870, 34587}, {"", ""}}, 
   {386.2455, 11.630222, "Meta"} -> {{209793, 175936, 156178}, 
     {"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid [ C24 H34 O4, \
db=85.79, overall=42.90, Lipid ID=, KEGG ID= ]", ""}}, 
   {598.2424, 11.630831, "Meta"} -> {{25874, 46549, 1}, {"", ""}}, 
   {735.4978, 11.632807, "Meta"} -> {{61890, 66252, 55367}, 
     {"Dipalmitoylphosphatidylserine [ C38 H74 N O10 P, db=54.29, \
overall=27.15, HMP ID=HMDB00614, KEGG ID= ]", ""}}, 
   {370.3555, 11.634998, "Meta"} -> {{28011, 56129, 47459}, {"", ""}}, 
   {468.2595, 11.6322565, "Meta"} -> {{58962, 50630, 47046}, {"", ""}}, 
   {740.4531, 11.631467, "Meta"} -> {{1, 85195, 68668}, {"", ""}}, 
   {477.1897, 11.660638, "Meta"} -> {{62542, 148558, 106327}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=85.23, overall=42.62, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {582.2477, 11.661, "Meta"} -> 
    {{53496, 67510, 54334}, {"Biliverdin IX [ C33 H34 N4 O6, db=87.31, \
overall=43.66, HMP ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", 
      " 114-25-0"}}, {354.2379, 11.661621, "Meta"} -> 
    {{27474, 27426, 31170}, {"13,14-dihydro-15-keto-PGF2alpha [ C20 H34 O5, \
db=42.26, overall=21.13, Lipid ID=LMFA03010027, KEGG ID= ]", ""}}, 
   {520.2644, 11.689971, "Meta"} -> {{62226, 46574, 39025}, 
     {"Medroxyprogesterone glucuronide [ C28 H40 O9, db=48.42, overall=24.21, \
KEGG ID=, CAS ID= ]", ""}}, {485.356, 11.693, "Meta"} -> 
    {{78114, 85801, 68342}, {"", ""}}, {240.1703, 11.670438, "Meta"} -> 
    {{94952, 113405, 73511}, {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic \
acid [ C14 H24 O3, db=65.39, overall=32.69, Lipid ID=, KEGG ID= ]", ""}}, 
   {439.2696, 11.698639, "Meta"} -> {{64286, 1, 1}, 
     {"GPA(17:1(9Z)/0:0) [ C20 H42 N O7 P, db=58.14, overall=29.07, Lipid \
ID=LMGP10050002, KEGG ID= ]", ""}}, {414.2039, 11.722752, "Meta"} -> 
    {{89393, 134324, 83041}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=70.02, overall=35.01 ]", ""}}, 
   {522.2801, 11.738907, "Meta"} -> {{60629, 50981, 46935}, {"", ""}}, 
   {262.1541, 11.742794, "Meta"} -> {{48912, 47396, 42850}, {"", ""}}, 
   {272.2133, 11.744, "Meta"} -> {{70490, 63070, 46199}, {"", ""}}, 
   {588.2251, 11.747442, "Meta"} -> {{29594, 46359, 37974}, {"", ""}}, 
   {528.1907, 11.747131, "Meta"} -> {{27829, 25239, 18718}, {"", ""}}, 
   {371.3033, 11.768027, "Meta"} -> {{352582, 62509, 55604}, {"", ""}}, 
   {590.3101, 11.752577, "Meta"} -> {{1, 36692, 30437}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=61.46, overall=30.73, HMP \
ID=HMDB04158, KEGG ID= ]", ""}}, {417.1435, 11.795814, "Meta"} -> 
    {{24130, 22685, 17441}, {"Mefenamic acid Metabolite (b-D-Glucopyranuronic \
acid, 1-[2-[(2,3-dimethylphenyl)amino]benzoate]) [ C21 H23 N O8, db=50.07, \
overall=25.03, KEGG ID=, CAS ID=102623-18-7 ]", "102623-18-7"}}, 
   {282.1151, 11.797542, "Meta"} -> {{88884, 77330, 62910}, {"", ""}}, 
   {342.145, 11.797485, "Meta"} -> {{69626, 65158, 54914}, {"", ""}}, 
   {184.146, 11.798257, "Meta"} -> {{268119, 239920, 209158}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=82.08, overall=41.04, Lipid ID=, \
KEGG ID= ]", ""}}, {373.2647, 11.811193, "Meta"} -> 
    {{78615, 1, 58422}, {"", ""}}, {299.2823, 11.815419, "Meta"} -> 
    {{68849, 1, 1}, {"3-Dehydrosphinganine [ C18 H37 N O2, db=94.66, \
overall=47.33, KEGG ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {251.2249, 11.800002, "Meta"} -> {{102371, 95726, 93806}, {"", ""}}, 
   {534.3375, 11.806134, "Meta"} -> {{97845, 73374, 70291}, {"", ""}}, 
   {465.3086, 11.805584, "Meta"} -> {{633016, 591454, 504850}, 
     {"Cholylglycine [ C26 H43 N O6, db=97.59, overall=48.80, KEGG ID=, CAS \
ID=475-31-0 ]", "475-31-0"}}, {429.2878, 11.80568, "Meta"} -> 
    {{19961, 1, 21555}, {"", ""}}, {529.3823, 11.806334, "Meta"} -> 
    {{62576, 69114, 60874}, {"", ""}}, {518.2228, 11.805154, "Meta"} -> 
    {{24602, 18576, 12617}, {"26,26,26,27,27,27-hexafluoro-1alpha,25-dihydrox\
y-16,17,23,23,24,24-hexadehydrovitamin D3 / 26,26,26, [ C27 H32 F6 O3, \
db=61.57, overall=30.78, Lipid ID=LMST03020078, KEGG ID= ]", ""}}, 
   {585.3523, 11.805889, "Meta"} -> {{13243, 15988, 1}, {"", ""}}, 
   {521.2284, 11.805668, "Meta"} -> {{27494, 17001, 14013}, {"", ""}}, 
   {414.204, 11.809854, "Meta"} -> {{87103, 137517, 85803}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=78.79, overall=39.40 ]", ""}}, 
   {431.2309, 11.812069, "Meta"} -> {{32645, 42525, 29719}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=56.36, overall=28.18 ]", ""}}, 
   {218.1664, 11.82626, "Meta"} -> {{17470, 1, 1}, {"6,8,10,12-pentadecatetra\
enal [ C15 H22 O, db=57.54, overall=28.77, Lipid ID=, KEGG ID= ]", ""}}, 
   {270.1153, 11.829969, "Meta"} -> {{100683, 84109, 72563}, 
     {"chloroprocaine [ C13 H19 Cl N2 O2, db=55.52, overall=27.76, KEGG ID=, \
CAS ID= ]", ""}}, {330.1401, 11.829573, "Meta"} -> 
    {{111003, 109186, 93847}, {"Desmethyl methotrimeprazine 5-sulfoxide [ C18 \
H22 N2 O2 S, db=85.40, overall=42.70, KEGG ID=, CAS ID=16808-77-8 ]", 
      "16808-77-8"}}, {172.146, 11.8296385, "Meta"} -> 
    {{255689, 240783, 136466}, {"3-methyl-nonanoic acid [ C10 H20 O2, \
db=89.90, overall=44.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {186.1616, 11.829715, "Meta"} -> {{133300, 121291, 99843}, 
     {"Undecylic acid [ C11 H22 O2, db=83.39, overall=41.70, KEGG ID=, CAS \
ID= ]", ""}}, {431.3031, 11.831061, "Meta"} -> {{58293, 50306, 40087}, 
     {"", ""}}, {471.2956, 11.832395, "Meta"} -> {{50803, 45887, 34548}, 
     {"", ""}}, {308.1988, 11.834726, "Meta"} -> {{57435, 36955, 62057}, 
     {"", ""}}, {355.2544, 11.8503895, "Meta"} -> {{387256, 290907, 247995}, 
     {"", ""}}, {346.1188, 11.835636, "Meta"} -> {{41788, 43043, 32471}, 
     {"Nifedipine [ C17 H18 N2 O6, db=50.63, overall=25.31, KEGG ID=C07266, \
CAS ID=21829-25-4 ]", "21829-25-4"}}, {276.1724, 11.846942, "Meta"} -> 
    {{142213, 107711, 101223}, {"cyclandelate [ C17 H24 O3, db=63.51, \
overall=31.75, KEGG ID=, CAS ID=456-59-7 ]", "456-59-7"}}, 
   {369.197, 11.842227, "Meta"} -> {{23987, 27752, 26501}, {"", ""}}, 
   {588.2903, 11.855272, "Meta"} -> {{52490, 27605, 24723}, {"", ""}}, 
   {330.1805, 11.858284, "Meta"} -> {{291363, 197527, 232885}, 
     {"16-Hydroxy-4-oxoretinoic acid [ C20 H26 O4, db=78.37, overall=39.19, \
KEGG ID=, CAS ID=107257-23-8 ]", "107257-23-8"}}, 
   {252.1358, 11.86086, "Meta"} -> {{41147, 34928, 39033}, {"", ""}}, 
   {290.1884, 11.862444, "Meta"} -> {{163598, 134700, 102778}, 
     {"8-hydroxy-17-octadecene-9,11-diynoic acid [ C18 H26 O3, db=62.31, \
overall=31.16, Lipid ID=, KEGG ID= ]", ""}}, {351.2187, 11.864862, "Meta"} -> 
    {{177832, 127569, 99966}, {"", ""}}, {592.3258, 11.793964, "Meta"} -> 
    {{131189, 116401, 100308}, {"", ""}}, {309.2302, 11.861514, "Meta"} -> 
    {{589071, 522310, 505861}, {"", ""}}, {447.2981, 11.879917, "Meta"} -> 
    {{470075, 425803, 383649}, {"", ""}}, {511.3273, 11.884157, "Meta"} -> 
    {{413675, 1, 41820}, {"", ""}}, {280.1649, 11.8923235, "Meta"} -> 
    {{79458, 65556, 72046}, {"", ""}}, {705.4871, 11.893938, "Meta"} -> 
    {{74014, 73761, 68268}, {"", ""}}, {291.2176, 11.896868, "Meta"} -> 
    {{250101, 208574, 302597}, {"Penbutolol [ C18 H29 N O2, db=57.95, \
overall=28.98, KEGG ID=C07416, CAS ID=38363-40-5 ]", "38363-40-5"}}, 
   {688.4606, 11.89371, "Meta"} -> {{20792, 116435, 108061}, {"", ""}}, 
   {267.2197, 11.913969, "Meta"} -> {{664917, 641022, 653891}, {"", ""}}, 
   {394.2926, 11.915362, "Meta"} -> {{148005, 137092, 125456}, {"", ""}}, 
   {251.2248, 11.917944, "Meta"} -> {{264689, 254981, 245774}, {"", ""}}, 
   {411.3194, 11.915528, "Meta"} -> {{69253, 69759, 59444}, {"", ""}}, 
   {256.219, 11.924389, "Meta"} -> {{74297, 68433, 65707}, {"", ""}}, 
   {610.2709, 11.924807, "Meta"} -> {{31263, 26118, 21154}, {"", ""}}, 
   {534.281, 11.92525, "Meta"} -> {{88614, 67319, 67424}, {"", ""}}, 
   {451.3145, 11.934751, "Meta"} -> {{26732, 25133, 29805}, {"", ""}}, 
   {224.1408, 11.931854, "Meta"} -> {{49329, 1, 1}, 
     {"Methyl jasmonate [ C13 H20 O3, db=49.28, overall=24.64, KEGG \
ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {456.2698, 11.934423, "Meta"} -> {{62755, 40442, 58846}, {"", ""}}, 
   {572.3308, 11.924665, "Meta"} -> {{11504, 17713, 14593}, {"", ""}}, 
   {428.2149, 11.942999, "Meta"} -> {{44601, 42336, 29408}, {"", ""}}, 
   {315.2772, 11.940305, "Meta"} -> {{1787527, 1651507, 1608602}, {"", ""}}, 
   {413.2462, 11.94091, "Meta"} -> {{92947, 77727, 67198}, {"", ""}}, 
   {297.2667, 11.941416, "Meta"} -> {{132908, 114131, 126471}, 
     {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ C18 H35 N O2, db=86.94, \
overall=43.47, KEGG ID=, CAS ID= ]", ""}}, {341.2728, 11.941767, "Meta"} -> 
    {{37549, 25279, 30607}, {"", ""}}, {314.0917, 11.9444475, "Meta"} -> 
    {{125639, 146664, 80972}, {"", ""}}, {261.1217, 11.955101, "Meta"} -> 
    {{1, 61201, 62520}, {"", ""}}, {379.2542, 11.973425, "Meta"} -> 
    {{51071, 23451, 39874}, {"", ""}}, {594.3415, 11.96689, "Meta"} -> 
    {{422166, 335671, 273532}, {"L-Urobilin [ C33 H46 N4 O6, db=74.87, \
overall=37.44, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {255.2196, 11.968827, "Meta"} -> {{63976, 1, 1}, {"", ""}}, 
   {414.2043, 11.974148, "Meta"} -> {{47444, 34203, 75154}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=62.51, overall=31.26 ]", ""}}, 
   {312.2301, 11.973156, "Meta"} -> {{109817, 102194, 94990}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=65.73, \
overall=32.86, Lipid ID=, KEGG ID= ]", ""}}, {328.2254, 11.979709, "Meta"} -> 
    {{77933, 95300, 1}, {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 \
H32 O5, db=55.40, overall=27.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {196.1461, 11.97807, "Meta"} -> {{41600, 19543, 28899}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=60.16, overall=30.08, Lipid ID=, \
KEGG ID= ]", ""}}, {754.4684, 11.973702, "Meta"} -> 
    {{99924, 97678, 84993}, {"", ""}}, {749.5135, 11.97703, "Meta"} -> 
    {{72231, 76180, 72938}, {"", ""}}, {324.1915, 11.994925, "Meta"} -> 
    {{34420, 32120, 40591}, {"12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrien\
oic acid [ C18 H28 O5, db=57.41, overall=28.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {309.23, 11.97869, "Meta"} -> {{1, 1, 124986}, {"", ""}}, 
   {301.1142, 11.992531, "Meta"} -> {{112159, 106616, 108655}, {"", ""}}, 
   {331.2543, 12.023166, "Meta"} -> {{594880, 330172, 254568}, {"", ""}}, 
   {455.3454, 12.01464, "Meta"} -> {{96845, 107270, 99545}, {"", ""}}, 
   {438.3189, 12.015082, "Meta"} -> {{190363, 175839, 161090}, {"", ""}}, 
   {358.2328, 12.025667, "Meta"} -> {{5305867, 482301, 75435}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=96.96, overall=48.48 ]", ""}}, 
   {311.152, 12.032904, "Meta"} -> {{62797, 67383, 49767}, {"", ""}}, 
   {353.2775, 12.026425, "Meta"} -> {{4003079, 437608, 68256}, {"", ""}}, 
   {385.3189, 12.040938, "Meta"} -> {{40291, 26319, 23729}, {"", ""}}, 
   {397.3187, 12.041324, "Meta"} -> {{303135, 56645, 51258}, {"", ""}}, 
   {798.4948, 12.054034, "Meta"} -> {{86800, 86142, 66390}, {"", ""}}, 
   {793.5397, 12.054131, "Meta"} -> {{61986, 64897, 58619}, {"", ""}}, 
   {590.3062, 12.072692, "Meta"} -> {{22466, 19819, 16071}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=57.10, overall=28.55, HMP \
ID=HMDB04158, KEGG ID= ]", ""}}, {326.0038, 12.075236, "Meta"} -> 
    {{130393, 293082, 138261}, {"", ""}}, {236.1403, 12.083773, "Meta"} -> 
    {{108882, 76795, 68969}, {"", ""}}, {252.1866, 12.082345, "Meta"} -> 
    {{31850, 46158, 38042}, {"", ""}}, {586.209, 12.083833, "Meta"} -> 
    {{105820, 173019, 168793}, {"", ""}}, {350.155, 12.082278, "Meta"} -> 
    {{91324, 84911, 78499}, {"", ""}}, {526.1727, 12.085113, "Meta"} -> 
    {{150969, 157737, 145957}, {"", ""}}, {466.1347, 12.082086, "Meta"} -> 
    {{195100, 137609, 112750}, {"", ""}}, {270.1981, 12.084306, "Meta"} -> 
    {{381024, 349811, 296939}, {"", ""}}, {412.1294, 12.085416, "Meta"} -> 
    {{145280, 128060, 116030}, {"", ""}}, {368.1654, 12.082582, "Meta"} -> 
    {{119765, 116105, 109601}, {"Testosterone sulfate [ C19 H28 O5 S, \
db=92.27, overall=46.13, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {498.1664, 12.083362, "Meta"} -> {{59197, 48418, 42017}, {"", ""}}, 
   {616.2339, 12.084806, "Meta"} -> {{70533, 84265, 61679}, {"", ""}}, 
   {243.2196, 12.102666, "Meta"} -> {{75173, 94406, 62632}, 
     {"2-amino-tetradecanoic acid [ C14 H29 N O2, db=84.12, overall=42.06, \
Lipid ID=, KEGG ID= ]", ""}}, {482.3452, 12.104295, "Meta"} -> 
    {{201425, 188862, 35678}, {"", ""}}, {234.1617, 12.111666, "Meta"} -> 
    {{99886, 76972, 70982}, {"", ""}}, {248.1769, 12.122094, "Meta"} -> 
    {{100768, 94166, 80180}, {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 \
O2, db=79.54, overall=39.77, Lipid ID=, KEGG ID= ]", ""}}, 
   {291.2195, 12.120156, "Meta"} -> {{86131, 96377, 85770}, 
     {"Penbutolol [ C18 H29 N O2, db=68.40, overall=34.20, KEGG ID=C07416, \
CAS ID=38363-40-5 ]", "38363-40-5"}}, {837.5658, 12.128968, "Meta"} -> 
    {{53155, 52358, 54871}, {"", ""}}, {342.1837, 12.136654, "Meta"} -> 
    {{23696, 26666, 21683}, {"Acitretin Ro 23-4750 [ C21 H26 O4, db=77.85, \
overall=38.93, KEGG ID=, CAS ID=121785-73-7 ]", "121785-73-7"}}, 
   {264.1359, 12.146778, "Meta"} -> {{747060, 623610, 603700}, {"", ""}}, 
   {222.1252, 12.146971, "Meta"} -> {{93442, 80516, 86581}, 
     {"Hydroxyibuprofen [ C13 H18 O3, db=74.22, overall=37.11, KEGG ID=, CAS \
ID=51146-55-5 ]", "51146-55-5"}}, {296.1624, 12.147417, "Meta"} -> 
    {{131771, 106079, 106680}, {"Lactone of PGF-MUM [ C16 H24 O5, db=79.76, \
overall=39.88, KEGG ID=, CAS ID= ]", ""}}, {282.1466, 12.147778, "Meta"} -> 
    {{1172153, 994611, 836832}, {"Artemisinin [ C15 H22 O5, db=99.12, \
overall=49.56, KEGG ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {341.2723, 12.151607, "Meta"} -> {{1, 25242, 25802}, {"", ""}}, 
   {380.1164, 12.147638, "Meta"} -> {{51618, 45042, 41933}, 
     {"Cys Gln Met [ C13 H24 N4 O5 S2, db=68.35, overall=34.18 ]", ""}}, 
   {306.1804, 12.177001, "Meta"} -> {{52428, 40829, 34123}, 
     {"Tetranor Iloprost [ C18 H26 O4, db=63.70, overall=31.85, KEGG ID=, CAS \
ID=93220-69-0 ]", "93220-69-0"}}, {402.1937, 12.148144, "Meta"} -> 
    {{66129, 65842, 55506}, 
     {"Pro Trp Thr [ C20 H26 N4 O5, db=72.34, overall=36.17 ]", ""}}, 
   {297.2667, 12.156, "Meta"} -> {{81048, 1, 79305}, 
     {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ C18 H35 N O2, db=77.59, \
overall=38.79, KEGG ID=, CAS ID= ]", ""}}, {315.2772, 12.155445, "Meta"} -> 
    {{1292824, 1203033, 1158619}, {"", ""}}, {413.2455, 12.157277, "Meta"} -> 
    {{76560, 57125, 66873}, {"", ""}}, {313.2615, 12.160829, "Meta"} -> 
    {{106859, 215460, 269906}, {"", ""}}, {311.1518, 12.180069, "Meta"} -> 
    {{1, 41887, 24600}, {"", ""}}, {299.9847, 12.185141, "Meta"} -> 
    {{3930745, 1753298, 1284219}, {"", ""}}, 
   {318.1804, 12.2324295, "Meta"} -> {{1, 1, 1}, {"Ubiquinone (Q2) [ C19 H26 \
O4, db=42.47, overall=21.23, KEGG ID=, CAS ID=606-06-4 ]", "606-06-4"}}, 
   {606.2023, 12.187666, "Meta"} -> {{196528, 164996, 134342}, {"", ""}}, 
   {462.2252, 12.1875, "Meta"} -> {{775394, 717821, 575122}, 
     {"Hydrocortisone succinate [ C25 H34 O8, db=96.63, overall=48.31, Lipid \
ID=LMST02030126, KEGG ID=C12888 ]", ""}}, {525.2572, 12.187778, "Meta"} -> 
    {{389409, 355856, 482030}, {"", ""}}, {568.2631, 12.187808, "Meta"} -> 
    {{61501, 93596, 67780}, {"", ""}}, {621.1704, 12.188378, "Meta"} -> 
    {{71323, 53014, 40766}, {"", ""}}, {530.2126, 12.187939, "Meta"} -> 
    {{908908, 366693, 575208}, 
     {"Trp Tyr Tyr [ C29 H30 N4 O6, db=72.13, overall=36.06 ]", ""}}, 
   {377.2329, 12.190221, "Meta"} -> {{213118, 153328, 152519}, 
     {"Val Leu Phe [ C20 H31 N3 O4, db=88.80, overall=44.40 ]", ""}}, 
   {628.2743, 12.1870985, "Meta"} -> {{38178, 40051, 33917}, {"", ""}}, 
   {420.2121, 12.200396, "Meta"} -> {{43419, 1, 23557}, {"", ""}}, 
   {228.1723, 12.197486, "Meta"} -> {{17381, 88358, 79025}, 
     {"10-keto tridecanoic acid [ C13 H24 O3, db=61.20, overall=30.60, Lipid \
ID=LMFA01060042, KEGG ID= ]", ""}}, {372.191, 12.199401, "Meta"} -> 
    {{51558, 43497, 32529}, {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=56.89, \
overall=28.44, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {357.2698, 12.228862, "Meta"} -> {{976102, 461942, 358756}, {"", ""}}, 
   {199.1932, 12.220861, "Meta"} -> {{253796, 351363, 259877}, 
     {"dodecanamide [ C12 H25 N O, db=98.45, overall=49.22, Lipid ID=, KEGG \
ID= ]", ""}}, {259.2255, 12.222748, "Meta"} -> {{66000, 91683, 50638}, 
     {"", ""}}, {269.235, 12.2237425, "Meta"} -> {{134041, 66669, 82665}, 
     {"", ""}}, {719.5028, 12.228621, "Meta"} -> {{55004, 56687, 35642}, 
     {"", ""}}, {664.2384, 12.227905, "Meta"} -> {{1, 41322, 63281}, 
     {"", ""}}, {248.1768, 12.233333, "Meta"} -> 
    {{1, 1, 26617}, {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, \
db=72.21, overall=36.10, Lipid ID=, KEGG ID= ]", ""}}, 
   {284.1987, 12.237692, "Meta"} -> {{32540, 92013, 75746}, {"", ""}}, 
   {262.1929, 12.242998, "Meta"} -> {{204379, 169359, 155703}, 
     {"5,8-heptadecadiynoic acid [ C17 H26 O2, db=98.55, overall=49.28, Lipid \
ID=, KEGG ID= ]", ""}}, {533.3115, 12.239881, "Meta"} -> 
    {{107470, 26385, 29631}, {"", ""}}, {302.1855, 12.243556, "Meta"} -> 
    {{194772, 156170, 119310}, {"2-Methoxyestradiol [ C19 H26 O3, db=76.71, \
overall=38.36, HMP ID=HMDB00405, KEGG ID= ]", ""}}, 
   {436.1856, 12.235857, "Meta"} -> {{21245, 66047, 40635}, {"", ""}}, 
   {596.3558, 12.249497, "Meta"} -> {{26278, 23685, 23922}, {"", ""}}, 
   {242.188, 12.252134, "Meta"} -> {{174477, 128706, 103555}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=63.43, \
overall=31.71, Lipid ID=, KEGG ID= ]", ""}}, {614.3666, 12.251577, "Meta"} -> 
    {{54843, 60834, 41857}, {"", ""}}, {512.1788, 12.245139, "Meta"} -> 
    {{44268, 31539, 21431}, {"10S,11R-epoxy-punaglandin 3 [ C25 H33 Cl O9, \
db=53.22, overall=26.61, Lipid ID=LMFA03120039, KEGG ID= ]", ""}}, 
   {376.1882, 12.266801, "Meta"} -> {{78863, 157893, 94350}, 
     {"Arg Val Cys [ C14 H28 N6 O4 S, db=75.82, overall=37.91 ]", ""}}, 
   {580.2321, 12.270332, "Meta"} -> {{186786, 189668, 133601}, {"", ""}}, 
   {630.2687, 12.26936, "Meta"} -> {{144312, 120254, 80009}, {"", ""}}, 
   {612.2583, 12.2699175, "Meta"} -> {{93472, 114689, 97212}, {"", ""}}, 
   {672.2793, 12.270498, "Meta"} -> {{90142, 88075, 71480}, {"", ""}}, 
   {658.2637, 12.2717495, "Meta"} -> {{32967, 31892, 23110}, {"", ""}}, 
   {644.2843, 12.27025, "Meta"} -> {{259545, 250518, 204768}, {"", ""}}, 
   {298.2154, 12.269302, "Meta"} -> {{11569, 34191, 24675}, 
     {"8E-Heptadecenedioic acid [ C17 H30 O4, db=61.18, overall=30.59, Lipid \
ID=, KEGG ID= ]", ""}}, {336.1262, 12.278805, "Meta"} -> 
    {{48707, 40965, 30190}, {"", ""}}, {238.1567, 12.281195, "Meta"} -> 
    {{809476, 643099, 560181}, {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 \
H22 O3, db=97.15, overall=48.57, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {423.3348, 12.288555, "Meta"} -> {{969946, 122590, 148428}, {"", ""}}, 
   {311.2457, 12.286498, "Meta"} -> {{464626, 449722, 181015}, {"", ""}}, 
   {374.2429, 12.298686, "Meta"} -> {{74401, 62684, 52748}, 
     {"Digitoxigenin [ C23 H34 O4, db=53.68, overall=26.84, KEGG ID=, CAS \
ID=143-62-4 ]", "143-62-4"}}, {477.1899, 12.302515, "Meta"} -> 
    {{21153, 57230, 41359}, {"3,5-Pyridinedicarboxylic acid, \
2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino] [ C26 \
H27 N3 O6, db=59.31, overall=29.66, KEGG ID=, CAS ID=59875-58-0 ]", 
      "59875-58-0"}}, {768.4842, 12.295834, "Meta"} -> 
    {{1, 75805, 61109}, {"", ""}}, {369.2874, 12.299877, "Meta"} -> 
    {{43654, 45755, 66759}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, \
db=64.19, overall=32.09, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {763.5288, 12.296454, "Meta"} -> {{59285, 64865, 65513}, {"", ""}}, 
   {314.1884, 12.299144, "Meta"} -> {{61692, 59781, 82084}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=70.86, overall=35.43, KEGG ID=, \
CAS ID=38030-57-8 ]", "38030-57-8"}}, {271.2523, 12.302779, "Meta"} -> 
    {{114949, 112288, 45873}, {"2R-aminohexadecanoic acid [ C16 H33 N O2, \
db=52.07, overall=26.04, Lipid ID=, KEGG ID= ]", ""}}, 
   {625.346, 12.299999, "Meta"} -> {{334020, 329867, 288273}, 
     {"Glycochenodeoxycholic acid 3-glucuronide [ C32 H51 N O11, db=99.35, \
overall=49.68, HMP ID=HMDB02579, KEGG ID= ]", ""}}, 
   {342.1463, 12.310115, "Meta"} -> {{1, 41698, 1}, {"", ""}}, 
   {663.2926, 12.299033, "Meta"} -> {{36958, 26532, 25058}, {"", ""}}, 
   {372.2661, 12.3107815, "Meta"} -> {{49822, 57189, 43811}, 
     {"(22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid [ C24 H36 O3, db=66.95, \
overall=33.48, Lipid ID=, KEGG ID= ]", ""}}, {329.2566, 12.319615, "Meta"} -> 
    {{71867, 66310, 61131}, {"", ""}}, {265.2404, 12.332487, "Meta"} -> 
    {{70015, 87856, 59370}, {"", ""}}, {305.2328, 12.322701, "Meta"} -> 
    {{23173, 40596, 34289}, {"", ""}}, {230.1879, 12.337853, "Meta"} -> 
    {{119010, 1, 86992}, {"4-hydroxy-tridecanoic acid [ C13 H26 O3, db=63.86, \
overall=31.93, Lipid ID=, KEGG ID= ]", ""}}, {631.4503, 12.339085, "Meta"} -> 
    {{86003, 92151, 83805}, {"", ""}}, {312.1359, 12.347117, "Meta"} -> 
    {{52719, 55290, 50622}, {"", ""}}, {388.2607, 12.350721, "Meta"} -> 
    {{79313, 59874, 50240}, {"7,12-Dioxo-5beta-cholan-24-oic Acid [ C24 H36 \
O4, db=77.22, overall=38.61, Lipid ID=, KEGG ID= ]", ""}}, 
   {328.2249, 12.339256, "Meta"} -> {{139545, 229818, 216595}, 
     {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 H32 O5, db=76.40, \
overall=38.20, Lipid ID=, KEGG ID= ]", ""}}, {425.3361, 12.35692, "Meta"} -> 
    {{58703, 49943, 71692}, {"", ""}}, {408.3088, 12.36271, "Meta"} -> 
    {{1, 1, 22925}, {"", ""}}, {281.2354, 12.3655615, "Meta"} -> 
    {{174790, 172766, 190969}, {"", ""}}, {360.1656, 12.382274, "Meta"} -> 
    {{43879, 41773, 48012}, 
     {"Leu Asn Asp [ C14 H24 N4 O7, db=77.19, overall=38.60 ]", ""}}, 
   {338.2439, 12.380382, "Meta"} -> {{140812, 111968, 106767}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=74.85, overall=37.42, KEGG ID=, \
CAS ID= ]", ""}}, {436.1472, 12.383839, "Meta"} -> 
    {{43866, 27832, 34511}, {"", ""}}, {376.1198, 12.386286, "Meta"} -> 
    {{56374, 31523, 1}, 
     {"Asp Asn Glu [ C13 H20 N4 O9, db=55.52, overall=27.76 ]", ""}}, 
   {278.1519, 12.387778, "Meta"} -> {{3622939, 2334975, 2632423}, {"", ""}}, 
   {148.0158, 12.3895, "Meta"} -> {{345708, 254742, 294690}, {"", ""}}, 
   {204.0784, 12.3909445, "Meta"} -> {{227408, 146631, 177067}, {"", ""}}, 
   {396.2873, 12.403235, "Meta"} -> {{1, 158426, 141056}, 
     {"PGF2alpha isopropyl ester [ C23 H40 O5, db=87.08, overall=43.54, Lipid \
ID=LMFA03010076, KEGG ID= ]", ""}}, {276.17, 12.37928, "Meta"} -> 
    {{25935, 19493, 13293}, {"cyclandelate [ C17 H24 O3, db=51.06, \
overall=25.53, KEGG ID=, CAS ID=456-59-7 ]", "456-59-7"}}, 
   {607.326, 12.407581, "Meta"} -> {{30205, 46077, 63103}, {"", ""}}, 
   {675.4764, 12.4054, "Meta"} -> {{67209, 67925, 65102}, {"", ""}}, 
   {487.2618, 12.410424, "Meta"} -> {{115988, 109037, 102662}, {"", ""}}, 
   {562.256, 12.410714, "Meta"} -> {{55564, 51802, 36633}, 
     {"Protoporphyrin [ C34 H34 N4 O4, db=79.79, overall=39.90, KEGG \
ID=C01079, CAS ID=553-12-8 ]", "553-12-8"}}, {547.2891, 12.410121, "Meta"} -> 
    {{107588, 106451, 90349}, {"", ""}}, {449.3139, 12.410828, "Meta"} -> 
    {{2845938, 2422935, 2012243}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, \
db=99.45, overall=49.73, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {505.2336, 12.410571, "Meta"} -> {{63784, 35705, 42930}, {"", ""}}, 
   {431.3035, 12.411553, "Meta"} -> {{1218703, 1135785, 923232}, {"", ""}}, 
   {413.2934, 12.41158, "Meta"} -> {{437936, 418204, 369554}, {"", ""}}, 
   {491.3008, 12.412041, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1312.7719, 12.4140005, "Meta"} -> {{16655, 19422, 15574}, {"", ""}}, 
   {851.5811, 12.417131, "Meta"} -> {{61133, 63300, 52681}, 
     {"C20-OHSulfatide [ C44 H85 N O12 S, db=89.76, overall=44.88, Lipid \
ID=LMSP06020005, KEGG ID= ]", ""}}, {467.301, 12.424151, "Meta"} -> 
    {{913475, 134458, 131480}, {"Myristoyl L-a-lysophosphatidylcholine [ C22 \
H46 N O7 P, db=96.32, overall=48.16, KEGG ID=, CAS ID=20559-16-4 ]", 
      "20559-16-4"}}, {469.361, 12.42775, "Meta"} -> 
    {{108219, 124484, 110341}, {"", ""}}, {452.3344, 12.426857, "Meta"} -> 
    {{64688, 207974, 189759}, {"", ""}}, {505.2485, 12.426792, "Meta"} -> 
    {{54918, 1, 1}, {"", ""}}, {863.4587, 12.424135, "Meta"} -> 
    {{33386, 27157, 23051}, {"", ""}}, {614.2372, 12.435374, "Meta"} -> 
    {{1, 52998, 31636}, {"", ""}}, {324.0821, 12.4366255, "Meta"} -> 
    {{141034, 190932, 97184}, {"", ""}}, {274.2141, 12.443, "Meta"} -> 
    {{827289, 121733, 1}, {"2,15-dihydroxy-pentadecylic acid [ C15 H30 O4, \
db=98.78, overall=49.39, Lipid ID=LMFA01050082, KEGG ID= ]", ""}}, 
   {256.2038, 12.44312, "Meta"} -> {{49278, 1, 1}, {"11-keto pentadecanoic \
acid [ C15 H28 O3, db=62.07, overall=31.03, Lipid ID=LMFA01060048, KEGG ID= \
]", ""}}, {352.171, 12.430658, "Meta"} -> {{49607, 44477, 1}, {"", ""}}, 
   {370.1815, 12.436501, "Meta"} -> {{56370, 62476, 65406}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=68.09, \
overall=34.04, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {500.1792, 12.433194, "Meta"} -> {{44398, 34519, 24484}, 
     {"gamma-Hydroxyphenylbutazone glucuronide [ C25 H28 N2 O9, db=72.50, \
overall=36.25, KEGG ID=, CAS ID= ]", ""}}, {588.225, 12.436315, "Meta"} -> 
    {{58471, 86484, 85056}, {"", ""}}, {504.2695, 12.450472, "Meta"} -> 
    {{48864, 36930, 31970}, {"", ""}}, {528.189, 12.4353895, "Meta"} -> 
    {{65725, 66867, 59820}, {"", ""}}, {414.1453, 12.441296, "Meta"} -> 
    {{60952, 54039, 41946}, {"", ""}}, {270.2135, 12.456722, "Meta"} -> 
    {{359298, 414965, 181449}, {"", ""}}, {292.167, 12.460268, "Meta"} -> 
    {{104333, 94007, 103097}, {"", ""}}, {719.5026, 12.466721, "Meta"} -> 
    {{53156, 58773, 47204}, {"", ""}}, {399.3347, 12.47114, "Meta"} -> 
    {{1661269, 117146, 123110}, {"Palmitoylcarnitine [ C23 H45 N O4, \
db=99.77, overall=49.89, Lipid ID=LMFA07070004, KEGG ID=C02990 ]", ""}}, 
   {182.1666, 12.464886, "Meta"} -> {{65365, 54373, 48051}, 
     {"7E,9Z-dodecadien-1-ol [ C12 H22 O, db=80.52, overall=40.26, Lipid ID=, \
KEGG ID= ]", ""}}, {242.1878, 12.468251, "Meta"} -> 
    {{658050, 583098, 482304}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 \
O3, db=62.18, overall=31.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {895.6074, 12.470839, "Meta"} -> {{51934, 67404, 48014}, {"", ""}}, 
   {496.3607, 12.486807, "Meta"} -> {{64133, 169811, 52234}, {"", ""}}, 
   {513.3873, 12.487667, "Meta"} -> {{156632, 187076, 156021}, {"", ""}}, 
   {384.1933, 12.488749, "Meta"} -> {{109345, 9945, 70269}, {"", ""}}, 
   {250.1204, 12.488947, "Meta"} -> {{46346, 34952, 38184}, 
     {"Ubiquinone [ C14 H18 O4, db=74.11, overall=37.06, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {409.3186, 12.504228, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {374.2808, 12.501667, "Meta"} -> {{55594, 55450, 51916}, 
     {"3beta-Hydroxychol-4-en-24-oic Acid [ C24 H38 O3, db=92.13, \
overall=46.07, Lipid ID=, KEGG ID= ]", ""}}, {414.2756, 12.501445, "Meta"} -> 
    {{63973, 61261, 60240}, {"", ""}}, {356.2712, 12.505676, "Meta"} -> 
    {{67859, 71498, 44471}, {"4,8,12,15,19,21-tetracosahexaenoic acid [ C24 \
H36 O2, db=94.78, overall=47.39, Lipid ID=, KEGG ID= ]", ""}}, 
   {546.153, 12.509251, "Meta"} -> {{33371, 24810, 25813}, {"", ""}}, 
   {331.2721, 12.510544, "Meta"} -> {{33135, 26008, 24144}, {"", ""}}, 
   {449.314, 12.51639, "Meta"} -> {{3777286, 3315554, 2787743}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=99.24, overall=49.62, HMP \
ID=HMDB00708, KEGG ID= ]", ""}}, {562.2545, 12.516361, "Meta"} -> 
    {{66584, 51841, 47958}, {"Protoporphyrin [ C34 H34 N4 O4, db=70.11, \
overall=35.05, KEGG ID=C01079, CAS ID=553-12-8 ]", "553-12-8"}}, 
   {505.2343, 12.514931, "Meta"} -> {{64932, 49383, 40506}, {"", ""}}, 
   {487.2613, 12.517092, "Meta"} -> {{162456, 107134, 96125}, {"", ""}}, 
   {942.5912, 12.517724, "Meta"} -> {{92718, 49258, 69823}, {"", ""}}, 
   {391.3102, 12.521373, "Meta"} -> {{111593, 23977, 92382}, 
     {"N,N-(2,2-dihydroxy-ethyl) arachidonoyl amine [ C24 H41 N O3, db=41.49, \
overall=20.74, Lipid ID=LMFA08020028, KEGG ID= ]", ""}}, 
   {768.484, 12.522172, "Meta"} -> {{1, 29843, 29637}, {"", ""}}, 
   {547.2912, 12.518182, "Meta"} -> {{89482, 135913, 119917}, {"", ""}}, 
   {763.5285, 12.522705, "Meta"} -> {{39492, 49862, 33910}, {"", ""}}, 
   {612.2584, 12.528093, "Meta"} -> {{212287, 45890, 1}, {"", ""}}, 
   {537.3427, 12.543621, "Meta"} -> {{72240, 24003, 47841}, 
     {"GPEtn(10:0/11:0)[U] [ C26 H52 N O8 P, db=59.82, overall=29.91, Lipid \
ID=LMGP02010053, KEGG ID= ]", ""}}, {425.2543, 12.535178, "Meta"} -> 
    {{84147, 19794, 21796}, {"GPEtn(14:0/0:0) [ C19 H40 N O7 P, db=66.09, \
overall=33.05, Lipid ID=LMGP02050003, KEGG ID= ]", ""}}, 
   {557.4136, 12.545144, "Meta"} -> {{180048, 253398, 172283}, {"", ""}}, 
   {355.2721, 12.554709, "Meta"} -> {{120497, 136060, 140432}, {"", ""}}, 
   {225.2089, 12.554222, "Meta"} -> {{186726, 169986, 150903}, {"", ""}}, 
   {650.3645, 12.549894, "Meta"} -> {{54186, 49619, 47126}, 
     {"Digoxigenin bisdigitoxoside [ C35 H54 O11, db=73.18, overall=36.59, \
KEGG ID=, CAS ID=5297-05-2 ]", "5/2/97"}}, {580.2348, 12.5748005, "Meta"} -> 
    {{153497, 45788, 1}, {"", ""}}, {501.3662, 12.573688, "Meta"} -> 
    {{84759, 135195, 94470}, {"", ""}}, {434.2881, 12.585032, "Meta"} -> 
    {{1938056, 322837, 60743}, {"(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thia\
vitamin D3 3-oxide / (5Z)-(3S)-1alpha,25-dihydroxy-3-deo [ C26 H42 O3 S, \
db=73.08, overall=36.54, Lipid ID=LMST03020052, KEGG ID= ]", ""}}, 
   {467.3008, 12.5836935, "Meta"} -> {{9065322, 819514, 1174814}, 
     {"Myristoyl L-a-lysophosphatidylcholine [ C22 H46 N O7 P, db=97.87, \
overall=48.94, KEGG ID=, CAS ID=20559-16-4 ]", "20559-16-4"}}, 
   {505.2486, 12.583806, "Meta"} -> {{560241, 52350, 72352}, {"", ""}}, 
   {565.2755, 12.582859, "Meta"} -> {{270598, 36335, 68874}, 
     {" [ C32 H39 N O8, overall=43.39, mfg=86.78 ]", ""}}, 
   {451.3146, 12.585577, "Meta"} -> {{860696, 275869, 259709}, {"", ""}}, 
   {279.2563, 12.585971, "Meta"} -> {{1138862, 1362567, 1120875}, {"", ""}}, 
   {319.2485, 12.586908, "Meta"} -> {{953279, 741570, 946931}, 
     {"N-hydroxy arachidonoyl amine [ C20 H33 N O2, db=80.38, overall=40.19, \
Lipid ID=LMFA08020029, KEGG ID= ]", ""}}, {625.3125, 12.582887, "Meta"} -> 
    {{33420, 1, 1}, {"", ""}}, {499.2697, 12.597638, "Meta"} -> 
    {{749321, 45316, 52598}, {"", ""}}, {584.4132, 12.599159, "Meta"} -> 
    {{290151, 209523, 213757}, {"", ""}}, {601.4399, 12.599721, "Meta"} -> 
    {{191608, 266862, 176524}, {"", ""}}, {246.2193, 12.616779, "Meta"} -> 
    {{99223, 94620, 102874}, {"", ""}}, {367.4175, 12.6358, "Meta"} -> 
    {{17704, 16605, 16804}, {"", ""}}, {579.2638, 12.629876, "Meta"} -> 
    {{180382, 34212, 44724}, {"", ""}}, {541.3169, 12.629602, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {639.2913, 12.632768, "Meta"} -> 
    {{42484, 1, 15032}, 
     {" [ C33 H41 N3 O10, db=0.00, overall=27.22, mfg=54.45 ]", ""}}, 
   {425.3506, 12.640696, "Meta"} -> {{2931048, 201579, 229643}, {"", ""}}, 
   {185.1413, 12.638656, "Meta"} -> {{108196, 118978, 126648}, 
     {"N-methyl-Gabapentin [ C10 H19 N O2, db=81.22, overall=40.61, KEGG ID=, \
CAS ID=102937-74-6 ]", "102937-74-6"}}, {285.2666, 12.643584, "Meta"} -> 
    {{22633, 28066, 28191}, {"C17 Sphingosine [ C17 H35 N O2, db=57.52, \
overall=28.76, Lipid ID=LMSP01040002, KEGG ID= ]", ""}}, 
   {327.277, 12.625759, "Meta"} -> {{96828, 76055, 1}, {"", ""}}, 
   {821.5705, 12.638498, "Meta"} -> {{45617, 62114, 40717}, {"", ""}}, 
   {268.24, 12.642863, "Meta"} -> {{124127, 87057, 86408}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=79.16, overall=39.58, Lipid \
ID=LMFA01030060, KEGG ID= ]", ""}}, {545.3922, 12.643999, "Meta"} -> 
    {{75412, 98482, 89178}, {"", ""}}, {302.1891, 12.6535015, "Meta"} -> 
    {{43680, 37298, 18569}, {"2-Methoxyestradiol [ C19 H26 O3, db=65.37, \
overall=32.69, HMP ID=HMDB00405, KEGG ID= ]", ""}}, 
   {650.4213, 12.651346, "Meta"} -> {{200675, 175035, 164276}, {"", ""}}, 
   {645.466, 12.651555, "Meta"} -> {{183875, 237803, 165677}, {"", ""}}, 
   {335.2434, 12.66379, "Meta"} -> {{670689, 630070, 698118}, {"", ""}}, 
   {256.2034, 12.661515, "Meta"} -> {{77641, 111762, 111833}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=61.28, overall=30.64, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {493.3169, 12.66411, "Meta"} -> 
    {{1494766, 217476, 249821}, {"", ""}}, {531.2641, 12.663871, "Meta"} -> 
    {{95603, 1, 1}, {"", ""}}, {590.3068, 12.671346, "Meta"} -> 
    {{49365, 34867, 35954}, {"D-Urobilinogen [ C33 H42 N4 O6, db=52.07, \
overall=26.03, HMP ID=HMDB04158, KEGG ID= ]", ""}}, 
   {396.1935, 12.680503, "Meta"} -> {{125812, 82123, 65633}, 
     {"Pregnenolone sulfate [ C21 H32 O5 S, db=36.59, overall=18.29, HMP \
ID=HMDB00774, KEGG ID= ]", ""}}, {632.5102, 12.680666, "Meta"} -> 
    {{84996, 72281, 68805}, {"", ""}}, {865.5968, 12.684233, "Meta"} -> 
    {{44336, 56558, 47100}, {"", ""}}, {395.2349, 12.689027, "Meta"} -> 
    {{108756, 88070, 97009}, {"", ""}}, {379.2488, 12.687057, "Meta"} -> 
    {{907212, 534355, 443998}, {"Sphingosine-1-phosphate [ C18 H38 N O5 P, \
db=99.36, overall=49.68, KEGG ID=, CAS ID=26993-30-6 ]", "26993-30-6"}}, 
   {319.2487, 12.687944, "Meta"} -> {{2359436, 1951109, 2394102}, 
     {"N-hydroxy arachidonoyl amine [ C20 H33 N O2, db=82.57, overall=41.29, \
Lipid ID=LMFA08020029, KEGG ID= ]", ""}}, {279.2564, 12.689749, "Meta"} -> 
    {{3712130, 3503352, 3174358}, {"", ""}}, {342.3243, 12.690058, "Meta"} -> 
    {{85565, 114837, 83464}, {"", ""}}, {352.236, 12.696232, "Meta"} -> 
    {{1, 160108, 229414}, {"", ""}}, {180.0781, 12.695332, "Meta"} -> 
    {{44358, 78244, 98303}, {"o-Methoxyhydrocinnamic acid [ C10 H12 O3, \
db=82.64, overall=41.32, KEGG ID=, CAS ID= ]", ""}}, 
   {314.1855, 12.695227, "Meta"} -> {{307635, 375774, 603914}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=73.03, overall=36.52, KEGG ID=, \
CAS ID=38030-57-8 ]", "38030-57-8"}}, {309.2304, 12.69561, "Meta"} -> 
    {{520446, 829063, 1006029}, {"", ""}}, {475.2699, 12.694333, "Meta"} -> 
    {{370750, 131911, 137550}, {"", ""}}, {236.1406, 12.695944, "Meta"} -> 
    {{28953, 40459, 65594}, {"", ""}}, {689.4924, 12.699888, "Meta"} -> 
    {{161681, 188631, 152936}, {"", ""}}, {672.4659, 12.699749, "Meta"} -> 
    {{212506, 185313, 142505}, {"", ""}}, {609.351, 12.6962595, "Meta"} -> 
    {{87339, 95412, 85852}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl [ C32 H51 N O10, \
db=94.76, overall=47.38, HMP ID=HMDB02474, KEGG ID= ]", ""}}, 
   {382.2147, 12.704666, "Meta"} -> {{55775, 72879, 36368}, 
     {"3,12-Dioxochola-1,4,9(11)-trien-24-oic Acid [ C24 H30 O4, db=73.34, \
overall=36.67, Lipid ID=, KEGG ID= ]", ""}}, {589.4187, 12.706942, "Meta"} -> 
    {{42654, 64255, 68907}, {"", ""}}, {307.2718, 12.7117195, "Meta"} -> 
    {{19074, 23262, 19445}, {"", ""}}, {270.2192, 12.709618, "Meta"} -> 
    {{204924, 398323, 99584}, {"3-keto palmitic acid [ C16 H30 O3, db=85.03, \
overall=42.52, Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, 
   {537.217, 12.694345, "Meta"} -> {{44704, 1, 1}, {"", ""}}, 
   {499.2698, 12.711946, "Meta"} -> {{534619, 180259, 164822}, {"", ""}}, 
   {300.2299, 12.716436, "Meta"} -> {{58693, 26666, 117847}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=79.78, overall=39.89, \
Lipid ID=, KEGG ID= ]", ""}}, {630.4941, 12.715778, "Meta"} -> 
    {{55592, 45698, 64704}, {"", ""}}, {252.2085, 12.716553, "Meta"} -> 
    {{83817, 84161, 73417}, {"2E,4E-hexadecadienoic acid [ C16 H28 O2, \
db=73.15, overall=36.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {914.5783, 12.727905, "Meta"} -> {{67212, 51335, 47981}, {"", ""}}, 
   {280.2014, 12.73493, "Meta"} -> {{33388, 60500, 55073}, 
     {"12S-HHTrE [ C17 H28 O3, db=42.31, overall=21.16, KEGG ID=, CAS ID= ]", 
      ""}}, {329.2928, 12.71444, "Meta"} -> {{988787, 1050681, 1007958}, 
     {"", ""}}, {355.2179, 12.744277, "Meta"} -> {{90022, 85417, 85992}, 
     {"p-Hydroxypropoxyphene [ C22 H29 N O3, db=63.66, overall=31.83, KEGG \
ID=, CAS ID=43117-32-4 ]", "43117-32-4"}}, {240.2085, 12.740068, "Meta"} -> 
    {{42842, 60609, 55816}, {"2-pentadecenoic acid [ C15 H28 O2, db=72.07, \
overall=36.04, Lipid ID=, KEGG ID= ]", ""}}, {573.2378, 12.738915, "Meta"} -> 
    {{50815, 1, 1}, {"", ""}}, {874.5164, 12.745845, "Meta"} -> 
    {{81019, 44853, 40711}, {"Ivermectin B1a [ C48 H74 O14, db=21.59, \
overall=10.80, KEGG ID=C07970, CAS ID=71827-03-7 ]", "71827-03-7"}}, 
   {615.29, 12.742728, "Meta"} -> {{102108, 43002, 49789}, {"", ""}}, 
   {393.2191, 12.747176, "Meta"} -> {{121717, 148974, 124464}, {"", ""}}, 
   {733.5184, 12.745, "Meta"} -> {{134357, 150372, 118791}, {"", ""}}, 
   {716.4917, 12.745065, "Meta"} -> {{1, 148469, 129352}, {"", ""}}, 
   {517.3169, 12.746193, "Meta"} -> {{7879885, 1498481, 1797077}, 
     {"Linolenoyl lysolecithin [ C26 H48 N O7 P, db=99.00, overall=49.50, \
KEGG ID=, CAS ID=63163-01-9 ]", "63163-01-9"}}, 
   {555.2641, 12.744076, "Meta"} -> {{321172, 1, 1}, 
     {"Leucine Enkephalin [ C28 H37 N5 O7, db=46.08, overall=23.04, KEGG ID=, \
CAS ID=81678-16-2 ]", "81678-16-2"}}, {1096.581, 12.747542, "Meta"} -> 
    {{304667, 38699, 42243}, {"", ""}}, {1058.6335, 12.748626, "Meta"} -> 
    {{534503, 10857, 16955}, {"", ""}}, {451.2698, 12.751194, "Meta"} -> 
    {{215298, 105191, 120102}, {"", ""}}, {1104.6042, 12.750401, "Meta"} -> 
    {{262876, 1, 1}, {"", ""}}, {594.238, 12.752146, "Meta"} -> 
    {{93865, 24806, 25617}, {"", ""}}, {1661.8961, 12.749751, "Meta"} -> 
    {{109319, 1, 1}, {"", ""}}, {295.2514, 12.752306, "Meta"} -> 
    {{1.1*^7, 1.19*^7, 1.07*^7}, {"", ""}}, {646.5257, 12.745705, "Meta"} -> 
    {{49170, 36627, 40367}, {"", ""}}, {654.2522, 12.751028, "Meta"} -> 
    {{165021, 37638, 49839}, {"", ""}}, {541.3161, 12.752888, "Meta"} -> 
    {{1.79*^7, 2458289, 3739202}, {"", ""}}, {597.2377, 12.750058, "Meta"} -> 
    {{199426, 47612, 46628}, {"", ""}}, {579.2647, 12.7531395, "Meta"} -> 
    {{910175, 257795, 324955}, 
     {" [ C32 H39 N2 O8, db=0.00, overall=32.44, mfg=64.87 ]", ""}}, 
   {710.2763, 12.752368, "Meta"} -> {{44816, 1, 1}, {"", ""}}, 
   {639.2909, 12.752972, "Meta"} -> {{201288, 97273, 113167}, 
     {" [ C33 H41 N3 O10, db=0.00, overall=34.40, mfg=68.80 ]", ""}}, 
   {563.2865, 12.751833, "Meta"} -> {{69995, 1, 31681}, {"", ""}}, 
   {278.2243, 12.768029, "Meta"} -> {{244712, 267466, 253940}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=76.66, overall=38.33, Lipid \
ID=LMFA01030148, KEGG ID= ]", ""}}, {958.6044, 12.764857, "Meta"} -> 
    {{58849, 1, 1}, {"", ""}}, {1613.8976, 12.766002, "Meta"} -> 
    {{93237, 1, 1}, {"", ""}}, {358.1711, 12.782434, "Meta"} -> 
    {{79228, 85232, 88636}, {"", ""}}, {298.1468, 12.782714, "Meta"} -> 
    {{104590, 105494, 100494}, {"", ""}}, {345.1374, 12.7813015, "Meta"} -> 
    {{54619, 45798, 36710}, {"", ""}}, {200.1773, 12.781779, "Meta"} -> 
    {{193888, 277271, 198383}, {"Lauric acid [ C12 H24 O2, db=93.72, \
overall=46.86, KEGG ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, 
   {214.1929, 12.781723, "Meta"} -> {{131600, 152537, 121210}, 
     {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, db=85.75, overall=42.87, \
KEGG ID=, CAS ID= ]", ""}}, {254.224, 12.784, "Meta"} -> 
    {{220532, 230068, 181243}, {"7-palmitoleic acid [ C16 H30 O2, db=89.68, \
overall=44.84, Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, 
   {1072.5817, 12.78529, "Meta"} -> {{354684, 45410, 1}, {"", ""}}, 
   {777.5449, 12.788111, "Meta"} -> {{101532, 104160, 85340}, {"", ""}}, 
   {294.2171, 12.80724, "Meta"} -> {{235933, 255873, 239149}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=65.45, overall=32.73, \
Lipid ID=, KEGG ID= ]", ""}}, {986.6337, 12.798241, "Meta"} -> 
    {{491679, 1, 1}, {"", ""}}, {483.3767, 12.801028, "Meta"} -> 
    {{80378, 79434, 1}, {"", ""}}, {466.3504, 12.800827, "Meta"} -> 
    {{127457, 96668, 130326}, {"", ""}}, {515.2983, 12.801221, "Meta"} -> 
    {{3392800, 356011, 457885}, {"", ""}}, {272.1993, 12.802755, "Meta"} -> 
    {{1, 229440, 261679}, {"3-methyl-tetradecanedioic acid [ C15 H28 O4, \
db=87.86, overall=43.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {1002.6305, 12.8012295, "Meta"} -> {{59877, 1, 46255}, {"", ""}}, 
   {1024.5826, 12.804735, "Meta"} -> {{396597, 1, 1}, {"", ""}}, 
   {591.2919, 12.809055, "Meta"} -> {{233961, 79173, 122491}, 
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   {605.2795, 13.091028, "Meta"} -> {{154640, 70517, 111461}, {"", ""}}, 
   {413.1753, 13.097616, "Meta"} -> {{1, 74863, 56513}, 
     {"6-HydroxyKetanserinol [ C22 H24 F N3 O4, db=69.07, overall=34.54, KEGG \
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   {368.1178, 13.0997505, "Meta"} -> {{232730, 889545, 441383}, {"", ""}}, 
   {428.1498, 13.105187, "Meta"} -> {{15169, 197054, 139329}, {"", ""}}, 
   {884.5686, 13.102304, "Meta"} -> {{124155, 145890, 123676}, {"", ""}}, 
   {879.6129, 13.101585, "Meta"} -> {{125829, 155097, 148953}, 
     {"C22-OH Sulfatide [ C46 H89 N O12 S, db=91.18, overall=45.59, Lipid \
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    {{326982, 1, 41555}, {"", ""}}, {1014.6646, 13.105733, "Meta"} -> 
    {{8849580, 570863, 801859}, {"", ""}}, {2091.276, 13.119568, "Meta"} -> 
    {{654091, 1, 32759}, {"", ""}}, {2586.6094, 13.117457, "Meta"} -> 
    {{299883, 1, 1}, {"", ""}}, {1577.9615, 13.126093, "Meta"} -> 
    {{140464, 49510, 67964}, {"", ""}}, {2067.2766, 13.130343, "Meta"} -> 
    {{311140, 376847, 28815}, {"", ""}}, {1002.6651, 13.114072, "Meta"} -> 
    {{209321, 1, 1}, {"", ""}}, {1571.945, 13.118097, "Meta"} -> 
    {{318734, 81372, 1}, {"", ""}}, {1586.915, 13.117623, "Meta"} -> 
    {{1, 21735, 31493}, {"", ""}}, {1052.6125, 13.115471, "Meta"} -> 
    {{790860, 184497, 220728}, {"", ""}}, {495.3321, 13.115849, "Meta"} -> 
    {{2.45*^7, 1, 5719499}, {"", ""}}, {1547.9456, 13.121827, "Meta"} -> 
    {{218795, 31861, 42157}, {"", ""}}, {533.28, 13.1384115, "Meta"} -> 
    {{1192749, 231057, 257116}, {"", ""}}, {1028.6132, 13.119733, "Meta"} -> 
    {{1, 1, 41674}, {"", ""}}, {507.3327, 13.120777, "Meta"} -> 
    {{2934574, 616244, 776898}, {"", ""}}, {923.6393, 13.128447, "Meta"} -> 
    {{95734, 113545, 96080}, {"", ""}}, {369.2878, 13.135938, "Meta"} -> 
    {{36500, 31878, 41865}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, \
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   {517.3146, 13.141578, "Meta"} -> {{2176183, 911288, 1019271}, 
     {"Linolenoyl lysolecithin [ C26 H48 N O7 P, db=71.36, overall=35.68, \
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   {280.2016, 13.128001, "Meta"} -> {{1, 51793, 55096}, 
     {"12S-HHTrE [ C17 H28 O3, db=67.26, overall=33.63, KEGG ID=, CAS ID= ]", 
      ""}}, {928.5947, 13.129972, "Meta"} -> {{110646, 99336, 99379}, 
     {"", ""}}, {593.3067, 13.134848, "Meta"} -> {{258206, 1, 95679}, 
     {"", ""}}, {541.4191, 13.125042, "Meta"} -> {{1, 79567, 70121}, 
     {"", ""}}, {374.2433, 13.145103, "Meta"} -> {{49625, 76100, 70457}, 
     {"Digitoxigenin [ C23 H34 O4, db=51.93, overall=25.96, KEGG ID=, CAS \
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    {{87160, 351250, 142807}, {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 \
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   {967.665, 13.152544, "Meta"} -> {{72736, 108231, 80065}, {"", ""}}, 
   {859.5254, 13.156605, "Meta"} -> {{130537, 28146, 38912}, {"", ""}}, 
   {284.235, 13.1601715, "Meta"} -> {{210278, 1, 47331}, 
     {"2-oxo-heptadecanoic acid [ C17 H32 O3, db=99.17, overall=49.59, Lipid \
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    {{94409, 88966, 65109}, {"", ""}}, {415.1816, 13.160233, "Meta"} -> 
    {{76416, 1, 18243}, 
     {"Pro His Tyr [ C20 H25 N5 O5, db=56.87, overall=28.44 ]", ""}}, 
   {400.2138, 13.160443, "Meta"} -> {{182662, 36026, 46911}, 
     {"Trp Pro Val [ C21 H28 N4 O4, db=73.29, overall=36.65 ]", ""}}, 
   {360.0762, 13.162133, "Meta"} -> {{23785, 43731, 49917}, {"", ""}}, 
   {418.1866, 13.1605, "Meta"} -> {{69532, 1, 15268}, 
     {"Trp Val Asp [ C20 H26 N4 O6, db=57.27, overall=28.64 ]", ""}}, 
   {302.2457, 13.161195, "Meta"} -> {{3607624, 200375, 209918}, {"", ""}}, 
   {435.2755, 13.168929, "Meta"} -> {{27039, 32328, 22096}, {"", ""}}, 
   {362.278, 13.161973, "Meta"} -> {{99440, 62228, 64321}, {"", ""}}, 
   {460.2394, 13.160829, "Meta"} -> {{42302, 19535, 21864}, 
     {"Gln Lys Trp [ C22 H32 N6 O5, db=47.45, overall=23.72 ]", ""}}, 
   {658.292, 13.164111, "Meta"} -> {{46571, 40514, 36878}, {"", ""}}, 
   {210.198, 13.161266, "Meta"} -> {{44852, 1, 14829}, 
     {"9R-(2-cyclopentenyl)-1-nonanol [ C14 H26 O, db=83.48, overall=41.74, \
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    {{28280, 1, 1}, {"", ""}}, {477.3214, 13.175605, "Meta"} -> 
    {{162339, 149016, 158591}, {"", ""}}, {565.3712, 13.168832, "Meta"} -> 
    {{1, 115071, 91923}, {"GPEtn(13:0/10:0)[U] [ C28 H56 N O8 P, db=59.24, \
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   {568.4186, 13.170556, "Meta"} -> {{1, 40847, 167838}, {"", ""}}, 
   {585.4455, 13.17, "Meta"} -> {{107439, 142937, 121037}, {"", ""}}, 
   {396.2874, 13.171314, "Meta"} -> {{23172, 185479, 187469}, 
     {"PGF2alpha isopropyl ester [ C23 H40 O5, db=85.31, overall=42.65, Lipid \
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    {{1, 204610, 196854}, {"", ""}}, {413.3138, 13.174972, "Meta"} -> 
    {{61099, 58561, 61551}, {"", ""}}, {566.2211, 13.179689, "Meta"} -> 
    {{14073, 13625, 1}, {"", ""}}, {491.2329, 13.180776, "Meta"} -> 
    {{74507, 45332, 42628}, 
     {"Trp Met Arg [ C22 H33 N7 O4 S, db=87.08, overall=43.54 ]", ""}}, 
   {453.2857, 13.181751, "Meta"} -> {{2374217, 848377, 820528}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=99.55, overall=49.78, Lipid \
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    {{20055, 18669, 1}, {"", ""}}, {629.4713, 13.1857195, "Meta"} -> 
    {{167135, 238648, 196039}, {"", ""}}, {612.4449, 13.182668, "Meta"} -> 
    {{209028, 298696, 255845}, {"", ""}}, {465.3219, 13.180713, "Meta"} -> 
    {{43306, 1, 81587}, {"", ""}}, {583.3639, 13.184667, "Meta"} -> 
    {{1, 62076, 54719}, {"", ""}}, {527.3017, 13.189112, "Meta"} -> 
    {{1, 160291, 144589}, {"", ""}}, {986.5672, 13.191906, "Meta"} -> 
    {{104428, 25292, 27396}, {"", ""}}, {948.6178, 13.197943, "Meta"} -> 
    {{523086, 31468, 39571}, {"", ""}}, {656.4712, 13.201724, "Meta"} -> 
    {{240792, 391278, 343779}, {"", ""}}, {673.4978, 13.204778, "Meta"} -> 
    {{190087, 319721, 261490}, {"", ""}}, {1481.8986, 13.193931, "Meta"} -> 
    {{52477, 1, 1}, {"", ""}}, {1052.6062, 13.280134, "Meta"} -> 
    {{35584, 104934, 112293}, {"", ""}}, {1977.24, 13.196, "Meta"} -> 
    {{64567, 1, 1}, {"", ""}}, {974.6362, 13.249577, "Meta"} -> 
    {{135663, 32296, 247628}, {"", ""}}, {1104.696, 13.221923, "Meta"} -> 
    {{1, 27990, 22730}, {"", ""}}, {2472.564, 13.195778, "Meta"} -> 
    {{101917, 1, 1}, {"", ""}}, {700.4977, 13.235683, "Meta"} -> 
    {{257347, 474613, 388500}, {"1,2-dioleoyl-sn-Glycero-3-Phosphate [ C39 \
H73 O8 P, db=64.16, overall=32.08, KEGG ID=, CAS ID= ]", ""}}, 
   {503.3012, 13.232915, "Meta"} -> {{77185, 139036, 114225}, {"", ""}}, 
   {717.5241, 13.237333, "Meta"} -> {{224050, 386350, 322635}, 
     {"GPEtn(18:0/18:1(11Z)) [ C39 H76 N O8 P, db=62.66, overall=31.33, Lipid \
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    {{114315, 145195, 1}, {"", ""}}, {462.2955, 13.254001, "Meta"} -> 
    {{78520, 1, 1}, {"", ""}}, {2003.3011, 13.2253895, "Meta"} -> 
    {{283123, 459464, 351947}, {"", ""}}, {2993.9556, 13.221577, "Meta"} -> 
    {{93430, 46581, 1}, {"", ""}}, {2034.2473, 13.227414, "Meta"} -> 
    {{600649, 1, 253171}, {"", ""}}, {517.302, 13.225831, "Meta"} -> 
    {{29779, 47103, 1}, {"", ""}}, {2019.2783, 13.228057, "Meta"} -> 
    {{1306288, 454381, 681181}, {"", ""}}, {1099.6038, 13.232703, "Meta"} -> 
    {{30721, 14863, 18340}, {"", ""}}, {1028.6134, 13.241438, "Meta"} -> 
    {{1981799, 1664454, 1817948}, {"", ""}}, {2514.61, 13.227503, "Meta"} -> 
    {{1107530, 286487, 442522}, {"", ""}}, {2529.5806, 13.227321, "Meta"} -> 
    {{492518, 63807, 109692}, {"", ""}}, {1523.9456, 13.230223, "Meta"} -> 
    {{1307087, 541672, 700534}, {"", ""}}, {3009.9429, 13.227229, "Meta"} -> 
    {{748338, 65118, 138011}, {"", ""}}, {1508.4799, 13.223558, "Meta"} -> 
    {{142185, 26436, 58972}, {"", ""}}, {1507.9799, 13.227895, "Meta"} -> 
    {{1, 344469, 590786}, {"", ""}}, {537.2731, 13.229601, "Meta"} -> 
    {{1, 29542, 33596}, {"", ""}}, {458.2412, 13.234296, "Meta"} -> 
    {{32477, 38438, 36386}, 
     {"His Phe Arg [ C21 H30 N8 O4, db=67.47, overall=33.73 ]", ""}}, 
   {2037.2556, 13.228621, "Meta"} -> {{559800, 1, 163064}, {"", ""}}, 
   {1043.581, 13.234543, "Meta"} -> {{652136, 1, 342778}, {"", ""}}, 
   {611.2766, 13.222031, "Meta"} -> {{1, 249060, 204756}, 
     {" [ C33 H41 N O10, db=0.00, overall=26.98, mfg=53.95 ]", ""}}, 
   {1485.998, 13.230372, "Meta"} -> {{6227763, 67560, 145123}, {"", ""}}, 
   {990.6677, 13.217499, "Meta"} -> {{8.03*^7, 7255805, 1}, {"", ""}}, 
   {551.2526, 13.259735, "Meta"} -> {{69011, 204143, 188282}, {"", ""}}, 
   {593.3056, 13.245584, "Meta"} -> {{343599, 814532, 779724}, {"", ""}}, 
   {608.2666, 13.235713, "Meta"} -> {{1, 220817, 300407}, 
     {"Harderoporphyrin [ C35 H36 N4 O6, db=75.75, overall=37.88, HMP \
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    {{79502, 22036, 29688}, {"", ""}}, {664.2918, 13.251393, "Meta"} -> 
    {{56779, 139901, 146969}, {"", ""}}, {617.268, 13.263249, "Meta"} -> 
    {{68792, 141726, 96710}, {"", ""}}, {577.3247, 13.24794, "Meta"} -> 
    {{140137, 128839, 140205}, {"dihydro-alpha-ergocryptine [ C32 H43 N5 O5, \
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   {548.2549, 13.230686, "Meta"} -> {{40276, 116366, 108094}, {"", ""}}, 
   {495.334, 13.239806, "Meta"} -> {{1.27*^8, 5.19*^7, 7.6*^7}, {"", ""}}, 
   {533.2802, 13.268294, "Meta"} -> {{1389742, 1572950, 1901007}, {"", ""}}, 
   {3057.94, 13.1547, "Meta"} -> {{45028, 60984, 111838}, {"", ""}}, 
   {962.6697, 13.260241, "Meta"} -> {{42802, 1, 21089}, {"", ""}}, 
   {1064.682, 13.263082, "Meta"} -> {{1513631, 1172308, 835251}, {"", ""}}, 
   {1102.6263, 13.27864, "Meta"} -> {{91514, 159157, 51360}, {"", ""}}, 
   {744.5235, 13.261028, "Meta"} -> {{309233, 487309, 403748}, {"", ""}}, 
   {1597.961, 13.264, "Meta"} -> {{1, 127635, 79778}, {"", ""}}, 
   {761.5504, 13.260917, "Meta"} -> {{263021, 414363, 339698}, {"", ""}}, 
   {607.2963, 13.30425, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {2579.5986, 13.264463, "Meta"} -> {{89997, 1, 53904}, {"", ""}}, 
   {1603.9698, 13.194346, "Meta"} -> {{103008, 99127, 39958}, {"", ""}}, 
   {2570.6394, 13.279125, "Meta"} -> {{107251, 1, 111831}, {"", ""}}, 
   {2564.6238, 13.272265, "Meta"} -> {{385721, 1, 181986}, {"", ""}}, 
   {569.3485, 13.265197, "Meta"} -> {{1438764, 2272980, 2418164}, {"", ""}}, 
   {1016.6811, 13.266749, "Meta"} -> {{4567213, 557651, 789006}, {"", ""}}, 
   {2069.2927, 13.277966, "Meta"} -> {{436735, 1, 231193}, {"", ""}}, 
   {1549.9583, 13.273215, "Meta"} -> {{182932, 1, 128769}, {"", ""}}, 
   {253.2404, 13.272541, "Meta"} -> {{1, 1000643, 912808}, {"", ""}}, 
   {1054.6241, 13.305807, "Meta"} -> {{154024, 116701, 150425}, {"", ""}}, 
   {2614.6387, 13.283346, "Meta"} -> {{351878, 60863, 112852}, {"", ""}}, 
   {1573.9609, 13.280412, "Meta"} -> {{405946, 1, 277510}, {"", ""}}, 
   {810.532, 13.281161, "Meta"} -> {{269687, 1, 1}, 
     {"GPIns(16:0/16:0) [ C41 H79 O13 P, db=64.98, overall=32.49, Lipid \
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    {{1, 1, 94623}, {"", ""}}, {805.5764, 13.280774, "Meta"} -> 
    {{1, 405297, 345555}, {"GPSer(18:0/19:0)[U] [ C43 H84 N O10 P, db=65.55, \
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   {1136.6779, 13.288575, "Meta"} -> {{102544, 36205, 52116}, {"", ""}}, 
   {1040.6799, 13.284514, "Meta"} -> {{1.7*^7, 1, 2774036}, {"", ""}}, 
   {1579.9836, 13.29087, "Meta"} -> {{1, 101657, 1}, {"", ""}}, 
   {1062.664, 13.296707, "Meta"} -> {{1431081, 1033410, 1}, {"", ""}}, 
   {2119.3076, 13.245101, "Meta"} -> {{55720, 145612, 189686}, {"", ""}}, 
   {1599.9738, 13.3018055, "Meta"} -> {{1, 1, 78921}, {"", ""}}, 
   {1063.1641, 13.296844, "Meta"} -> {{87262, 35241, 51585}, {"", ""}}, 
   {1066.6967, 13.293614, "Meta"} -> {{1953420, 52508, 512661}, {"", ""}}, 
   {2134.2778, 13.297467, "Meta"} -> {{187019, 66056, 107486}, {"", ""}}, 
   {467.3375, 13.291593, "Meta"} -> {{1, 122774, 127210}, {"", ""}}, 
   {1096.6024, 13.296208, "Meta"} -> {{1, 87984, 1}, {"", ""}}, 
   {1093.5978, 13.300689, "Meta"} -> {{195004, 99268, 145427}, {"", ""}}, 
   {501.3666, 13.296033, "Meta"} -> {{111027, 183314, 166853}, {"", ""}}, 
   {1092.1475, 13.2980795, "Meta"} -> {{1, 21600, 1}, {"", ""}}, 
   {1078.6298, 13.294057, "Meta"} -> {{856185, 444798, 503969}, {"", ""}}, 
   {1623.9762, 13.299394, "Meta"} -> {{191628, 95171, 1}, {"", ""}}, 
   {1629.9934, 13.309808, "Meta"} -> {{77968, 1, 92526}, {"", ""}}, 
   {849.6027, 13.300112, "Meta"} -> {{286838, 363591, 320892}, {"", ""}}, 
   {1112.6788, 13.280607, "Meta"} -> {{16737, 25599, 1}, {"", ""}}, 
   {545.3477, 13.301525, "Meta"} -> {{2.64*^7, 1.32*^7, 1.55*^7}, {"", ""}}, 
   {832.5762, 13.303964, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {583.2962, 13.30914, "Meta"} -> {{634597, 602298, 645608}, {"", ""}}, 
   {714.3076, 13.313554, "Meta"} -> {{37389, 36119, 40438}, {"", ""}}, 
   {658.283, 13.309391, "Meta"} -> {{96967, 65428, 66296}, {"", ""}}, 
   {598.2697, 13.309324, "Meta"} -> {{74512, 50549, 54014}, {"", ""}}, 
   {601.2686, 13.309152, "Meta"} -> {{126813, 84717, 95770}, {"", ""}}, 
   {567.3305, 13.308373, "Meta"} -> {{2243479, 308297, 1}, {"", ""}}, 
   {876.6023, 13.319311, "Meta"} -> {{324300, 1, 376095}, {"", ""}}, 
   {893.629, 13.319388, "Meta"} -> {{266505, 410817, 344115}, {"", ""}}, 
   {643.3197, 13.312749, "Meta"} -> {{65277, 134254, 166855}, {"", ""}}, 
   {241.2403, 13.322444, "Meta"} -> {{100320, 537433, 393848}, {"", ""}}, 
   {910.6564, 13.324881, "Meta"} -> {{1, 35518, 23466}, {"", ""}}, 
   {1024.6501, 13.330481, "Meta"} -> {{944807, 95373, 1}, {"", ""}}, 
   {282.2558, 13.331113, "Meta"} -> {{60243, 277522, 188019}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=84.52, overall=42.26, Lipid \
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    {{15290, 16963, 17170}, {"", ""}}, {937.6549, 13.335834, "Meta"} -> 
    {{237686, 293409, 243909}, {"", ""}}, {298.2507, 13.336177, "Meta"} -> 
    {{76736, 610221, 479560}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, \
db=80.93, overall=40.46, Lipid ID=, KEGG ID= ]", ""}}, 
   {328.2012, 13.335937, "Meta"} -> {{30682, 176328, 177986}, 
     {"16beta-Hydroxynorgestrel [ C21 H28 O3, db=66.86, overall=33.43, KEGG \
ID=, CAS ID=40915-03-5 ]", "40915-03-5"}}, {330.2165, 13.35646, "Meta"} -> 
    {{15812, 91986, 57981}, {"Gestodene metabolite 2 [ C21 H30 O3, db=61.17, \
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    {{4515113, 1346038, 1351226}, {"GPEtn(18:1(9Z)/0:0) [ C23 H46 N O7 P, \
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   {528.3661, 13.33408, "Meta"} -> {{169672, 1, 1}, {"", ""}}, 
   {328.2613, 13.336803, "Meta"} -> {{238145, 200880, 260823}, {"", ""}}, 
   {517.2493, 13.338251, "Meta"} -> {{135150, 82576, 76183}, {"", ""}}, 
   {1250.794, 13.402483, "Meta"} -> {{37486, 1, 1}, {"", ""}}, 
   {479.8187, 13.336802, "Meta"} -> {{21361, 51150, 43223}, {"", ""}}, 
   {388.2939, 13.338266, "Meta"} -> {{13406, 1, 1}, 
     {"1alpha-hydroxy-21-nor-20-oxavitamin D3 / \
1alpha-hydroxy-21-nor-20-oxacholecalciferol [ C25 H40 O3, db=40.90, \
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   {947.6221, 13.3417425, "Meta"} -> {{34049, 74657, 75172}, {"", ""}}, 
   {301.2679, 13.337848, "Meta"} -> {{46423, 212366, 127390}, {"", ""}}, 
   {284.2354, 13.34189, "Meta"} -> {{119991, 255572, 645628}, 
     {"2-oxo-heptadecanoic acid [ C17 H32 O3, db=85.71, overall=42.86, Lipid \
ID=, KEGG ID= ]", ""}}, {430.3079, 13.34614, "Meta"} -> 
    {{86685, 695529, 513929}, {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=95.43, \
overall=47.71, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {577.27, 13.340281, "Meta"} -> {{34258, 36499, 32483}, 
     {" [ C33 H39 N O8, db=0.00, overall=34.88, mfg=69.77 ]", ""}}, 
   {986.6369, 13.352861, "Meta"} -> {{224934, 291569, 165886}, {"", ""}}, 
   {981.6806, 13.352666, "Meta"} -> {{170886, 157608, 178271}, {"", ""}}, 
   {533.3479, 13.338459, "Meta"} -> {{89438, 1, 57098}, {"", ""}}, 
   {1000.6504, 13.355293, "Meta"} -> {{736319, 1, 1}, {"", ""}}, 
   {1599.9753, 13.409709, "Meta"} -> {{35176, 21997, 33723}, {"", ""}}, 
   {268.2401, 13.405736, "Meta"} -> {{171804, 1043136, 870619}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=99.54, overall=49.77, Lipid \
ID=LMFA01030060, KEGG ID= ]", ""}}, {589.4191, 13.370656, "Meta"} -> 
    {{160423, 246341, 200441}, {"", ""}}, {523.8448, 13.3705, "Meta"} -> 
    {{1, 72633, 54038}, {"", ""}}, {594.3745, 13.370138, "Meta"} -> 
    {{136848, 215567, 177622}, {"7,8-Didehydroastaxanthin [ C40 H50 O4, \
db=72.83, overall=36.41, Lipid ID=LMPR01070051, KEGG ID= ]", ""}}, 
   {1025.706, 13.367587, "Meta"} -> {{154835, 270890, 215200}, {"", ""}}, 
   {1581.9897, 13.412071, "Meta"} -> {{46156, 45810, 1}, {"", ""}}, 
   {1625.9843, 13.380572, "Meta"} -> {{239079, 1, 1}, {"", ""}}, 
   {1016.6811, 13.3736105, "Meta"} -> {{6083093, 229653, 557385}, {"", ""}}, 
   {545.8579, 13.391934, "Meta"} -> {{24149, 88325, 54945}, {"", ""}}, 
   {1041.1667, 13.452554, "Meta"} -> {{92692, 1, 28847}, {"", ""}}, 
   {2618.6714, 13.380218, "Meta"} -> {{335873, 1, 40622}, {"", ""}}, 
   {1538.0292, 13.379565, "Meta"} -> {{315382, 1, 26109}, {"", ""}}, 
   {2123.34, 13.399669, "Meta"} -> {{1136664, 162138, 296808}, {"", ""}}, 
   {1586.5278, 13.398274, "Meta"} -> {{1, 1, 11910}, {"", ""}}, 
   {1065.18, 13.404373, "Meta"} -> {{271137, 45472, 80625}, {"", ""}}, 
   {1564.0461, 13.391882, "Meta"} -> {{1519640, 1, 173049}, {"", ""}}, 
   {1042.6969, 13.392434, "Meta"} -> {{4.92*^7, 1, 3436139}, {"", ""}}, 
   {2138.309, 13.398957, "Meta"} -> {{809121, 98415, 1}, {"", ""}}, 
   {1586.0273, 13.389183, "Meta"} -> {{555289, 110790, 18216}, {"", ""}}, 
   {543.3173, 13.400834, "Meta"} -> {{208992, 68290, 118983}, {"", ""}}, 
   {1211.6556, 13.401071, "Meta"} -> {{79522, 1, 1}, {"", ""}}, 
   {1601.9927, 13.398812, "Meta"} -> {{1319702, 1, 352219}, {"", ""}}, 
   {1098.6179, 13.403186, "Meta"} -> {{1, 144544, 196902}, {"", ""}}, 
   {1095.6132, 13.404236, "Meta"} -> {{834681, 189469, 241142}, {"", ""}}, 
   {577.2687, 13.40871, "Meta"} -> {{448809, 166571, 211720}, 
     {" [ C33 H39 N O8, db=0.00, overall=31.75, mfg=63.50 ]", ""}}, 
   {559.2963, 13.411333, "Meta"} -> {{3340487, 1596815, 1870305}, {"", ""}}, 
   {634.2827, 13.409872, "Meta"} -> {{472229, 1, 231503}, 
     {"Rescinnamine [ C35 H42 N2 O9, db=64.05, overall=32.02, KEGG ID=C06540, \
CAS ID=24815-24-5 ]", "24815-24-5"}}, {563.2894, 13.41376, "Meta"} -> 
    {{1, 27404, 34946}, {"", ""}}, {574.2699, 13.414751, "Meta"} -> 
    {{310612, 116850, 128544}, {"", ""}}, {521.3495, 13.403557, "Meta"} -> 
    {{1.14*^8, 3.73*^7, 3.77*^7}, {"", ""}}, {637.2891, 13.414482, "Meta"} -> 
    {{101908, 1, 96928}, {"", ""}}, {1118.7146, 13.412797, "Meta"} -> 
    {{87939, 96620, 79281}, {"", ""}}, {619.3223, 13.421804, "Meta"} -> 
    {{593863, 526010, 638577}, {"", ""}}, {633.4451, 13.413411, "Meta"} -> 
    {{156088, 264502, 206727}, {"", ""}}, {603.3438, 13.414715, "Meta"} -> 
    {{54982, 80292, 99008}, {"", ""}}, {2560.632, 13.427743, "Meta"} -> 
    {{1, 1, 72752}, {"", ""}}, {543.3295, 13.437201, "Meta"} -> 
    {{1.93*^7, 1, 8713826}, {"Arachidonyl lysolecithin [ C28 H50 N O7 P, \
db=68.32, overall=34.16, KEGG ID=, CAS ID=63163-02-0 ]", "63163-02-0"}}, 
   {1135.743, 13.422143, "Meta"} -> {{1, 92951, 64088}, {"", ""}}, 
   {690.3105, 13.4258585, "Meta"} -> {{197244, 110002, 131746}, {"", ""}}, 
   {1501.9677, 13.427439, "Meta"} -> {{49451, 34439, 47727}, {"", ""}}, 
   {2039.2827, 13.429742, "Meta"} -> {{73576, 50371, 65374}, {"", ""}}, 
   {958.6393, 13.429195, "Meta"} -> {{331105, 245452, 330789}, {"", ""}}, 
   {1162.74, 13.429583, "Meta"} -> {{62552, 54965, 39596}, {"", ""}}, 
   {1517.9358, 13.433, "Meta"} -> {{86574, 61902, 78261}, {"", ""}}, 
   {346.283, 13.424243, "Meta"} -> {{1, 131440, 1}, {"", ""}}, 
   {475.2383, 13.436575, "Meta"} -> {{1, 61377, 65539}, {"", ""}}, 
   {996.5873, 13.434169, "Meta"} -> {{79582, 116677, 175554}, {"", ""}}, 
   {437.2908, 13.436001, "Meta"} -> {{1279953, 1808505, 1508351}, {"", ""}}, 
   {1174.8127, 13.437468, "Meta"} -> {{25017, 51476, 33957}, 
     {"Ganglioside GA2 (d18:1/24:1(15Z)) [ C62 H114 N2 O18, db=63.68, \
overall=31.84, HMP ID=HMDB04894, KEGG ID= ]", ""}}, 
   {356.2326, 13.443095, "Meta"} -> {{25065, 106198, 105840}, 
     {"Estradiol valerate [ C23 H32 O3, db=76.14, overall=38.07, Lipid \
ID=LMST02010039, KEGG ID=C12859 ]", ""}}, {286.2508, 13.444126, "Meta"} -> 
    {{181793, 187059, 1}, {"2-hydroxy-heptadecanoic acid [ C17 H34 O3, \
db=69.59, overall=34.80, Lipid ID=, KEGG ID= ]", ""}}, 
   {682.4267, 13.444629, "Meta"} -> {{125068, 196881, 162277}, {"", ""}}, 
   {660.4455, 13.46008, "Meta"} -> {{1, 52649, 34383}, {"", ""}}, 
   {677.4712, 13.445686, "Meta"} -> {{139291, 271764, 216548}, {"", ""}}, 
   {1589.9924, 13.468614, "Meta"} -> {{277119, 1, 1}, {"", ""}}, 
   {582.434, 13.44971, "Meta"} -> {{1, 58953, 1}, {"", ""}}, 
   {1201.8121, 13.446374, "Meta"} -> {{37463, 1, 25074}, {"", ""}}, 
   {1218.8394, 13.450121, "Meta"} -> {{1, 44238, 30682}, {"", ""}}, 
   {643.4868, 13.455331, "Meta"} -> {{90572, 109759, 94064}, {"", ""}}, 
   {787.504, 13.456806, "Meta"} -> {{781235, 280202, 252963}, {"", ""}}, 
   {360.1684, 13.446973, "Meta"} -> {{62932, 81257, 65930}, {"", ""}}, 
   {298.2508, 13.4529085, "Meta"} -> {{65763, 438674, 293249}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=76.83, overall=38.42, \
Lipid ID=, KEGG ID= ]", ""}}, {328.1422, 13.449487, "Meta"} -> 
    {{177798, 264729, 1}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=59.63, overall=29.81 ]", ""}}, 
   {626.4605, 13.455713, "Meta"} -> {{112338, 126183, 107917}, {"", ""}}, 
   {529.3166, 13.445241, "Meta"} -> {{171652, 1, 1}, {"", ""}}, 
   {298.132, 13.452121, "Meta"} -> {{1, 48017, 48668}, {"", ""}}, 
   {210.1979, 13.462029, "Meta"} -> {{51154, 105415, 79496}, 
     {"9R-(2-cyclopentenyl)-1-nonanol [ C14 H26 O, db=80.27, overall=40.13, \
Lipid ID=, KEGG ID= ]", ""}}, {228.2088, 13.461361, "Meta"} -> 
    {{230621, 495841, 387161}, {"4,8-dimethyl-dodecanoic acid [ C14 H28 O2, \
db=97.16, overall=48.58, KEGG ID=, CAS ID= ]", ""}}, 
   {242.2246, 13.461306, "Meta"} -> {{158116, 277652, 255997}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=84.34, overall=42.17, KEGG ID=, \
CAS ID= ]", ""}}, {326.1768, 13.462116, "Meta"} -> 
    {{105078, 229919, 166385}, {"", ""}}, {386.1997, 13.462514, "Meta"} -> 
    {{59624, 143020, 117792}, {"Sufentanil [ C22 H30 N2 O2 S, db=68.01, \
overall=34.01, KEGG ID=C08022, CAS ID=56030-54-7 ]", "56030-54-7"}}, 
   {1262.8665, 13.464781, "Meta"} -> {{26829, 53148, 45232}, {"", ""}}, 
   {373.1689, 13.462395, "Meta"} -> {{47105, 77663, 56689}, {"", ""}}, 
   {687.5133, 13.464694, "Meta"} -> {{177802, 205137, 171295}, {"", ""}}, 
   {670.4869, 13.464749, "Meta"} -> {{223229, 245754, 209322}, {"", ""}}, 
   {282.2192, 13.465608, "Meta"} -> {{95188, 142115, 152863}, 
     {"12S-hydroxy-16-heptadecynoic acid [ C17 H30 O3, db=84.60, \
overall=42.30, Lipid ID=, KEGG ID= ]", ""}}, {889.4821, 13.472444, "Meta"} -> 
    {{78327, 1, 1}, {"", ""}}, {1068.6482, 13.486214, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {294.2173, 13.475067, "Meta"} -> 
    {{31325, 52347, 41572}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, \
db=67.17, overall=33.58, Lipid ID=, KEGG ID= ]", ""}}, 
   {721.4973, 13.473999, "Meta"} -> {{116489, 241915, 180826}, {"", ""}}, 
   {322.2483, 13.518925, "Meta"} -> {{1, 163148, 247211}, 
     {"5(S)-HETrE [ C20 H34 O3, db=45.60, overall=22.80, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {714.513, 13.474778, "Meta"} -> 
    {{352056, 381048, 337616}, {"", ""}}, {726.453, 13.474451, "Meta"} -> 
    {{110312, 178050, 1}, {"", ""}}, {731.5396, 13.474721, "Meta"} -> 
    {{287651, 321623, 267358}, {"GPEtnNMe(16:0/18:1(9Z))[U] [ C40 H78 N O8 P, \
db=63.14, overall=31.57, Lipid ID=LMGP02010335, KEGG ID= ]", ""}}, 
   {346.1525, 13.466243, "Meta"} -> {{1, 134121, 91343}, {"", ""}}, 
   {1306.8907, 13.478, "Meta"} -> {{17508, 36992, 22873}, {"", ""}}, 
   {779.9911, 13.482259, "Meta"} -> {{101114, 1, 1}, {"", ""}}, 
   {426.2963, 13.498375, "Meta"} -> {{80915, 43978, 1}, 
     {"GPCho(O-6:0/O-6:0) [ C20 H45 N O6 P, db=69.94, overall=34.97, Lipid \
ID=LMGP01040078, KEGG ID= ]", ""}}, {775.5658, 13.486027, "Meta"} -> 
    {{377778, 425235, 355559}, {"", ""}}, {439.306, 13.489087, "Meta"} -> 
    {{311623, 259848, 273698}, {"", ""}}, {758.539, 13.485962, "Meta"} -> 
    {{547904, 486853, 408124}, {"", ""}}, {368.1336, 13.48364, "Meta"} -> 
    {{35553, 67062, 53602}, {"", ""}}, {283.108, 13.4861145, "Meta"} -> 
    {{77316, 130382, 59590}, {"", ""}}, {648.2967, 13.495222, "Meta"} -> 
    {{29453, 1, 21731}, {"", ""}}, {819.592, 13.497973, "Meta"} -> 
    {{385247, 477963, 409768}, {"", ""}}, {802.5656, 13.49772, "Meta"} -> 
    {{1, 500733, 442257}, {"1-heptadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl\
)-sn-glycero-3-phospho-(1'-rac-glycerol) [ C43 H81 N O10 P, db=70.84, \
overall=35.42, KEGG ID=, CAS ID= ]", ""}}, {479.337, 13.495556, "Meta"} -> 
    {{8162791, 4196142, 5191546}, {"", ""}}, 
   {1165.6327, 13.499093, "Meta"} -> {{207196, 1, 1}, {"", ""}}, 
   {1151.618, 13.505199, "Meta"} -> {{179838, 1, 1}, {"", ""}}, 
   {988.6857, 13.50629, "Meta"} -> {{428061, 1, 21103}, {"", ""}}, 
   {339.2883, 13.506903, "Meta"} -> {{117718, 293675, 304253}, {"", ""}}, 
   {517.285, 13.498918, "Meta"} -> {{175498, 173088, 196119}, {"", ""}}, 
   {765.5234, 13.503918, "Meta"} -> {{89656, 187074, 149585}, {"", ""}}, 
   {1399.899, 13.508409, "Meta"} -> {{1, 44807, 45975}, {"", ""}}, 
   {1050.7004, 13.5051985, "Meta"} -> {{272410, 26034, 21909}, {"", ""}}, 
   {1026.6353, 13.507728, "Meta"} -> {{74910, 1, 21033}, {"", ""}}, 
   {1092.7122, 13.491323, "Meta"} -> {{799144, 34096, 46084}, {"", ""}}, 
   {477.1903, 13.515063, "Meta"} -> {{63897, 103199, 85980}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=52.47, overall=26.23, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {279.2562, 13.510799, "Meta"} -> 
    {{955149, 1715175, 1747561}, {"", ""}}, {1123.622, 13.4977045, "Meta"} -> 
    {{1, 24227, 22349}, {"", ""}}, {598.2433, 13.509795, "Meta"} -> 
    {{46753, 46980, 30858}, {"", ""}}, {846.5917, 13.509481, "Meta"} -> 
    {{557840, 521972, 430733}, {"", ""}}, {863.6182, 13.510503, "Meta"} -> 
    {{468673, 484137, 428930}, {"C22 Sulfatide [ C46 H89 N O11 S, db=87.95, \
overall=43.97, Lipid ID=LMSP06020009, KEGG ID= ]", ""}}, 
   {885.5996, 13.517038, "Meta"} -> {{49397, 63951, 56645}, {"", ""}}, 
   {612.2584, 13.509334, "Meta"} -> {{432307, 420669, 316358}, {"", ""}}, 
   {580.2323, 13.509277, "Meta"} -> {{641557, 629073, 426552}, {"", ""}}, 
   {547.2957, 13.523854, "Meta"} -> {{438675, 43963, 65138}, {"", ""}}, 
   {644.2847, 13.51143, "Meta"} -> {{972647, 943312, 742606}, {"", ""}}, 
   {509.3475, 13.52603, "Meta"} -> {{1.96*^7, 1087550, 1396558}, {"", ""}}, 
   {658.2652, 13.513304, "Meta"} -> {{82801, 71056, 66970}, {"", ""}}, 
   {607.3208, 13.524964, "Meta"} -> {{92105, 1, 1}, {"", ""}}, 
   {907.6449, 13.525166, "Meta"} -> {{546726, 504178, 433124}, 
     {"3-O-Sulfogalactosylceramide [ C48 H93 N O12 S, db=86.45, \
overall=43.23, HMP ID=HMDB00024, KEGG ID= ]", ""}}, 
   {890.6182, 13.524207, "Meta"} -> {{59001, 1, 1}, {"", ""}}, 
   {720.3006, 13.519515, "Meta"} -> {{53206, 45501, 31568}, {"", ""}}, 
   {672.2796, 13.517088, "Meta"} -> {{341471, 321387, 242584}, {"", ""}}, 
   {571.3639, 13.521864, "Meta"} -> {{7199890, 890114, 1236473}, {"", ""}}, 
   {354.2171, 13.571854, "Meta"} -> {{34939, 1, 24207}, 
     {"Levonorgestrel acetate [ C23 H30 O3, db=64.58, overall=32.29, KEGG \
ID=, CAS ID=13732-69-9 ]", "13732-69-9"}}, {814.5046, 13.536868, "Meta"} -> 
    {{86279, 112156, 113281}, {"", ""}}, {809.5497, 13.531092, "Meta"} -> 
    {{60702, 132967, 115133}, {"", ""}}, {734.3164, 13.525888, "Meta"} -> 
    {{141537, 117054, 89769}, {"", ""}}, {299.2825, 13.542036, "Meta"} -> 
    {{110249, 1, 1}, {"3-Dehydrosphinganine [ C18 H37 N O2, db=93.67, \
overall=46.83, KEGG ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {706.3211, 13.528087, "Meta"} -> {{65644, 57605, 41134}, {"", ""}}, 
   {1369.8884, 13.563042, "Meta"} -> {{1, 183312, 49858}, {"", ""}}, 
   {934.6437, 13.537066, "Meta"} -> {{472321, 434132, 391783}, {"", ""}}, 
   {951.6706, 13.535638, "Meta"} -> {{464935, 428213, 369863}, {"", ""}}, 
   {395.3035, 13.538113, "Meta"} -> {{317931, 69740, 56992}, {"", ""}}, 
   {400.2588, 13.538917, "Meta"} -> {{923476, 182103, 227082}, 
     {"Ophiobolin A [ C25 H36 O4, db=54.29, overall=27.15, Lipid \
ID=LMPR01050002, KEGG ID=C09145 ]", ""}}, {452.2451, 13.542232, "Meta"} -> 
    {{218427, 39654, 1}, {"Diphenoxylate [ C30 H32 N2 O2, db=83.13, \
overall=41.56, KEGG ID=C07872, CAS ID=915-30-0 ]", "915-30-0"}}, 
   {354.2765, 13.544889, "Meta"} -> {{6997739, 767700, 1355583}, 
     {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 O4, db=86.35, \
overall=43.17, KEGG ID=, CAS ID= ]", ""}}, {491.2062, 13.533772, "Meta"} -> 
    {{105823, 70113, 1}, 
     {"Tyr Phe Tyr [ C27 H29 N3 O6, db=57.52, overall=28.76 ]", ""}}, 
   {414.3093, 13.543919, "Meta"} -> {{476081, 76325, 111680}, {"", ""}}, 
   {371.3036, 13.545373, "Meta"} -> {{2083285, 279235, 376261}, {"", ""}}, 
   {1000.6522, 13.561621, "Meta"} -> {{1, 482263, 526969}, {"", ""}}, 
   {995.6966, 13.547221, "Meta"} -> {{428502, 429345, 364205}, {"", ""}}, 
   {262.2296, 13.545572, "Meta"} -> {{362497, 70461, 113468}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=92.20, overall=46.10, Lipid \
ID=, KEGG ID= ]", ""}}, {396.2665, 13.645791, "Meta"} -> 
    {{101592, 12374, 1}, {"", ""}}, {508.8397, 13.549695, "Meta"} -> 
    {{98625, 132243, 116112}, {"", ""}}, {1022.6367, 13.552206, "Meta"} -> 
    {{1, 129059, 111571}, {"", ""}}, {267.2559, 13.55222, "Meta"} -> 
    {{183829, 471167, 240909}, {"", ""}}, {853.5758, 13.555092, "Meta"} -> 
    {{45121, 99675, 93520}, {"", ""}}, {501.2539, 13.558999, "Meta"} -> 
    {{42159, 50988, 67053}, {"", ""}}, {858.5316, 13.556654, "Meta"} -> 
    {{1, 83407, 73075}, {"", ""}}, {1028.648, 13.573232, "Meta"} -> 
    {{129087, 19739, 33588}, {"", ""}}, {837.5203, 13.564915, "Meta"} -> 
    {{69524, 37426, 53659}, {"", ""}}, {519.8613, 13.559681, "Meta"} -> 
    {{1, 607946, 536193}, {"", ""}}, {1056.7491, 13.56075, "Meta"} -> 
    {{87800, 126233, 87190}, {"", ""}}, {530.8529, 13.562063, "Meta"} -> 
    {{106078, 165397, 1}, {"", ""}}, {463.3064, 13.56053, "Meta"} -> 
    {{1548591, 1445995, 1724877}, {"", ""}}, {334.1441, 13.569034, "Meta"} -> 
    {{105418, 208667, 168603}, 
     {"Arg Cys Gly [ C11 H22 N6 O4 S, db=50.72, overall=25.36 ]", ""}}, 
   {376.1987, 13.568419, "Meta"} -> {{117347, 291505, 226555}, 
     {"Glu Thr Lys [ C15 H28 N4 O7, db=67.35, overall=33.68 ]", ""}}, 
   {316.1717, 13.568858, "Meta"} -> {{52187, 134458, 111939}, 
     {"Ala Asn Leu [ C13 H24 N4 O5, db=54.09, overall=27.05 ]", ""}}, 
   {278.2244, 13.568999, "Meta"} -> {{735624, 1729215, 1256784}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=86.05, overall=43.02, Lipid \
ID=LMFA01030148, KEGG ID= ]", ""}}, {295.2523, 13.578938, "Meta"} -> 
    {{569478, 633438, 556623}, {"", ""}}, {1088.7043, 13.572557, "Meta"} -> 
    {{287504, 183073, 152621}, {"", ""}}, {1110.6956, 13.577559, "Meta"} -> 
    {{1, 94003, 133384}, {"", ""}}, {960.6902, 13.570629, "Meta"} -> 
    {{63817, 1, 40283}, {"", ""}}, {902.5572, 13.5793, "Meta"} -> 
    {{1, 50912, 50780}, {"", ""}}, {897.6025, 13.580344, "Meta"} -> 
    {{42044, 61905, 58536}, {"", ""}}, {294.2172, 13.592863, "Meta"} -> 
    {{47372, 1, 1}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=68.48, \
overall=34.24, Lipid ID=, KEGG ID= ]", ""}}, {466.3728, 13.589202, "Meta"} -> 
    {{147935, 1, 1}, {"", ""}}, {519.3001, 13.581778, "Meta"} -> 
    {{263388, 181249, 184243}, {"", ""}}, {594.2896, 13.585677, "Meta"} -> 
    {{50091, 1, 37499}, 
     {" [ C33 H42 N2 O8, db=0.00, overall=30.00, mfg=60.00 ]", ""}}, 
   {1132.7306, 13.584446, "Meta"} -> {{203089, 362650, 172538}, {"", ""}}, 
   {481.3526, 13.5835, "Meta"} -> {{1.52*^7, 6073052, 6546178}, 
     {"1-O-Hexadecyl-2-lyso-glycero-3-phosphorylcholine [ C24 H52 N O6 P, \
db=95.41, overall=47.71, KEGG ID=, CAS ID=52691-62-0 ]", "52691-62-0"}}, 
   {579.3257, 13.584827, "Meta"} -> {{143672, 106191, 163998}, {"", ""}}, 
   {421.3402, 13.600849, "Meta"} -> {{470970, 54289, 72543}, {"", ""}}, 
   {364.2589, 13.5994625, "Meta"} -> {{1, 93790, 91110}, 
     {"11-deoxy-16,16-dimethyl-PGE2 [ C22 H36 O4, db=63.57, overall=31.78, \
KEGG ID=, CAS ID= ]", ""}}, {386.3031, 13.601744, "Meta"} -> 
    {{382705, 40078, 64122}, {"", ""}}, {1545.9933, 13.579229, "Meta"} -> 
    {{82420, 73125, 64294}, {"", ""}}, {1176.7563, 13.596857, "Meta"} -> 
    {{149560, 112806, 100529}, {"", ""}}, {404.3139, 13.602781, "Meta"} -> 
    {{2288460, 20837, 256677}, {"", ""}}, {599.8735, 13.598457, "Meta"} -> 
    {{1, 58046, 40948}, {"", ""}}, {946.5852, 13.60276, "Meta"} -> 
    {{1, 26120, 43625}, {"", ""}}, {547.3639, 13.597056, "Meta"} -> 
    {{8796062, 706590, 892421}, {"", ""}}, {941.6301, 13.598959, "Meta"} -> 
    {{1, 45407, 65316}, {"", ""}}, {585.3108, 13.596875, "Meta"} -> 
    {{219594, 1, 45224}, {"", ""}}, {358.2483, 13.611223, "Meta"} -> 
    {{1, 49835, 52496}, {"", ""}}, {312.2663, 13.609001, "Meta"} -> 
    {{1051889, 1, 740621}, {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=91.98, \
overall=45.99, Lipid ID=, KEGG ID= ]", ""}}, {1215.8278, 13.60837, "Meta"} -> 
    {{153866, 422830, 310533}, {"", ""}}, {1220.7823, 13.607741, "Meta"} -> 
    {{104179, 131271, 56925}, {"", ""}}, {1232.8549, 13.610902, "Meta"} -> 
    {{1, 140124, 119322}, {"", ""}}, {451.3062, 13.630885, "Meta"} -> 
    {{130243, 68900, 93203}, {"", ""}}, {773.5247, 13.616361, "Meta"} -> 
    {{41197, 33255, 1}, {"", ""}}, {1264.8105, 13.619029, "Meta"} -> 
    {{86034, 64759, 58911}, {"", ""}}, {993.6999, 13.622969, "Meta"} -> 
    {{45876, 25683, 28975}, {"", ""}}, {629.9261, 13.618459, "Meta"} -> 
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    {{103987, 599586, 465279}, {"3,9,15-Docosatriynoic acid [ C22 H32 O2, \
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    {{33440, 66784, 67152}, {"", ""}}, {1599.0771, 13.82784, "Meta"} -> 
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    {{38186, 83797, 60202}, {"", ""}}, {637.5649, 13.826834, "Meta"} -> 
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    {{323064, 1, 54510}, {"", ""}}, {454.2603, 13.837749, "Meta"} -> 
    {{193219, 33935, 66885}, {"18-acetoxy-PGF2alpha-11-acetate [ C24 H38 O8, \
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   {356.2921, 13.832834, "Meta"} -> {{6232105, 802647, 1309786}, 
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    {{243362, 38600, 91145}, {"", ""}}, {296.2716, 13.837235, "Meta"} -> 
    {{1155509, 1, 1818462}, {"10-methylene-octadecanoic acid [ C19 H36 O2, \
db=78.33, overall=39.16, Lipid ID=, KEGG ID= ]", ""}}, 
   {595.554, 13.834362, "Meta"} -> {{115949, 244810, 278282}, {"", ""}}, 
   {331.3083, 13.839138, "Meta"} -> {{1, 31139, 35141}, {"", ""}}, 
   {1648.0614, 13.838582, "Meta"} -> {{54909, 54404, 52238}, {"", ""}}, 
   {314.2819, 13.838939, "Meta"} -> {{64979, 1151245, 1326937}, 
     {"2-hydroxy-nonadecanoic acid [ C19 H38 O3, db=79.99, overall=40.00, \
Lipid ID=, KEGG ID= ]", ""}}, {359.3394, 13.840835, "Meta"} -> 
    {{18515, 48587, 45152}, {"", ""}}, {550.5438, 13.840639, "Meta"} -> 
    {{43149, 60360, 112587}, {"", ""}}, {345.3232, 13.839605, "Meta"} -> 
    {{1, 19885, 17082}, {"", ""}}, {351.3135, 13.836865, "Meta"} -> 
    {{19681, 1, 15569}, {"Anandamide (20:2, n-6) [ C22 H41 N O2, db=87.77, \
overall=43.88, Lipid ID=LMFA08040002, KEGG ID= ]", ""}}, 
   {589.5048, 13.843435, "Meta"} -> {{79453, 1, 29986}, {"", ""}}, 
   {593.5384, 13.859751, "Meta"} -> {{25495, 20675, 21999}, {"", ""}}, 
   {486.3916, 13.846743, "Meta"} -> {{45326, 120127, 246707}, {"", ""}}, 
   {269.2717, 13.850058, "Meta"} -> {{256929, 397374, 458062}, {"", ""}}, 
   {958.5066, 13.858265, "Meta"} -> {{190342, 1, 22126}, {"", ""}}, 
   {312.2662, 13.867914, "Meta"} -> {{437221, 868179, 1017266}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=84.87, overall=42.44, Lipid \
ID=, KEGG ID= ]", ""}}, {376.1632, 13.867001, "Meta"} -> 
    {{170942, 96874, 67330}, {"", ""}}, {875.5037, 13.871608, "Meta"} -> 
    {{188625, 1, 26538}, {"", ""}}, {807.4806, 13.867861, "Meta"} -> 
    {{2139438, 213402, 272049}, {"", ""}}, {268.2402, 13.870259, "Meta"} -> 
    {{57138, 78093, 73706}, {"9-heptadecylenic acid [ C17 H32 O2, db=81.99, \
overall=40.99, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {360.1681, 13.864379, "Meta"} -> {{70158, 58547, 1}, 
     {"Leu Asn Asp [ C14 H24 N4 O7, db=34.15, overall=17.08 ]", ""}}, 
   {914.4793, 13.871298, "Meta"} -> {{1, 23361, 1}, {"", ""}}, 
   {418.1739, 13.870945, "Meta"} -> {{109470, 159023, 113701}, 
     {"Nimodipine [ C21 H26 N2 O7, db=61.54, overall=30.77, KEGG ID=C07267, \
CAS ID=66085-59-4 ]", "66085-59-4"}}, {662.2484, 13.876678, "Meta"} -> 
    {{62105, 101529, 95704}, {"", ""}}, {1103.5966, 13.872333, "Meta"} -> 
    {{1955283, 1, 1}, {"", ""}}, {346.1531, 13.871804, "Meta"} -> 
    {{691236, 196595, 422996}, {"", ""}}, {390.1788, 13.869486, "Meta"} -> 
    {{384305, 469468, 382970}, 
     {"Asp Lys Glu [ C15 H26 N4 O8, db=62.57, overall=31.29 ]", ""}}, 
   {1153.6309, 13.874, "Meta"} -> {{335675, 1, 1}, {"", ""}}, 
   {328.1421, 13.873054, "Meta"} -> {{316025, 388376, 287390}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=67.54, overall=33.77 ]", ""}}, 
   {357.3227, 13.877501, "Meta"} -> {{1, 23118, 26228}, {"", ""}}, 
   {294.0996, 13.875195, "Meta"} -> {{148062, 166472, 136026}, {"", ""}}, 
   {1135.623, 13.873161, "Meta"} -> {{231890, 1, 1}, {"", ""}}, 
   {239.1157, 13.8723, "Meta"} -> {{28318, 42615, 37384}, {"", ""}}, 
   {1189.6305, 13.875001, "Meta"} -> {{41022, 1, 1}, {"", ""}}, 
   {420.1898, 13.874806, "Meta"} -> {{21871, 1, 19365}, 
     {"Gln His His [ C17 H24 N8 O5, db=42.13, overall=21.06 ]", ""}}, 
   {670.265, 13.873167, "Meta"} -> {{49851, 1336913, 982539}, {"", ""}}, 
   {580.2324, 13.874638, "Meta"} -> {{5883287, 5364473, 4444328}, {"", ""}}, 
   {640.2526, 13.874076, "Meta"} -> {{159127, 1, 118878}, {"", ""}}, 
   {612.2593, 13.875, "Meta"} -> {{4149840, 3666742, 3168840}, {"", ""}}, 
   {644.284, 13.875222, "Meta"} -> {{9468106, 8601264, 6770372}, {"", ""}}, 
   {1180.491, 13.877401, "Meta"} -> {{44210, 39910, 51312}, {"", ""}}, 
   {1254.532, 13.877502, "Meta"} -> {{1, 14678, 1}, {"", ""}}, 
   {864.3481, 13.876028, "Meta"} -> {{166870, 193506, 151367}, {"", ""}}, 
   {282.1003, 13.8762245, "Meta"} -> {{642882, 766421, 602598}, {"", ""}}, 
   {706.3213, 13.875223, "Meta"} -> {{556373, 454224, 351803}, {"", ""}}, 
   {1242.5096, 13.876581, "Meta"} -> {{41063, 37797, 1}, {"", ""}}, 
   {582.2468, 13.8751, "Meta"} -> {{5916115, 6049211, 1}, 
     {"Biliverdin IX [ C33 H34 N4 O6, db=45.81, overall=22.91, HMP \
ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", " 114-25-0"}}, 
   {896.3746, 13.876728, "Meta"} -> {{223504, 174418, 134773}, {"", ""}}, 
   {720.3007, 13.875195, "Meta"} -> {{393892, 305731, 238908}, {"", ""}}, 
   {908.3734, 13.876348, "Meta"} -> {{97131, 80473, 59793}, {"", ""}}, 
   {636.1519, 13.87985, "Meta"} -> {{68892, 79810, 65986}, {"", ""}}, 
   {943.4197, 13.876037, "Meta"} -> {{127562, 91570, 61403}, {"", ""}}, 
   {1192.4886, 13.875974, "Meta"} -> {{818764, 746932, 555584}, {"", ""}}, 
   {1226.5306, 13.877594, "Meta"} -> {{232148, 167176, 1}, {"", ""}}, 
   {314.1267, 13.875557, "Meta"} -> {{790887, 829540, 706063}, {"", ""}}, 
   {748.2959, 13.87564, "Meta"} -> {{160711, 117404, 80639}, {"", ""}}, 
   {734.3167, 13.875916, "Meta"} -> {{1128733, 834302, 631518}, {"", ""}}, 
   {970.4116, 13.876899, "Meta"} -> {{102195, 89750, 56374}, {"", ""}}, 
   {867.3674, 13.8762865, "Meta"} -> {{264162, 243368, 144750}, {"", ""}}, 
   {926.3857, 13.876266, "Meta"} -> {{181954, 1, 126163}, {"", ""}}, 
   {583.2517, 13.87564, "Meta"} -> {{3644970, 2493662, 1972229}, {"", ""}}, 
   {956.396, 13.876835, "Meta"} -> {{100463, 106751, 70492}, {"", ""}}, 
   {676.308, 13.876473, "Meta"} -> {{151781, 121463, 96189}, {"", ""}}, 
   {929.4038, 13.876501, "Meta"} -> {{110477, 1, 70016}, {"", ""}}, 
   {672.2801, 13.875572, "Meta"} -> {{2276919, 1, 1}, {"", ""}}, 
   {493.2209, 13.875945, "Meta"} -> {{317025, 314549, 243658}, {"", ""}}, 
   {658.2643, 13.874903, "Meta"} -> {{444592, 1, 413724}, {"", ""}}, 
   {1151.4832, 13.877482, "Meta"} -> {{35732, 56125, 1}, {"", ""}}, 
   {961.4299, 13.877784, "Meta"} -> {{34317, 30795, 18441}, {"", ""}}, 
   {912.4054, 13.877669, "Meta"} -> {{387791, 293878, 186086}, {"", ""}}, 
   {762.3116, 13.876194, "Meta"} -> {{533139, 429589, 311333}, {"", ""}}, 
   {975.4451, 13.8780365, "Meta"} -> {{56495, 47988, 38817}, {"", ""}}, 
   {509.216, 13.87594, "Meta"} -> {{67975, 72332, 51173}, {"", ""}}, 
   {491.2056, 13.876723, "Meta"} -> {{302298, 337065, 324223}, 
     {"Tyr Phe Tyr [ C27 H29 N3 O6, db=65.06, overall=32.53 ]", ""}}, 
   {881.3826, 13.877259, "Meta"} -> {{46019, 42412, 25279}, {"", ""}}, 
   {1193.664, 13.879387, "Meta"} -> {{334047, 1, 1}, {"", ""}}, 
   {582.7497, 13.876502, "Meta"} -> {{474456, 160668, 179340}, {"", ""}}, 
   {495.208, 13.876967, "Meta"} -> {{48774, 53359, 49728}, 
     {"Trp Tyr Gln [ C25 H29 N5 O6, db=56.92, overall=28.46 ]", ""}}, 
   {616.2538, 13.877678, "Meta"} -> {{130250, 137736, 127205}, {"", ""}}, 
   {479.205, 13.876445, "Meta"} -> {{83477, 81519, 60247}, 
     {"Nicardipine [ C26 H29 N3 O6, db=70.81, overall=35.41, KEGG ID=C07264, \
CAS ID=55985-32-5 ]", "55985-32-5"}}, {878.365, 13.876516, "Meta"} -> 
    {{19453, 21932, 14294}, {"", ""}}, {567.2211, 13.876649, "Meta"} -> 
    {{184011, 186543, 117426}, {"", ""}}, {644.7861, 13.877095, "Meta"} -> 
    {{26133, 19295, 14643}, {"", ""}}, {461.195, 13.876152, "Meta"} -> 
    {{34770, 35655, 26236}, 
     {"Gln Trp Glu [ C21 H27 N5 O7, db=34.78, overall=17.39 ]", ""}}, 
   {298.1317, 13.878472, "Meta"} -> {{773060, 858431, 648240}, {"", ""}}, 
   {352.1394, 13.880392, "Meta"} -> {{44395, 60129, 40163}, 
     {"Asn Tyr Gly [ C15 H20 N4 O6, db=68.82, overall=34.41 ]", ""}}, 
   {284.1158, 13.879252, "Meta"} -> {{355692, 513973, 400140}, {"", ""}}, 
   {477.1898, 13.879307, "Meta"} -> {{203131, 285947, 292884}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=74.18, overall=37.09, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {833.4963, 13.885234, "Meta"} -> 
    {{178344, 1, 37070}, {"", ""}}, {1045.5562, 13.8920965, "Meta"} -> 
    {{26303, 1, 1}, {"", ""}}, {1095.5912, 13.892453, "Meta"} -> 
    {{38630, 23943, 29384}, {"", ""}}, {1048.5735, 13.892926, "Meta"} -> 
    {{50332, 18214, 16630}, {"", ""}}, {779.4516, 13.885543, "Meta"} -> 
    {{48046, 1, 1}, {"", ""}}, {918.6492, 13.8966, "Meta"} -> 
    {{344341, 317609, 290109}, {"", ""}}, {935.6756, 13.895752, "Meta"} -> 
    {{287764, 286883, 246352}, {"", ""}}, {891.6496, 13.895306, "Meta"} -> 
    {{215817, 206916, 195330}, {"C24 Sulfatide [ C48 H93 N O11 S, db=88.42, \
overall=44.21, Lipid ID=LMSP06020013, KEGG ID= ]", ""}}, 
   {749.4387, 13.89454, "Meta"} -> {{45575, 30922, 1}, {"", ""}}, 
   {830.5967, 13.895909, "Meta"} -> {{167957, 191678, 151415}, {"", ""}}, 
   {847.6232, 13.896607, "Meta"} -> {{146099, 133581, 120381}, {"", ""}}, 
   {979.702, 13.896585, "Meta"} -> {{354666, 330747, 287197}, {"", ""}}, 
   {1050.7274, 13.9000435, "Meta"} -> {{48576, 1, 21992}, {"", ""}}, 
   {1028.6847, 13.898851, "Meta"} -> {{399635, 1, 1}, {"", ""}}, 
   {984.6579, 13.897518, "Meta"} -> {{19347, 398511, 1}, {"", ""}}, 
   {1023.7278, 13.898656, "Meta"} -> {{375889, 356027, 295009}, {"", ""}}, 
   {962.6753, 13.896331, "Meta"} -> {{394441, 36409, 308025}, {"", ""}}, 
   {803.597, 13.898972, "Meta"} -> {{76338, 91385, 75665}, {"", ""}}, 
   {1006.7014, 13.900152, "Meta"} -> {{1, 367783, 318457}, {"", ""}}, 
   {1067.7542, 13.901264, "Meta"} -> {{362724, 350538, 308087}, {"", ""}}, 
   {1094.7538, 13.901059, "Meta"} -> {{50632, 28902, 280145}, {"", ""}}, 
   {465.3222, 13.902696, "Meta"} -> {{2383005, 843973, 1137779}, {"", ""}}, 
   {1138.7803, 13.90453, "Meta"} -> {{346188, 1, 232032}, {"", ""}}, 
   {478.8288, 13.901231, "Meta"} -> {{1, 34823, 28333}, {"", ""}}, 
   {996.7292, 13.904589, "Meta"} -> {{49317, 57875, 47062}, 
     {"TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,\
13Z,16Z,19Z))[iso3] [ C67 H96 O6, db=48.00, overall=24.00, Lipid \
ID=LMGL03012576, KEGG ID= ]", ""}}, {1160.7618, 13.905588, "Meta"} -> 
    {{1, 1, 93272}, {"", ""}}, {503.2691, 13.903366, "Meta"} -> 
    {{71639, 28246, 38579}, {"", ""}}, {522.8552, 13.904035, "Meta"} -> 
    {{101565, 110523, 98921}, {"", ""}}, {1001.6842, 13.904192, "Meta"} -> 
    {{83086, 111747, 102245}, {"", ""}}, {511.8639, 13.905617, "Meta"} -> 
    {{20598, 28900, 24869}, {"", ""}}, {544.8687, 13.907429, "Meta"} -> 
    {{130332, 165482, 142053}, {"", ""}}, {489.8508, 13.903928, "Meta"} -> 
    {{1, 17399, 15433}, {"", ""}}, {1050.6691, 13.904042, "Meta"} -> 
    {{1, 148318, 88940}, {"", ""}}, {1040.753, 13.906883, "Meta"} -> 
    {{77791, 109581, 93430}, {"", ""}}, {549.3798, 13.901501, "Meta"} -> 
    {{3403578, 147327, 352217}, {"", ""}}, {555.8901, 13.907157, "Meta"} -> 
    {{40003, 686492, 582821}, {"", ""}}, {1248.8145, 13.916356, "Meta"} -> 
    {{249523, 480658, 180904}, {"", ""}}, {591.8776, 13.913758, "Meta"} -> 
    {{59085, 69710, 63601}, {"", ""}}, {591.3753, 13.914109, "Meta"} -> 
    {{1, 146507, 139055}, {"", ""}}, {1172.8337, 13.914706, "Meta"} -> 
    {{170104, 201296, 175844}, {"", ""}}, {643.9424, 13.918862, "Meta"} -> 
    {{1, 304773, 1}, {"", ""}}, {1243.8593, 13.917862, "Meta"} -> 
    {{633818, 729230, 632653}, {"", ""}}, {1216.8606, 13.917243, "Meta"} -> 
    {{236425, 1, 232925}, {"", ""}}, {1292.8436, 13.918814, "Meta"} -> 
    {{157532, 117649, 97767}, {"", ""}}, {482.3011, 13.906962, "Meta"} -> 
    {{160739, 32229, 39633}, {"", ""}}, {1260.8875, 13.921888, "Meta"} -> 
    {{1, 238390, 222057}, {"", ""}}, {1336.8698, 13.9245, "Meta"} -> 
    {{122831, 131983, 309220}, {"Ganglioside GA1 (d18:1/24:1(15Z)) [ C68 H124 \
N2 O23, db=60.87, overall=30.44, HMP ID=HMDB04906, KEGG ID= ]", ""}}, 
   {1304.9122, 13.925807, "Meta"} -> {{221053, 276241, 252367}, {"", ""}}, 
   {1309.8685, 13.923631, "Meta"} -> {{1, 458905, 1}, {"", ""}}, 
   {1331.9117, 13.925688, "Meta"} -> {{1, 584760, 508556}, {"", ""}}, 
   {1066.7665, 13.906301, "Meta"} -> {{159133, 97366, 207903}, {"", ""}}, 
   {1348.9387, 13.928513, "Meta"} -> {{215970, 250805, 225357}, {"", ""}}, 
   {1380.8955, 13.928842, "Meta"} -> {{148235, 291246, 66611}, {"", ""}}, 
   {442.2608, 13.933564, "Meta"} -> {{173730, 1, 20588}, {"", ""}}, 
   {1375.9377, 13.930394, "Meta"} -> {{461644, 1, 448841}, {"", ""}}, 
   {1392.9644, 13.933, "Meta"} -> {{184086, 224670, 203709}, {"", ""}}, 
   {1424.9208, 13.932688, "Meta"} -> {{90653, 69341, 49055}, {"", ""}}, 
   {1419.9648, 13.935295, "Meta"} -> {{58745, 474289, 1}, {"", ""}}, 
   {344.2923, 13.939112, "Meta"} -> {{5207413, 307492, 531323}, 
     {"1-heptadecanoyl-rac-glycerol [ C20 H40 O4, db=98.52, overall=49.26, \
KEGG ID=, CAS ID=68002-72-2 ]", "68002-72-2"}}, 
   {1468.948, 13.937098, "Meta"} -> {{65867, 209235, 1}, {"", ""}}, 
   {1436.9904, 13.938028, "Meta"} -> {{1, 223566, 181095}, {"", ""}}, 
   {1463.9899, 13.9394865, "Meta"} -> {{362566, 391626, 316336}, {"", ""}}, 
   {466.3654, 13.941461, "Meta"} -> {{524789, 521113, 455451}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=76.50, overall=38.25, \
Lipid ID=LMST01030128, KEGG ID= ]", ""}}, {1481.017, 13.942124, "Meta"} -> 
    {{185596, 1, 181655}, {"", ""}}, {1508.0137, 13.944414, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {222.1615, 13.993, "Meta"} -> 
    {{267391, 30283, 1}, {"", ""}}, {1529.9991, 13.944249, "Meta"} -> 
    {{245769, 286528, 246547}, {"", ""}}, {283.2872, 13.950055, "Meta"} -> 
    {{273497, 497726, 507290}, {"Stearamide [ C18 H37 N O, db=99.52, \
overall=49.76, KEGG ID=, CAS ID=124-26-5 ]", "124-26-5"}}, 
   {1525.0424, 13.947517, "Meta"} -> {{1, 198096, 165434}, {"", ""}}, 
   {386.1755, 13.956785, "Meta"} -> {{22849, 26988, 24198}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=50.71, overall=25.36 ]", ""}}, 
   {1623.0092, 13.9477415, "Meta"} -> {{92961, 115190, 74222}, {"", ""}}, 
   {428.2901, 13.938, "Meta"} -> {{1, 48218, 67436}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=61.60, \
overall=30.80, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {1618.051, 13.949916, "Meta"} -> {{140737, 227556, 139105}, {"", ""}}, 
   {1569.0697, 13.946124, "Meta"} -> {{112724, 25928, 157812}, {"", ""}}, 
   {467.3376, 13.954553, "Meta"} -> {{259516, 61185, 1}, {"", ""}}, 
   {347.2825, 13.963371, "Meta"} -> {{354917, 283163, 235037}, 
     {"(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide [ C22 \
H37 N O2, db=98.13, overall=49.07, KEGG ID=, CAS ID= ]", ""}}, 
   {330.2557, 13.959749, "Meta"} -> {{1, 93707, 422793}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=84.17, \
overall=42.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {1662.0767, 13.946449, "Meta"} -> {{1, 150881, 108057}, {"", ""}}, 
   {510.3319, 13.973654, "Meta"} -> {{86661, 61127, 83462}, 
     {"11-(3-acetoxy-1-propynyl)-1alpha,25-dihydroxy-9,11-didehydrovitamin D3 \
/ 11-(3-acetoxy-1-propynyl)-1 [ C32 H46 O5, db=44.65, overall=22.33, Lipid \
ID=LMST03020511, KEGG ID= ]", ""}}, {452.3502, 13.976595, "Meta"} -> 
    {{169017, 185435, 164567}, {"5beta-Cholestane-3alpha,7alpha,12alpha,25,26\
-pentol [ C27 H48 O5, db=62.10, overall=31.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {1657.1215, 13.958542, "Meta"} -> {{1, 68537, 63777}, {"", ""}}, 
   {1750.128, 13.9647875, "Meta"} -> {{1, 69756, 52561}, {"", ""}}, 
   {220.146, 13.986333, "Meta"} -> {{1, 52558, 47346}, {"", ""}}, 
   {329.2933, 13.898458, "Meta"} -> {{94302, 131603, 205395}, {"", ""}}, 
   {460.3175, 13.9654, "Meta"} -> {{1, 120726, 119062}, 
     {"(24R)-1alpha,24,25,26-tetrahydroxyvitamin D2 / \
(24R)-1alpha,24,25,26-tetrahydroxyergocalciferol [ C28 H44 O5, db=68.24, \
overall=34.12, Lipid ID=LMST03010054, KEGG ID= ]", ""}}, 
   {1745.1743, 13.967287, "Meta"} -> {{1, 45097, 39679}, {"", ""}}, 
   {1701.1473, 13.966741, "Meta"} -> {{75850, 76432, 50500}, {"", ""}}, 
   {402.2765, 13.957289, "Meta"} -> {{37225, 49501, 13336}, 
     {"1alpha-hydroxy-26,27-dinorvitamin D3 25-carboxylic acid / \
1alpha-hydroxy-26,27-dinorcholecalciferol [ C25 H38 O4, db=52.81, \
overall=26.41, Lipid ID=LMST03020025, KEGG ID= ]", ""}}, 
   {440.3505, 13.985816, "Meta"} -> {{510129, 474617, 1}, {"", ""}}, 
   {484.3164, 13.975783, "Meta"} -> {{289567, 186821, 227574}, {"", ""}}, 
   {653.3246, 13.973182, "Meta"} -> {{62239, 14685, 12403}, {"", ""}}, 
   {334.2482, 13.893001, "Meta"} -> {{529515, 1, 1}, 
     {"Tetrahydrodeoxycorticosterone [ C21 H34 O3, db=65.74, overall=32.87, \
HMP ID=HMDB00879, KEGG ID= ]", ""}}, {1319.1475, 13.976606, "Meta"} -> 
    {{35244, 29722, 31073}, {"", ""}}, {386.3394, 13.973793, "Meta"} -> 
    {{318606, 317915, 285065}, {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, \
db=89.09, overall=44.55, KEGG ID=, CAS ID= ]", ""}}, 
   {831.6982, 13.975789, "Meta"} -> {{40248, 40372, 36755}, {"", ""}}, 
   {806.668, 13.976223, "Meta"} -> {{539638, 410933, 341650}, {"", ""}}, 
   {866.6982, 13.981547, "Meta"} -> {{19348, 34072, 43059}, {"", ""}}, 
   {354.2087, 13.977749, "Meta"} -> {{569604, 482422, 454671}, {"", ""}}, 
   {224.1773, 13.974033, "Meta"} -> {{22812, 21034, 20356}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=68.79, overall=34.39, \
Lipid ID=, KEGG ID= ]", ""}}, {270.2557, 13.976111, "Meta"} -> 
    {{730245, 539971, 499640}, {"10-methyl-hexadecanoic acid [ C17 H34 O2, \
db=99.62, overall=49.81, Lipid ID=, KEGG ID= ]", ""}}, 
   {1062.9073, 13.976445, "Meta"} -> {{88966, 64852, 63932}, {"", ""}}, 
   {597.4186, 13.975773, "Meta"} -> {{118703, 106244, 58384}, {"", ""}}, 
   {238.2292, 13.975834, "Meta"} -> {{425253, 317361, 273670}, 
     {"cis-11-Hexadecenal [ C16 H30 O, db=98.78, overall=49.39, KEGG ID=, CAS \
ID=53939-28-9 ]", "53939-28-9"}}, {256.2401, 13.976223, "Meta"} -> 
    {{2470640, 1532744, 1328616}, {"2-propyl-tridecanoic acid [ C16 H32 O2, \
db=86.75, overall=43.37, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2322, 13.97861, "Meta"} -> {{264168, 270936, 261731}, {"", ""}}, 
   {386.2337, 13.980557, "Meta"} -> {{25617, 27805, 22909}, 
     {"1-tridecanoyl-sn-glycero-3-phosphate [ C16 H37 N O7 P, db=38.62, \
overall=19.31, KEGG ID=, CAS ID= ]", ""}}, {568.3997, 13.977068, "Meta"} -> 
    {{130360, 68823, 83422}, {"1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phosph\
ate (ammonium salt) [ C28 H59 N O8 P, db=52.38, overall=26.19, KEGG ID=, CAS \
ID= ]", ""}}, {374.1813, 13.978594, "Meta"} -> {{62579, 46825, 37038}, 
     {"Glu Asn Leu [ C15 H26 N4 O7, db=57.08, overall=28.54 ]", ""}}, 
   {401.2, 13.978515, "Meta"} -> {{218334, 142529, 109020}, {"", ""}}, 
   {429.2065, 13.981425, "Meta"} -> {{64865, 68534, 59635}, {"", ""}}, 
   {444.2765, 13.977774, "Meta"} -> {{25497, 58116, 61505}, {"", ""}}, 
   {610.4531, 13.979807, "Meta"} -> {{318490, 365068, 333452}, {"", ""}}, 
   {897.0775, 13.963102, "Meta"} -> {{34359, 36790, 1}, {"", ""}}, 
   {420.3661, 13.976656, "Meta"} -> {{38210, 28564, 32581}, {"", ""}}, 
   {294.1873, 13.977543, "Meta"} -> {{65690, 55095, 1}, 
     {"Sodium tetradecyl sulfate [ C14 H30 O4 S, db=82.16, overall=41.08, \
KEGG ID=, CAS ID=139-88-8 ]", "139-88-8"}}, {556.3739, 13.973735, "Meta"} -> 
    {{216493, 244093, 158666}, {"", ""}}, {540.3787, 13.981038, "Meta"} -> 
    {{161860, 211435, 195246}, {"", ""}}, {500.3862, 13.978946, "Meta"} -> 
    {{170038, 177005, 176630}, {"", ""}}, {1838.1816, 13.978887, "Meta"} -> 
    {{1, 37780, 30589}, {"", ""}}, {273.2666, 13.976639, "Meta"} -> 
    {{130337, 88829, 83487}, {"C16 Sphinganine [ C16 H35 N O2, db=89.23, \
overall=44.61, Lipid ID=LMSP01040001, KEGG ID= ]", ""}}, 
   {370.2578, 13.982139, "Meta"} -> {{81481, 76739, 76475}, {"", ""}}, 
   {470.3612, 13.984445, "Meta"} -> {{212498, 237842, 141623}, {"", ""}}, 
   {307.287, 13.978666, "Meta"} -> {{98883, 55293, 64133}, {"", ""}}, 
   {369.1855, 13.979225, "Meta"} -> {{81068, 64834, 1}, {"", ""}}, 
   {520.4126, 13.9819145, "Meta"} -> {{548263, 625012, 522238}, {"", ""}}, 
   {560.4047, 13.986311, "Meta"} -> {{1, 369207, 272583}, {"", ""}}, 
   {685.3513, 13.989969, "Meta"} -> {{21834, 13799, 1}, {"", ""}}, 
   {600.436, 13.992064, "Meta"} -> {{213057, 133748, 117352}, {"", ""}}, 
   {276.2085, 13.992001, "Meta"} -> {{1, 50828, 55494}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=76.40, overall=38.20, Lipid \
ID=, KEGG ID= ]", ""}}, {294.2182, 13.990687, "Meta"} -> 
    {{45789, 69454, 56465}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, \
db=70.71, overall=35.35, Lipid ID=, KEGG ID= ]", ""}}, 
   {486.3319, 13.971826, "Meta"} -> {{373175, 344977, 1}, {"", ""}}, 
   {1764.1438, 14.027258, "Meta"} -> {{111011, 49667, 35758}, {"", ""}}, 
   {306.2556, 13.999083, "Meta"} -> {{567474, 484321, 432713}, 
     {"ETrE(11Z, 14Z, 17Z) [ C20 H34 O2, db=67.35, overall=33.67, Lipid \
ID=LMFA01030378, KEGG ID= ]", ""}}, {507.3694, 13.993544, "Meta"} -> 
    {{2730511, 325790, 471092}, {"", ""}}, {323.2821, 13.996278, "Meta"} -> 
    {{218687, 218302, 174428}, {"(9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-die\
namide [ C20 H37 N O2, db=99.15, overall=49.57, KEGG ID=, CAS ID= ]", ""}}, 
   {490.3655, 14.002969, "Meta"} -> {{385784, 449311, 945880}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=61.55, \
overall=30.77, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {362.1752, 14.002638, "Meta"} -> {{41113, 43566, 39432}, 
     {"Met Gly Arg [ C13 H26 N6 O4 S, db=56.03, overall=28.02 ]", ""}}, 
   {360.2646, 14.006222, "Meta"} -> {{53835, 1, 17355}, 
     {"1alpha,23-dihydroxy-24,25,26,27-tetranorvitamin D3 / \
1alpha,23-dihydroxy-24,25,26,27-tetranorcholeca [ C23 H36 O3, db=49.92, \
overall=24.96, Lipid ID=LMST03020020, KEGG ID= ]", ""}}, 
   {627.5055, 14.012999, "Meta"} -> {{31181, 23289, 17698}, {"", ""}}, 
   {388.2586, 14.0047655, "Meta"} -> {{22613, 22389, 22617}, 
     {"7,12-Dioxo-5beta-cholan-24-oic Acid [ C24 H36 O4, db=55.81, \
overall=27.91, Lipid ID=, KEGG ID= ]", ""}}, {472.3551, 13.985233, "Meta"} -> 
    {{84513, 71582, 1}, {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehydro-2\
3-oxavitamin D3 / 26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=61.77, \
overall=30.89, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {420.3237, 13.996353, "Meta"} -> {{267733, 101702, 355620}, 
     {"1alpha,2alpha,25-trihydroxy-19-norvitamin D3 / \
1alpha,2alpha,25-trihydroxy-19-norcholecalciferolchol [ C26 H44 O4, db=77.07, \
overall=38.53, Lipid ID=LMST03020547, KEGG ID= ]", ""}}, 
   {512.3477, 14.046452, "Meta"} -> {{472731, 484255, 1}, 
     {"ZK 159222 [ C32 H48 O5, db=50.94, overall=25.47, Lipid \
ID=LMST03020621, KEGG ID= ]", ""}}, {545.3171, 14.010888, "Meta"} -> 
    {{22463, 1, 17706}, {"", ""}}, {469.2862, 14.021042, "Meta"} -> 
    {{31786, 30839, 26591}, {"", ""}}, {259.2508, 14.031133, "Meta"} -> 
    {{31616, 19049, 1}, {"", ""}}, {242.2245, 14.033613, "Meta"} -> 
    {{540224, 234279, 176434}, {"Isopentadecylic acid [ C15 H30 O2, db=99.40, \
overall=49.70, KEGG ID=, CAS ID= ]", ""}}, {295.2873, 14.061223, "Meta"} -> 
    {{81477, 48580, 136185}, {"", ""}}, {408.1761, 14.037353, "Meta"} -> 
    {{1838899, 3352866, 2833534}, 
     {"Trp Gly Phe [ C22 H24 N4 O4, db=41.37, overall=20.69 ]", ""}}, 
   {298.2508, 14.035623, "Meta"} -> {{1, 60854, 47249}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=71.18, overall=35.59, \
Lipid ID=, KEGG ID= ]", ""}}, {454.3265, 13.978308, "Meta"} -> 
    {{290164, 260671, 1}, {"GPCho(O-7:0/O-7:0) [ C22 H49 N O6 P, db=80.05, \
overall=40.03, Lipid ID=LMGP01040080, KEGG ID= ]", ""}}, 
   {449.3718, 14.041364, "Meta"} -> {{897344, 55225, 70949}, {"", ""}}, 
   {171.108, 14.037002, "Meta"} -> {{239693, 402713, 333272}, {"", ""}}, 
   {353.3292, 14.065957, "Meta"} -> {{33560, 1, 1}, 
     {"(Z)-N-(2-hydroxyethyl)icos-11-enamide [ C22 H43 N O2, db=53.55, \
overall=26.77, KEGG ID=, CAS ID= ]", ""}}, {358.3083, 14.061032, "Meta"} -> 
    {{1.05*^7, 320020, 225031}, {"1-octadecanoyl-rac-glycerol [ C21 H42 O4, \
db=91.49, overall=45.75, KEGG ID=, CAS ID= ]", ""}}, 
   {534.3899, 14.062283, "Meta"} -> {{2348747, 1703071, 1380343}, {"", ""}}, 
   {1218.8057, 14.057057, "Meta"} -> {{435423, 406548, 365782}, {"", ""}}, 
   {642.91, 14.060259, "Meta"} -> {{73768, 1, 66187}, {"", ""}}, 
   {1186.8503, 14.059189, "Meta"} -> {{259699, 249840, 203670}, {"", ""}}, 
   {1103.753, 14.057482, "Meta"} -> {{169526, 179343, 159665}, {"", ""}}, 
   {1169.8226, 14.057669, "Meta"} -> {{626585, 691543, 177316}, {"", ""}}, 
   {1262.8317, 14.057412, "Meta"} -> {{1, 443657, 110581}, 
     {"Ganglioside GM3 (d18:1/24:1(15Z)) [ C65 H118 N2 O21, db=64.86, \
overall=32.43, HMP ID=HMDB04848, KEGG ID= ]", ""}}, 
   {1152.795, 14.05788, "Meta"} -> {{35153, 203396, 177200}, {"", ""}}, 
   {1064.743, 14.0559025, "Meta"} -> {{302580, 247414, 201142}, {"", ""}}, 
   {1213.8492, 14.058307, "Meta"} -> {{310482, 299494, 267484}, {"", ""}}, 
   {1020.7168, 14.055375, "Meta"} -> {{25201, 213705, 18800}, {"", ""}}, 
   {507.8499, 14.0589695, "Meta"} -> {{32525, 33140, 29543}, {"", ""}}, 
   {1125.7968, 14.0580015, "Meta"} -> {{332504, 1, 263829}, {"", ""}}, 
   {1108.7697, 14.056641, "Meta"} -> {{27800, 1, 1}, {"", ""}}, 
   {485.8368, 14.06136, "Meta"} -> {{1, 13352, 1}, {"", ""}}, 
   {1230.8765, 14.069205, "Meta"} -> {{166477, 307105, 277869}, {"", ""}}, 
   {1306.8593, 14.060386, "Meta"} -> {{210689, 436400, 368108}, {"", ""}}, 
   {1318.9282, 14.062551, "Meta"} -> {{286265, 363291, 1}, {"", ""}}, 
   {1257.8752, 14.0591755, "Meta"} -> {{160618, 146053, 1}, {"", ""}}, 
   {1037.7437, 14.060363, "Meta"} -> {{240216, 215210, 184428}, {"", ""}}, 
   {1054.7722, 14.059851, "Meta"} -> {{1, 1, 47365}, {"", ""}}, 
   {1350.8864, 14.060532, "Meta"} -> {{104665, 385816, 109796}, {"", ""}}, 
   {1362.9545, 14.064612, "Meta"} -> {{275347, 336192, 287582}, {"", ""}}, 
   {1389.9536, 14.06309, "Meta"} -> {{77428, 659160, 523877}, {"", ""}}, 
   {1142.8239, 14.061389, "Meta"} -> {{148335, 187479, 180259}, {"", ""}}, 
   {976.6912, 14.068707, "Meta"} -> {{204249, 29962, 176157}, {"", ""}}, 
   {422.375, 14.068999, "Meta"} -> {{31549, 23273, 39260}, {"", ""}}, 
   {993.7174, 14.063914, "Meta"} -> {{208954, 190151, 161768}, {"", ""}}, 
   {1438.9374, 14.065999, "Meta"} -> {{302647, 316425, 275469}, {"", ""}}, 
   {1433.9799, 14.066055, "Meta"} -> {{519158, 573364, 487400}, {"", ""}}, 
   {949.6916, 14.066196, "Meta"} -> {{140929, 140655, 121033}, {"", ""}}, 
   {1451.0062, 14.068264, "Meta"} -> {{181035, 292008, 266301}, {"", ""}}, 
   {932.6646, 14.065879, "Meta"} -> {{173281, 143105, 153639}, {"", ""}}, 
   {470.2924, 14.073814, "Meta"} -> {{1, 77632, 81010}, {"", ""}}, 
   {905.6649, 14.069608, "Meta"} -> {{96330, 88532, 79463}, {"", ""}}, 
   {1522.0323, 14.071529, "Meta"} -> {{402025, 444089, 60683}, {"", ""}}, 
   {888.6409, 14.076768, "Meta"} -> {{172617, 95084, 1}, {"", ""}}, 
   {1482.9642, 14.067459, "Meta"} -> {{40057, 265604, 233921}, {"", ""}}, 
   {1174.7784, 14.05864, "Meta"} -> {{314319, 88509, 101404}, {"", ""}}, 
   {1526.9904, 14.071257, "Meta"} -> {{235601, 253315, 192033}, {"", ""}}, 
   {1495.0323, 14.071646, "Meta"} -> {{241859, 278104, 235756}, {"", ""}}, 
   {861.6387, 14.075389, "Meta"} -> {{43034, 46091, 41740}, {"", ""}}, 
   {405.3454, 14.078472, "Meta"} -> {{337564, 20251, 49143}, {"", ""}}, 
   {316.2402, 14.079582, "Meta"} -> {{1895687, 769904, 683488}, 
     {"pregnenolone [ C21 H32 O2, db=98.88, overall=49.44, KEGG ID=, CAS \
ID=1852-38-6 ]", "1852-38-6"}}, {376.2724, 14.080198, "Meta"} -> 
    {{369800, 470872, 448257}, {"", ""}}, {284.2138, 14.07936, "Meta"} -> 
    {{62761, 68885, 45062}, {"11-cis-Retinaldehyde [ C20 H28 O, db=83.12, \
overall=41.56, HMP ID=HMDB02152, KEGG ID= ]", ""}}, 
   {333.2666, 14.079747, "Meta"} -> {{1431937, 2065140, 1981642}, {"", ""}}, 
   {805.0406, 14.07626, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {529.4339, 14.081344, "Meta"} -> {{50015, 59419, 69100}, {"", ""}}, 
   {1632.0676, 14.078387, "Meta"} -> {{288990, 253083, 238950}, {"", ""}}, 
   {1583.085, 14.078301, "Meta"} -> {{195020, 227693, 201934}, {"", ""}}, 
   {1627.1108, 14.078733, "Meta"} -> {{175672, 175810, 171395}, {"", ""}}, 
   {1676.0933, 14.06074, "Meta"} -> {{201159, 1, 38578}, {"", ""}}, 
   {1715.1598, 14.067248, "Meta"} -> {{1, 1, 131206}, {"", ""}}, 
   {948.6653, 14.082221, "Meta"} -> {{82915, 1, 152005}, {"", ""}}, 
   {264.2448, 14.087555, "Meta"} -> {{144899, 125740, 107410}, 
     {"9,12-octadecadienal [ C18 H32 O, db=69.08, overall=34.54, Lipid ID=, \
KEGG ID= ]", ""}}, {1813.1312, 14.077153, "Meta"} -> 
    {{22402, 56166, 37534}, {"", ""}}, {546.5012, 14.088577, "Meta"} -> 
    {{42740, 38105, 35676}, {"", ""}}, {367.1936, 14.089778, "Meta"} -> 
    {{63656, 65995, 58186}, {"N-Desethylquinagolide [ C18 H29 N3 O3 S, \
db=63.48, overall=31.74, KEGG ID=, CAS ID= ]", ""}}, 
   {602.4589, 14.089057, "Meta"} -> {{650847, 956851, 838584}, {"", ""}}, 
   {1808.1718, 14.068594, "Meta"} -> {{132229, 47291, 73700}, {"", ""}}, 
   {884.7153, 14.088696, "Meta"} -> {{234266, 323290, 297712}, {"", ""}}, 
   {380.2247, 14.088887, "Meta"} -> {{574072, 804455, 793739}, {"", ""}}, 
   {282.2564, 14.088139, "Meta"} -> {{1823918, 4422117, 4165555}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=98.70, overall=49.35, Lipid \
ID=LMFA01030065, KEGG ID= ]", ""}}, {486.3322, 14.0887165, "Meta"} -> 
    {{756893, 997417, 888993}, {"", ""}}, {868.7374, 14.088824, "Meta"} -> 
    {{47242, 57662, 52556}, {"", ""}}, {299.2823, 14.088805, "Meta"} -> 
    {{727481, 610948, 598260}, {"3-Dehydrosphinganine [ C18 H37 N O2, \
db=99.55, overall=49.78, KEGG ID=C02934, CAS ID=16105-69-4 ]", 
      "16105-69-4"}}, {338.1754, 14.0895, "Meta"} -> 
    {{98863, 147889, 128658}, {"2,3-Dinor-6,15-diketo-13,14-dihydro-PGF1a [ \
C18 H26 O6, db=42.53, overall=21.26, KEGG ID=, CAS ID= ]", ""}}, 
   {586.4805, 14.089943, "Meta"} -> {{47922, 64129, 256588}, 
     {"3',4'-Dihydrorhodovibrin [ C41 H62 O2, db=20.76, overall=10.38, Lipid \
ID=LMPR01070139, KEGG ID= ]", ""}}, {440.2498, 14.08963, "Meta"} -> 
    {{72516, 1, 1}, {"", ""}}, {404.1936, 14.090585, "Meta"} -> 
    {{35747, 1, 55291}, 
     {"Lys Glu Glu [ C16 H28 N4 O8, db=45.07, overall=22.53 ]", ""}}, 
   {398.202, 14.090389, "Meta"} -> {{110611, 211088, 211267}, 
     {"His Arg Ser [ C15 H26 N8 O5, db=43.07, overall=21.53 ]", ""}}, 
   {395.1929, 14.089863, "Meta"} -> {{237726, 224749, 180951}, {"", ""}}, 
   {1720.1184, 14.061962, "Meta"} -> {{44080, 38153, 121008}, {"", ""}}, 
   {434.3862, 14.09189, "Meta"} -> {{73625, 79203, 82472}, {"", ""}}, 
   {320.2035, 14.088819, "Meta"} -> {{67377, 117783, 110158}, {"", ""}}, 
   {357.2667, 14.066502, "Meta"} -> {{1, 25337, 32188}, {"", ""}}, 
   {1803.2148, 14.080516, "Meta"} -> {{66790, 74366, 1}, {"", ""}}, 
   {1847.2441, 14.088383, "Meta"} -> {{1, 29829, 1}, {"", ""}}, 
   {1852.1967, 14.0926, "Meta"} -> {{79567, 71574, 43507}, {"", ""}}, 
   {1896.2227, 14.094833, "Meta"} -> {{61313, 48889, 42472}, {"", ""}}, 
   {662.4873, 14.106453, "Meta"} -> {{1, 318093, 335820}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaeno\
yl)-sn-glycerol [ C43 H66 O5, db=68.73, overall=34.37, KEGG ID=, CAS ID= ]", 
      ""}}, {498.3687, 14.089807, "Meta"} -> {{54175, 43644, 1}, 
     {"(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a,24\
b,24c-trihomo-20-epivitamin D3 [ C32 H50 O4, db=49.58, overall=24.79, Lipid \
ID=LMST03020516, KEGG ID= ]", ""}}, {509.3843, 14.0923605, "Meta"} -> 
    {{5155165, 581950, 1390266}, {"", ""}}, {466.3657, 14.105546, "Meta"} -> 
    {{392323, 1225528, 959479}, {"6alpha-Hydroxycastasterone [ C28 H50 O5, \
db=82.12, overall=41.06, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {292.2399, 14.107418, "Meta"} -> {{592146, 371603, 325296}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=85.29, overall=42.65, \
HMP ID=HMDB00412, KEGG ID= ]", ""}}, {580.4317, 14.10757, "Meta"} -> 
    {{79274, 141045, 117201}, {"GPCho(O-18:0/4:0) [ C30 H63 N O7 P, db=63.24, \
overall=31.62, Lipid ID=LMGP01020116, KEGG ID= ]", ""}}, 
   {352.2723, 14.1108885, "Meta"} -> {{92036, 175553, 185679}, {"", ""}}, 
   {309.2668, 14.111446, "Meta"} -> {{301684, 624924, 578561}, 
     {"Dicyclomine [ C19 H35 N O2, db=99.35, overall=49.67, KEGG ID=C06951, \
CAS ID=77-19-0 ]", "77-19-0"}}, {222.1617, 14.1038265, "Meta"} -> 
    {{174568, 764147, 656417}, {"", ""}}, {960.7672, 14.101361, "Meta"} -> 
    {{273575, 74430, 103589}, {"", ""}}, {499.2963, 14.121678, "Meta"} -> 
    {{78533, 150774, 130828}, {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, \
db=89.57, overall=44.79, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {484.378, 14.105919, "Meta"} -> {{84439, 57336, 1}, {"", ""}}, 
   {420.3042, 14.12719, "Meta"} -> {{351068, 78456, 49622}, 
     {"3D,7D,11D-Phytanic acid [ C29 H40 O2, db=55.51, overall=27.76, HMP \
ID=HMDB00417, KEGG ID= ]", ""}}, {696.4838, 14.114749, "Meta"} -> 
    {{1, 61435, 91857}, {"", ""}}, {514.423, 14.141911, "Meta"} -> 
    {{71743, 258784, 188971}, {"", ""}}, {678.511, 14.121193, "Meta"} -> 
    {{310961, 137837, 179840}, {"GPCho(14:0/14:0[U]) [ C36 H73 N O8 P, \
db=73.61, overall=36.81, Lipid ID=LMGP01010478, KEGG ID= ]", ""}}, 
   {895.5533, 14.136167, "Meta"} -> {{76287, 1, 1}, {"", ""}}, 
   {422.34, 14.145611, "Meta"} -> {{304839, 150052, 478632}, {"", ""}}, 
   {340.298, 14.148811, "Meta"} -> {{1933612, 1, 563404}, 
     {"20-oxo-heneicosanoic acid [ C21 H40 O3, db=96.35, overall=48.18, Lipid \
ID=, KEGG ID= ]", ""}}, {352.334, 14.145808, "Meta"} -> 
    {{71416, 54111, 54546}, {"14Z-tricosenoic acid [ C23 H44 O2, db=81.01, \
overall=40.50, Lipid ID=, KEGG ID= ]", ""}}, 
   {1036.8195, 14.135778, "Meta"} -> {{376304, 44021, 103636}, {"", ""}}, 
   {741.6305, 14.144343, "Meta"} -> {{3256803, 109362, 224135}, {"", ""}}, 
   {384.3049, 14.142907, "Meta"} -> {{61548, 169785, 269108}, {"", ""}}, 
   {403.3659, 14.148665, "Meta"} -> {{333643, 1, 76398}, {"", ""}}, 
   {772.5821, 14.131801, "Meta"} -> {{89646, 54878, 88579}, 
     {"GPCho(16:0/19:2(9Z,12Z)[U]) [ C43 H83 N O8 P, db=73.13, overall=36.57, \
Lipid ID=LMGP01010610, KEGG ID= ]", ""}}, {764.5958, 14.144802, "Meta"} -> 
    {{145141, 52010, 101270}, {"", ""}}, {1054.792, 14.132248, "Meta"} -> 
    {{190124, 21112, 40637}, {"", ""}}, {266.2608, 14.148749, "Meta"} -> 
    {{507142, 60132, 108958}, {"3E,13Z-octadecadien-1-ol [ C18 H34 O, \
db=97.90, overall=48.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {375.3339, 14.148222, "Meta"} -> {{1.06*^7, 1053081, 1894365}, {"", ""}}, 
   {358.3078, 14.148471, "Meta"} -> {{7.27*^7, 6591057, 1.18*^7}, 
     {"1-octadecanoyl-rac-glycerol [ C21 H42 O4, db=98.40, overall=49.20, \
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    {{2711539, 338323, 561570}, {"1alpha,25-dihydroxy-2alpha-methyl-19-norvit\
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   {639.5801, 14.147194, "Meta"} -> {{124937, 133026, 44180}, {"", ""}}, 
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    {{54881, 214764, 187033}, {"", ""}}, {564.5589, 14.166798, "Meta"} -> 
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   {436.3163, 14.176588, "Meta"} -> {{547039, 27306, 47906}, 
     {"4,4-difluoro-1alpha-hydroxyvitamin D3 / \
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   {268.24, 14.176917, "Meta"} -> {{619208, 687823, 627995}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=92.99, overall=46.49, Lipid \
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    {{391183, 2189652, 346691}, {"1alpha,25-dihydroxy-11beta-methoxyvitamin \
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   {398.3198, 14.172886, "Meta"} -> {{178414, 46367, 47874}, 
     {"(22Z)-1beta-hydroxy-22,23-didehydrovitamin D_3 / \
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   {434.2678, 14.188435, "Meta"} -> {{217406, 186655, 179317}, 
     {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, db=84.90, overall=42.45, \
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   {1364.8975, 14.194389, "Meta"} -> {{90030, 350112, 274870}, 
     {"Ganglioside GA1 (d18:1/26:1(17Z)) [ C70 H128 N2 O23, db=75.48, \
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   {1492.0217, 14.194573, "Meta"} -> {{424774, 80695, 453216}, {"", ""}}, 
   {412.2971, 14.195, "Meta"} -> {{59890, 171912, 120226}, 
     {"Calcipotriene [ C27 H40 O3, db=80.60, overall=40.30, KEGG ID=, CAS \
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    {{1, 92875, 91243}, {"GPGro(16:0/0:0)[U] [ C22 H45 O9 P, db=38.98, \
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   {1885.1884, 14.293885, "Meta"} -> {{1, 59944, 46846}, {"", ""}}, 
   {325.2996, 14.210102, "Meta"} -> {{50522, 15946, 18537}, 
     {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, db=43.24, overall=21.62, \
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    {{44099, 41168, 175466}, {"", ""}}, {624.5072, 14.226657, "Meta"} -> 
    {{73900, 133799, 179881}, {"", ""}}, {538.3636, 14.237194, "Meta"} -> 
    {{196889, 1, 218557}, {"", ""}}, {308.2716, 14.231286, "Meta"} -> 
    {{71288, 1, 43102}, {"5,11-Eicosadienoic acid [ C20 H36 O2, db=81.25, \
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    {{164822, 191731, 139343}, {"beta-eleostearic acid [ C18 H30 O2, \
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   {309.3033, 14.23247, "Meta"} -> {{1249341, 389685, 438164}, {"", ""}}, 
   {538.4231, 14.239277, "Meta"} -> {{1052216, 5180628, 977562}, 
     {"GPCho(O-16:0/O-4:0[U]) [ C28 H61 N O6 P, db=76.53, overall=38.26, \
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    {{1391757, 1783886, 1574404}, {"", ""}}, {647.3629, 14.24356, "Meta"} -> 
    {{1, 29413, 32231}, {"", ""}}, {591.3425, 14.248113, "Meta"} -> 
    {{42930, 79027, 62692}, {"", ""}}, {636.3988, 14.250115, "Meta"} -> 
    {{26551, 105567, 106397}, {"", ""}}, {1098.8239, 14.252852, "Meta"} -> 
    {{1, 1, 109634}, {"", ""}}, {594.3456, 14.25331, "Meta"} -> 
    {{1, 105697, 86884}, {"L-Urobilin [ C33 H46 N4 O6, db=35.51, \
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   {256.24, 14.260359, "Meta"} -> {{116921, 49021, 39582}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=78.64, overall=39.32, Lipid \
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    {{50016, 40104, 46889}, {"", ""}}, {373.2977, 14.262173, "Meta"} -> 
    {{69577, 55007, 56983}, {"Arachidonoylmorpholine [ C24 H39 N O2, \
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   {227.1883, 14.25888, "Meta"} -> {{68649, 1, 1}, {"", ""}}, 
   {310.2297, 14.267167, "Meta"} -> {{85770, 1, 45299}, 
     {"Desogestrel [ C22 H30 O, db=87.12, overall=43.56, KEGG ID=, CAS \
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    {{1000130, 695552, 623009}, {"", ""}}, {359.2815, 14.267722, "Meta"} -> 
    {{7677829, 4598397, 5774219}, {"", ""}}, {272.1768, 14.267366, "Meta"} -> 
    {{21978, 10516, 1}, {"5,8,11-octadecatriynoic acid [ C18 H24 O2, \
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   {390.3498, 14.261562, "Meta"} -> {{18619, 35077, 1}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=62.19, overall=31.10, \
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    {{44260, 23639, 21880}, {"", ""}}, {458.1971, 14.265822, "Meta"} -> 
    {{24077, 9830, 1}, {"", ""}}, {722.4598, 14.266535, "Meta"} -> 
    {{20556, 1, 1}, {"", ""}}, {698.4571, 14.2792225, "Meta"} -> 
    {{30697, 18585, 18688}, {"", ""}}, {1016.7246, 14.284067, "Meta"} -> 
    {{1, 51112, 35761}, {"", ""}}, {234.1617, 14.2904, "Meta"} -> 
    {{50578, 36521, 519819}, {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-\
9,11-didehydrovitamin D3 / 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, \
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   {416.2236, 14.286627, "Meta"} -> {{78303, 73021, 56295}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=73.66, \
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   {134.1094, 14.287377, "Meta"} -> {{1, 1, 1}, {"p-Cymene [ C10 H14, \
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   {349.2979, 14.288562, "Meta"} -> {{1, 62930, 73398}, 
     {"Anandamide (20:3, n-3) [ C22 H39 N O2, db=74.63, overall=37.32, Lipid \
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    {{811965, 658964, 599783}, {"", ""}}, {1116.8062, 14.30288, "Meta"} -> 
    {{191553, 175784, 133022}, {"", ""}}, {286.2294, 14.290941, "Meta"} -> 
    {{407657, 279424, 286878}, {"11-cis-Retinol [ C20 H30 O, db=99.50, \
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   {318.255, 14.292167, "Meta"} -> {{1.49*^7, 1.08*^7, 1.05*^7}, 
     {"Allopregnanolone [ C21 H34 O2, db=64.02, overall=32.01, Lipid \
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    {{23183, 24720, 15498}, {"", ""}}, {434.1969, 14.290781, "Meta"} -> 
    {{33151, 27828, 23925}, 
     {"Trp Met Val [ C21 H30 N4 O4 S, db=56.25, overall=28.12 ]", ""}}, 
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   {468.3816, 14.297306, "Meta"} -> {{4462078, 4254184, 3751560}, {"", ""}}, 
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   {1963.3293, 14.298726, "Meta"} -> {{1, 1, 45187}, {"", ""}}, 
   {577.3202, 14.3007145, "Meta"} -> {{29595, 32566, 30390}, 
     {"dihydro-alpha-ergocryptine [ C32 H43 N5 O5, db=34.25, overall=17.13, \
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    {{43146, 43532, 46279}, {"TG(22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z\
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    {{974512, 207395, 1581647}, {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propyny\
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   {1880.2303, 14.295215, "Meta"} -> {{39187, 99041, 80161}, {"", ""}}, 
   {562.4212, 14.302342, "Meta"} -> {{2636409, 2658205, 2009287}, {"", ""}}, 
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   {366.3494, 14.30147, "Meta"} -> {{29319, 14651, 17192}, 
     {"Nervonic acid [ C24 H46 O2, db=79.78, overall=39.89, KEGG ID=, CAS \
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    {{46871, 74325, 1}, {"", ""}}, {661.7696, 14.304938, "Meta"} -> 
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    {{158711, 154019, 23201}, {"", ""}}, {60.0325, 14.311346, "Meta"} -> 
    {{304856, 228834, 1}, {"Urea [ C H4 N2 O, db=87.29, overall=43.65, KEGG \
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    {{82745, 58771, 43725}, {"", ""}}, {1787.222, 14.30246, "Meta"} -> 
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    {{138220, 162846, 15367}, {"", ""}}, {630.768, 14.307372, "Meta"} -> 
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    {{1, 25617, 18680}, {"", ""}}, {1523.0645, 14.315276, "Meta"} -> 
    {{208255, 232694, 256311}, {"", ""}}, {1506.0385, 14.314786, "Meta"} -> 
    {{403701, 412224, 35857}, {"", ""}}, {1462.0117, 14.3143835, "Meta"} -> 
    {{421611, 433180, 39550}, {"", ""}}, {298.2506, 14.321658, "Meta"} -> 
    {{622656, 136408, 113147}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=73.00, overall=36.50, Lipid ID=, KEGG ID= ]", ""}}, 
   {650.4595, 14.318721, "Meta"} -> {{23796, 21382, 19695}, {"", ""}}, 
   {1435.0125, 14.319297, "Meta"} -> {{218597, 1, 1}, {"", ""}}, 
   {152.1198, 14.325621, "Meta"} -> {{29332, 21015, 23226}, 
     {"Limonene-1,2-epoxide [ C10 H16 O, db=71.21, overall=35.61, Lipid \
ID=LMPR01020046, KEGG ID=C07271 ]", ""}}, {1417.9856, 14.31611, "Meta"} -> 
    {{403084, 1, 54870}, {"", ""}}, {596.3593, 14.318885, "Meta"} -> 
    {{142611, 134489, 113351}, {"", ""}}, {1373.9594, 14.321887, "Meta"} -> 
    {{58186, 417255, 1}, {"", ""}}, {944.712, 14.3222, "Meta"} -> 
    {{102115, 1, 52379}, {"", ""}}, {196.1459, 14.323223, "Meta"} -> 
    {{28187, 10758, 12530}, {"4-dodecynoic acid [ C12 H20 O2, db=55.50, \
overall=27.75, Lipid ID=, KEGG ID= ]", ""}}, 
   {1329.9312, 14.326601, "Meta"} -> {{375004, 362509, 325158}, {"", ""}}, 
   {1346.9602, 14.32572, "Meta"} -> {{195777, 1, 1}, {"", ""}}, 
   {626.4591, 14.3310995, "Meta"} -> {{25275, 81739, 24704}, {"", ""}}, 
   {244.2189, 14.325999, "Meta"} -> {{108528, 78206, 73330}, {"", ""}}, 
   {325.2979, 14.328285, "Meta"} -> {{54884, 40338, 44360}, 
     {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, db=68.35, overall=34.18, \
KEGG ID=, CAS ID= ]", ""}}, {294.2551, 14.3272505, "Meta"} -> 
    {{6241846, 1.04*^7, 9453584}, {"Sterculic acid [ C19 H34 O2, db=82.34, \
overall=41.17, Lipid ID=LMFA01030190, KEGG ID= ]", ""}}, 
   {262.2296, 14.327582, "Meta"} -> {{488991, 332558, 320062}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=81.28, overall=40.64, Lipid \
ID=, KEGG ID= ]", ""}}, {238.1927, 14.326264, "Meta"} -> 
    {{23778, 17679, 19645}, {"3-pentadecynoic acid [ C15 H26 O2, db=57.86, \
overall=28.93, Lipid ID=, KEGG ID= ]", ""}}, {392.2238, 14.332555, "Meta"} -> 
    {{134901, 131958, 111545}, {"6b-Hydroxycortisol [ C22 H32 O6, db=57.81, \
overall=28.91, KEGG ID=, CAS ID=53-35-0 ]", "53-35-0"}}, 
   {1285.907, 14.330352, "Meta"} -> {{1, 350212, 282727}, {"", ""}}, 
   {198.1614, 14.327666, "Meta"} -> {{35856, 1, 53509}, 
     {"9-lauroleic acid [ C12 H22 O2, db=55.65, overall=27.83, Lipid \
ID=LMFA01030041, KEGG ID= ]", ""}}, {311.2817, 14.328415, "Meta"} -> 
    {{5301061, 4810125, 5415952}, {"", ""}}, {354.2882, 14.326629, "Meta"} -> 
    {{877306, 834431, 729599}, {"", ""}}, {1241.8809, 14.334071, "Meta"} -> 
    {{67317, 264026, 207257}, {"", ""}}, {410.1968, 14.332834, "Meta"} -> 
    {{36156, 29482, 22214}, {"", ""}}, {920.7121, 14.328693, "Meta"} -> 
    {{132264, 108858, 95497}, {"", ""}}, {372.3238, 14.330667, "Meta"} -> 
    {{581974, 1, 27208}, {"13,14-dihydroxy-docosanoic acid [ C22 H44 O4, \
db=92.68, overall=46.34, Lipid ID=, KEGG ID= ]", ""}}, 
   {1180.7678, 14.332838, "Meta"} -> {{59566, 69606, 61031}, {"", ""}}, 
   {1214.8828, 14.336967, "Meta"} -> {{1, 77932, 84060}, {"", ""}}, 
   {1258.907, 14.333887, "Meta"} -> {{111728, 92045, 155757}, {"", ""}}, 
   {1170.852, 14.335778, "Meta"} -> {{56088, 123303, 128707}, {"", ""}}, 
   {1197.8549, 14.342236, "Meta"} -> {{1, 44177, 40359}, {"", ""}}, 
   {1202.8094, 14.343749, "Meta"} -> {{32988, 41577, 1}, {"", ""}}, 
   {1246.8376, 14.333188, "Meta"} -> {{1, 165252, 125705}, {"", ""}}, 
   {1070.7347, 14.356584, "Meta"} -> {{31669, 33799, 1}, {"", ""}}, 
   {587.9054, 14.341818, "Meta"} -> {{48536, 49345, 44137}, {"", ""}}, 
   {754.5154, 14.349834, "Meta"} -> {{40657, 1, 1}, {"", ""}}, 
   {576.9138, 14.348359, "Meta"} -> {{1, 96019, 83092}, {"", ""}}, 
   {442.4017, 14.35682, "Meta"} -> {{248676, 71081, 87365}, {"", ""}}, 
   {424.3913, 14.357807, "Meta"} -> {{70866, 17112, 18352}, {"", ""}}, 
   {406.3808, 14.358058, "Meta"} -> {{59209, 1, 18166}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=83.65, \
overall=41.82, Lipid ID=, KEGG ID= ]", ""}}, 
   {1109.8003, 14.359261, "Meta"} -> {{42920, 38429, 32010}, {"", ""}}, 
   {880.6371, 14.358142, "Meta"} -> {{22018, 20237, 18769}, {"", ""}}, 
   {854.6613, 14.358676, "Meta"} -> {{39898, 11789, 1}, {"", ""}}, 
   {802.5359, 14.362123, "Meta"} -> {{3042662, 2532066, 2641532}, {"", ""}}, 
   {390.2761, 14.363417, "Meta"} -> {{9758734, 1.08*^7, 1.19*^7}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=96.27, \
overall=48.13, Lipid ID=, KEGG ID= ]", ""}}, {166.0263, 14.363825, "Meta"} -> 
    {{50042, 62292, 66543}, {"Benzoquinoneacetic acid [ C8 H6 O4, db=86.34, \
overall=43.17, HMP ID=HMDB02334, KEGG ID= ]", ""}}, 
   {506.2177, 14.361897, "Meta"} -> {{26375, 31421, 33849}, {"", ""}}, 
   {488.2453, 14.363861, "Meta"} -> {{50352, 54717, 59348}, 
     {"(3a,5b,7a,12a)-3,7-dihydroxy-12-(sulfooxy)cholan-24-oic acid [ C24 H40 \
O8 S, db=80.09, overall=40.05, HMP ID=HMDB02600, KEGG ID= ]", ""}}, 
   {1065.7736, 14.364685, "Meta"} -> {{28096, 25610, 20912}, {"", ""}}, 
   {148.0158, 14.363888, "Meta"} -> {{427911, 492099, 558186}, {"", ""}}, 
   {435.3347, 14.36872, "Meta"} -> {{442094, 532494, 509622}, {"", ""}}, 
   {260.1407, 14.364168, "Meta"} -> {{29655, 30846, 35622}, {"", ""}}, 
   {510.3212, 14.366528, "Meta"} -> {{176526, 214921, 209397}, 
     {"GPCho(8:0/8:0) [ C24 H49 N O8 P, db=69.20, overall=34.60, Lipid \
ID=LMGP01011251, KEGG ID= ]", ""}}, {421.319, 14.36807, "Meta"} -> 
    {{1, 96714, 109074}, {"", ""}}, {278.1517, 14.363973, "Meta"} -> 
    {{166901, 168523, 194495}, {"", ""}}, {56.0626, 14.364111, "Meta"} -> 
    {{171972, 164569, 1}, {"", ""}}, {559.2364, 14.3670025, "Meta"} -> 
    {{65649, 53714, 50060}, {"", ""}}, {707.5107, 14.365907, "Meta"} -> 
    {{55749, 27851, 31412}, {"", ""}}, {723.5778, 14.369323, "Meta"} -> 
    {{1, 143528, 139298}, {"", ""}}, {472.2919, 14.36994, "Meta"} -> 
    {{1, 84436, 80098}, {"", ""}}, {612.496, 14.377229, "Meta"} -> 
    {{68631, 52215, 72936}, {"", ""}}, {693.5309, 14.366889, "Meta"} -> 
    {{133344, 131986, 123171}, {"", ""}}, {311.3178, 14.3759985, "Meta"} -> 
    {{935566, 1086443, 883352}, {"", ""}}, {242.1879, 14.379251, "Meta"} -> 
    {{106381, 83668, 84263}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
db=85.66, overall=42.83, Lipid ID=, KEGG ID= ]", ""}}, 
   {206.1667, 14.376665, "Meta"} -> {{59109, 38844, 36824}, {"", ""}}, 
   {260.1984, 14.38937, "Meta"} -> {{92209, 71663, 67588}, 
     {"3,11-dihydroxy myristoic acid [ C14 H28 O4, db=63.47, overall=31.73, \
Lipid ID=LMFA01050081, KEGG ID= ]", ""}}, {996.7662, 14.379554, "Meta"} -> 
    {{38952, 16823, 16689}, {"", ""}}, {429.2323, 14.385517, "Meta"} -> 
    {{164546, 76179, 59464}, {"", ""}}, {2021.3699, 14.398199, "Meta"} -> 
    {{43004, 27238, 30508}, {"", ""}}, {504.4169, 14.390971, "Meta"} -> 
    {{95924, 114191, 96914}, {"", ""}}, {540.4393, 14.375798, "Meta"} -> 
    {{1542688, 119471, 118361}, {"", ""}}, {890.7617, 14.388518, "Meta"} -> 
    {{289883, 42167, 38457}, {"", ""}}, {298.2869, 14.3915205, "Meta"} -> 
    {{175069, 86472, 93585}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
db=67.14, overall=33.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {397.2157, 14.390834, "Meta"} -> {{1, 32104, 22719}, {"", ""}}, 
   {666.5123, 14.391109, "Meta"} -> {{177876, 84236, 93470}, {"", ""}}, 
   {400.2142, 14.393068, "Meta"} -> {{1, 43592, 50031}, 
     {"Trp Pro Val [ C21 H28 N4 O4, db=30.15, overall=15.08 ]", ""}}, 
   {284.2715, 14.392412, "Meta"} -> {{184572, 194380, 193935}, 
     {"Stearic acid [ C18 H36 O2, db=99.03, overall=49.51, KEGG ID=, CAS \
ID=57-11-4 ]", "57-11-4"}}, {432.2395, 14.391428, "Meta"} -> 
    {{63487, 19251, 26444}, {"", ""}}, {382.2398, 14.392168, "Meta"} -> 
    {{331579, 172899, 162258}, {"", ""}}, {514.3634, 14.388402, "Meta"} -> 
    {{299440, 163614, 123350}, {"", ""}}, {442.2629, 14.3930025, "Meta"} -> 
    {{125494, 74132, 72227}, {"", ""}}, {457.239, 14.3956, "Meta"} -> 
    {{32631, 26581, 20556}, {"", ""}}, {408.3599, 14.406938, "Meta"} -> 
    {{31606, 21604, 17956}, {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, \
db=75.02, overall=37.51, Lipid ID=, KEGG ID= ]", ""}}, 
   {1938.2709, 14.402037, "Meta"} -> {{98776, 1, 81902}, {"", ""}}, 
   {250.193, 14.395028, "Meta"} -> {{157092, 111881, 105247}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=73.78, overall=36.89, \
Lipid ID=, KEGG ID= ]", ""}}, {301.2979, 14.39117, "Meta"} -> 
    {{74166, 15477, 24016}, {"Dihydrosphingosine [ C18 H39 N O2, db=85.23, \
overall=42.62, KEGG ID=C00836, CAS ID=764-22-7 ]", "764-22-7"}}, 
   {522.4279, 14.397862, "Meta"} -> {{256560, 169712, 205866}, {"", ""}}, 
   {1933.3156, 14.403201, "Meta"} -> {{1, 61236, 76813}, {"", ""}}, 
   {416.2903, 14.408222, "Meta"} -> {{34941, 40883, 42508}, 
     {"(24R,25S)-25,26-epoxy-1alpha,24-dihydroxy-27-norvitamin D3 / \
(24R,25S)-25,26-epoxy-1alpha,24-dihydro [ C26 H40 O4, db=47.47, \
overall=23.74, Lipid ID=LMST03020037, KEGG ID= ]", ""}}, 
   {566.3937, 14.392841, "Meta"} -> {{221792, 86063, 87494}, {"", ""}}, 
   {474.37, 14.399874, "Meta"} -> {{82845, 244398, 1}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=85.87, \
overall=42.94, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {612.4365, 14.406086, "Meta"} -> {{1082976, 694741, 573740}, {"", ""}}, 
   {470.3972, 14.407165, "Meta"} -> {{57051, 62846, 61424}, {"", ""}}, 
   {1850.2188, 14.408482, "Meta"} -> {{144353, 149522, 1}, {"", ""}}, 
   {566.4545, 14.401355, "Meta"} -> {{1711622, 1257006, 1095302}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=61.55, overall=30.77, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {443.3973, 14.4052, "Meta"} -> 
    {{142225, 81065, 92127}, {"", ""}}, {681.1175, 14.41128, "Meta"} -> 
    {{1, 1, 12337}, {"", ""}}, {1899.2042, 14.408434, "Meta"} -> 
    {{79195, 1, 1}, {"", ""}}, {1943.2288, 14.400298, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {664.7895, 14.409922, "Meta"} -> 
    {{1, 31584, 29749}, {"", ""}}, {448.3536, 14.37326, "Meta"} -> 
    {{522398, 655591, 1}, {"Teasterone [ C28 H48 O4, db=51.26, overall=25.63, \
Lipid ID=LMST01030121, KEGG ID= ]", ""}}, {1806.1923, 14.411065, "Meta"} -> 
    {{177847, 144758, 124059}, {"", ""}}, {486.4034, 14.407399, "Meta"} -> 
    {{38245, 50035, 46384}, {"1alpha,25-dihydroxy-2beta-pentylvitamin D3 / \
1alpha,25-dihydroxy-2beta-pentylcholecalciferol [ C32 H54 O3, db=34.55, \
overall=17.27, Lipid ID=LMST03020520, KEGG ID= ]", ""}}, 
   {1855.1772, 14.401386, "Meta"} -> {{1, 62586, 39916}, {"", ""}}, 
   {651.7665, 14.412334, "Meta"} -> {{1, 28587, 24689}, {"", ""}}, 
   {593.0646, 14.419587, "Meta"} -> {{1, 23725, 22541}, {"", ""}}, 
   {370.3077, 14.410557, "Meta"} -> {{8753447, 1765463, 638122}, 
     {"Docosanedioic acid [ C22 H42 O4, db=97.13, overall=48.56, Lipid \
ID=LMFA01170037, KEGG ID= ]", ""}}, {404.3647, 14.4150305, "Meta"} -> 
    {{118157, 37858, 44232}, {"5beta-Cholestane-3alpha,7alpha-diol [ C27 H48 \
O2, db=79.14, overall=39.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {1757.2117, 14.41254, "Meta"} -> {{128983, 140551, 1}, {"", ""}}, 
   {1801.2352, 14.410735, "Meta"} -> {{92219, 94830, 128028}, {"", ""}}, 
   {1811.1512, 14.408364, "Meta"} -> {{89265, 39466, 39796}, {"", ""}}, 
   {1762.1667, 14.414145, "Meta"} -> {{153576, 171766, 1}, {"", ""}}, 
   {390.3488, 14.408688, "Meta"} -> {{73966, 67648, 65462}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=54.78, overall=27.39, \
Lipid ID=, KEGG ID= ]", ""}}, {583.4808, 14.395259, "Meta"} -> 
    {{57793, 1, 83061}, {"", ""}}, {637.0912, 14.41594, "Meta"} -> 
    {{28604, 27039, 26707}, {"", ""}}, {511.4232, 14.415657, "Meta"} -> 
    {{131837, 115739, 122819}, {"", ""}}, {387.335, 14.411082, "Meta"} -> 
    {{497854, 133593, 139661}, {"", ""}}, {470.097, 14.418974, "Meta"} -> 
    {{1.49*^7, 4520194, 3601856}, {"", ""}}, {493.0873, 14.415969, "Meta"} -> 
    {{101205, 57373, 44410}, {"", ""}}, {1723.0979, 14.419501, "Meta"} -> 
    {{130706, 83641, 52313}, {"", ""}}, {1625.133, 14.422751, "Meta"} -> 
    {{139388, 153518, 170467}, {"", ""}}, {1630.0883, 14.423135, "Meta"} -> 
    {{200694, 207071, 149246}, {"", ""}}, {1635.048, 14.425599, "Meta"} -> 
    {{123948, 89808, 77347}, {"", ""}}, {1586.0623, 14.426733, "Meta"} -> 
    {{201992, 227867, 1}, {"", ""}}, {447.2265, 14.425441, "Meta"} -> 
    {{61329, 29635, 12738}, 
     {"Ser Arg Trp [ C20 H29 N7 O5, db=50.01, overall=25.00 ]", ""}}, 
   {1581.1057, 14.426365, "Meta"} -> {{103528, 170596, 1}, {"", ""}}, 
   {404.3037, 14.428638, "Meta"} -> {{449252, 415279, 360814}, {"", ""}}, 
   {1542.0363, 14.429039, "Meta"} -> {{211085, 202885, 1}, {"", ""}}, 
   {375.3134, 14.427285, "Meta"} -> {{41882, 36846, 43716}, 
     {"N-(1,1-dimethyl-2-hydroxy-ethyl) arachidonoyl amine [ C24 H41 N O2, \
db=81.75, overall=40.88, Lipid ID=LMFA08020019, KEGG ID= ]", ""}}, 
   {1591.0197, 14.430484, "Meta"} -> {{94309, 90240, 60890}, {"", ""}}, 
   {361.2974, 14.432083, "Meta"} -> {{2670082, 2926960, 3412370}, 
     {"N-methyl N-(2-hydroxy-ethyl) arachidonoyl amine [ C23 H39 N O2, \
db=97.58, overall=48.79, Lipid ID=LMFA08020025, KEGG ID= ]", ""}}, 
   {344.2712, 14.433056, "Meta"} -> {{3260200, 2548285, 2365263}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=99.04, \
overall=49.52, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {1546.9941, 14.433572, "Meta"} -> {{138539, 103209, 66732}, {"", ""}}, 
   {1476.0247, 14.427167, "Meta"} -> {{56404, 38645, 1}, {"", ""}}, 
   {506.4327, 14.461076, "Meta"} -> {{86407, 1, 1}, {"", ""}}, 
   {1502.967, 14.438209, "Meta"} -> {{1, 1, 70133}, {"", ""}}, 
   {420.3577, 14.4446125, "Meta"} -> {{129375, 57203, 59305}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=65.27, \
overall=32.64, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {1387.9729, 14.434806, "Meta"} -> {{1, 1, 47089}, {"", ""}}, 
   {1493.0544, 14.434714, "Meta"} -> {{135242, 171548, 178369}, {"", ""}}, 
   {511.2607, 14.419092, "Meta"} -> {{63434, 54349, 51785}, {"", ""}}, 
   {1449.0283, 14.43929, "Meta"} -> {{1, 129252, 1}, {"", ""}}, 
   {380.3653, 14.448362, "Meta"} -> {{188112, 53064, 58489}, 
     {"17Z-pentacosenoic acid [ C25 H48 O2, db=96.33, overall=48.17, Lipid \
ID=, KEGG ID= ]", ""}}, {1405.001, 14.443967, "Meta"} -> 
    {{103418, 1, 1}, {"CL(1'-[16:0/18:1(11Z)],3'-[16:0/18:1(11Z)]) [ C77 H146 \
O17 P2, db=86.52, overall=43.26, Lipid ID=LMGP12010006, KEGG ID= ]", ""}}, 
   {1321.905, 14.456001, "Meta"} -> {{132262, 96163, 77089}, {"", ""}}, 
   {1316.9497, 14.455285, "Meta"} -> {{75394, 1, 93075}, {"", ""}}, 
   {438.3322, 14.440999, "Meta"} -> {{1, 24746, 41264}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=78.36, \
overall=39.18, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {1277.8792, 14.461234, "Meta"} -> {{80481, 1, 65680}, {"", ""}}, 
   {1118.9772, 14.463029, "Meta"} -> {{65440, 1, 40383}, {"", ""}}, 
   {636.9634, 14.461871, "Meta"} -> {{16177, 16938, 21339}, {"", ""}}, 
   {848.7128, 14.462386, "Meta"} -> {{43038, 18277, 1}, {"", ""}}, 
   {1238.8083, 14.467372, "Meta"} -> {{41690, 30903, 15297}, {"", ""}}, 
   {270.2551, 14.466167, "Meta"} -> {{1.58*^7, 4446815, 4595596}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=94.77, overall=47.38, \
Lipid ID=, KEGG ID= ]", ""}}, {287.2824, 14.466778, "Meta"} -> 
    {{1109687, 560402, 676695}, {"C17 Sphinganine [ C17 H37 N O2, db=99.39, \
overall=49.69, Lipid ID=LMSP01040003, KEGG ID= ]", ""}}, 
   {400.334, 14.474161, "Meta"} -> {{560817, 34563, 48133}, 
     {"(5E)-1alpha-hydroxy-3-epivitamin D_3 / \
(5E)-1alpha-hydroxy-3-epicholecalciferol [ C27 H44 O2, db=88.78, \
overall=44.39, Lipid ID=LMST03020234, KEGG ID= ]", ""}}, 
   {1194.7839, 14.473861, "Meta"} -> {{13195, 1, 1}, {"", ""}}, 
   {1168.9875, 14.479252, "Meta"} -> {{40768, 1, 1}, {"", ""}}, 
   {330.2883, 14.466946, "Meta"} -> {{211458, 140701, 150850}, {"", ""}}, 
   {320.2708, 14.478832, "Meta"} -> {{6740452, 4602537, 4148590}, 
     {"3a,20b-Pregnanediol [ C21 H36 O2, db=92.32, overall=46.16, HMP \
ID=HMDB02156, KEGG ID= ]", ""}}, {684.1372, 14.495041, "Meta"} -> 
    {{1, 39502, 1}, {"", ""}}, {418.2392, 14.489999, "Meta"} -> 
    {{1, 22583, 20476}, 
     {"Met Arg Leu [ C17 H34 N6 O4 S, db=55.58, overall=27.79 ]", ""}}, 
   {337.2972, 14.478779, "Meta"} -> {{3948964, 4005429, 4212961}, {"", ""}}, 
   {948.7409, 14.486519, "Meta"} -> {{64647, 1, 66914}, {"", ""}}, 
   {288.2448, 14.4851265, "Meta"} -> {{1, 37623, 39766}, 
     {"8-[5]-ladderane-1-octanol [ C20 H32 O, db=62.66, overall=31.33, Lipid \
ID=, KEGG ID= ]", ""}}, {380.3036, 14.478943, "Meta"} -> 
    {{411108, 388646, 339373}, {"", ""}}, {351.3139, 14.491401, "Meta"} -> 
    {{48437, 42232, 43439}, {"Anandamide (20:2, n-6) [ C22 H41 N O2, \
db=69.92, overall=34.96, Lipid ID=LMFA08040002, KEGG ID= ]", ""}}, 
   {1124.8135, 14.482899, "Meta"} -> {{44926, 66585, 45025}, {"", ""}}, 
   {654.7867, 14.500103, "Meta"} -> {{1, 38834, 1}, {"", ""}}, 
   {671.1134, 14.4969425, "Meta"} -> {{29122, 40390, 37612}, {"", ""}}, 
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    {{75516, 93275, 1}, {"", ""}}, {252.2088, 14.522425, "Meta"} -> 
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    {{450193, 183025, 124111}, {"", ""}}, {749.1626, 14.516725, "Meta"} -> 
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    {{9480386, 4632005, 4199437}, {"10-methylene-octadecanoic acid [ C19 H36 \
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    {{16787, 12014, 1}, {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, \
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     {"9-lauroleic acid [ C12 H22 O2, db=95.30, overall=47.65, Lipid \
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    {{98960, 35888, 39263}, {"", ""}}, {397.3668, 14.5889435, "Meta"} -> 
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     {"6-deoxoteasterone [ C28 H50 O3, db=57.43, overall=28.72, Lipid \
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    {{56077, 21575, 22426}, {"", ""}}, {675.7857, 14.585401, "Meta"} -> 
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   {587.268, 14.647654, "Meta"} -> {{122493, 1, 38812}, {"", ""}}, 
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    {{345043, 1, 161370}, {"GPCho(16:0/2:0[U]) [ C26 H53 N O8 P, db=80.02, \
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     {"Stearic acid [ C18 H36 O2, db=98.08, overall=49.04, KEGG ID=, CAS \
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    {{1, 509888, 306010}, {"", ""}}, {576.4755, 14.647612, "Meta"} -> 
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     {"5beta-Cholestane-3alpha,7alpha-diol [ C27 H48 O2, db=61.38, \
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   {1228.9321, 14.649517, "Meta"} -> {{575489, 570315, 628320}, {"", ""}}, 
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     {"Dihydrosphingosine [ C18 H39 N O2, db=96.01, overall=48.00, KEGG \
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    {{95587, 1, 48710}, {"2,4,6-Heptatrienoic acid, \
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O3, db=85.11, overall=42.55, KEGG ID=, CAS ID=230976-85-9 ]", 
      "230976-85-9"}}, {504.4172, 14.684583, "Meta"} -> 
    {{131458, 90319, 122466}, {"", ""}}, {572.4439, 14.696446, "Meta"} -> 
    {{430512, 305904, 1}, {"", ""}}, {420.3589, 14.700999, "Meta"} -> 
    {{119387, 65048, 38308}, {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, \
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   {672.5206, 14.677082, "Meta"} -> {{6474521, 247395, 344670}, {"", ""}}, 
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   {322.2869, 14.6890545, "Meta"} -> {{627025, 276980, 266366}, 
     {"18-methyl-5Z,9Z-eicosadienoic acid [ C21 H38 O2, db=89.79, \
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    {{1, 438913, 738782}, {"", ""}}, {710.4678, 14.679098, "Meta"} -> 
    {{270589, 38533, 44831}, {"", ""}}, {382.3195, 14.691675, "Meta"} -> 
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    {{1, 33921, 1}, {"", ""}}, {410.3753, 14.702883, "Meta"} -> 
    {{221239, 76004, 69738}, {"", ""}}, {658.4167, 14.70937, "Meta"} -> 
    {{189485, 193032, 139245}, {"", ""}}, {652.4213, 14.713416, "Meta"} -> 
    {{523087, 440927, 346146}, {"", ""}}, {316.2608, 14.722626, "Meta"} -> 
    {{665526, 740430, 452753}, {"7,8-dihydroxy stearic acid [ C18 H36 O4, \
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   {618.4829, 14.717896, "Meta"} -> {{1.61*^7, 1.61*^7, 1.24*^7}, {"", ""}}, 
   {464.3117, 14.712481, "Meta"} -> {{15300, 24512, 30112}, 
     {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic \
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   {627.543, 14.723062, "Meta"} -> {{68932, 72507, 53464}, {"", ""}}, 
   {298.2502, 14.720165, "Meta"} -> {{2935444, 3032540, 2930093}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=96.33, overall=48.16, \
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    {{316025, 165978, 203862}, {"24-Nor-5beta-cholane-3alpha,7alpha,23-triol \
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   {787.8574, 14.717876, "Meta"} -> {{32439, 1, 36875}, {"", ""}}, 
   {1248.9193, 14.717847, "Meta"} -> {{161299, 133606, 143625}, {"", ""}}, 
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   {262.2295, 14.721832, "Meta"} -> {{195479, 142455, 122692}, 
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    {{3523635, 2685168, 2439491}, {"13E,17-octadecadienoic acid [ C18 H32 O2, \
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     {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, db=66.95, overall=33.47, \
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    {{87932, 23902, 25189}, {"trans-gondoic acid [ C20 H38 O2, db=60.53, \
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   {600.472, 14.752064, "Meta"} -> {{482232, 184509, 147727}, 
     {"1-(9Z,12Z-heptadecadienoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero\
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   {716.5471, 14.760383, "Meta"} -> {{696806, 81995, 105978}, {"", ""}}, 
   {389.3293, 14.748772, "Meta"} -> {{228553, 113859, 116189}, 
     {"(-)N-(1R-methyl-2-hydroxy-ethyl) alpha,alpha-dimethylarachidonoyl \
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   {574.4596, 14.754307, "Meta"} -> {{3183978, 2826634, 2885021}, {"", ""}}, 
   {242.1877, 14.760484, "Meta"} -> {{50814, 15631, 18257}, 
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    {{144627, 1, 408482}, {"", ""}}, {444.36, 14.769503, "Meta"} -> 
    {{357256, 66643, 118302}, {"1alpha,25-dihydroxy-26,27-dimethylvitamin D3 \
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     {"1alpha-hydroxy-24-methylvitamin D2 / \
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    {{1351244, 1, 38943}, {"", ""}}, {630.3825, 14.770709, "Meta"} -> 
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    {{41843, 35146, 1}, {"", ""}}, {899.9287, 14.794801, "Meta"} -> 
    {{42423, 45624, 1}, {"", ""}}, {1096.8158, 14.800359, "Meta"} -> 
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    {{1, 1, 44915}, {"", ""}}, {1523.1302, 15.342881, "Meta"} -> 
    {{570441, 1, 521276}, {"", ""}}, {765.5677, 15.349869, "Meta"} -> 
    {{1431493, 1, 1}, {"", ""}}, {751.5519, 15.405055, "Meta"} -> 
    {{331358, 1355061, 1426614}, {"GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) [ \
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      ""}}, {1499.1285, 15.378941, "Meta"} -> {{678280, 1, 115887}, 
     {"", ""}}, {727.5516, 15.420054, "Meta"} -> {{62186, 335808, 513526}, 
     {"", ""}}, {808.6452, 15.39464, "Meta"} -> {{102043, 385506, 425331}, 
     {"", ""}}, {783.5774, 15.380324, "Meta"} -> 
    {{2.51*^7, 1.18*^7, 1.43*^7}, {"", ""}}, {821.5249, 15.379824, "Meta"} -> 
    {{66571, 369113, 363861}, {"", ""}}, {795.5782, 15.3712635, "Meta"} -> 
    {{5333599, 571734, 1}, {"", ""}}, {741.5677, 15.385919, "Meta"} -> 
    {{657887, 1066122, 1275928}, {"", ""}}, {791.5832, 15.4236, "Meta"} -> 
    {{866911, 1, 1}, {"", ""}}, {717.5673, 15.38738, "Meta"} -> 
    {{77134, 1, 1}, {"", ""}}, {771.5787, 15.402749, "Meta"} -> 
    {{809846, 551090, 1039081}, {"GPEtn(20:2(5Z,8Z)/18:0)[S] [ C43 H82 N O8 \
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   {767.5836, 15.40575, "Meta"} -> {{2226938, 4103637, 4625951}, {"", ""}}, 
   {733.5626, 15.410744, "Meta"} -> {{429325, 249719, 1}, 
     {"1,2-Dipalmitoylphosphatidylcholine [ C40 H80 N O8 P, db=98.64, \
overall=49.32, KEGG ID=, CAS ID=2644-64-6 ]", "2644-64-6"}}, 
   {1543.1584, 15.457148, "Meta"} -> {{403927, 1, 389310}, {"", ""}}, 
   {1517.1411, 15.4230995, "Meta"} -> {{656989, 540376, 873018}, {"", ""}}, 
   {747.5776, 15.491241, "Meta"} -> {{32998, 20215, 26270}, 
     {"GPEtn(21:0/15:0)[U] [ C41 H82 N O8 P, db=47.57, overall=23.78, Lipid \
ID=LMGP02010219, KEGG ID= ]", ""}}, {797.5249, 15.449998, "Meta"} -> 
    {{1, 474707, 480013}, {"", ""}}, {793.5993, 15.530659, "Meta"} -> 
    {{2124150, 4103837, 1}, {"", ""}}, {1553.1772, 15.442857, "Meta"} -> 
    {{668280, 1, 1}, {"", ""}}, {759.5772, 15.439802, "Meta"} -> 
    {{1.23*^7, 1.83*^7, 2.16*^7}, {"", ""}}, {1569.174, 15.464, "Meta"} -> 
    {{3183884, 401067, 1}, {"CL(1'-[22:1(13Z)/22:1(13Z)],3'-[22:1(13Z)/14:1(9\
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KEGG ID= ]", ""}}, {721.5195, 15.531168, "Meta"} -> 
    {{21841, 33294, 43693}, {"", ""}}, {662.4464, 15.531808, "Meta"} -> 
    {{21431, 271265, 223946}, {"", ""}}, {743.5827, 15.514, "Meta"} -> 
    {{1, 1639896, 2094322}, {"", ""}}, {784.6467, 15.513362, "Meta"} -> 
    {{1563108, 2009960, 2555073}, {"", ""}}, {707.5041, 15.531445, "Meta"} -> 
    {{14192, 127756, 131019}, {"", ""}}, {809.593, 15.475028, "Meta"} -> 
    {{6152914, 1.09*^7, 1}, {"", ""}}, {797.5939, 15.47045, "Meta"} -> 
    {{122898, 351923, 307659}, {"", ""}}, {729.5674, 15.54406, "Meta"} -> 
    {{78749, 54712, 57557}, {"", ""}}, {717.5675, 15.483757, "Meta"} -> 
    {{1, 1, 126531}, {"", ""}}, {1545.174, 15.501686, "Meta"} -> 
    {{3153090, 349112, 606639}, {"", ""}}, {810.6619, 15.540002, "Meta"} -> 
    {{4625844, 3378185, 4103978}, {"", ""}}, 
   {1609.1431, 15.548601, "Meta"} -> {{178298, 341656, 1}, {"", ""}}, 
   {785.5934, 15.537765, "Meta"} -> {{3.88*^7, 1.22*^7, 2.94*^7}, 
     {"Dioleoylphosphatidylcholine [ C44 H84 N O8 P, db=97.16, overall=48.58, \
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    {{75104, 379161, 384217}, {"", ""}}, {550.496, 15.595188, "Meta"} -> 
    {{21512, 17424, 25169}, {"1-O-(1Z-tetradecenyl)-2-(9Z-octadecenoyl)-sn-gl\
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   {823.542, 15.562964, "Meta"} -> {{109118, 774162, 812678}, 
     {"C18-OH Sulfatide [ C42 H81 N O12 S, db=59.42, overall=29.71, Lipid \
ID=LMSP06020004, KEGG ID= ]", ""}}, {772.6459, 15.576027, "Meta"} -> 
    {{389470, 183016, 225448}, {"", ""}}, {585.5337, 15.609076, "Meta"} -> 
    {{14333, 1, 30818}, {"", ""}}, {773.5942, 15.572484, "Meta"} -> 
    {{1458469, 535169, 476502}, {"GPEtn(20:0/18:1(13Z)) [ C43 H84 N O8 P, \
db=99.25, overall=49.62, Lipid ID=LMGP02010137, KEGG ID= ]", ""}}, 
   {835.6092, 15.570767, "Meta"} -> {{2236902, 876148, 851268}, {"", ""}}, 
   {645.6062, 15.626805, "Meta"} -> {{19079, 20562, 37117}, {"", ""}}, 
   {769.5986, 15.591242, "Meta"} -> {{2270533, 1, 1}, {"", ""}}, 
   {611.5487, 15.632804, "Meta"} -> {{42568, 32669, 40666}, {"", ""}}, 
   {719.5833, 15.57664, "Meta"} -> {{334016, 72933, 177134}, {"", ""}}, 
   {798.6622, 15.62175, "Meta"} -> {{2774040, 1049420, 1382299}, {"", ""}}, 
   {836.6093, 15.621436, "Meta"} -> {{31846, 121872, 78450}, 
     {"GPCho(18:0/22:5(4Z,7Z,10Z,13Z,16Z)[U]) [ C48 H87 N O8 P, db=12.94, \
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   {824.6755, 15.634373, "Meta"} -> {{1, 84435, 78063}, {"", ""}}, 
   {849.5563, 15.625002, "Meta"} -> {{144579, 177609, 196459}, {"", ""}}, 
   {811.6088, 15.61939, "Meta"} -> {{2.48*^7, 3860531, 6211341}, {"", ""}}, 
   {637.5643, 15.681285, "Meta"} -> {{132983, 63905, 64942}, {"", ""}}, 
   {745.5994, 15.617443, "Meta"} -> {{3075868, 944378, 1247552}, {"", ""}}, 
   {642.5198, 15.686833, "Meta"} -> {{105413, 79109, 88234}, 
     {"1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol [ \
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   {1581.206, 15.608842, "Meta"} -> {{1208322, 1, 1}, {"", ""}}, 
   {795.6145, 15.647944, "Meta"} -> {{1.25*^7, 3524640, 4511502}, {"", ""}}, 
   {833.5642, 15.6496105, "Meta"} -> {{30857, 88235, 90599}, {"", ""}}, 
   {964.5729, 15.654156, "Meta"} -> {{118796, 61734, 65474}, {"", ""}}, 
   {786.6616, 15.680306, "Meta"} -> {{2244019, 740439, 1175040}, {"", ""}}, 
   {633.6055, 15.705123, "Meta"} -> {{15580, 1, 14935}, {"", ""}}, 
   {799.6104, 15.65322, "Meta"} -> {{823756, 165815, 191345}, 
     {"GPEtn(20:0/20:2(11Z,14Z)) [ C45 H86 N O8 P, db=93.83, overall=46.92, \
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    {{63970, 1, 1}, {"", ""}}, {812.6763, 15.714558, "Meta"} -> 
    {{2.69*^7, 6247896, 8233336}, {"", ""}}, {821.6306, 15.726869, "Meta"} -> 
    {{3690202, 715718, 908588}, {"", ""}}, {819.1161, 15.720408, "Meta"} -> 
    {{317031, 93462, 110319}, {"", ""}}, {910.646, 15.731829, "Meta"} -> 
    {{196030, 121728, 185135}, {"", ""}}, {837.6252, 15.705371, "Meta"} -> 
    {{3861756, 1, 555301}, {"", ""}}, {956.5681, 15.719221, "Meta"} -> 
    {{638672, 79978, 83329}, {"", ""}}, {787.6087, 15.709487, "Meta"} -> 
    {{8023326, 5123080, 6565362}, {"", ""}}, {771.6146, 15.732927, "Meta"} -> 
    {{4167492, 762429, 1036530}, {"", ""}}, {901.5499, 15.709517, "Meta"} -> 
    {{640350, 108515, 1}, {"", ""}}, {885.5777, 15.722668, "Meta"} -> 
    {{368111, 1, 192714}, {"", ""}}, {838.69, 15.756972, "Meta"} -> 
    {{174641, 39983, 1}, {"", ""}}, {826.6931, 15.772778, "Meta"} -> 
    {{2183046, 351455, 430803}, {"", ""}}, {578.5272, 15.79175, "Meta"} -> 
    {{741625, 142559, 224760}, {"", ""}}, {646.4517, 15.798346, "Meta"} -> 
    {{37512, 51925, 84454}, {"GPA(14:0/18:1(9Z)) [ C35 H67 O8 P, db=53.75, \
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   {629.6106, 15.80247, "Meta"} -> {{89527, 20000, 29582}, {"", ""}}, 
   {647.6218, 15.803638, "Meta"} -> {{522039, 158910, 210658}, 
     {"Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, db=94.85, overall=47.43, \
HMP ID=HMDB04953, KEGG ID= ]", ""}}, {618.52, 15.807126, "Meta"} -> 
    {{1132129, 442412, 687802}, {"1-octadecanoyl-2-(9Z,12Z,15Z-octadecatrieno\
yl)-sn-glycerol [ C39 H70 O5, db=91.14, overall=45.57, KEGG ID=, CAS ID= ]", 
      ""}}, {800.6776, 15.794722, "Meta"} -> {{2493210, 274403, 443759}, 
     {"", ""}}, {613.5643, 15.813304, "Meta"} -> {{1138053, 178084, 324641}, 
     {"", ""}}, {720.5875, 15.822541, "Meta"} -> {{1, 77600, 102148}, 
     {"GPCho(O-16:0/16:0) [ C40 H83 N O7 P, db=74.12, overall=37.06, Lipid \
ID=LMGP01020029, KEGG ID= ]", ""}}, {863.6402, 15.794833, "Meta"} -> 
    {{512696, 1, 1}, {"", ""}}, {661.637, 15.824202, "Meta"} -> 
    {{75055, 1, 33745}, {"", ""}}, {813.6251, 15.798603, "Meta"} -> 
    {{5270059, 387603, 553059}, {"", ""}}, {847.6456, 15.813998, "Meta"} -> 
    {{2908135, 1, 276585}, {"", ""}}, {551.4249, 15.827079, "Meta"} -> 
    {{31304, 1, 1}, {"", ""}}, {797.6297, 15.801678, "Meta"} -> 
    {{3616551, 245708, 424460}, {"", ""}}, {661.4929, 15.831914, "Meta"} -> 
    {{60019, 200331, 166054}, {"", ""}}, {605.6104, 15.850416, "Meta"} -> 
    {{194301, 15782, 23511}, {"", ""}}, {834.2323, 15.869839, "Meta"} -> 
    {{1, 46084, 35272}, {"", ""}}, {831.2332, 15.870869, "Meta"} -> 
    {{163554, 108841, 104207}, {"", ""}}, {627.5816, 15.898941, "Meta"} -> 
    {{217690, 34460, 51881}, {"", ""}}, {631.6267, 15.875499, "Meta"} -> 
    {{286555, 43512, 70604}, {"", ""}}, {592.5431, 15.88767, "Meta"} -> 
    {{111147, 16805, 28526}, {"", ""}}, {801.6253, 15.848322, "Meta"} -> 
    {{882953, 1, 44066}, {"GPEtn(22:1(13Z)/18:0)[U] [ C45 H88 N O8 P, \
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   {632.5355, 15.902878, "Meta"} -> {{178869, 70151, 112834}, 
     {"1-(9Z-heptadecenoyl)-2-(11Z,14Z-eicosadienoyl)-sn-glycerol [ C40 H72 \
O5, db=87.97, overall=43.98, KEGG ID=, CAS ID= ]", ""}}, 
   {839.6394, 15.8606, "Meta"} -> {{810055, 1, 58570}, {"", ""}}, 
   {814.6932, 15.912194, "Meta"} -> {{5080508, 394806, 686897}, {"", ""}}, 
   {852.6397, 15.911029, "Meta"} -> {{200720, 41051, 38389}, {"", ""}}, 
   {773.63, 15.906822, "Meta"} -> {{2266970, 1, 165142}, {"", ""}}, 
   {823.6456, 15.917723, "Meta"} -> {{6554399, 372118, 577131}, {"", ""}}, 
   {649.6372, 15.946309, "Meta"} -> {{320853, 48535, 74911}, 
     {"N-Lignoceroylsphingosine [ C42 H83 N O3, db=98.89, overall=49.44, HMP \
ID=HMDB00831, KEGG ID= ]", ""}}, {861.593, 15.911041, "Meta"} -> 
    {{145370, 1, 1}, {"", ""}}, {849.6617, 15.960544, "Meta"} -> 
    {{8529097, 332112, 420915}, {"", ""}}, {606.5589, 16.002474, "Meta"} -> 
    {{2196339, 167236, 276369}, {"", ""}}, {887.608, 15.950258, "Meta"} -> 
    {{128795, 1, 1}, {"", ""}}, {646.5512, 16.021963, "Meta"} -> 
    {{1, 639590, 1195972}, {"1-(9Z-octadecenoyl)-2-(11Z,14Z-eicosadienoyl)-sn\
-glycerol [ C41 H74 O5, db=90.48, overall=45.24, KEGG ID=, CAS ID= ]", ""}}, 
   {669.6274, 16.021229, "Meta"} -> {{565983, 24693, 50044}, {"", ""}}, 
   {663.653, 16.021738, "Meta"} -> {{93509, 1, 1}, {"Ceramide (d18:1/25:0) [ \
C43 H85 N O3, db=93.46, overall=46.73, HMP ID=HMDB04957, KEGG ID= ]", ""}}, 
   {580.3012, 15.999072, "Meta"} -> {{147228, 52737, 64637}, {"", ""}}, 
   {641.5965, 16.03561, "Meta"} -> {{3551938, 187344, 395316}, {"", ""}}, 
   {633.6424, 16.0732, "Meta"} -> {{399635, 15333, 59278}, {"", ""}}, 
   {875.6776, 16.05178, "Meta"} -> {{7124765, 351270, 483345}, {"", ""}}, 
   {877.6932, 16.229668, "Meta"} -> {{1.04*^7, 463690, 500947}, {"", ""}}, 
   {903.7076, 16.322107, "Meta"} -> {{1731035, 1, 1}, {"", ""}}, 
   {958.9559, 0.36646155, "Meta"} -> {{31073, 1, 33154}, {"", ""}}, 
   {2422.0625, 0.37100002, "Meta"} -> {{1, 28109, 1}, {"", ""}}, 
   {1742.01, 0.37975758, "Meta"} -> {{1, 36741, 38671}, {"", ""}}, 
   {1578.0028, 0.38074994, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1988.023, 0.37995836, "Meta"} -> {{1, 24236, 1}, {"", ""}}, 
   {1824.0161, 0.38057694, "Meta"} -> {{1, 31416, 1}, {"", ""}}, 
   {547.9159, 0.39203572, "Meta"} -> {{130809, 1, 120961}, {"", ""}}, 
   {721.7918, 0.40096295, "Meta"} -> {{74872, 1, 1}, {"", ""}}, 
   {557.7853, 0.40799993, "Meta"} -> {{145351, 127924, 121708}, {"", ""}}, 
   {791.6165, 0.41215378, "Meta"} -> {{38467, 36009, 14951}, {"", ""}}, 
   {633.7165, 0.41170967, "Meta"} -> {{24921, 24557, 24316}, {"", ""}}, 
   {252.1202, 0.45106667, "Meta"} -> {{89739, 61877, 52118}, 
     {"Pro His [ C11 H16 N4 O3, db=76.47, overall=38.23 ]", ""}}, 
   {246.1942, 0.46209374, "Meta"} -> {{68850, 66895, 64876}, {"", ""}}, 
   {278.1842, 0.46203128, "Meta"} -> {{90465, 1, 75740}, {"", ""}}, 
   {304.1997, 0.46772003, "Meta"} -> {{34148, 1, 26773}, {"", ""}}, 
   {218.1628, 0.46839395, "Meta"} -> {{114679, 101370, 94290}, {"", ""}}, 
   {274.1643, 0.46503848, "Meta"} -> {{33709, 1, 38588}, 
     {"Ala Gly Lys [ C11 H22 N4 O4, db=47.47, overall=23.74 ]", ""}}, 
   {380.0201, 0.5091111, "Meta"} -> {{350578, 289815, 1}, {"", ""}}, 
   {352.0515, 0.53367996, "Meta"} -> {{64227, 54594, 54197}, {"", ""}}, 
   {135.068, 0.55345714, "Meta"} -> {{205242, 188804, 166549}, 
     {"2-Phenylacetamide [ C8 H9 N O, db=85.97, overall=42.98, KEGG \
ID=C02505, CAS ID=103-81-1 ]", "103-81-1"}}, {281.1835, 0.605074, "Meta"} -> 
    {{38135, 63161, 37839}, {"", ""}}, {115.0629, 0.69411117, "Meta"} -> 
    {{444474, 88478, 324900}, {"Proline [ C5 H9 N O2, db=79.13, \
overall=39.57, KEGG ID=C00148, CAS ID=147-85-3 ]", "147-85-3"}}, 
   {131.0587, 0.6995, "Meta"} -> {{164373, 185913, 160478}, 
     {"Trans-4-Hydroxy-L-proline [ C5 H9 N O3, db=60.12, overall=30.06, KEGG \
ID=, CAS ID=51-35-4 ]", "51-35-4"}}, {526.0667, 0.66112, "Meta"} -> 
    {{33177, 30136, 1}, {"", ""}}, {380.0206, 0.6642414, "Meta"} -> 
    {{282282, 249694, 201551}, {"", ""}}, {306.0645, 0.74877775, "Meta"} -> 
    {{108673, 55928, 1}, {"", ""}}, {382.1085, 0.74347997, "Meta"} -> 
    {{85118, 1, 79113}, {"", ""}}, {345.1429, 0.8536799, "Meta"} -> 
    {{59431, 54642, 46327}, {"", ""}}, {138.0291, 0.95441395, "Meta"} -> 
    {{1, 61995, 59580}, {"", ""}}, {172.0702, 0.99353826, "Meta"} -> 
    {{1, 2.41*^7, 1}, {"", ""}}, {167.1155, 1.0165, "Meta"} -> 
    {{493856, 492642, 1}, {"", ""}}, {374.102, 1.0232002, "Meta"} -> 
    {{133453, 90778, 1}, {"", ""}}, {143.0731, 1.2776923, "Meta"} -> 
    {{1, 362368, 330195}, {"", ""}}, {145.0524, 1.2775834, "Meta"} -> 
    {{1, 662752, 530701}, {"Isoquinoline N-oxide [ C9 H7 N O, db=90.43, \
overall=45.21, KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, 
   {219.1104, 1.44356, "Meta"} -> {{48356, 42044, 39475}, 
     {"Pantothenic Acid [ C9 H17 N O5, db=54.47, overall=27.23, KEGG ID=, CAS \
ID=137-08-6 ]", "137-08-6"}}, {309.1688, 3.743654, "Meta"} -> 
    {{1, 45970, 31458}, 
     {"Pro Pro Pro [ C15 H23 N3 O4, db=83.74, overall=41.87 ]", ""}}, 
   {579.254, 6.318081, "Meta"} -> {{30173, 24474, 23103}, 
     {"2-[[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-Ethane\
sulfonic acid [ C26 H45 N O9 S2, db=83.71, overall=41.85, HMP ID=HMDB02449, \
KEGG ID= ]", ""}}, {419.4932, 6.474, "Meta"} -> {{36580, 23053, 12177}, 
     {"", ""}}, {723.3073, 6.4805007, "Meta"} -> {{21685, 1, 17030}, 
     {"", ""}}, {420.8636, 6.645, "Meta"} -> {{62779, 73688, 63549}, 
     {"", ""}}, {414.1035, 7.120406, "Meta"} -> {{18149, 23984, 20827}, 
     {"", ""}}, {1517.675, 7.538903, "Meta"} -> {{32071, 55262, 41056}, 
     {"", ""}}, {1106.4865, 7.75332, "Meta"} -> {{1, 33976, 1}, {"", ""}}, 
   {427.849, 7.8510604, "Meta"} -> {{70049, 70267, 60266}, {"", ""}}, 
   {239.9882, 8.1396, "Meta"} -> {{32006, 226173, 34480}, {"", ""}}, 
   {313.2252, 8.670879, "Meta"} -> {{48460, 32311, 1}, {"", ""}}, 
   {465.1866, 8.675655, "Meta"} -> {{1, 61285, 1}, {"Biotripyrrin-b [ C25 H27 \
N3 O6, db=43.66, overall=21.83, HMP ID=HMDB03324, KEGG ID= ]", ""}}, 
   {602.3041, 9.497844, "Meta"} -> {{17837, 19436, 19922}, {"", ""}}, 
   {559.2988, 9.497002, "Meta"} -> {{21374, 22384, 1}, {"", ""}}, 
   {263.127, 9.515958, "Meta"} -> {{59357, 48229, 41423}, {"", ""}}, 
   {420.2259, 9.685075, "Meta"} -> {{47376, 1, 30238}, 
     {"His His Lys [ C18 H28 N8 O4, db=54.50, overall=27.25 ]", ""}}, 
   {240.1338, 9.749299, "Meta"} -> {{76707, 64384, 62583}, {"", ""}}, 
   {176.0454, 9.963879, "Meta"} -> {{1, 39691, 49038}, {"", ""}}, 
   {533.1125, 10.0555, "Meta"} -> {{31573, 20375, 15259}, 
     {"Indomethacin glucuronide [ C25 H24 Cl N O10, db=40.58, overall=20.29, \
KEGG ID=, CAS ID=75523-11-4 ]", "75523-11-4"}}, 
   {593.1437, 10.055286, "Meta"} -> {{30490, 29118, 21496}, {"", ""}}, 
   {536.1192, 10.055125, "Meta"} -> {{16201, 1, 1}, {"", ""}}, 
   {335.1544, 10.10977, "Meta"} -> {{1, 26164, 30042}, 
     {"Cys Leu Thr [ C13 H25 N3 O5 S, db=37.55, overall=18.77 ]", ""}}, 
   {630.2684, 10.324069, "Meta"} -> {{64476, 41201, 35365}, {"", ""}}, 
   {219.129, 10.36744, "Meta"} -> {{92534, 58147, 139978}, {"", ""}}, 
   {250.1198, 10.418655, "Meta"} -> {{1, 22917, 26477}, 
     {"Ubiquinone [ C14 H18 O4, db=60.72, overall=30.36, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {302.184, 10.730654, "Meta"} -> 
    {{1, 42812, 40533}, {"", ""}}, {323.228, 10.9723625, "Meta"} -> 
    {{1314527, 119191, 24163}, {"", ""}}, {171.162, 11.016933, "Meta"} -> 
    {{45671, 31296, 21778}, {"", ""}}, {564.3483, 11.143167, "Meta"} -> 
    {{119389, 95861, 1}, {"", ""}}, {273.0832, 11.159881, "Meta"} -> 
    {{44461, 34030, 59168}, {"", ""}}, {503.2805, 11.289723, "Meta"} -> 
    {{1, 16891, 18898}, {"", ""}}, {396.1934, 11.289607, "Meta"} -> 
    {{34516, 1, 1}, {"Pregnenolone sulfate [ C21 H32 O5 S, db=58.26, \
overall=29.13, HMP ID=HMDB00774, KEGG ID= ]", ""}}, 
   {475.2532, 11.290502, "Meta"} -> {{1, 43722, 39044}, {"", ""}}, 
   {632.2486, 11.370108, "Meta"} -> {{1, 143345, 131542}, {"", ""}}, 
   {580.226, 11.39536, "Meta"} -> {{21628, 19515, 18293}, {"", ""}}, 
   {456.167, 11.397059, "Meta"} -> {{29101, 35281, 25578}, {"", ""}}, 
   {395.3032, 11.612541, "Meta"} -> {{45339, 1, 1}, {"", ""}}, 
   {360.3347, 11.940929, "Meta"} -> {{1, 17097, 16333}, {"", ""}}, 
   {171.1081, 11.943874, "Meta"} -> {{284195, 346122, 237741}, {"", ""}}, 
   {396.2831, 12.028556, "Meta"} -> {{510393, 60803, 1}, {"", ""}}, 
   {313.2616, 12.047375, "Meta"} -> {{300142, 314106, 654793}, {"", ""}}, 
   {842.5207, 12.128361, "Meta"} -> {{71268, 78380, 50659}, 
     {"Spiramycin 1 [ C43 H74 N2 O14, db=60.72, overall=30.36, KEGG \
ID=C01754, CAS ID=24916-50-5 ]", "24916-50-5"}}, 
   {604.1137, 12.167592, "Meta"} -> {{41152, 19657, 9904}, {"", ""}}, 
   {381.9989, 12.185469, "Meta"} -> {{34598, 17315, 1}, {"", ""}}, 
   {572.2186, 12.2466, "Meta"} -> {{25936, 23026, 17471}, {"", ""}}, 
   {396.1641, 12.277833, "Meta"} -> {{29980, 33446, 27523}, 
     {"Asn Tyr Thr [ C17 H24 N4 O7, db=61.81, overall=30.90 ]", ""}}, 
   {254.0726, 12.292558, "Meta"} -> {{90548, 29633, 14620}, 
     {"Acetaminophen-cysteine [ C11 H14 N2 O3 S, db=76.73, overall=38.36, \
KEGG ID=, CAS ID=64014-06-8 ]", "64014-06-8"}}, 
   {322.1171, 12.32875, "Meta"} -> {{54137, 45225, 24724}, {"", ""}}, 
   {614.4236, 12.339584, "Meta"} -> {{114909, 1, 89647}, {"", ""}}, 
   {323.2098, 12.388596, "Meta"} -> {{1, 49506, 65925}, 
     {"Betaxolol(hydroxylation) [ C18 H29 N O4, db=71.49, overall=35.74, KEGG \
ID=, CAS ID=87549-35-7 ]", "87549-35-7"}}, {618.251, 12.430832, "Meta"} -> 
    {{41289, 40512, 31717}, {"", ""}}, {438.3565, 12.462166, "Meta"} -> 
    {{31661, 1, 1}, {"", ""}}, {724.4581, 12.46508, "Meta"} -> 
    {{58914, 52433, 43868}, {"", ""}}, {336.228, 12.510321, "Meta"} -> 
    {{1, 86503, 96358}, {"15-epi-PGA1 [ C20 H32 O4, db=70.01, overall=35.01, \
Lipid ID=LMFA03010047, KEGG ID= ]", ""}}, {431.3032, 12.516041, "Meta"} -> 
    {{276784, 1, 229642}, {"", ""}}, {339.2776, 12.558571, "Meta"} -> 
    {{72571, 73617, 73770}, {"", ""}}, {359.2849, 12.620791, "Meta"} -> 
    {{172048, 58388, 1}, {"", ""}}, {1120.5815, 12.721594, "Meta"} -> 
    {{1, 39662, 53738}, {"", ""}}, {360.0762, 12.647442, "Meta"} -> 
    {{35767, 15112, 20515}, {"", ""}}, {870.5521, 12.68296, "Meta"} -> 
    {{71035, 57835, 40156}, {"", ""}}, {594.374, 12.7149315, "Meta"} -> 
    {{1, 68747, 47478}, {"7,8-Didehydroastaxanthin [ C40 H50 O4, db=74.93, \
overall=37.46, Lipid ID=LMPR01070051, KEGG ID= ]", ""}}, 
   {909.6228, 12.728479, "Meta"} -> {{48825, 57183, 40891}, {"", ""}}, 
   {372.2657, 12.741412, "Meta"} -> {{18443, 19306, 22443}, 
     {"(22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid [ C24 H36 O3, db=63.76, \
overall=31.88, Lipid ID=, KEGG ID= ]", ""}}, {354.3241, 12.753935, "Meta"} -> 
    {{24544, 36087, 33590}, {"", ""}}, {633.4446, 12.767465, "Meta"} -> 
    {{46321, 52606, 48937}, {"", ""}}, {638.4002, 12.7673855, "Meta"} -> 
    {{1, 41934, 1}, {"", ""}}, {546.238, 12.80944, "Meta"} -> 
    {{77812, 1, 1}, {"", ""}}, {430.2145, 12.858498, "Meta"} -> 
    {{1, 50881, 60022}, {"", ""}}, {381.2643, 12.864834, "Meta"} -> 
    {{88450, 1, 1}, {"Sphinganine 1-phosphate [ C18 H40 N O5 P, db=61.19, \
overall=30.59, KEGG ID=C01120, CAS ID=19794-97-9 ]", "19794-97-9"}}, 
   {598.4292, 12.9028635, "Meta"} -> {{334378, 372118, 319282}, {"", ""}}, 
   {914.5791, 12.90653, "Meta"} -> {{42427, 52124, 34013}, {"", ""}}, 
   {909.6228, 12.903775, "Meta"} -> {{36066, 1, 33288}, {"", ""}}, 
   {262.1504, 12.906483, "Meta"} -> {{53200, 49714, 24843}, {"", ""}}, 
   {1613.9202, 12.9604435, "Meta"} -> {{35623, 1, 115368}, {"", ""}}, 
   {519.8025, 12.93093, "Meta"} -> {{68140, 37706, 1}, {"", ""}}, 
   {982.6032, 12.922208, "Meta"} -> {{52522, 1, 1}, {"", ""}}, 
   {1024.6497, 12.9421835, "Meta"} -> {{485095, 1, 22552}, {"", ""}}, 
   {1148.6115, 12.963801, "Meta"} -> {{54219, 1, 1}, {"", ""}}, 
   {507.3326, 12.98204, "Meta"} -> {{97930, 1, 1}, {"", ""}}, 
   {1559.8555, 12.970627, "Meta"} -> {{38956, 1, 1}, {"", ""}}, 
   {1042.6005, 12.993199, "Meta"} -> {{216704, 1, 1}, {"", ""}}, 
   {1037.118, 13.003001, "Meta"} -> {{27961, 17418, 15548}, {"", ""}}, 
   {427.3661, 13.001041, "Meta"} -> {{510074, 1, 1}, 
     {"Stearoylcarnitine [ C25 H49 N O4, db=99.56, overall=49.78, HMP \
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    {{146906, 171435, 188303}, {"", ""}}, {3153.9402, 13.013799, "Meta"} -> 
    {{1, 1, 133861}, {"", ""}}, {1062.6643, 13.043032, "Meta"} -> 
    {{3.55*^7, 221532, 1}, {"", ""}}, {1691.9418, 13.075117, "Meta"} -> 
    {{45597, 1, 1}, {"", ""}}, {1124.6125, 13.074121, "Meta"} -> 
    {{409370, 257524, 1}, {"", ""}}, {840.5426, 13.075176, "Meta"} -> 
    {{142074, 180708, 149892}, {"", ""}}, {1610.915, 13.078408, "Meta"} -> 
    {{150092, 1, 157526}, {"", ""}}, {183.0655, 13.115752, "Meta"} -> 
    {{197234, 1, 1}, {"", ""}}, {2538.609, 13.147432, "Meta"} -> 
    {{58971, 1, 162094}, {"", ""}}, {2562.6084, 13.136644, "Meta"} -> 
    {{145848, 123832, 29175}, {"", ""}}, {545.2796, 13.128334, "Meta"} -> 
    {{27816, 1, 1}, {"", ""}}, {1553.9612, 13.132172, "Meta"} -> 
    {{139602, 1, 22032}, {"", ""}}, {569.3479, 13.150904, "Meta"} -> 
    {{1245457, 244691, 242495}, {"", ""}}, {1354.8588, 13.150917, "Meta"} -> 
    {{41308, 1, 1}, {"", ""}}, {1645.9559, 13.165126, "Meta"} -> 
    {{60934, 1, 52833}, {"", ""}}, {559.2929, 13.138584, "Meta"} -> 
    {{123512, 163835, 1}, {"", ""}}, {384.2382, 13.160249, "Meta"} -> 
    {{28478, 1, 1}, {"", ""}}, {883.525, 13.1601515, "Meta"} -> 
    {{106146, 1, 1}, {"", ""}}, {319.2722, 13.161035, "Meta"} -> 
    {{401427, 1, 101547}, {"", ""}}, {662.3214, 13.161371, "Meta"} -> 
    {{30625, 1, 11653}, {"", ""}}, {643.322, 13.174154, "Meta"} -> 
    {{1, 30787, 35099}, {"", ""}}, {583.2961, 13.172579, "Meta"} -> 
    {{142149, 83511, 1}, {"", ""}}, {1505.898, 13.17625, "Meta"} -> 
    {{28042, 1, 1}, {"", ""}}, {970.6001, 13.182221, "Meta"} -> 
    {{393703, 32793, 75493}, {"", ""}}, {3039.9446, 13.20112, "Meta"} -> 
    {{58469, 1, 114529}, {"", ""}}, {2967.8972, 13.195209, "Meta"} -> 
    {{38314, 1, 1}, {"", ""}}, {2498.639, 13.222151, "Meta"} -> 
    {{451787, 155710, 59463}, {"", ""}}, {1512.0118, 13.256168, "Meta"} -> 
    {{283442, 1, 1}, {"", ""}}, {788.5499, 13.282076, "Meta"} -> 
    {{1, 423704, 359248}, {"", ""}}, {1557.9952, 13.283399, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {2664.6548, 13.3012495, "Meta"} -> 
    {{196976, 1, 1}, {"", ""}}, {1558.4962, 13.295667, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1152.6416, 13.311076, "Meta"} -> 
    {{1, 98815, 72310}, {"", ""}}, {861.5413, 13.332082, "Meta"} -> 
    {{27265, 1, 1}, {"", ""}}, {400.2826, 13.33677, "Meta"} -> 
    {{75146, 1, 18498}, 
     {"Ile Arg Ile [ C18 H36 N6 O4, db=62.53, overall=31.27 ]", ""}}, 
   {920.6287, 13.335076, "Meta"} -> {{267885, 1, 1}, {"", ""}}, 
   {426.2297, 13.336428, "Meta"} -> {{19856, 1, 1}, 
     {"GPCho(5:0/5:0) [ C18 H37 N O8 P, db=46.03, overall=23.02, Lipid \
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    {{63195, 1, 1}, {"", ""}}, {1575.9764, 13.367161, "Meta"} -> 
    {{133897, 1, 91257}, {"", ""}}, {2659.657, 13.395823, "Meta"} -> 
    {{411777, 1, 49015}, {"", ""}}, {808.9824, 13.395445, "Meta"} -> 
    {{330128, 63928, 1}, {"", ""}}, {2644.688, 13.389333, "Meta"} -> 
    {{1503446, 74227, 149556}, {"", ""}}, {808.4806, 13.3991, "Meta"} -> 
    {{406284, 90320, 109252}, {"", ""}}, {1113.7596, 13.39512, "Meta"} -> 
    {{81202, 21453, 67506}, {"", ""}}, {638.4015, 13.413879, "Meta"} -> 
    {{131302, 222893, 1}, {"", ""}}, {1157.7856, 13.415817, "Meta"} -> 
    {{115172, 169840, 129573}, {"", ""}}, {1638.9432, 13.424121, "Meta"} -> 
    {{101146, 42720, 45766}, {"", ""}}, {849.4905, 13.4387865, "Meta"} -> 
    {{40168, 87577, 1}, {"", ""}}, {1206.769, 13.446911, "Meta"} -> 
    {{53518, 85984, 75211}, {"", ""}}, {333.2878, 13.4534, "Meta"} -> 
    {{69314, 1, 28153}, {"", ""}}, {1245.8365, 13.452714, "Meta"} -> 
    {{1, 70606, 1}, {"", ""}}, {467.3008, 13.459519, "Meta"} -> 
    {{147102, 1, 1}, {"Myristoyl L-a-lysophosphatidylcholine [ C22 H46 N O7 \
P, db=89.84, overall=44.92, KEGG ID=, CAS ID=20559-16-4 ]", "20559-16-4"}}, 
   {455.3972, 13.465623, "Meta"} -> {{81589, 1, 1}, {"", ""}}, 
   {1030.697, 13.476875, "Meta"} -> {{2721052, 1, 1}, {"", ""}}, 
   {974.67, 13.490923, "Meta"} -> {{163566, 1, 1}, {"", ""}}, 
   {324.3139, 13.500629, "Meta"} -> {{1, 34522, 35025}, {"", ""}}, 
   {1215.6465, 13.513207, "Meta"} -> {{40076, 1, 1}, {"", ""}}, 
   {630.2702, 13.511028, "Meta"} -> {{313451, 1, 225248}, {"", ""}}, 
   {669.3311, 13.519043, "Meta"} -> {{19969, 1, 1}, {"", ""}}, 
   {956.6267, 13.53476, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {390.1793, 13.5351515, "Meta"} -> {{59665, 92214, 72917}, {"", ""}}, 
   {424.259, 13.54431, "Meta"} -> {{280394, 1, 1}, {"1-heptadecanoyl-sn-glyce\
rol 3-phosphate [ C20 H41 O7 P, db=78.47, overall=39.23, KEGG ID=, CAS ID= ]"\
, ""}}, {244.2192, 13.546301, "Meta"} -> {{65563, 1, 1}, {"", ""}}, 
   {1002.7006, 13.568126, "Meta"} -> {{256402, 1, 1}, {"", ""}}, 
   {976.6852, 13.575584, "Meta"} -> {{212018, 1, 1}, {"", ""}}, 
   {1056.7117, 13.578376, "Meta"} -> {{161394, 1, 1}, {"", ""}}, 
   {797.5224, 13.576999, "Meta"} -> {{65762, 103552, 64275}, {"", ""}}, 
   {1127.7758, 13.584821, "Meta"} -> {{224967, 474038, 184407}, {"", ""}}, 
   {650.3126, 13.582882, "Meta"} -> {{31034, 1, 1}, {"", ""}}, 
   {1028.7163, 13.588923, "Meta"} -> {{278567, 1, 1}, {"", ""}}, 
   {645.3362, 13.599116, "Meta"} -> {{40456, 1, 1}, {"", ""}}, 
   {1188.8286, 13.598631, "Meta"} -> {{114889, 1, 1}, {"", ""}}, 
   {889.5718, 13.618206, "Meta"} -> {{61515, 1, 1}, {"", ""}}, 
   {330.2768, 13.61125, "Meta"} -> {{1, 306650, 513056}, 
     {"1-hexadecanoyl-sn-glycerol [ C19 H38 O4, db=72.01, overall=36.01, KEGG \
ID=, CAS ID= ]", ""}}, {406.2029, 13.630459, "Meta"} -> 
    {{1, 18291, 1}, 
     {"Thr Met Arg [ C15 H30 N6 O5 S, db=36.71, overall=18.35 ]", ""}}, 
   {370.2482, 13.64018, "Meta"} -> {{115354, 1, 1}, 
     {"(20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid [ C24 H34 O3, \
db=71.09, overall=35.55, Lipid ID=, KEGG ID= ]", ""}}, 
   {404.2562, 13.6432905, "Meta"} -> {{47981, 42280, 1}, 
     {"3alpha-Hydroxy-1,7-dioxo-5beta-cholan-24-oic Acid [ C24 H36 O5, \
db=66.41, overall=33.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {286.2291, 13.665809, "Meta"} -> {{67580, 43278, 33582}, 
     {"11-cis-Retinol [ C20 H30 O, db=65.17, overall=32.58, Lipid \
ID=LMPR01090005, KEGG ID=C00899 ]", ""}}, {1352.865, 13.6438, "Meta"} -> 
    {{153837, 1, 1}, {"", ""}}, {545.8475, 13.691209, "Meta"} -> 
    {{26481, 1, 13483}, {"", ""}}, {1068.7097, 13.687207, "Meta"} -> 
    {{326109, 1, 1}, {"", ""}}, {325.2975, 13.681, "Meta"} -> 
    {{52664, 1, 1}, {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, db=58.16, \
overall=29.08, KEGG ID=, CAS ID= ]", ""}}, {701.5288, 13.692271, "Meta"} -> 
    {{86476, 73278, 59713}, {"", ""}}, {1372.908, 13.695891, "Meta"} -> 
    {{150347, 1, 1}, {"", ""}}, {1523.95, 13.699626, "Meta"} -> 
    {{73597, 1, 1}, {"", ""}}, {1004.6844, 13.699296, "Meta"} -> 
    {{725184, 1, 17701}, {"", ""}}, {1000.5864, 13.70054, "Meta"} -> 
    {{28324, 1, 1}, {"", ""}}, {410.2824, 13.69748, "Meta"} -> 
    {{155283, 1, 1}, {"24,25-epoxy-1alpha-hydroxy-22,22,23,23-tetradehydrovit\
amin D3 / 24,25-epoxy-1alpha-hydroxy-22,22,23, [ C27 H38 O3, db=51.02, \
overall=25.51, Lipid ID=LMST03020093, KEGG ID= ]", ""}}, 
   {943.6419, 13.711121, "Meta"} -> {{41100, 1, 1}, {"", ""}}, 
   {375.3339, 13.70792, "Meta"} -> {{189406, 1, 1}, {"", ""}}, 
   {452.2117, 13.705769, "Meta"} -> {{82653, 1, 1}, 
     {"2H-Indol-2-one, 4-[2-(dipropylamino)ethyl]-1,3-dihydro-7-hydroxy- \
glucuronide [ C22 H32 N2 O8, db=34.12, overall=17.06, KEGG ID=, CAS \
ID=106916-15-8 ]", "106916-15-8"}}, {867.6142, 13.707126, "Meta"} -> 
    {{41719, 1, 1}, {"", ""}}, {1343.0792, 13.708042, "Meta"} -> 
    {{61937, 1, 1}, {"", ""}}, {1028.7784, 13.708222, "Meta"} -> 
    {{612332, 1, 70815}, {"TG(22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/2\
2:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] [ C69 H104 O6, db=80.38, overall=40.19, \
Lipid ID=LMGL03012602, KEGG ID= ]", ""}}, {142.0626, 13.712159, "Meta"} -> 
    {{1, 26797, 25250}, {"7-hydroxy-5-heptynoic acid [ C7 H10 O3, db=77.60, \
overall=38.80, Lipid ID=, KEGG ID= ]", ""}}, {891.5883, 13.727132, "Meta"} -> 
    {{293232, 1, 66468}, {"", ""}}, {948.6602, 13.717423, "Meta"} -> 
    {{646831, 511698, 542761}, {"", ""}}, {906.56, 13.726791, "Meta"} -> 
    {{89202, 1, 1}, {"", ""}}, {909.5629, 13.730292, "Meta"} -> 
    {{63785, 1, 1}, {"", ""}}, {1036.7156, 13.737922, "Meta"} -> 
    {{152263, 65451, 105916}, {"", ""}}, {1097.7646, 13.7401, "Meta"} -> 
    {{365027, 1, 1}, {"", ""}}, {1570.0927, 13.769002, "Meta"} -> 
    {{1499397, 1, 24079}, {"", ""}}, {1215.6873, 13.76275, "Meta"} -> 
    {{49760, 1, 1}, {"", ""}}, {605.3553, 13.761167, "Meta"} -> 
    {{138729, 1, 54006}, {"", ""}}, {1614.0557, 13.773646, "Meta"} -> 
    {{383126, 33992, 74716}, {"", ""}}, {2654.766, 13.775891, "Meta"} -> 
    {{2021516, 1, 41946}, {"", ""}}, {2146.3713, 13.775643, "Meta"} -> 
    {{1111508, 18615, 1}, {"", ""}}, {1317.8951, 13.782828, "Meta"} -> 
    {{87936, 63707, 1}, {"", ""}}, {486.2722, 13.799001, "Meta"} -> 
    {{38039, 1, 21707}, {"", ""}}, {1493.9999, 13.813615, "Meta"} -> 
    {{105303, 1, 1}, {"", ""}}, {1411.0074, 13.822881, "Meta"} -> 
    {{302223, 1, 1}, {"", ""}}, {364.3083, 13.814071, "Meta"} -> 
    {{1, 25876, 24330}, {"", ""}}, {246.2344, 13.829058, "Meta"} -> 
    {{24282, 23819, 17323}, {"Dodecylbenzene [ C18 H30, db=83.32, \
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   {464.3502, 13.801808, "Meta"} -> {{72071, 292298, 167155}, 
     {"Trihydroxycoprostanoic acid [ C28 H48 O5, db=58.21, overall=29.10, HMP \
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    {{205028, 1, 1}, {"", ""}}, {1692.0865, 13.839601, "Meta"} -> 
    {{1, 43883, 40458}, {"", ""}}, {615.5204, 13.8424425, "Meta"} -> 
    {{64987, 24136, 34560}, {"", ""}}, {286.2509, 13.846881, "Meta"} -> 
    {{828917, 1, 1}, {"2-hydroxy-heptadecanoic acid [ C17 H34 O3, db=97.72, \
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    {{23221, 1, 1}, {"", ""}}, {696.2766, 13.87254, "Meta"} -> 
    {{66288, 89122, 1}, {"", ""}}, {332.1373, 13.873767, "Meta"} -> 
    {{51151, 142244, 70522}, {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 \
O3, db=37.37, overall=18.68, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {553.2424, 13.875352, "Meta"} -> {{184076, 163102, 128020}, {"", ""}}, 
   {940.4012, 13.875486, "Meta"} -> {{132053, 101335, 86246}, {"", ""}}, 
   {613.7682, 13.876518, "Meta"} -> {{109072, 113774, 64774}, 
     {"Diatrizoate [ C11 H9 I3 N2 O4, db=75.97, overall=37.98, KEGG \
ID=C08216, CAS ID=117-96-4 ]", "117-96-4"}}, {539.2269, 13.876515, "Meta"} -> 
    {{71463, 118084, 100978}, {"", ""}}, {1178.4764, 13.877108, "Meta"} -> 
    {{35000, 47386, 22723}, {"", ""}}, {1148.4653, 13.877125, "Meta"} -> 
    {{37180, 51310, 1}, {"", ""}}, {1210.502, 13.87775, "Meta"} -> 
    {{91521, 87753, 53673}, {"", ""}}, {1196.5201, 13.877587, "Meta"} -> 
    {{384814, 272845, 163153}, {"", ""}}, {1179.6492, 13.879959, "Meta"} -> 
    {{146062, 1, 1}, {"", ""}}, {1139.6177, 13.881881, "Meta"} -> 
    {{62372, 1, 1}, {"", ""}}, {763.4538, 13.893353, "Meta"} -> 
    {{56300, 32452, 36313}, {"", ""}}, {874.6232, 13.896, "Meta"} -> 
    {{199539, 42020, 211426}, {"", ""}}, {1026.6364, 13.899459, "Meta"} -> 
    {{55769, 1, 1}, {"", ""}}, {988.6857, 13.899965, "Meta"} -> 
    {{142766, 1, 1}, {"", ""}}, {1182.8066, 13.906625, "Meta"} -> 
    {{1, 217405, 1}, {"", ""}}, {1155.8073, 13.909867, "Meta"} -> 
    {{416115, 1, 695352}, {"", ""}}, {1133.7634, 13.909791, "Meta"} -> 
    {{236116, 1, 283875}, {"", ""}}, {1204.7888, 13.910968, "Meta"} -> 
    {{256749, 1, 403504}, {"", ""}}, {412.319, 13.933791, "Meta"} -> 
    {{924054, 1, 1}, {"", ""}}, {429.3453, 13.92668, "Meta"} -> 
    {{340759, 1, 36300}, {"", ""}}, {457.2311, 13.933417, "Meta"} -> 
    {{63951, 1, 1}, {"", ""}}, {625.5645, 13.932321, "Meta"} -> 
    {{289900, 1, 1}, {"1,3-di-(9Z-octadecenoyl)-2-hydroxy-sn-glycerol-d5 [ \
C39 H67 D5 O5, db=39.56, overall=19.78, KEGG ID=, CAS ID= ]", ""}}, 
   {392.1986, 13.933346, "Meta"} -> {{21053, 43301, 186998}, 
     {"Betamethasone [ C22 H29 F O5, db=56.48, overall=28.24, KEGG ID=C06848, \
CAS ID=378-44-9 ]", "378-44-9"}}, {310.2505, 13.931774, "Meta"} -> 
    {{302797, 112814, 1}, {"", ""}}, {905.6038, 13.9305, "Meta"} -> 
    {{117353, 1, 1}, {"", ""}}, {326.2818, 13.934208, "Meta"} -> 
    {{205004, 1, 1}, {"14R-hydroxy-11Z-eicosenoic acid [ C20 H38 O3, \
db=84.04, overall=42.02, Lipid ID=, KEGG ID= ]", ""}}, 
   {1512.9745, 13.943259, "Meta"} -> {{48447, 1, 164467}, {"", ""}}, 
   {404.3248, 13.940714, "Meta"} -> {{196566, 1, 28938}, {"", ""}}, 
   {361.3192, 13.941904, "Meta"} -> {{965105, 60300, 89126}, {"", ""}}, 
   {638.4799, 13.954207, "Meta"} -> {{82471, 1, 1}, {"", ""}}, 
   {894.7203, 13.9559555, "Meta"} -> {{65508, 1, 1}, {"", ""}}, 
   {649.4322, 13.963917, "Meta"} -> {{581069, 1, 1}, {"", ""}}, 
   {817.5507, 13.970483, "Meta"} -> {{236306, 1, 1}, {"", ""}}, 
   {696.3306, 13.97226, "Meta"} -> {{27399, 1, 1}, {"", ""}}, 
   {368.3293, 13.973274, "Meta"} -> {{60502, 54312, 54173}, 
     {"2-oxo-tricosanoic acid [ C23 H44 O3, db=83.10, overall=41.55, Lipid \
ID=, KEGG ID= ]", ""}}, {668.3243, 13.987971, "Meta"} -> 
    {{75623, 35107, 11453}, {"", ""}}, {327.3138, 14.019958, "Meta"} -> 
    {{98099, 1, 1}, {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, db=80.02, \
overall=40.01, KEGG ID=, CAS ID= ]", ""}}, {432.3443, 14.042667, "Meta"} -> 
    {{4712410, 1, 412231}, {"", ""}}, {1130.752, 14.0565195, "Meta"} -> 
    {{240970, 249097, 1}, {"", ""}}, {1081.7697, 14.056306, "Meta"} -> 
    {{238616, 1, 1}, {"", ""}}, {1301.9012, 14.060631, "Meta"} -> 
    {{680656, 707864, 632823}, {"", ""}}, {1345.9271, 14.061594, "Meta"} -> 
    {{589637, 680525, 156119}, {"", ""}}, {547.3318, 14.088111, "Meta"} -> 
    {{39970, 1, 1}, {"", ""}}, {1416.8945, 14.065963, "Meta"} -> 
    {{211395, 1, 229940}, {"", ""}}, {1478.0059, 14.069033, "Meta"} -> 
    {{458094, 1, 1}, {"", ""}}, {1539.0583, 14.065129, "Meta"} -> 
    {{239148, 287472, 190974}, {"", ""}}, {388.3188, 14.077641, "Meta"} -> 
    {{1038083, 1, 1}, {"", ""}}, {1671.1366, 14.077626, "Meta"} -> 
    {{104805, 1, 133188}, {"", ""}}, {1759.1885, 14.088881, "Meta"} -> 
    {{94165, 1, 1}, {"", ""}}, {362.2226, 14.091807, "Meta"} -> 
    {{28986, 1, 1}, {"", ""}}, {406.2871, 14.089751, "Meta"} -> 
    {{372793, 1, 43149}, {"", ""}}, {442.3058, 14.054035, "Meta"} -> 
    {{137312, 336801, 1}, {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-\
24a-homo-20-epivitamin D3 / (22S)-1alpha,22,25-trih [ C28 H42 O4, db=67.56, \
overall=33.78, Lipid ID=LMST03020315, KEGG ID= ]", ""}}, 
   {314.2219, 14.110887, "Meta"} -> {{1, 629013, 534086}, 
     {"Progesterone [ C21 H30 O2, db=66.34, overall=33.17, KEGG ID=, CAS \
ID=57-83-0 ]", "57-83-0"}}, {415.3467, 14.121041, "Meta"} -> 
    {{428274, 64408, 152626}, {"tomatidine [ C27 H45 N O2, db=66.95, \
overall=33.47, Lipid ID=LMST01150003, KEGG ID= ]", ""}}, 
   {852.6271, 14.121083, "Meta"} -> {{63784, 1, 31686}, {"", ""}}, 
   {1107.9249, 14.142357, "Meta"} -> {{113311, 1, 17214}, {"", ""}}, 
   {889.6583, 14.144666, "Meta"} -> {{216445, 1, 1}, {"", ""}}, 
   {784.6361, 14.144617, "Meta"} -> {{298667, 11634, 18782}, {"", ""}}, 
   {706.5926, 14.145374, "Meta"} -> {{436277, 1, 1}, {"", ""}}, 
   {1120.8586, 14.145665, "Meta"} -> {{61967, 1, 1}, {"", ""}}, 
   {535.496, 14.138332, "Meta"} -> {{31062, 1, 1}, {"", ""}}, 
   {798.6034, 14.14996, "Meta"} -> {{61281, 1, 1}, {"GPCho(18:0/19:3(9Z,12Z,1\
5Z)[U]) [ C45 H85 N O8 P, db=67.76, overall=33.88, Lipid ID=LMGP01010778, \
KEGG ID= ]", ""}}, {248.2501, 14.149543, "Meta"} -> 
    {{61340, 1, 1}, {"", ""}}, {467.2466, 14.092066, "Meta"} -> 
    {{45537, 15960, 12163}, {"Penbutolol glucuronide [ C24 H37 N O8, \
db=37.20, overall=18.60, KEGG ID=, CAS ID=86073-06-5 ]", "86073-06-5"}}, 
   {1096.8943, 14.150332, "Meta"} -> {{129403, 1, 1}, {"", ""}}, 
   {1130.8466, 14.151208, "Meta"} -> {{152064, 1, 1}, {"", ""}}, 
   {471.2462, 14.144727, "Meta"} -> {{327851, 44565, 1}, {"", ""}}, 
   {511.4599, 14.152822, "Meta"} -> {{471603, 1, 1}, {"", ""}}, 
   {474.2492, 14.152304, "Meta"} -> {{292882, 46299, 1}, {"", ""}}, 
   {431.361, 14.173369, "Meta"} -> {{215250, 1, 38400}, {"", ""}}, 
   {1541.0024, 14.186885, "Meta"} -> {{30607, 1, 1}, {"", ""}}, 
   {537.4757, 14.195916, "Meta"} -> {{430077, 1, 1}, {"", ""}}, 
   {1949.3077, 14.181482, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1910.2386, 14.20512, "Meta"} -> {{1, 57452, 1}, {"", ""}}, 
   {661.5622, 14.189167, "Meta"} -> {{113927, 1, 187882}, {"", ""}}, 
   {342.3608, 14.2178755, "Meta"} -> {{43098, 1, 1}, {"", ""}}, 
   {381.2554, 14.218654, "Meta"} -> {{34597, 1, 25556}, {"", ""}}, 
   {592.5907, 14.224184, "Meta"} -> {{49989, 1, 1}, {"", ""}}, 
   {354.3608, 14.2303095, "Meta"} -> {{14800, 1, 1}, {"", ""}}, 
   {919.6819, 14.234096, "Meta"} -> {{24386, 1, 1}, {"", ""}}, 
   {551.3956, 14.253501, "Meta"} -> {{1193881, 1, 1}, {"", ""}}, 
   {342.255, 14.27097, "Meta"} -> {{9726522, 4908555, 5140074}, {"", ""}}, 
   {1114.7946, 14.253259, "Meta"} -> {{106237, 120855, 82718}, {"", ""}}, 
   {174.14, 14.273462, "Meta"} -> {{28036, 1, 1}, {"", ""}}, 
   {540.4366, 14.265166, "Meta"} -> {{106795, 1, 111975}, {"", ""}}, 
   {537.5111, 14.26788, "Meta"} -> {{118341, 1, 1}, 
     {"N-Palmitoylsphingosine [ C34 H67 N O3, db=97.22, overall=48.61, HMP \
ID=HMDB00790, KEGG ID= ]", ""}}, {120.0925, 14.28412, "Meta"} -> 
    {{1, 35256, 1}, {"", ""}}, {493.3546, 14.284119, "Meta"} -> 
    {{172282, 1, 1}, {"", ""}}, {462.2603, 14.291335, "Meta"} -> 
    {{165057, 1, 1}, {"Retinyl glucuronide [ C26 H38 O7, db=72.43, \
overall=36.21, KEGG ID=, CAS ID=16639-19-3 ]", "16639-19-3"}}, 
   {294.165, 14.293693, "Meta"} -> {{267623, 1, 1}, {"", ""}}, 
   {1929.2153, 14.301193, "Meta"} -> {{74612, 38874, 1}, {"", ""}}, 
   {1919.2993, 14.301039, "Meta"} -> {{1, 39786, 54147}, {"", ""}}, 
   {678.0978, 14.303559, "Meta"} -> {{1, 17053, 1}, {"", ""}}, 
   {660.1179, 14.307345, "Meta"} -> {{20754, 1, 27754}, {"", ""}}, 
   {616.0923, 14.309033, "Meta"} -> {{28706, 35189, 36597}, {"", ""}}, 
   {1968.2823, 14.29344, "Meta"} -> {{41768, 50621, 1}, {"", ""}}, 
   {557.4655, 14.3256235, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {210.1611, 14.326935, "Meta"} -> {{23775, 14273, 21020}, 
     {"3E,5E-tridecadienoic acid [ C13 H22 O2, db=51.36, overall=25.68, Lipid \
ID=, KEGG ID= ]", ""}}, {280.2406, 14.322849, "Meta"} -> 
    {{190218, 133886, 128390}, {"13E,17-octadecadienoic acid [ C18 H32 O2, \
db=82.66, overall=41.33, Lipid ID=, KEGG ID= ]", ""}}, 
   {1302.9338, 14.329708, "Meta"} -> {{160009, 162960, 188473}, {"", ""}}, 
   {1224.7938, 14.333634, "Meta"} -> {{64686, 68388, 47705}, {"", ""}}, 
   {1158.784, 14.347498, "Meta"} -> {{41508, 48216, 28961}, {"", ""}}, 
   {412.258, 14.357724, "Meta"} -> {{8669339, 1.03*^7, 1.01*^7}, {"", ""}}, 
   {224.1775, 14.381326, "Meta"} -> {{1070179, 116802, 907993}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=80.34, overall=40.17, \
Lipid ID=, KEGG ID= ]", ""}}, {540.3789, 14.368897, "Meta"} -> 
    {{944005, 1, 395048}, {"", ""}}, {266.2606, 14.390668, "Meta"} -> 
    {{77679, 1, 36206}, {"3E,13Z-octadecadien-1-ol [ C18 H34 O, db=80.14, \
overall=40.07, Lipid ID=, KEGG ID= ]", ""}}, 
   {1987.2571, 14.389832, "Meta"} -> {{49212, 1, 1}, {"", ""}}, 
   {644.4889, 14.399479, "Meta"} -> {{188198, 1, 1}, {"", ""}}, 
   {782.5681, 14.399292, "Meta"} -> {{837713, 1, 1}, 
     {"GPCho(18:1(9Z)/18:3(9Z,12Z,15Z)[U]) [ C44 H81 N O8 P, db=94.15, \
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   {1982.2996, 14.399588, "Meta"} -> {{73743, 64893, 1}, {"", ""}}, 
   {1977.3427, 14.395542, "Meta"} -> {{1, 45475, 1}, {"", ""}}, 
   {415.3658, 14.408801, "Meta"} -> {{130176, 32532, 35557}, {"", ""}}, 
   {1894.2448, 14.404812, "Meta"} -> {{107924, 126488, 114941}, {"", ""}}, 
   {539.2676, 14.406583, "Meta"} -> {{33727, 1, 1}, {"", ""}}, 
   {258.1832, 14.399001, "Meta"} -> {{55653, 1, 1}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=63.45, overall=31.73, \
Lipid ID=, KEGG ID= ]", ""}}, {1674.1147, 14.420113, "Meta"} -> 
    {{203071, 197989, 1}, {"", ""}}, {1669.1595, 14.419, "Meta"} -> 
    {{148551, 136433, 1}, {"", ""}}, {607.7394, 14.417484, "Meta"} -> 
    {{1, 29908, 26958}, {"", ""}}, {690.5302, 14.423751, "Meta"} -> 
    {{111914, 1, 1}, {"", ""}}, {410.3766, 14.434156, "Meta"} -> 
    {{91027, 72516, 43805}, {"", ""}}, {1458.941, 14.442542, "Meta"} -> 
    {{1, 65092, 46768}, {"", ""}}, {1360.9753, 14.447921, "Meta"} -> 
    {{1, 1, 91713}, {"", ""}}, {415.4019, 14.450322, "Meta"} -> 
    {{26686, 10432, 15824}, {"", ""}}, {1326.8624, 14.456611, "Meta"} -> 
    {{60006, 42277, 22277}, {"", ""}}, {433.3763, 14.454422, "Meta"} -> 
    {{170646, 1, 1}, {"(+/-)N-(2-fluro-ethyl)-2,16,16-trimethyl-5Z,8Z,11Z,14Z\
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KEGG ID= ]", ""}}, {450.3702, 14.42675, "Meta"} -> 
    {{617815, 1, 1}, {"3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-one [ \
C28 H50 O4, db=86.51, overall=43.25, Lipid ID=, KEGG ID= ]", ""}}, 
   {998.7598, 14.480124, "Meta"} -> {{17872, 1, 1}, {"", ""}}, 
   {568.4706, 14.499832, "Meta"} -> {{222611, 910671, 776209}, {"", ""}}, 
   {640.1112, 14.502998, "Meta"} -> {{19068, 1, 32415}, {"", ""}}, 
   {537.4164, 14.511375, "Meta"} -> {{768805, 1, 1}, {"", ""}}, 
   {1859.2772, 14.508418, "Meta"} -> {{1, 1, 93181}, {"", ""}}, 
   {820.8858, 14.511085, "Meta"} -> {{1, 27513, 39405}, 
     {"Iohexol [ C19 H26 I3 N3 O9, db=28.84, overall=14.42, KEGG ID=, CAS \
ID=66108-95-0 ]", "66108-95-0"}}, {403.3657, 14.511079, "Meta"} -> 
    {{194316, 1, 1}, {"", ""}}, {484.3078, 14.513251, "Meta"} -> 
    {{53827, 1, 1}, {"", ""}}, {556.449, 14.513818, "Meta"} -> 
    {{204905, 214866, 177210}, {"", ""}}, {1727.2, 14.51852, "Meta"} -> 
    {{87530, 1, 94860}, {"", ""}}, {371.3507, 14.486881, "Meta"} -> 
    {{33851, 18633, 19153}, {"", ""}}, {1428.9324, 14.556345, "Meta"} -> 
    {{36309, 26546, 1}, {"", ""}}, {246.2343, 14.558037, "Meta"} -> 
    {{22366, 1, 1}, {"Dodecylbenzene [ C18 H30, db=85.43, overall=42.71, HMP \
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    {{56209, 1, 1}, {"", ""}}, {353.239, 14.559209, "Meta"} -> 
    {{75553, 1, 1}, {"", ""}}, {320.307, 14.586639, "Meta"} -> 
    {{17479, 1, 1}, {"", ""}}, {674.1341, 14.583749, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1922.2782, 14.597296, "Meta"} -> 
    {{68868, 55104, 51176}, {"", ""}}, {648.6536, 14.599898, "Meta"} -> 
    {{161078, 1, 1}, {"", ""}}, {721.5625, 14.639969, "Meta"} -> 
    {{158671, 65526, 144060}, {"", ""}}, {796.2077, 14.596042, "Meta"} -> 
    {{1, 20216, 41703}, {"", ""}}, {356.3766, 14.611617, "Meta"} -> 
    {{122535, 18314, 1}, {"", ""}}, {729.6274, 14.614373, "Meta"} -> 
    {{977885, 1, 1}, {"", ""}}, {616.4684, 14.621041, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {292.1672, 14.630277, "Meta"} -> 
    {{143162, 1, 64335}, {"", ""}}, {783.0571, 14.639333, "Meta"} -> 
    {{1, 1, 35620}, {"", ""}}, {516.2764, 14.643195, "Meta"} -> 
    {{55265, 1, 27732}, {"", ""}}, {126.1405, 14.642334, "Meta"} -> 
    {{86885, 1, 1}, {"", ""}}, {449.3507, 14.649598, "Meta"} -> 
    {{210698, 1, 1}, {"", ""}}, {714.5294, 14.645124, "Meta"} -> 
    {{106209, 225279, 245978}, {"1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-(4\
Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol [ C47 H70 O5, db=26.90, \
overall=13.45, KEGG ID=, CAS ID= ]", ""}}, {148.0158, 14.662999, "Meta"} -> 
    {{176773, 1, 102117}, {"", ""}}, {1975.3611, 14.680179, "Meta"} -> 
    {{1, 27112, 24517}, {"", ""}}, {1304.9498, 14.676501, "Meta"} -> 
    {{230614, 1, 1}, {"", ""}}, {1288.9882, 14.677895, "Meta"} -> 
    {{464303, 1, 1}, {"", ""}}, {314.2456, 14.663063, "Meta"} -> 
    {{145526, 472421, 459067}, {"Octadecanedioic acid [ C18 H34 O4, db=84.30, \
overall=42.15, HMP ID=HMDB00782, KEGG ID= ]", ""}}, 
   {1887.3066, 14.691118, "Meta"} -> {{1, 29039, 1}, {"", ""}}, 
   {718.5628, 14.687387, "Meta"} -> {{459012, 25411, 41115}, {"", ""}}, 
   {623.4396, 14.6919565, "Meta"} -> {{62351, 1, 1}, {"", ""}}, 
   {645.6059, 14.685749, "Meta"} -> {{64871, 1, 1}, {"", ""}}, 
   {628.3971, 14.698038, "Meta"} -> {{73632, 1, 1}, {"", ""}}, 
   {1843.2805, 14.697259, "Meta"} -> {{1, 48779, 33662}, {"", ""}}, 
   {648.5186, 14.694042, "Meta"} -> {{187136, 1, 1}, {"", ""}}, 
   {408.3972, 14.705543, "Meta"} -> {{35935, 1, 1}, 
     {"2,4-dimethyl-2-pentacosenoic acid [ C27 H52 O2, db=74.43, \
overall=37.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {1226.7506, 14.711852, "Meta"} -> {{197575, 1, 1}, 
     {"Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=97.82, \
overall=48.91, HMP ID=HMDB04902, KEGG ID= ]", ""}}, 
   {645.4183, 14.717676, "Meta"} -> {{234245, 189786, 183551}, {"", ""}}, 
   {698.468, 14.730161, "Meta"} -> {{91081, 38235, 1}, {"", ""}}, 
   {758.5008, 14.730802, "Meta"} -> {{97274, 1, 1}, {"", ""}}, 
   {337.2991, 14.743073, "Meta"} -> {{1, 38074, 1}, {"", ""}}, 
   {567.4826, 14.741691, "Meta"} -> {{78089, 98987, 72788}, {"", ""}}, 
   {335.2823, 14.734916, "Meta"} -> {{180356, 126256, 1}, {"", ""}}, 
   {224.1774, 14.743076, "Meta"} -> {{72478, 36025, 1}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=58.15, overall=29.08, \
Lipid ID=, KEGG ID= ]", ""}}, {311.2823, 14.741, "Meta"} -> 
    {{209123, 233871, 1}, {"", ""}}, {410.3415, 14.759458, "Meta"} -> 
    {{377406, 264197, 1}, {"", ""}}, {578.4528, 14.761768, "Meta"} -> 
    {{112084, 1, 1}, {"", ""}}, {821.8807, 14.768291, "Meta"} -> 
    {{48750, 18000, 1}, {"", ""}}, {454.306, 14.7669325, "Meta"} -> 
    {{266979, 73032, 146020}, {"26,26,26-trifluoro-25-hydroxyvitamin D3 / \
26,26,26-trifluoro-25-hydroxycholecalciferol [ C27 H41 F3 O2, db=96.49, \
overall=48.25, Lipid ID=LMST03020131, KEGG ID= ]", ""}}, 
   {754.4952, 14.762309, "Meta"} -> {{39478, 1, 1}, {"", ""}}, 
   {544.4848, 14.776436, "Meta"} -> {{59404, 1, 62947}, {"", ""}}, 
   {1023.6713, 14.774457, "Meta"} -> {{126386, 1, 1}, 
     {"Trihexosylceramide (d18:1/16:0) [ C52 H97 N O18, db=90.02, \
overall=45.01, HMP ID=HMDB04879, KEGG ID= ]", ""}}, 
   {278.1698, 14.775679, "Meta"} -> {{136672, 19513, 1}, {"", ""}}, 
   {647.6214, 14.772876, "Meta"} -> {{72342, 1, 1}, 
     {"Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, db=98.12, overall=49.06, \
HMP ID=HMDB04953, KEGG ID= ]", ""}}, {434.3759, 14.783721, "Meta"} -> 
    {{213153, 1, 1}, {"6-deoxoteasterone [ C28 H50 O3, db=63.15, \
overall=31.57, Lipid ID=LMST01030120, KEGG ID= ]", ""}}, 
   {724.4845, 14.780425, "Meta"} -> {{43447, 25141, 1}, {"", ""}}, 
   {406.3782, 14.821377, "Meta"} -> {{38407, 1, 13093}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=55.72, \
overall=27.86, Lipid ID=, KEGG ID= ]", ""}}, {704.5472, 14.802679, "Meta"} -> 
    {{70687, 1, 1}, {"", ""}}, {1249.0677, 14.813335, "Meta"} -> 
    {{35425, 12208, 34382}, {"", ""}}, {843.4971, 14.847156, "Meta"} -> 
    {{131773, 1, 26249}, {"", ""}}, {2045.5883, 14.842042, "Meta"} -> 
    {{149649, 1, 1}, {"", ""}}, {2720.1182, 14.840377, "Meta"} -> 
    {{184854, 1, 1}, {"", ""}}, {2061.5564, 14.8452215, "Meta"} -> 
    {{365170, 1, 1}, {"", ""}}, {1239.9836, 14.848166, "Meta"} -> 
    {{70657, 1, 1}, {"", ""}}, {1387.0208, 14.848454, "Meta"} -> 
    {{827697, 33979, 98297}, {"", ""}}, {565.4473, 14.858251, "Meta"} -> 
    {{444145, 21744, 1}, {"", ""}}, {1226.951, 14.852665, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1419.0518, 14.88988, "Meta"} -> 
    {{34423, 1, 1}, {"", ""}}, {455.3974, 14.8894205, "Meta"} -> 
    {{28214, 371635, 1}, {"", ""}}, {483.4287, 14.892069, "Meta"} -> 
    {{1, 681138, 1}, {"", ""}}, {1375.0894, 14.895823, "Meta"} -> 
    {{1717207, 1, 1}, {"", ""}}, {469.413, 14.892142, "Meta"} -> 
    {{138154, 2276996, 43215}, {"", ""}}, {280.2035, 14.893897, "Meta"} -> 
    {{1, 526139, 1}, 
     {"12S-HHTrE [ C17 H28 O3, db=88.18, overall=44.09, KEGG ID=, CAS ID= ]", 
      ""}}, {2113.588, 14.897228, "Meta"} -> {{191183, 1, 1}, {"", ""}}, 
   {1292.0153, 14.903293, "Meta"} -> {{210182, 1, 1}, {"", ""}}, 
   {2139.604, 14.913654, "Meta"} -> {{608095, 1, 39638}, {"", ""}}, 
   {1521.0576, 14.912457, "Meta"} -> {{46911, 1, 1}, {"", ""}}, 
   {738.4997, 14.919686, "Meta"} -> {{1719785, 28656, 555167}, {"", ""}}, 
   {1885.4286, 14.923374, "Meta"} -> {{24922, 1, 1}, {"", ""}}, 
   {892.7136, 14.926122, "Meta"} -> {{107269, 388979, 21403}, {"", ""}}, 
   {406.3781, 14.850402, "Meta"} -> {{64963, 1, 1}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=63.39, \
overall=31.69, Lipid ID=, KEGG ID= ]", ""}}, {607.4578, 14.934502, "Meta"} -> 
    {{216651, 1, 1}, {"", ""}}, {1389.1053, 14.947632, "Meta"} -> 
    {{1395682, 1, 1}, {"", ""}}, {1363.0868, 14.951377, "Meta"} -> 
    {{156800, 1, 1}, {"", ""}}, {1415.0522, 14.961962, "Meta"} -> 
    {{253408, 1, 36695}, {"", ""}}, {857.512, 14.964919, "Meta"} -> 
    {{96837, 1, 1}, {"", ""}}, {1142.867, 14.976418, "Meta"} -> 
    {{35490, 1, 1}, {"", ""}}, {1266.9861, 14.97788, "Meta"} -> 
    {{405233, 1, 1}, {"", ""}}, {1154.8688, 14.982498, "Meta"} -> 
    {{118493, 1, 1}, {"", ""}}, {390.277, 15.002232, "Meta"} -> 
    {{292687, 1, 1}, {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 \
H38 O4, db=85.91, overall=42.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {752.5832, 15.019201, "Meta"} -> {{106887, 1, 1}, {"", ""}}, 
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     {"Ceramide (d18:1/22:0) [ C40 H79 N O3, db=87.19, overall=43.60, HMP \
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   {564.3964, 15.855876, "Meta"} -> {{19915, 1, 1}, 
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   {2258.056, 0.37132356, "Meta"} -> {{54045, 51442, 48450}, {"", ""}}, 
   {2340.0415, 0.3715, "Meta"} -> {{73933, 73211, 69263}, {"", ""}}, 
   {1617.9949, 0.37353334, "Meta"} -> {{59989, 1, 52962}, {"", ""}}, 
   {842.0098, 0.37212902, "Meta"} -> {{1, 496967, 479760}, {"", ""}}, 
   {596.003, 0.3728823, "Meta"} -> {{1617118, 1617345, 1588995}, {"", ""}}, 
   {431.9965, 0.37666664, "Meta"} -> {{3104805, 3070997, 2991589}, {"", ""}}, 
   {1781.9979, 0.37309682, "Meta"} -> {{1, 43154, 45656}, {"", ""}}, 
   {514.0034, 0.37308568, "Meta"} -> {{3236413, 3211503, 3081480}, {"", ""}}, 
   {267.9908, 0.3730278, "Meta"} -> {{6168730, 5945274, 5715545}, {"", ""}}, 
   {2110.02, 0.37291667, "Meta"} -> {{28175, 1, 1}, {"", ""}}, 
   {1535.9908, 0.37340006, "Meta"} -> {{1, 52254, 45805}, {"", ""}}, 
   {1371.9957, 0.3735173, "Meta"} -> {{46635, 44203, 1}, {"", ""}}, 
   {1864.011, 0.3730323, "Meta"} -> {{37691, 35483, 38214}, {"", ""}}, 
   {1699.9985, 0.3731875, "Meta"} -> {{49323, 44486, 48363}, {"", ""}}, 
   {1946.0074, 0.37290323, "Meta"} -> {{35943, 32165, 37446}, {"", ""}}, 
   {2028.023, 0.37268, "Meta"} -> {{29247, 29174, 1}, {"", ""}}, 
   {365.97, 0.37485716, "Meta"} -> {{150498, 151263, 153306}, {"", ""}}, 
   {1453.9904, 0.3735, "Meta"} -> {{47805, 46390, 52560}, {"", ""}}, 
   {1207.9905, 0.37368754, "Meta"} -> {{23715, 26306, 1}, {"", ""}}, 
   {447.9728, 0.37527272, "Meta"} -> {{240782, 241817, 235378}, {"", ""}}, 
   {1289.9849, 0.37362495, "Meta"} -> {{41561, 36771, 37988}, {"", ""}}, 
   {529.9721, 0.37509674, "Meta"} -> {{250045, 238002, 235114}, {"", ""}}, 
   {283.9663, 0.37641668, "Meta"} -> {{336310, 329891, 326110}, {"", ""}}, 
   {693.9824, 0.3773871, "Meta"} -> {{1, 105118, 102849}, {"", ""}}, 
   {775.9853, 0.37764287, "Meta"} -> {{1, 70375, 65068}, {"", ""}}, 
   {611.9799, 0.37734482, "Meta"} -> {{1, 1, 142392}, {"", ""}}, 
   {857.9875, 0.3774839, "Meta"} -> {{51146, 1, 51565}, {"", ""}}, 
   {1413.9979, 0.38107693, "Meta"} -> {{1, 45190, 46078}, {"", ""}}, 
   {1331.9816, 0.38222224, "Meta"} -> {{1, 45970, 45632}, {"", ""}}, 
   {1495.995, 0.38175866, "Meta"} -> {{1, 46801, 41562}, {"", ""}}, 
   {1249.9858, 0.38258335, "Meta"} -> {{1, 1, 46580}, {"", ""}}, 
   {1167.9846, 0.38393104, "Meta"} -> {{28848, 1, 35877}, {"", ""}}, 
   {571.9606, 0.3881667, "Meta"} -> {{1, 1, 195162}, {"", ""}}, 
   {489.9575, 0.38891178, "Meta"} -> {{1, 285375, 290479}, {"", ""}}, 
   {407.9539, 0.38981822, "Meta"} -> {{353392, 339789, 343476}, {"", ""}}, 
   {325.9501, 0.3924723, "Meta"} -> {{255658, 243096, 245897}, {"", ""}}, 
   {465.9127, 0.39305556, "Meta"} -> {{218956, 185811, 206208}, {"", ""}}, 
   {259.9214, 0.39474198, "Meta"} -> {{146296, 142568, 143552}, {"", ""}}, 
   {605.8735, 0.39525005, "Meta"} -> {{91707, 41467, 107096}, {"", ""}}, 
   {243.9473, 0.3973611, "Meta"} -> {{1268434, 1262322, 1274258}, {"", ""}}, 
   {383.9092, 0.39772224, "Meta"} -> {{229773, 226526, 230471}, {"", ""}}, 
   {523.872, 0.3975429, "Meta"} -> {{150791, 152447, 143958}, {"", ""}}, 
   {581.8306, 0.40027776, "Meta"} -> {{137470, 121412, 133804}, {"", ""}}, 
   {639.7888, 0.40351427, "Meta"} -> {{116009, 107151, 107058}, {"", ""}}, 
   {441.8685, 0.4018334, "Meta"} -> {{225324, 217402, 216554}, {"", ""}}, 
   {697.7475, 0.40715998, "Meta"} -> {{92240, 85439, 98489}, {"", ""}}, 
   {499.8273, 0.40608332, "Meta"} -> {{178122, 174019, 170007}, {"", ""}}, 
   {615.7448, 0.40847063, "Meta"} -> {{135189, 138730, 130075}, {"", ""}}, 
   {301.9058, 0.40786114, "Meta"} -> {{256627, 246961, 245308}, {"", ""}}, 
   {673.7031, 0.41129026, "Meta"} -> {{95637, 95738, 87508}, {"", ""}}, 
   {359.8649, 0.41030556, "Meta"} -> {{198400, 184304, 184511}, {"", ""}}, 
   {417.8229, 0.4105714, "Meta"} -> {{215691, 204269, 205487}, {"", ""}}, 
   {755.7073, 0.41121435, "Meta"} -> {{1, 62887, 1}, {"", ""}}, 
   {475.7822, 0.41099995, "Meta"} -> {{1, 146100, 151466}, {"", ""}}, 
   {575.7568, 0.41006452, "Meta"} -> {{22716, 18256, 1}, {"", ""}}, 
   {219.9025, 0.4121111, "Meta"} -> {{458195, 455299, 463699}, {"", ""}}, 
   {651.6545, 0.41184002, "Meta"} -> {{56931, 56364, 56416}, 
     {"Cer(d18:0/24:0) [ C42 H85 N O3, db=58.22, overall=29.11, Lipid \
ID=LMSP02020012, KEGG ID= ]", ""}}, {593.6968, 0.41163632, "Meta"} -> 
    {{67734, 85756, 84959}, {"", ""}}, {277.8617, 0.41355553, "Meta"} -> 
    {{261501, 1, 218102}, {"", ""}}, {161.944, 0.4130858, "Meta"} -> 
    {{233767, 238419, 242538}, {"", ""}}, {607.0989, 0.41675, "Meta"} -> 
    {{34448, 31687, 30742}, {"", ""}}, {525.0954, 0.41841662, "Meta"} -> 
    {{77126, 68418, 66232}, {"Sertraline Carbamic acid glucuronide [ C24 H25 \
Cl2 N O8, db=66.50, overall=33.25, KEGG ID=, CAS ID=119733-44-7 ]", 
      "119733-44-7"}}, {377.0618, 0.41700003, "Meta"} -> 
    {{30478, 24852, 25932}, {"", ""}}, {295.0595, 0.42075, "Meta"} -> 
    {{247565, 208753, 217397}, {"5-Aminoimidazole ribonucleotide [ C8 H14 N3 \
O7 P, db=61.18, overall=30.59, HMP ID=HMDB01235, KEGG ID= ]", ""}}, 
   {361.0891, 0.4204722, "Meta"} -> {{468579, 414414, 426980}, 
     {"His Cys Cys [ C12 H19 N5 O4 S2, db=74.60, overall=37.30 ]", ""}}, 
   {443.0923, 0.42244443, "Meta"} -> {{96429, 85097, 95122}, {"", ""}}, 
   {536.1894, 0.42578793, "Meta"} -> {{131134, 93555, 92126}, {"", ""}}, 
   {342.008, 0.44034287, "Meta"} -> {{59817, 65831, 56222}, {"", ""}}, 
   {279.085, 0.43405554, "Meta"} -> {{2453740, 2278674, 2081031}, {"", ""}}, 
   {284.0491, 0.4420606, "Meta"} -> {{73389, 66302, 70975}, {"", ""}}, 
   {103.0999, 0.44377777, "Meta"} -> {{356043, 313412, 300202}, {"", ""}}, 
   {481.9704, 0.44212005, "Meta"} -> {{8872, 1, 9424}, {"", ""}}, 
   {183.0875, 0.44372222, "Meta"} -> {{393507, 364545, 376489}, {"", ""}}, 
   {224.0281, 0.4447647, "Meta"} -> {{216562, 191729, 158461}, 
     {"Cys Cys [ C6 H12 N2 O3 S2, db=64.23, overall=32.11 ]", ""}}, 
   {457.0211, 0.45377782, "Meta"} -> {{15499, 14777, 1}, {"", ""}}, 
   {135.0411, 0.4499394, "Meta"} -> {{667245, 615555, 622631}, {"", ""}}, 
   {262.078, 0.45158333, "Meta"} -> {{341540, 338651, 335359}, 
     {"Asp Glu [ C9 H14 N2 O7, db=81.80, overall=40.90 ]", ""}}, 
   {202.0446, 0.45386112, "Meta"} -> {{8156283, 7945720, 8177525}, {"", ""}}, 
   {159.0275, 0.45163885, "Meta"} -> {{70331, 70557, 68156}, {"", ""}}, 
   {220.1785, 0.4556666, "Meta"} -> {{128613, 107984, 113965}, {"", ""}}, 
   {404.092, 0.45348275, "Meta"} -> {{45373, 53767, 1}, {"", ""}}, 
   {315.1044, 0.4536389, "Meta"} -> {{251726, 262409, 261295}, {"", ""}}, 
   {320.036, 0.4549231, "Meta"} -> {{24821, 26025, 1}, {"", ""}}, 
   {382.1086, 0.45669445, "Meta"} -> {{3376402, 3264117, 3285594}, {"", ""}}, 
   {396.1638, 0.4501666, "Meta"} -> {{23195, 22545, 19385}, 
     {"Asn Tyr Thr [ C17 H24 N4 O7, db=83.05, overall=41.53 ]", ""}}, 
   {113.059, 0.45647225, "Meta"} -> {{432433, 418648, 511085}, 
     {"Creatinine [ C4 H7 N3 O, db=69.36, overall=34.68, KEGG ID=C00791, CAS \
ID=60-27-5 ]", "60-27-5"}}, {339.0908, 0.4577187, "Meta"} -> 
    {{1, 22072, 19976}, 
     {"Cys Ser Met [ C11 H21 N3 O5 S2, db=57.09, overall=28.54 ]", ""}}, 
   {337.0433, 0.45780003, "Meta"} -> {{350704, 273643, 262623}, 
     {"Famotidine [ C8 H15 N7 O2 S3, db=57.43, overall=28.71, KEGG ID=C06994, \
CAS ID=76824-35-6 ]", "76824-35-6"}}, {114.0292, 0.45835483, "Meta"} -> 
    {{134839, 115449, 1}, {"", ""}}, {174.1111, 0.46506065, "Meta"} -> 
    {{75005, 77463, 63974}, {"Arginine [ C6 H14 N4 O2, db=51.57, \
overall=25.79, KEGG ID=C00062, CAS ID=74-79-3 ]", "74-79-3"}}, 
   {131.0692, 0.46048486, "Meta"} -> {{439916, 318157, 407176}, 
     {"Creatine [ C4 H9 N3 O2, db=99.16, overall=49.58, KEGG ID=C00300, CAS \
ID=6020-87-7 ]", "6020-87-7"}}, {317.9624, 0.46102777, "Meta"} -> 
    {{236819, 217445, 201925}, {"", ""}}, {260.0039, 0.4610556, "Meta"} -> 
    {{619141, 607220, 608907}, {"", ""}}, {139.0609, 0.45847225, "Meta"} -> 
    {{1017361, 1098224, 1161586}, {"", ""}}, 
   {375.9207, 0.46166673, "Meta"} -> {{149331, 159809, 159842}, {"", ""}}, 
   {498.0259, 0.46341926, "Meta"} -> {{44694, 43736, 1}, {"", ""}}, 
   {161.1053, 0.46408334, "Meta"} -> {{1696270, 1730372, 1873249}, {"", ""}}, 
   {366.1134, 0.4641667, "Meta"} -> {{70473, 66018, 66263}, {"", ""}}, 
   {440.0675, 0.46469444, "Meta"} -> {{173715, 181128, 176854}, {"", ""}}, 
   {175.0959, 0.4649032, "Meta"} -> {{36287, 35066, 1}, 
     {"Citrulline [ C6 H13 N3 O3, db=47.39, overall=23.69, KEGG ID=C00327, \
CAS ID=372-75-8 ]", "372-75-8"}}, {115.0636, 0.4639722, "Meta"} -> 
    {{1205703, 1183921, 1207373}, {"Proline [ C5 H9 N O2, db=87.30, \
overall=43.65, KEGG ID=C00148, CAS ID=147-85-3 ]", "147-85-3"}}, 
   {256.1436, 0.4642592, "Meta"} -> {{1, 165337, 1}, {"", ""}}, 
   {399.0646, 0.4658, "Meta"} -> {{36503, 40037, 41873}, {"", ""}}, 
   {192.1473, 0.46303123, "Meta"} -> {{66031, 63049, 61637}, {"", ""}}, 
   {341.1066, 0.46715382, "Meta"} -> {{1, 1, 1}, 
     {"Tyr Cys Gly [ C14 H19 N3 O5 S, db=77.47, overall=38.73 ]", ""}}, 
   {248.1483, 0.46862853, "Meta"} -> {{55880, 55091, 61199}, {"", ""}}, 
   {159.1256, 0.47108328, "Meta"} -> {{289118, 286929, 283139}, 
     {"DL-2-Aminooctanoic acid [ C8 H17 N O2, db=86.92, overall=43.46, HMP \
ID=HMDB00991, KEGG ID= ]", ""}}, {60.0325, 0.47265622, "Meta"} -> 
    {{387340, 363772, 349941}, {"Urea [ C H4 N2 O, db=87.80, overall=43.90, \
KEGG ID=C00086, CAS ID=57-13-6 ]", "57-13-6"}}, 
   {297.1425, 0.47046667, "Meta"} -> {{1, 1, 1}, 
     {"Ala His Ala [ C12 H19 N5 O4, db=91.10, overall=45.55 ]", ""}}, 
   {117.0784, 0.47286117, "Meta"} -> {{6026410, 5742740, 6039385}, 
     {"5-Aminopentanoic acid [ C5 H11 N O2, db=96.95, overall=48.48, HMP \
ID=HMDB03355, KEGG ID= ]", ""}}, {222.0852, 0.47502783, "Meta"} -> 
    {{79992, 75863, 72552}, {"", ""}}, {302.184, 0.47386664, "Meta"} -> 
    {{25787, 22470, 24233}, {"", ""}}, {240.0955, 0.47499996, "Meta"} -> 
    {{69919, 68374, 66594}, {"", ""}}, {143.0945, 0.4738333, "Meta"} -> 
    {{1735760, 1785832, 1552692}, {"Triparanol [ C7 H13 N O2, db=69.83, \
overall=34.92, HMP ID=HMDB01378, KEGG ID= ]", ""}}, 
   {228.1473, 0.47896966, "Meta"} -> {{309742, 318614, 335599}, 
     {"Leu Pro [ C11 H20 N2 O3, db=61.48, overall=30.74 ]", ""}}, 
   {257.1031, 0.48044443, "Meta"} -> {{1487068, 1237478, 1509983}, 
     {"5-Methylcytidine [ C10 H15 N3 O5, db=85.28, overall=42.64, HMP \
ID=HMDB00982, KEGG ID=, CAS ID=2140-61-6 ]", "2140-61-6"}}, 
   {71.074, 0.48255876, "Meta"} -> {{908415, 895577, 906368}, {"", ""}}, 
   {157.1101, 0.4915172, "Meta"} -> {{52300, 26267, 23871}, 
     {"Tranexamic acid [ C8 H15 N O2, db=82.75, overall=41.37, KEGG \
ID=C12535, CAS ID=1197-18-8 ]", "1197-18-8"}}, 
   {144.042, 0.48648572, "Meta"} -> {{117637, 108351, 125863}, 
     {"(E)-2-Methylglutaconic acid [ C6 H8 O4, db=81.83, overall=40.91, HMP \
ID=HMDB02266, KEGG ID= ]", ""}}, {240.1471, 0.48564285, "Meta"} -> 
    {{32341, 27971, 28995}, {"", ""}}, {162.0524, 0.48472, "Meta"} -> 
    {{178005, 161261, 163902}, {"2-Hydroxyadipic acid [ C6 H10 O5, db=74.88, \
overall=37.44, HMP ID=HMDB00321, KEGG ID= ]", ""}}, 
   {307.0891, 0.4947, "Meta"} -> {{1, 24665, 20687}, 
     {"Succinyllipoic acid [ C12 H21 N O4 S2, db=34.62, overall=17.31, HMP \
ID=HMDB01012, KEGG ID= ]", ""}}, {247.9688, 0.49561107, "Meta"} -> 
    {{199025, 122748, 172520}, {"", ""}}, {198.0384, 0.50133336, "Meta"} -> 
    {{1, 157479, 168866}, {"", ""}}, {168.0283, 0.50608325, "Meta"} -> 
    {{1841978, 1980026, 1983367}, {"Uric acid [ C5 H4 N4 O3, db=97.37, \
overall=48.69, KEGG ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, 
   {191.0248, 0.5051143, "Meta"} -> {{123829, 85240, 189890}, {"", ""}}, 
   {348.0916, 0.5082572, "Meta"} -> {{128262, 123549, 116510}, {"", ""}}, 
   {280.0422, 0.50655884, "Meta"} -> {{57802, 44723, 49830}, {"", ""}}, 
   {133.9952, 0.5028, "Meta"} -> {{286115, 280187, 273824}, {"", ""}}, 
   {129.0423, 0.50794446, "Meta"} -> {{470030, 370139, 535302}, 
     {"Pyroglutamic acid [ C5 H7 N O3, db=86.82, overall=43.41, KEGG \
ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, {309.1056, 0.5132, "Meta"} -> 
    {{43612, 39668, 40652}, {"N-Acetyl-a-neuraminic acid [ C11 H19 N O9, \
db=51.18, overall=25.59, HMP ID=HMDB00773, KEGG ID= ]", ""}}, 
   {548.0497, 0.5119356, "Meta"} -> {{46413, 40314, 39133}, {"", ""}}, 
   {112.0135, 0.51612, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {396.0151, 0.5267038, "Meta"} -> {{1, 27456, 88233}, {"", ""}}, 
   {393.0659, 0.53931427, "Meta"} -> {{95747, 87719, 64909}, 
     {"5-Hydroxythiabendazole glucuronide [ C16 H15 N3 O7 S, db=55.85, \
overall=27.93, KEGG ID=, CAS ID=6801-82-7 ]", "6801-82-7"}}, 
   {185.1047, 0.54106057, "Meta"} -> {{68900, 73509, 111630}, 
     {"Ecgonine [ C9 H15 N O3, db=82.32, overall=41.16, KEGG ID=, CAS \
ID=481-37-8 ]", "481-37-8"}}, {159.068, 0.54042304, "Meta"} -> 
    {{35255, 33665, 41673}, {"Indoleacetaldehyde [ C10 H9 N O, db=55.69, \
overall=27.85, HMP ID=HMDB01190, KEGG ID= ]", ""}}, 
   {132.0244, 0.54202855, "Meta"} -> {{118683, 120172, 124881}, {"", ""}}, 
   {149.0507, 0.54125, "Meta"} -> {{1157376, 1040856, 1171687}, 
     {"Methionine [ C5 H11 N O2 S, db=99.04, overall=49.52, KEGG ID=C00073, \
CAS ID=63-68-3 ]", "63-68-3"}}, {279.1315, 0.54772216, "Meta"} -> 
    {{125574, 125484, 116468}, {"", ""}}, {164.047, 0.5517223, "Meta"} -> 
    {{235934, 204973, 203277}, {"p-Coumaric acid [ C9 H8 O3, db=86.35, \
overall=43.17, KEGG ID=, CAS ID=7400-08-0 ]", "7400-08-0"}}, 
   {181.0737, 0.5518889, "Meta"} -> {{2565965, 2544097, 2604482}, 
     {"Tyrosine [ C9 H11 N O3, db=99.43, overall=49.71, KEGG ID=C00082, CAS \
ID=60-18-4 ]", "60-18-4"}}, {122.0354, 0.55100006, "Meta"} -> 
    {{253361, 303164, 309847}, {"", ""}}, {321.1047, 0.5580909, "Meta"} -> 
    {{27082, 106050, 79966}, {"", ""}}, {311.1578, 0.55884373, "Meta"} -> 
    {{369109, 338207, 355724}, 
     {"Gly Val His [ C13 H21 N5 O4, db=80.96, overall=40.48 ]", ""}}, 
   {131.0946, 0.5592222, "Meta"} -> {{2.51*^7, 2.55*^7, 2.54*^7}, 
     {"Leucine [ C6 H13 N O2, db=99.82, overall=49.91, KEGG ID=C00123, CAS \
ID=61-90-5 ]", "61-90-5"}}, {85.0889, 0.5585, "Meta"} -> 
    {{3226833, 3162211, 2889482}, {"", ""}}, 
   {175.0582, 0.55870366, "Meta"} -> {{1, 187241, 183349}, 
     {"Guanidinosuccinic Acid [ C5 H9 N3 O4, db=74.59, overall=37.29, KEGG \
ID=C03139, CAS ID=6133-30-8 ]", "6133-30-8"}}, 
   {230.0767, 0.58708334, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {124.0136, 0.573853, "Meta"} -> {{145075, 157910, 153876}, {"", ""}}, 
   {262.1892, 0.5915186, "Meta"} -> {{104656, 1, 121363}, {"", ""}}, 
   {315.1291, 0.6577931, "Meta"} -> {{28502, 31851, 1}, {"", ""}}, 
   {181.0738, 0.63259375, "Meta"} -> {{1185151, 1243133, 1118178}, 
     {"Tyrosine [ C9 H11 N O3, db=99.69, overall=49.85, KEGG ID=C00082, CAS \
ID=60-18-4 ]", "60-18-4"}}, {321.1046, 0.64432, "Meta"} -> 
    {{37786, 1, 56171}, {"", ""}}, {262.1526, 0.64625, "Meta"} -> 
    {{22929, 1, 1}, {"", ""}}, {85.0891, 0.65061104, "Meta"} -> 
    {{3339960, 3070751, 3240132}, {"", ""}}, 
   {131.0943, 0.65075004, "Meta"} -> {{2.71*^7, 2.45*^7, 2.43*^7}, 
     {"Leucine [ C6 H13 N O2, db=98.20, overall=49.10, KEGG ID=C00123, CAS \
ID=61-90-5 ]", "61-90-5"}}, {184.0232, 0.6469033, "Meta"} -> 
    {{502095, 724938, 547115}, {"", ""}}, {396.0152, 0.65655553, "Meta"} -> 
    {{52646, 55939, 50922}, {"", ""}}, {198.0385, 0.6591563, "Meta"} -> 
    {{72775, 82780, 78420}, {"", ""}}, {366.1426, 0.73793095, "Meta"} -> 
    {{1, 28345, 65244}, {"", ""}}, {564.0432, 0.6553846, "Meta"} -> 
    {{1, 18974, 20444}, {"", ""}}, {168.0284, 0.66358334, "Meta"} -> 
    {{4020633, 3130904, 3538305}, {"Uric acid [ C5 H4 N4 O3, db=99.35, \
overall=49.68, KEGG ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, 
   {352.0513, 0.6635001, "Meta"} -> {{109466, 120264, 119523}, {"", ""}}, 
   {191.0249, 0.6656572, "Meta"} -> {{331578, 291148, 494005}, {"", ""}}, 
   {176.0948, 0.66323525, "Meta"} -> {{45019, 44832, 64508}, 
     {"Serotonin [ C10 H12 N2 O, db=81.86, overall=40.93, KEGG ID=C00780, CAS \
ID=50-67-9 ]", "50-67-9"}}, {343.1261, 0.6673332, "Meta"} -> 
    {{32894, 29455, 29682}, {"b-D-Glucopyranosiduronic acid [ C15 H21 N O8, \
db=84.47, overall=42.23, KEGG ID=, CAS ID=33150-82-2 ]", "33150-82-2"}}, 
   {159.0679, 0.6692903, "Meta"} -> {{61633, 43630, 47261}, 
     {"Indoleacetaldehyde [ C10 H9 N O, db=58.61, overall=29.30, HMP \
ID=HMDB01190, KEGG ID= ]", ""}}, {542.0351, 0.6685769, "Meta"} -> 
    {{13088, 27289, 28920}, {"cefonicid [ C18 H18 N6 O8 S3, db=52.28, \
overall=26.14, KEGG ID=, CAS ID= ]", ""}}, {267.1331, 0.6696945, "Meta"} -> 
    {{104359, 94169, 113066}, {"", ""}}, {346.076, 0.6595, "Meta"} -> 
    {{28465, 34210, 31459}, {"", ""}}, {366.0667, 0.6683939, "Meta"} -> 
    {{32935, 31570, 30819}, {"", ""}}, {348.0913, 0.6686563, "Meta"} -> 
    {{63645, 63918, 65758}, {"", ""}}, {478.0537, 0.6733429, "Meta"} -> 
    {{16807, 26182, 14049}, {"", ""}}, {129.0423, 0.67652774, "Meta"} -> 
    {{534570, 516321, 571964}, {"Pyroglutamic acid [ C5 H7 N O3, db=60.99, \
overall=30.50, KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {297.0706, 0.67399997, "Meta"} -> {{30301, 20945, 30339}, {"", ""}}, 
   {414.0701, 0.68071425, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {104.0473, 0.7109601, "Meta"} -> {{44061, 82779, 86543}, 
     {"a-hydroxybutyrate [ C4 H8 O3, db=87.83, overall=43.92, KEGG ID=, CAS \
ID= ]", ""}}, {293.1474, 0.70211107, "Meta"} -> {{823907, 785801, 814030}, 
     {"", ""}}, {124.0136, 0.698871, "Meta"} -> {{161813, 154052, 158705}, 
     {"", ""}}, {244.0693, 0.69808567, "Meta"} -> {{129803, 126646, 126381}, 
     {"Uridine [ C9 H12 N2 O6, db=80.06, overall=40.03, KEGG ID=C00299, CAS \
ID=58-96-8 ]", "58-96-8"}}, {228.1472, 0.70621204, "Meta"} -> 
    {{335995, 307669, 342594}, 
     {"Leu Pro [ C11 H20 N2 O3, db=86.33, overall=43.17 ]", ""}}, 
   {246.1213, 0.72223526, "Meta"} -> {{58730, 58956, 56923}, 
     {"Ile Asp [ C10 H18 N2 O5, db=79.46, overall=39.73 ]", ""}}, 
   {126.0292, 0.7198077, "Meta"} -> {{1473973, 1426942, 1477087}, {"", ""}}, 
   {347.9839, 0.72131026, "Meta"} -> {{48162, 46844, 51767}, {"", ""}}, 
   {252.1109, 0.7333571, "Meta"} -> {{268586, 261856, 266551}, 
     {"Tyr Ala [ C12 H16 N2 O4, db=96.68, overall=48.34 ]", ""}}, 
   {338.0838, 0.75042427, "Meta"} -> {{129389, 136116, 154922}, {"", ""}}, 
   {148.0112, 0.75524235, "Meta"} -> {{155832, 151527, 146355}, {"", ""}}, 
   {136.0384, 0.7559166, "Meta"} -> {{3307058, 2592876, 3221862}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=95.18, overall=47.59, KEGG ID=C00262, \
CAS ID=68-94-0 ]", "68-94-0"}}, {277.0016, 0.76956004, "Meta"} -> 
    {{148118, 126371, 1}, {"", ""}}, {161.0507, 0.7749999, "Meta"} -> 
    {{1, 204441, 323513}, {"", ""}}, {301.1176, 0.832861, "Meta"} -> 
    {{70081, 71171, 70277}, {"", ""}}, {263.0468, 0.8569698, "Meta"} -> 
    {{1, 42213, 40742}, {"Normetanephrine sulfate [ C9 H13 N O6 S, db=62.13, \
overall=31.07, KEGG ID=, CAS ID=1215-29-8 ]", "1215-29-8"}}, 
   {427.2543, 0.88016677, "Meta"} -> {{156336, 120522, 155981}, {"", ""}}, 
   {533.1839, 0.8766785, "Meta"} -> {{28683, 36039, 48737}, {"", ""}}, 
   {208.0844, 0.8729697, "Meta"} -> {{916313, 807735, 833182}, 
     {"Kynurenine [ C10 H12 N2 O3, db=98.79, overall=49.40, KEGG ID=C00328, \
CAS ID=343-65-7 ]", "343-65-7"}}, {310.1159, 0.87493944, "Meta"} -> 
    {{30726, 34389, 29551}, 
     {"Tyr Glu [ C14 H18 N2 O6, db=80.16, overall=40.08 ]", ""}}, 
   {130.0417, 0.889875, "Meta"} -> {{347581, 336224, 367763}, {"", ""}}, 
   {119.0736, 0.8910293, "Meta"} -> {{8018284, 7794033, 7958513}, {"", ""}}, 
   {165.0784, 0.88927776, "Meta"} -> {{4.41*^7, 4.25*^7, 4.47*^7}, 
     {"2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, db=96.07, \
overall=48.03, KEGG ID=, CAS ID=18259-42-2 ]", "18259-42-2"}}, 
   {102.047, 0.8869601, "Meta"} -> {{71941, 68595, 40834}, {"", ""}}, 
   {268.0808, 0.88524127, "Meta"} -> {{49294, 85498, 97125}, 
     {"Inosine [ C10 H12 N4 O5, db=85.71, overall=42.86, KEGG ID=C00294, CAS \
ID=58-63-9 ]", "58-63-9"}}, {518.1942, 0.9226364, "Meta"} -> 
    {{25757, 27778, 25135}, {"Gossypol [ C30 H30 O8, db=74.85, overall=37.42, \
Lipid ID=LMPR01030019, KEGG ID=C07667 ]", ""}}, 
   {359.1316, 0.92291445, "Meta"} -> {{47316, 38855, 40845}, 
     {"Asp Glu Pro [ C14 H21 N3 O8, db=49.24, overall=24.62 ]", ""}}, 
   {358.1738, 0.921639, "Meta"} -> {{54625, 50981, 56266}, {"", ""}}, 
   {315.1679, 0.92541665, "Meta"} -> {{4282796, 3613689, 3656388}, {"", ""}}, 
   {246.1213, 0.9403793, "Meta"} -> {{49541, 49245, 43677}, 
     {"Ile Asp [ C10 H18 N2 O5, db=75.39, overall=37.69 ]", ""}}, 
   {348.1567, 0.99688005, "Meta"} -> {{167860, 1, 152258}, 
     {"Ala Arg Cys [ C12 H24 N6 O4 S, db=90.69, overall=45.35 ]", ""}}, 
   {150.0887, 1.0149167, "Meta"} -> {{8417016, 3.11*^7, 2.91*^7}, {"", ""}}, 
   {380.1186, 1.0151613, "Meta"} -> {{203959, 185605, 152940}, 
     {"Cys Gln Met [ C13 H24 N4 O5 S2, db=70.63, overall=35.32 ]", ""}}, 
   {88.0527, 1.0138214, "Meta"} -> {{906546, 911811, 1}, 
     {"Acetoin [ C4 H8 O2, db=98.92, overall=49.46, KEGG ID=C00810, CAS \
ID=513-86-0 ]", "513-86-0"}}, {132.0785, 1.0133704, "Meta"} -> 
    {{344250, 323613, 1}, {"2-Hydroxy-4-methylvaleric acid [ C6 H12 O3, \
db=96.66, overall=48.33, KEGG ID=, CAS ID=13748-90-8 ]", "13748-90-8"}}, 
   {248.0572, 1.018941, "Meta"} -> {{1010655, 993504, 918532}, 
     {"Pyridoxamine Phosphate [ C8 H13 N2 O5 P, db=92.97, overall=46.48, KEGG \
ID=C00647, CAS ID=529-96-4 ]", "529-96-4"}}, {264.0292, 1.0199355, "Meta"} -> 
    {{359711, 1, 239210}, {"(3-Methoxy-4-hydroxyphenyl)ethylene glycol \
sulfate [ C9 H12 O7 S, db=58.12, overall=29.06, KEGG ID=, CAS ID=3415-67-6 ]"\
, "3415-67-6"}}, {239.9853, 1.04124, "Meta"} -> {{1, 50019, 28557}, 
     {"", ""}}, {210.1212, 1.0249231, "Meta"} -> {{1, 290738, 262574}, 
     {"", ""}}, {338.1254, 1.0379394, "Meta"} -> {{508015, 495416, 439123}, 
     {"", ""}}, {353.0898, 1.0451715, "Meta"} -> {{199873, 175251, 196362}, 
     {"Acenocoumarol [ C19 H15 N O6, db=85.70, overall=42.85, KEGG ID=, CAS \
ID=152-72-7 ]", "152-72-7"}}, {327.1318, 1.0948066, "Meta"} -> 
    {{255394, 196836, 1}, {"", ""}}, {231.1472, 1.1548711, "Meta"} -> 
    {{63031, 38185, 71689}, {"Isobutyryl carnitine [ C11 H21 N O4, db=82.39, \
overall=41.19, KEGG ID=, CAS ID=25518-49-4 ]", "25518-49-4"}}, 
   {354.1791, 1.2549354, "Meta"} -> {{257195, 416657, 1}, {"", ""}}, 
   {291.0178, 1.2728126, "Meta"} -> {{49894, 35549, 47263}, {"", ""}}, 
   {276.0544, 1.2674193, "Meta"} -> {{47367, 44545, 52540}, {"", ""}}, 
   {216.0308, 1.2762144, "Meta"} -> {{86620, 70641, 70742}, {"", ""}}, 
   {117.0578, 1.2811853, "Meta"} -> {{219508, 227658, 222705}, 
     {"Indole [ C8 H7 N, db=70.72, overall=35.36, KEGG ID=C00463, CAS \
ID=120-72-9 ]", "120-72-9"}}, {204.0894, 1.2753054, "Meta"} -> 
    {{5.89*^7, 5.43*^7, 5.46*^7}, {"Tryptophan [ C11 H12 N2 O2, db=95.92, \
overall=47.96, KEGG ID=C00078, CAS ID=73-22-3 ]", "73-22-3"}}, 
   {187.0628, 1.2740554, "Meta"} -> {{1.42*^7, 1.34*^7, 1.36*^7}, 
     {"Indoleacrylic acid [ C11 H9 N O2, db=97.72, overall=48.86, HMP \
ID=HMDB00734, KEGG ID=, CAS ID=1204-06-4 ]", "1204-06-4"}}, 
   {650.2158, 1.2843436, "Meta"} -> {{57615, 36340, 60396}, {"", ""}}, 
   {302.0588, 1.2867241, "Meta"} -> {{138442, 1, 51871}, {"", ""}}, 
   {276.0543, 1.4092578, "Meta"} -> {{55717, 49647, 39186}, {"", ""}}, 
   {291.0175, 1.4124061, "Meta"} -> {{58873, 50693, 45413}, {"", ""}}, 
   {230.1631, 1.4211999, "Meta"} -> {{1, 1, 1}, 
     {"Leu Val [ C11 H22 N2 O3, db=83.67, overall=41.83 ]", ""}}, 
   {280.1058, 1.5567034, "Meta"} -> {{195399, 190808, 180038}, 
     {"Phe Asp [ C13 H16 N2 O5, db=70.05, overall=35.02 ]", ""}}, 
   {366.1426, 1.5676208, "Meta"} -> {{263331, 119281, 226893}, {"", ""}}, 
   {157.11, 1.5776898, "Meta"} -> {{98152, 81205, 83664}, 
     {"Tranexamic acid [ C8 H15 N O2, db=74.57, overall=37.29, KEGG \
ID=C12535, CAS ID=1197-18-8 ]", "1197-18-8"}}, 
   {219.1104, 1.6220001, "Meta"} -> {{53927, 60129, 61393}, 
     {"Pantothenic Acid [ C9 H17 N O5, db=55.18, overall=27.59, KEGG ID=, CAS \
ID=137-08-6 ]", "137-08-6"}}, {260.1369, 1.7801199, "Meta"} -> 
    {{159327, 147280, 1}, 
     {"Glu Leu [ C11 H20 N2 O5, db=77.86, overall=38.93 ]", ""}}, 
   {208.0161, 1.9748787, "Meta"} -> {{192624, 77120, 165682}, {"", ""}}, 
   {260.1368, 1.9889677, "Meta"} -> {{147649, 144856, 129579}, 
     {"Glu Leu [ C11 H20 N2 O5, db=90.71, overall=45.35 ]", ""}}, 
   {131.0368, 2.0663033, "Meta"} -> {{270892, 397530, 397509}, {"", ""}}, 
   {613.3187, 2.414278, "Meta"} -> {{398765, 333854, 356770}, {"", ""}}, 
   {294.1216, 2.470125, "Meta"} -> {{24298, 44081, 43688}, 
     {"Aspartame [ C14 H18 N2 O5, db=72.39, overall=36.19, HMP ID=HMDB01894, \
KEGG ID= ]", ""}}, {245.1627, 2.565185, "Meta"} -> 
    {{1, 1, 301133}, {"2-Methylbutyroylcarnitine [ C12 H23 N O4, db=86.34, \
overall=43.17, HMP ID=HMDB00378, KEGG ID= ]", ""}}, 
   {246.1366, 2.6443236, "Meta"} -> {{406230, 371717, 375230}, {"", ""}}, 
   {159.1255, 2.8531144, "Meta"} -> {{304959, 276394, 276390}, 
     {"DL-2-Aminooctanoic acid [ C8 H17 N O2, db=83.22, overall=41.61, HMP \
ID=HMDB00991, KEGG ID= ]", ""}}, {294.2798, 2.8666072, "Meta"} -> 
    {{143197, 276352, 275903}, {"", ""}}, {129.1512, 2.8755276, "Meta"} -> 
    {{1.04*^7, 1.29*^7, 1.53*^7}, {"", ""}}, {179.0578, 2.9460568, "Meta"} -> 
    {{8099641, 8029800, 7021825}, {"5,8-Dihydroxy-3,4-dihydrocarbostyril [ C9 \
H9 N O3, db=94.87, overall=47.43, KEGG ID=, CAS ID=59430-56-7 ]", 
      "59430-56-7"}}, {457.2172, 3.21976, "Meta"} -> 
    {{134595, 123593, 140449}, 
     {"Leu Tyr Tyr [ C24 H31 N3 O6, db=60.12, overall=30.06 ]", ""}}, 
   {113.0839, 3.4427686, "Meta"} -> {{1, 1, 138783}, {"", ""}}, 
   {457.2171, 3.449129, "Meta"} -> {{180501, 131984, 181799}, 
     {"Leu Tyr Tyr [ C24 H31 N3 O6, db=66.31, overall=33.16 ]", ""}}, 
   {353.0194, 3.4831946, "Meta"} -> {{93067, 76433, 72367}, 
     {"H 152/66 [ C16 H13 Cl2 N O4, db=34.19, overall=17.09, KEGG ID=, CAS \
ID=91854-02-3 ]", "91854-02-3"}}, {180.0646, 3.4828331, "Meta"} -> 
    {{1450452, 1445749, 1550617}, {"Paraxanthine [ C7 H8 N4 O2, db=97.04, \
overall=48.52, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {338.0584, 3.4828844, "Meta"} -> {{54902, 51734, 47436}, {"", ""}}, 
   {184.1207, 3.5528529, "Meta"} -> {{154329, 1, 355170}, {"", ""}}, 
   {286.0929, 3.6669033, "Meta"} -> {{1, 167464, 186923}, 
     {"5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin [ C15 H14 \
N2 O4, db=80.32, overall=40.16, KEGG ID=, CAS ID=28129-90-0 ]", 
      "28129-90-0"}}, {262.1315, 3.6955454, "Meta"} -> 
    {{96650, 78082, 78377}, 
     {"Pro Phe [ C14 H18 N2 O3, db=79.05, overall=39.52 ]", ""}}, 
   {484.3516, 3.714577, "Meta"} -> {{96461, 71481, 73646}, 
     {"(22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimethyl-23,24-tetradehydro-\
20-epivitamin D3 / (22S)-1alph [ C31 H48 O4, db=68.14, overall=34.07, Lipid \
ID=LMST03020487, KEGG ID= ]", ""}}, {264.1109, 3.7114289, "Meta"} -> 
    {{364052, 576753, 623739}, {"", ""}}, {300.9474, 3.7771254, "Meta"} -> 
    {{1, 50849, 49782}, {"", ""}}, {285.9843, 3.784971, "Meta"} -> 
    {{161184, 143830, 143113}, {"", ""}}, {406.0258, 3.779679, "Meta"} -> 
    {{80473, 50241, 78743}, {"", ""}}, {346.0054, 3.7820883, "Meta"} -> 
    {{315710, 244549, 261489}, {"", ""}}, {390.0608, 3.9207745, "Meta"} -> 
    {{41734, 44103, 41569}, {"", ""}}, {194.1056, 3.9298828, "Meta"} -> 
    {{1, 89096, 107130}, {"3-Hydroxy-N-glycyl-2,6-xylidine \
(3-Hydroxyglycinexylidide) [ C10 H14 N2 O2, db=79.20, overall=39.60, KEGG \
ID=, CAS ID=112606-87-8 ]", "112606-87-8"}}, {123.0431, 3.9404666, "Meta"} -> 
    {{60158, 56431, 62099}, {"Pyrazinamide [ C5 H5 N3 O, db=73.22, \
overall=36.61, KEGG ID=C01956, CAS ID=98-96-4 ]", "98-96-4"}}, 
   {180.0647, 3.9408891, "Meta"} -> {{2846922, 2654088, 2730927}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=98.66, overall=49.33, KEGG ID=, CAS \
ID=611-59-6 ]", "611-59-6"}}, {353.02, 3.9439723, "Meta"} -> 
    {{57995, 42506, 40665}, {"H 152/66 [ C16 H13 Cl2 N O4, db=40.19, \
overall=20.09, KEGG ID=, CAS ID=91854-02-3 ]", "91854-02-3"}}, 
   {338.06, 3.9440384, "Meta"} -> {{1, 25122, 25420}, 
     {"1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide (AICAR) [ C9 H15 \
N4 O8 P, db=56.82, overall=28.41, KEGG ID=C04677, CAS ID=3031-94-5 ]", 
      "3031-94-5"}}, {282.0003, 4.0873055, "Meta"} -> 
    {{279048, 252256, 222220}, {"", ""}}, {244.1785, 4.1058927, "Meta"} -> 
    {{116650, 106621, 96941}, 
     {"Leu Leu [ C12 H24 N2 O3, db=80.30, overall=40.15 ]", ""}}, 
   {315.2042, 4.138722, "Meta"} -> {{361233, 313956, 282565}, {"", ""}}, 
   {180.0646, 4.184583, "Meta"} -> {{1043992, 812585, 789585}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=96.10, overall=48.05, KEGG ID=, CAS \
ID=611-59-6 ]", "611-59-6"}}, {196.1205, 4.4604373, "Meta"} -> 
    {{30369, 23034, 23702}, {"", ""}}, {259.1781, 4.5265555, "Meta"} -> 
    {{21145, 21731, 1}, {"L-Glutamic acid dibutyl ester [ C13 H25 N O4, \
db=69.80, overall=34.90, KEGG ID=, CAS ID=4261-76-1 ]", "4261-76-1"}}, 
   {278.1625, 4.5463552, "Meta"} -> {{42506, 43726, 35905}, 
     {"Phe Leu [ C15 H22 N2 O3, db=77.05, overall=38.53 ]", ""}}, 
   {196.1206, 4.620389, "Meta"} -> {{97644, 70527, 92141}, {"", ""}}, 
   {145.0523, 4.6313715, "Meta"} -> {{126567, 155154, 147237}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=73.77, overall=36.88, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {221.0685, 4.632059, "Meta"} -> 
    {{47350, 38062, 51900}, {"5-Carboxymethoxy-3,4-dihydrocarbostyril [ C11 \
H11 N O4, db=64.45, overall=32.22, KEGG ID=, CAS ID=58898-50-3 ]", 
      "58898-50-3"}}, {399.1795, 4.9157567, "Meta"} -> 
    {{38401, 35678, 1}, 
     {"Tyr Ala Phe [ C21 H25 N3 O5, db=71.49, overall=35.75 ]", ""}}, 
   {185.1049, 4.9669666, "Meta"} -> {{355839, 328640, 351296}, 
     {"Ecgonine [ C9 H15 N O3, db=77.31, overall=38.66, KEGG ID=, CAS \
ID=481-37-8 ]", "481-37-8"}}, {649.3074, 5.013072, "Meta"} -> 
    {{36430, 32035, 35605}, {"", ""}}, {278.163, 5.0759177, "Meta"} -> 
    {{745918, 704716, 716778}, 
     {"Phe Leu [ C15 H22 N2 O3, db=99.27, overall=49.64 ]", ""}}, 
   {535.2641, 5.1008615, "Meta"} -> {{128240, 113122, 118727}, {"", ""}}, 
   {904.4772, 5.3270283, "Meta"} -> {{1780040, 1642918, 1622440}, {"", ""}}, 
   {145.0523, 5.4314723, "Meta"} -> {{211490, 222850, 245570}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=84.42, overall=42.21, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {129.0576, 5.434444, "Meta"} -> 
    {{416494, 419235, 487558}, {"", ""}}, {273.0317, 5.4347143, "Meta"} -> 
    {{45881, 32096, 30149}, {"", ""}}, {175.0629, 5.4345837, "Meta"} -> 
    {{528978, 357734, 312647}, {"3-Indoleacetic Acid [ C10 H9 N O2, db=84.76, \
overall=42.38, KEGG ID=C00954, CAS ID=87-51-4 ]", "87-51-4"}}, 
   {163.063, 5.4345, "Meta"} -> {{35838, 36586, 42106}, 
     {"p-Acetaminobenzaldehyde [ C9 H9 N O2, db=64.35, overall=32.17, KEGG \
ID=, CAS ID=122-85-0 ]", "122-85-0"}}, {317.1736, 5.4687505, "Meta"} -> 
    {{1, 41853, 38252}, 
     {"Leu Trp [ C17 H23 N3 O3, db=81.63, overall=40.81 ]", ""}}, 
   {780.393, 5.47776, "Meta"} -> {{17660, 13736, 15321}, 
     {"25-O-Desacetylrifampin [ C41 H56 N4 O11, db=84.35, overall=42.18, KEGG \
ID=, CAS ID=16783-99-6 ]", "16783-99-6"}}, {506.2009, 5.4841557, "Meta"} -> 
    {{146917, 142971, 154372}, {"", ""}}, {351.1581, 5.5261106, "Meta"} -> 
    {{407250, 355997, 352495}, 
     {"Trp Phe [ C20 H21 N3 O3, db=99.58, overall=49.79 ]", ""}}, 
   {462.2364, 5.543243, "Meta"} -> {{79692, 67992, 57714}, {"", ""}}, 
   {119.0735, 5.541345, "Meta"} -> {{411574, 384771, 417196}, {"", ""}}, 
   {312.1467, 5.5432773, "Meta"} -> {{1.84*^7, 1.72*^7, 1.77*^7}, 
     {"Phe Phe [ C18 H20 N2 O3, db=95.14, overall=47.57 ]", ""}}, 
   {112.0524, 5.5669603, "Meta"} -> {{1, 44926, 45989}, 
     {"3,5-hexadienoic acid [ C6 H8 O2, db=60.24, overall=30.12, Lipid ID=, \
KEGG ID= ]", ""}}, {415.2207, 5.670666, "Meta"} -> 
    {{19374, 13368, 16046}, 
     {"Phe Leu His [ C21 H29 N5 O4, db=66.52, overall=33.26 ]", ""}}, 
   {145.0523, 5.7114286, "Meta"} -> {{37729, 28855, 41060}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=58.30, overall=29.15, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {470.2164, 5.740111, "Meta"} -> 
    {{72271, 68752, 67967}, {"", ""}}, {486.1287, 5.7655144, "Meta"} -> 
    {{31337, 22266, 22770}, {"", ""}}, {814.2692, 5.7653933, "Meta"} -> 
    {{15544, 13900, 11849}, {"", ""}}, {352.0723, 5.766555, "Meta"} -> 
    {{140969, 126247, 131923}, {"Griseofulvin [ C17 H17 Cl O6, db=62.45, \
overall=31.22, KEGG ID=C06686, CAS ID=126-07-8 ]", "126-07-8"}}, 
   {561.114, 5.765363, "Meta"} -> {{23091, 14072, 11253}, {"", ""}}, 
   {367.0347, 5.766611, "Meta"} -> {{180887, 122897, 111368}, 
     {"H 167/87 [ C17 H15 Cl2 N O4, db=30.19, overall=15.10, KEGG ID=, CAS \
ID=91854-01-2 ]", "91854-01-2"}}, {137.0587, 5.7666464, "Meta"} -> 
    {{124044, 122028, 112529}, {"Isoniazid [ C6 H7 N3 O, db=85.82, \
overall=42.91, KEGG ID=C07054, CAS ID=54-85-3 ]", "54-85-3"}}, 
   {680.2204, 5.7653627, "Meta"} -> {{16416, 16068, 17450}, {"", ""}}, 
   {194.0796, 5.7665, "Meta"} -> {{1.12*^7, 9762464, 9245606}, 
     {"D-Glucoside [ C7 H14 O6, db=97.63, overall=48.82, HMP ID=HMDB03570, \
KEGG ID= ]", ""}}, {292.0482, 5.7668047, "Meta"} -> 
    {{68638, 65139, 60068}, {"", ""}}, {427.0664, 5.7660594, "Meta"} -> 
    {{28581, 22264, 21122}, {"", ""}}, {308.021, 5.7663703, "Meta"} -> 
    {{1, 23821, 1}, {"", ""}}, {336.0987, 5.766, "Meta"} -> 
    {{17268, 24494, 17401}, {"", ""}}, {339.0394, 5.7657404, "Meta"} -> 
    {{19659, 16435, 1}, {"", ""}}, {276.0943, 5.767443, "Meta"} -> 
    {{161805, 156318, 164530}, 
     {"Glu Glu [ C10 H16 N2 O7, db=91.86, overall=45.93 ]", ""}}, 
   {546.167, 5.766311, "Meta"} -> {{1, 24430, 22936}, {"", ""}}, 
   {82.0146, 5.7676473, "Meta"} -> {{307688, 312162, 303127}, {"", ""}}, 
   {450.2112, 6.0146294, "Meta"} -> {{138127, 118324, 121631}, {"", ""}}, 
   {598.3831, 6.149971, "Meta"} -> {{97433, 54924, 59704}, {"", ""}}, 
   {210.1363, 6.1674, "Meta"} -> {{153446, 170313, 152128}, {"", ""}}, 
   {1076.5251, 6.1918607, "Meta"} -> {{615877, 585415, 593564}, {"", ""}}, 
   {285.1937, 6.2077217, "Meta"} -> {{221228, 184605, 221854}, {"", ""}}, 
   {413.1947, 6.402389, "Meta"} -> {{73482, 69211, 69553}, 
     {"Phe Phe Thr [ C22 H27 N3 O5, db=96.85, overall=48.42 ]", ""}}, 
   {210.1363, 6.4091425, "Meta"} -> {{74340, 71674, 71802}, {"", ""}}, 
   {171.1256, 6.4184237, "Meta"} -> {{309272, 395108, 1}, 
     {"Gabapentin [ C9 H17 N O2, db=89.41, overall=44.71, KEGG ID=C07018, CAS \
ID=60142-96-3 ]", "60142-96-3"}}, {225.134, 6.4274607, "Meta"} -> 
    {{1, 176883, 213507}, {"", ""}}, {464.2267, 6.4558063, "Meta"} -> 
    {{70394, 67303, 70439}, {"", ""}}, {636.2752, 6.4700866, "Meta"} -> 
    {{88213, 86518, 94651}, 
     {" [ C34 H40 N2 O10, db=0.00, overall=30.97, mfg=61.94 ]", ""}}, 
   {401.8564, 6.4737997, "Meta"} -> {{98283, 83263, 87921}, {"", ""}}, 
   {1205.5684, 6.4744167, "Meta"} -> {{1261409, 1274044, 1125079}, {"", ""}}, 
   {650.291, 6.4855704, "Meta"} -> {{60708, 72892, 72094}, {"", ""}}, 
   {1072.4163, 6.52011, "Meta"} -> {{92470, 62986, 62889}, {"", ""}}, 
   {1019.5046, 6.519862, "Meta"} -> {{3388196, 3207375, 3281766}, {"", ""}}, 
   {339.8352, 6.519917, "Meta"} -> {{84911, 79401, 85136}, {"", ""}}, 
   {370.2202, 6.5523853, "Meta"} -> {{19201, 17888, 18363}, {"", ""}}, 
   {393.1896, 6.6016774, "Meta"} -> {{182562, 160825, 154008}, 
     {"Phe Leu Asp [ C19 H27 N3 O6, db=93.55, overall=46.78 ]", ""}}, 
   {1262.5898, 6.6459446, "Meta"} -> {{497840, 571091, 561868}, {"", ""}}, 
   {748.3746, 6.6664577, "Meta"} -> {{570722, 538937, 557654}, {"", ""}}, 
   {467.5117, 6.6833715, "Meta"} -> {{31778, 20779, 19759}, {"", ""}}, 
   {449.8743, 6.681861, "Meta"} -> {{94630, 101606, 101160}, {"", ""}}, 
   {1349.622, 6.682221, "Meta"} -> {{745111, 827390, 831394}, {"", ""}}, 
   {462.5233, 6.6829696, "Meta"} -> {{41672, 40884, 48807}, {"", ""}}, 
   {467.8464, 6.68125, "Meta"} -> {{21988, 1, 15717}, {"", ""}}, 
   {457.2013, 6.682588, "Meta"} -> {{14379, 15062, 18002}, {"", ""}}, 
   {1076.5258, 6.7304854, "Meta"} -> {{64506, 58191, 58332}, {"", ""}}, 
   {298.1418, 6.74896, "Meta"} -> {{35726, 1, 1}, {"Idebenone Metabolite \
(Benzenehexanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, \
db=73.54, overall=36.77, KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {1200.5566, 6.7732415, "Meta"} -> {{33603, 33230, 32538}, {"", ""}}, 
   {741.297, 6.7771387, "Meta"} -> {{73207, 70062, 84531}, {"", ""}}, 
   {189.0785, 6.956638, "Meta"} -> {{217346, 142279, 161332}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=94.09, overall=47.05, HMP \
ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {429.2361, 6.977999, "Meta"} -> {{70118, 39345, 46005}, 
     {"Pro Trp Lys [ C22 H31 N5 O4, db=90.19, overall=45.09 ]", ""}}, 
   {260.0935, 7.0326056, "Meta"} -> {{451514, 1609614, 100985}, 
     {"Furafylline [ C12 H12 N4 O3, db=57.24, overall=28.62, KEGG ID=, CAS \
ID=80288-49-9 ]", "80288-49-9"}}, {179.1517, 7.0339313, "Meta"} -> 
    {{262301, 1003699, 76936}, {"", ""}}, {162.1254, 7.032972, "Meta"} -> 
    {{8500496, 3.53*^7, 2209506}, {"", ""}}, {386.884, 7.089772, "Meta"} -> 
    {{237909, 126968, 120810}, {"", ""}}, {339.9438, 7.090166, "Meta"} -> 
    {{223131, 119615, 139683}, {"", ""}}, {165.9783, 7.0914993, "Meta"} -> 
    {{294468, 56835, 218547}, {"", ""}}, {324.978, 7.0900297, "Meta"} -> 
    {{85170, 56168, 60489}, {"", ""}}, {389.8912, 7.089734, "Meta"} -> 
    {{138333, 49342, 48188}, {"", ""}}, {554.8763, 7.0902586, "Meta"} -> 
    {{879172, 1, 517878}, {"", ""}}, {590.8546, 7.090121, "Meta"} -> 
    {{319727, 174758, 183955}, {"", ""}}, {166.9861, 7.0904727, "Meta"} -> 
    {{8031261, 6778094, 6303565}, {"", ""}}, {280.9265, 7.090501, "Meta"} -> 
    {{223360, 117986, 130412}, {"", ""}}, {264.9547, 7.0911846, "Meta"} -> 
    {{55967, 33427, 34405}, {"", ""}}, {395.8936, 7.0915, "Meta"} -> 
    {{83794, 72852, 75055}, {"", ""}}, {431.8628, 7.0915837, "Meta"} -> 
    {{77725, 41898, 49868}, {"", ""}}, {624.9684, 7.1091247, "Meta"} -> 
    {{34308, 24365, 18832}, {"", ""}}, {534.1705, 7.1183324, "Meta"} -> 
    {{1, 1, 12479}, {"", ""}}, {354.0646, 7.1213336, "Meta"} -> 
    {{47089, 41528, 49097}, {"", ""}}, {238.0838, 7.121195, "Meta"} -> 
    {{516415, 468238, 496800}, {"Propanoic acid, \
2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- [ C12 H14 O5, db=99.24, \
overall=49.62, KEGG ID=, CAS ID=53564-64-0 ]", "53564-64-0"}}, 
   {278.0763, 7.119251, "Meta"} -> {{290383, 212002, 271733}, {"", ""}}, 
   {351.0169, 7.127134, "Meta"} -> {{32832, 1, 20384}, {"", ""}}, 
   {1560.7216, 7.157438, "Meta"} -> {{30755, 26471, 24269}, {"", ""}}, 
   {941.4612, 7.1827216, "Meta"} -> {{122900, 103205, 100259}, {"", ""}}, 
   {299.2095, 7.264514, "Meta"} -> {{45189, 46278, 48117}, {"", ""}}, 
   {270.1572, 7.337296, "Meta"} -> {{75703, 62525, 51988}, {"", ""}}, 
   {280.1885, 7.331959, "Meta"} -> {{217063, 40534, 136876}, {"", ""}}, 
   {361.1425, 7.353097, "Meta"} -> {{36344, 32750, 25940}, 
     {"N-Acetylnorfloxacin [ C18 H20 F N3 O4, db=74.33, overall=37.17, KEGG \
ID=, CAS ID=74011-56-6 ]", "74011-56-6"}}, {309.194, 7.3625283, "Meta"} -> 
    {{144300, 134293, 157373}, {"Nadolol [ C17 H27 N O4, db=98.01, \
overall=49.00, KEGG ID=C07249, CAS ID=42200-33-9 ]", "42200-33-9"}}, 
   {920.4221, 7.436666, "Meta"} -> {{242972, 245091, 242841}, {"", ""}}, 
   {287.2094, 7.4803905, "Meta"} -> {{90618, 72260, 99388}, 
     {"O-octanoyl-R-carnitine [ C15 H29 N O4, db=84.96, overall=42.48, Lipid \
ID=, KEGG ID=C02838 ]", ""}}, {206.1518, 7.485084, "Meta"} -> 
    {{87084, 113345, 190184}, {"", ""}}, {174.0887, 7.533999, "Meta"} -> 
    {{1728984, 7416524, 1021941}, {"2-Propylglutaric acid [ C8 H14 O4, \
db=96.02, overall=48.01, KEGG ID=, CAS ID=32806-62-5 ]", "32806-62-5"}}, 
   {142.0625, 7.5357056, "Meta"} -> {{468607, 2030209, 258456}, 
     {"7-hydroxy-5-heptynoic acid [ C7 H10 O3, db=91.50, overall=45.75, Lipid \
ID=, KEGG ID= ]", ""}}, {833.3582, 7.620576, "Meta"} -> 
    {{43814, 37444, 37079}, {"", ""}}, {182.0914, 7.628904, "Meta"} -> 
    {{1, 82560, 1}, {"Dacarbazine [ C6 H10 N6 O, db=63.87, overall=31.94, \
KEGG ID=C06936, CAS ID=4342-03-4 ]", "3/4/42"}}, 
   {1389.6527, 7.619026, "Meta"} -> {{92983, 114278, 128418}, {"", ""}}, 
   {170.1415, 7.7676864, "Meta"} -> {{89808, 90443, 80669}, {"", ""}}, 
   {1193.519, 7.7542224, "Meta"} -> {{128802, 204296, 172403}, {"", ""}}, 
   {318.1216, 7.8365397, "Meta"} -> {{1, 19292, 21574}, 
     {"Fluvoxamine acid [ C14 H17 F3 N2 O3, db=57.11, overall=28.55, KEGG \
ID=, CAS ID=84692-89-7 ]", "84692-89-7"}}, {432.8377, 7.851473, "Meta"} -> 
    {{54463, 41920, 33906}, {"", ""}}, {433.1729, 7.8523235, "Meta"} -> 
    {{37246, 32957, 25219}, {"", ""}}, {1245.5992, 7.851389, "Meta"} -> 
    {{2399282, 2525799, 2565395}, {"", ""}}, {415.2002, 7.8513994, "Meta"} -> 
    {{192622, 207543, 199900}, {"", ""}}, {428.1836, 7.8517575, "Meta"} -> 
    {{56563, 56955, 49471}, 
     {"Ser Trp His [ C20 H24 N6 O5, db=49.60, overall=24.80 ]", ""}}, 
   {1298.5118, 7.8517423, "Meta"} -> {{98859, 96058, 85990}, {"", ""}}, 
   {863.401, 7.871555, "Meta"} -> {{969167, 798742, 968449}, {"", ""}}, 
   {916.3146, 7.8727407, "Meta"} -> {{106182, 81901, 70488}, {"", ""}}, 
   {189.0785, 7.8873053, "Meta"} -> {{66926, 57543, 60432}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=68.09, overall=34.05, HMP \
ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {185.1414, 7.8914566, "Meta"} -> {{167907, 131888, 148469}, 
     {"N-methyl-Gabapentin [ C10 H19 N O2, db=74.42, overall=37.21, KEGG ID=, \
CAS ID=102937-74-6 ]", "102937-74-6"}}, {208.0732, 8.064808, "Meta"} -> 
    {{1, 1, 1}, {"2,5-Dimethoxycinnamic acid [ C11 H12 O4, db=79.88, \
overall=39.94, HMP ID=HMDB02370, KEGG ID= ]", ""}}, 
   {318.1217, 8.112399, "Meta"} -> {{12744, 17237, 41164}, 
     {"Fluvoxamine acid [ C14 H17 F3 N2 O3, db=51.04, overall=25.52, KEGG \
ID=, CAS ID=84692-89-7 ]", "84692-89-7"}}, {186.1189, 8.142306, "Meta"} -> 
    {{417531, 404708, 147479}, {"", ""}}, {415.3079, 8.180323, "Meta"} -> 
    {{27379, 1, 1}, {"", ""}}, {301.2252, 8.18464, "Meta"} -> 
    {{148277, 125011, 143172}, {"", ""}}, {210.0888, 8.229969, "Meta"} -> 
    {{76980, 55524, 1}, {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 \
O4, db=76.31, overall=38.15, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {619.2852, 8.249543, "Meta"} -> {{195622, 191500, 196245}, 
     {" [ C34 H41 N3 O8, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {301.2252, 8.364499, "Meta"} -> {{77954, 68836, 73350}, {"", ""}}, 
   {224.1042, 8.49708, "Meta"} -> {{1, 41001, 62859}, {"", ""}}, 
   {222.0865, 8.595155, "Meta"} -> {{1, 136435, 1}, {"", ""}}, 
   {538.2428, 8.63658, "Meta"} -> {{16030, 14873, 14734}, {"", ""}}, 
   {289.1346, 8.648037, "Meta"} -> {{37439, 37240, 43799}, {"", ""}}, 
   {332.1369, 8.648942, "Meta"} -> {{199906, 295162, 359046}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=83.61, \
overall=41.80, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {247.1604, 8.659072, "Meta"} -> {{124289, 111026, 107136}, {"", ""}}, 
   {1395.5562, 8.677833, "Meta"} -> {{842382, 1373407, 1437790}, {"", ""}}, 
   {1237.4865, 8.679944, "Meta"} -> {{470175, 746486, 812152}, {"", ""}}, 
   {1290.4019, 8.679688, "Meta"} -> {{70157, 68042, 1}, {"", ""}}, 
   {1059.5352, 8.717444, "Meta"} -> {{257125, 229532, 241286}, {"", ""}}, 
   {201.1364, 8.713065, "Meta"} -> {{68689, 59685, 62914}, 
     {"Capryloylglycine [ C10 H19 N O3, db=67.21, overall=33.61, HMP \
ID=HMDB00832, KEGG ID= ]", ""}}, {302.1881, 8.721181, "Meta"} -> 
    {{52311, 47945, 48745}, {"2-Methoxyestradiol [ C19 H26 O3, db=78.62, \
overall=39.31, HMP ID=HMDB00405, KEGG ID= ]", ""}}, 
   {496.2306, 8.726456, "Meta"} -> {{90647, 78000, 80927}, {"", ""}}, 
   {594.2002, 8.727458, "Meta"} -> {{20080, 18857, 16309}, {"", ""}}, 
   {332.1369, 8.780612, "Meta"} -> {{498290, 1030726, 832061}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=85.03, \
overall=42.52, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {430.1107, 8.796733, "Meta"} -> {{40141, 53918, 63634}, {"", ""}}, 
   {300.1108, 8.80197, "Meta"} -> {{168580, 223617, 286028}, {"", ""}}, 
   {313.2252, 8.7906, "Meta"} -> {{113485, 104933, 132397}, {"", ""}}, 
   {286.2617, 8.82916, "Meta"} -> {{47682, 1, 34400}, {"", ""}}, 
   {346.1526, 8.849605, "Meta"} -> {{36541, 53803, 85802}, {"", ""}}, 
   {215.1519, 8.867749, "Meta"} -> {{133993, 111710, 117815}, {"", ""}}, 
   {224.1021, 8.969444, "Meta"} -> {{1, 33919, 35959}, {"", ""}}, 
   {223.1208, 8.969972, "Meta"} -> {{53358, 47728, 52445}, 
     {"Rimiterol [ C12 H17 N O3, db=47.61, overall=23.81, KEGG ID=, CAS \
ID=32953-89-2 ]", "32953-89-2"}}, {196.1092, 8.977416, "Meta"} -> 
    {{39975, 1, 38986}, {"Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- [ C11 \
H16 O3, db=59.23, overall=29.61, KEGG ID=, CAS ID=64111-04-2 ]", 
      "64111-04-2"}}, {253.165, 9.127285, "Meta"} -> 
    {{224440, 200737, 199643}, {"", ""}}, {199.157, 9.126751, "Meta"} -> 
    {{562363, 526606, 534260}, {"", ""}}, {1089.4962, 9.145666, "Meta"} -> 
    {{411482, 555401, 608147}, {"", ""}}, {346.1526, 9.17123, "Meta"} -> 
    {{26051, 35573, 57372}, {"", ""}}, {181.1102, 9.210125, "Meta"} -> 
    {{92029, 75479, 1}, {"2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- \
Metabolite [ C10 H15 N O2, db=76.98, overall=38.49, KEGG ID=, CAS ID= ]", 
      ""}}, {382.2563, 9.247962, "Meta"} -> {{336320, 318622, 310716}, 
     {"C17 Sphingosine-1-phosphate [ C17 H39 N2 O5 P, db=59.88, \
overall=29.94, Lipid ID=LMSP01040004, KEGG ID= ]", ""}}, 
   {592.3259, 9.304143, "Meta"} -> {{93089, 78010, 139269}, {"", ""}}, 
   {298.1321, 9.309667, "Meta"} -> {{50050, 54641, 53417}, {"", ""}}, 
   {411.1791, 9.316696, "Meta"} -> {{38795, 46626, 68172}, 
     {"Tyr Val Met [ C19 H29 N3 O5 S, db=58.11, overall=29.06 ]", ""}}, 
   {332.1369, 9.345439, "Meta"} -> {{30922, 33769, 68097}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=61.66, \
overall=30.83, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {189.1184, 9.360473, "Meta"} -> {{48246, 47331, 187294}, {"", ""}}, 
   {211.1571, 9.3698, "Meta"} -> {{56685, 52967, 48056}, {"", ""}}, 
   {196.1076, 9.373194, "Meta"} -> {{1, 1, 68865}, {"", ""}}, 
   {343.2259, 9.375806, "Meta"} -> {{13185, 1, 35192}, 
     {"dibucaine [ C20 H29 N3 O2, db=78.46, overall=39.23, KEGG ID=, CAS \
ID=85-79-0 ]", "85-79-0"}}, {594.3415, 9.429972, "Meta"} -> 
    {{230574, 208309, 262078}, {"L-Urobilin [ C33 H46 N4 O6, db=97.19, \
overall=48.59, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {202.1203, 9.477693, "Meta"} -> {{90068, 97672, 81644}, 
     {"sebacic acid [ C10 H18 O4, db=70.07, overall=35.04, KEGG ID=C08277, \
CAS ID=111-20-6 ]", "111-20-6"}}, {254.1153, 9.500695, "Meta"} -> 
    {{178997, 159927, 178334}, {"methyl \
4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ C13 H18 O5, \
db=77.56, overall=38.78, Lipid ID=, KEGG ID= ]", ""}}, 
   {640.2432, 9.499125, "Meta"} -> {{31334, 23538, 24991}, 
     {"5-Methyltetrahydropteroyltri-L-glutamate [ C25 H36 N8 O12, db=61.28, \
overall=30.64, KEGG ID=C04489, CAS ID= ]", ""}}, 
   {564.2544, 9.498889, "Meta"} -> {{85342, 78361, 75053}, {"", ""}}, 
   {330.2192, 9.5008, "Meta"} -> {{1, 1, 41357}, {"Gestodene metabolite 2 [ \
C21 H30 O3, db=68.18, overall=34.09, KEGG ID=, CAS ID= ]", ""}}, 
   {262.12, 9.519543, "Meta"} -> {{17594, 65502, 65882}, 
     {"Artemisin [ C15 H18 O4, db=68.17, overall=34.08, Lipid \
ID=LMPR01030020, KEGG ID=C09344 ]", ""}}, {264.1357, 9.516806, "Meta"} -> 
    {{229913, 182810, 171361}, {"", ""}}, {327.2406, 9.530406, "Meta"} -> 
    {{77706, 63638, 76707}, {"", ""}}, {463.184, 9.53997, "Meta"} -> 
    {{143189, 118555, 110182}, {"Ritodrine glucuronide [ C23 H29 N O9, \
db=95.20, overall=47.60, KEGG ID=, CAS ID=129464-58-0 ]", "129464-58-0"}}, 
   {273.1762, 9.569387, "Meta"} -> {{105321, 102717, 102453}, {"", ""}}, 
   {327.2405, 9.610461, "Meta"} -> {{101454, 97919, 101961}, {"", ""}}, 
   {273.1762, 9.6855, "Meta"} -> {{123090, 114065, 126027}, {"", ""}}, 
   {360.1935, 9.683611, "Meta"} -> {{102768, 94683, 87145}, 
     {"Aldosterone [ C21 H28 O5, db=80.00, overall=40.00, KEGG ID=, CAS \
ID=52-39-1 ]", "52-39-1"}}, {238.1201, 9.702206, "Meta"} -> 
    {{26330, 146009, 393761}, {"", ""}}, {520.202, 9.758688, "Meta"} -> 
    {{31666, 26800, 27945}, {"", ""}}, {422.2412, 9.75828, "Meta"} -> 
    {{289160, 245310, 247425}, {"", ""}}, {362.2091, 9.759223, "Meta"} -> 
    {{832345, 653613, 688484}, {"20alpha-Dihydroprednisolone [ C21 H30 O5, \
db=80.45, overall=40.22, KEGG ID=, CAS ID=15847-24-2 ]", "15847-24-2"}}, 
   {346.214, 9.791315, "Meta"} -> {{41781, 41089, 42021}, 
     {"Corticosterone [ C21 H30 O4, db=61.19, overall=30.59, HMP \
ID=HMDB01547, KEGG ID= ]", ""}}, {638.2274, 9.789353, "Meta"} -> 
    {{30797, 27179, 25043}, {"", ""}}, {346.1525, 9.793889, "Meta"} -> 
    {{196591, 228400, 304300}, {"", ""}}, {562.2387, 9.788788, "Meta"} -> 
    {{73613, 64123, 1}, {"", ""}}, {557.2833, 9.790912, "Meta"} -> 
    {{26765, 27944, 28198}, {"", ""}}, {510.2462, 9.815877, "Meta"} -> 
    {{24993, 22025, 20054}, {"", ""}}, {229.1674, 9.85191, "Meta"} -> 
    {{51016, 50696, 47966}, {"", ""}}, {548.2599, 9.858362, "Meta"} -> 
    {{33485, 26989, 31196}, {"", ""}}, {504.2344, 9.858466, "Meta"} -> 
    {{43324, 35549, 27113}, {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 \
O9, db=72.48, overall=36.24, KEGG ID=, CAS ID= ]", ""}}, 
   {470.3088, 9.879321, "Meta"} -> {{260037, 247066, 247050}, {"", ""}}, 
   {550.2021, 9.877315, "Meta"} -> {{27945, 23872, 23285}, {"", ""}}, 
   {346.1525, 9.904173, "Meta"} -> {{148520, 165615, 274774}, {"", ""}}, 
   {238.0238, 9.941334, "Meta"} -> {{98494, 103219, 108033}, {"", ""}}, 
   {396.272, 9.949917, "Meta"} -> {{232876, 222117, 219550}, {"", ""}}, 
   {352.1786, 9.951111, "Meta"} -> {{219513, 223749, 230428}, {"", ""}}, 
   {244.0709, 9.960057, "Meta"} -> {{63198, 54608, 72945}, 
     {"Uridine [ C9 H12 N2 O6, db=67.18, overall=33.59, KEGG ID=C00299, CAS \
ID=58-96-8 ]", "58-96-8"}}, {238.1185, 9.979892, "Meta"} -> 
    {{44449, 33669, 63138}, {"", ""}}, {330.1981, 9.977964, "Meta"} -> 
    {{161045, 97744, 79459}, 
     {"Val Arg Gly [ C13 H26 N6 O4, db=57.73, overall=28.86 ]", ""}}, 
   {284.0936, 9.975928, "Meta"} -> {{36653, 31716, 40505}, {"", ""}}, 
   {463.2106, 10.027572, "Meta"} -> {{17496, 14432, 12837}, {"", ""}}, 
   {314.1266, 10.0307455, "Meta"} -> {{116175, 146116, 187390}, {"", ""}}, 
   {314.2933, 10.043069, "Meta"} -> {{50360, 48534, 42323}, {"", ""}}, 
   {285.1574, 10.05632, "Meta"} -> {{18872, 16551, 1}, 
     {"6,7-Dimethyltetrahydropterin [ C15 H19 N5 O, db=55.04, overall=27.52, \
HMP ID=HMDB02397, KEGG ID= ]", ""}}, {300.1323, 10.061844, "Meta"} -> 
    {{60829, 56505, 54486}, {"8-Hydroxypromazine [ C17 H20 N2 O S, db=45.98, \
overall=22.99, KEGG ID=, CAS ID=130349-17-6 ]", "130349-17-6"}}, 
   {356.0424, 10.055119, "Meta"} -> {{76054, 49446, 39947}, {"", ""}}, 
   {758.2462, 10.054517, "Meta"} -> {{67051, 1, 58793}, {"", ""}}, 
   {524.1633, 10.055028, "Meta"} -> {{31297, 24380, 30719}, {"", ""}}, 
   {338.0701, 10.055571, "Meta"} -> {{280428, 239898, 222211}, 
     {"Asn Cys Cys [ C10 H18 N4 O5 S2, db=69.48, overall=34.74 ]", ""}}, 
   {240.0997, 10.05514, "Meta"} -> {{2895007, 2451647, 2522186}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=99.31, overall=49.66, KEGG ID=, CAS ID=56392-15-5 ]", "56392-15-5"}}, 
   {180.0783, 10.055166, "Meta"} -> {{352011, 320032, 321010}, 
     {"o-Methoxyhydrocinnamic acid [ C10 H12 O3, db=99.04, overall=49.52, \
KEGG ID=, CAS ID= ]", ""}}, {222.0891, 10.055057, "Meta"} -> 
    {{1767210, 1592875, 1606243}, {"2E,4E,8E,10E-Dodecatetraenedioic acid [ \
C12 H14 O4, db=99.63, overall=49.81, Lipid ID=, KEGG ID= ]", ""}}, 
   {773.212, 10.0548, "Meta"} -> {{19945, 1, 16953}, {"", ""}}, 
   {428.1355, 10.05561, "Meta"} -> {{45484, 43227, 32158}, {"", ""}}, 
   {284.0629, 10.055297, "Meta"} -> {{16844, 1, 21770}, {"", ""}}, 
   {370.0939, 10.056542, "Meta"} -> {{29608, 26308, 22944}, {"", ""}}, 
   {518.1473, 10.055831, "Meta"} -> {{102270, 74885, 71686}, {"", ""}}, 
   {353.0342, 10.055324, "Meta"} -> {{148517, 108365, 88670}, {"", ""}}, 
   {413.0684, 10.055799, "Meta"} -> {{77337, 1, 52531}, {"", ""}}, 
   {254.1151, 10.055778, "Meta"} -> {{90886, 86360, 87893}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=92.65, overall=46.32, Lipid ID=, KEGG ID= ]", ""}}, 
   {382.1291, 10.055561, "Meta"} -> {{31446, 30853, 27612}, 
     {"Asn Phe Cys [ C16 H22 N4 O5 S, db=52.83, overall=26.41 ]", ""}}, 
   {270.1108, 10.057515, "Meta"} -> {{1, 154858, 172265}, 
     {"Idebenone Metabolite (Benzenebutanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C13 H18 O6, db=87.10, overall=43.55, \
KEGG ID=, CAS ID=95233-52-6 ]", "95233-52-6"}}, 
   {238.0837, 10.05803, "Meta"} -> {{1, 35823, 50798}, 
     {"Propanoic acid, 2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- [ C12 H14 O5, \
db=79.56, overall=39.78, KEGG ID=, CAS ID=53564-64-0 ]", "53564-64-0"}}, 
   {329.2564, 10.071557, "Meta"} -> {{201456, 201066, 227585}, {"", ""}}, 
   {298.1417, 10.074715, "Meta"} -> {{71577, 105158, 111762}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=61.89, overall=30.94, \
KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {267.1807, 10.080885, "Meta"} -> {{68059, 52901, 1}, 
     {"Metoprolol [ C15 H25 N O3, db=55.81, overall=27.91, KEGG ID=C07202, \
CAS ID=51384-51-1 ]", "51384-51-1"}}, {213.1727, 10.082888, "Meta"} -> 
    {{152864, 145774, 101612}, {"", ""}}, {280.1306, 10.084135, "Meta"} -> 
    {{33598, 31160, 29740}, {"Betaxolol(deaminated) [ C15 H20 O5, db=67.92, \
overall=33.96, KEGG ID=, CAS ID=87549-34-6 ]", "87549-34-6"}}, 
   {324.0999, 10.10015, "Meta"} -> {{715227, 826623, 247987}, 
     {"7-Hydroxywarfarin [ C19 H16 O5, db=62.79, overall=31.40, KEGG ID=, CAS \
ID=17834-03-6 ]", "17834-03-6"}}, {542.2723, 10.113879, "Meta"} -> 
    {{19693, 19691, 18512}, {"", ""}}, {226.1503, 10.1374, "Meta"} -> 
    {{73604, 88161, 22003}, {"", ""}}, {564.2545, 10.16625, "Meta"} -> 
    {{44485, 1, 42339}, {"", ""}}, {157.1461, 10.186832, "Meta"} -> 
    {{122173, 152111, 389823}, {"", ""}}, {776.6856, 10.190693, "Meta"} -> 
    {{131454, 116686, 112568}, {"Thyroxine [ C15 H11 I4 N O4, db=98.31, \
overall=49.15, KEGG ID=C08212, CAS ID=51-48-9 ]", "51-48-9"}}, 
   {275.1915, 10.220444, "Meta"} -> {{252190, 240194, 254577}, {"", ""}}, 
   {258.165, 10.220358, "Meta"} -> {{22594, 26522, 29075}, {"", ""}}, 
   {250.1179, 10.22413, "Meta"} -> {{1, 30012, 21393}, {"", ""}}, 
   {210.123, 10.228934, "Meta"} -> {{138779, 106041, 110202}, {"", ""}}, 
   {346.1381, 10.229135, "Meta"} -> {{28217, 27144, 23677}, {"", ""}}, 
   {286.1097, 10.229067, "Meta"} -> {{27456, 23771, 23780}, 
     {"His Met [ C11 H18 N4 O3 S, db=62.46, overall=31.23 ]", ""}}, 
   {438.1865, 10.251937, "Meta"} -> {{31527, 23397, 23126}, 
     {"Phe Ser Trp [ C23 H26 N4 O5, db=47.42, overall=23.71 ]", ""}}, 
   {254.1509, 10.254307, "Meta"} -> {{24748, 31757, 19126}, {"", ""}}, 
   {222.1614, 10.2523, "Meta"} -> {{42909, 33570, 36933}, {"", ""}}, 
   {272.162, 10.262467, "Meta"} -> {{90415, 92388, 93046}, {"", ""}}, 
   {324.0948, 10.281, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {166.0989, 10.282687, "Meta"} -> {{64708, 1, 53101}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=46.36, overall=23.18, Lipid \
ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, {615.2453, 10.311601, "Meta"} -> 
    {{67335, 50994, 1}, {"", ""}}, {582.2476, 10.3178005, "Meta"} -> 
    {{489100, 687981, 820355}, {"Biliverdin IX [ C33 H34 N4 O6, db=70.82, \
overall=35.41, HMP ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", 
      " 114-25-0"}}, {612.2579, 10.319498, "Meta"} -> 
    {{98210, 84960, 36937}, {"", ""}}, {598.2435, 10.3203745, "Meta"} -> 
    {{78737, 56601, 60825}, {"", ""}}, {580.2318, 10.321624, "Meta"} -> 
    {{142820, 1, 131143}, {"", ""}}, {302.1078, 10.325857, "Meta"} -> 
    {{36941, 33559, 30262}, {"", ""}}, {299.1918, 10.32961, "Meta"} -> 
    {{394500, 352951, 358323}, {"", ""}}, {144.1147, 10.324371, "Meta"} -> 
    {{65828, 56981, 63393}, {"\207-ethyl caproic acid [ C8 H16 O2, db=81.51, \
overall=40.75, KEGG ID=, CAS ID= ]", ""}}, {489.1998, 10.348856, "Meta"} -> 
    {{60368, 45573, 45661}, {"Terbinafine metabolite glucuronide [ C25 H31 N \
O9, db=76.80, overall=38.40, KEGG ID=, CAS ID= ]", ""}}, 
   {264.0959, 10.353962, "Meta"} -> {{41712, 44292, 40619}, {"", ""}}, 
   {319.0784, 10.364562, "Meta"} -> {{22669, 24333, 81751}, {"", ""}}, 
   {453.2262, 10.414259, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {252.134, 10.437142, "Meta"} -> {{85890, 75550, 67787}, {"", ""}}, 
   {343.2186, 10.472101, "Meta"} -> {{45363, 1, 1}, {"", ""}}, 
   {632.2476, 10.46173, "Meta"} -> {{17816, 20934, 27828}, {"", ""}}, 
   {314.1266, 10.46791, "Meta"} -> {{29279, 44606, 52733}, {"", ""}}, 
   {245.145, 10.478071, "Meta"} -> {{95468, 61508, 63208}, {"", ""}}, 
   {690.4105, 10.481418, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {492.2092, 10.482031, "Meta"} -> {{28533, 25278, 25298}, {"", ""}}, 
   {416.2284, 10.482223, "Meta"} -> {{104032, 92243, 98306}, 
     {"Ramipril [ C23 H32 N2 O5, db=71.08, overall=35.54, KEGG ID=C07232, CAS \
ID=87333-19-5 ]", "87333-19-5"}}, {356.1961, 10.4823885, "Meta"} -> 
    {{152781, 127856, 121188}, {"", ""}}, {316.2036, 10.483486, "Meta"} -> 
    {{55735, 51091, 50736}, {"Acitretin Ro 23-4293 [ C20 H28 O3, db=83.16, \
overall=41.58, KEGG ID=, CAS ID=121693-28-5 ]", "121693-28-5"}}, 
   {319.218, 10.518692, "Meta"} -> {{39682, 34349, 36548}, {"", ""}}, 
   {250.118, 10.512572, "Meta"} -> {{63863, 44771, 45676}, {"", ""}}, 
   {205.1132, 10.609686, "Meta"} -> {{134042, 125771, 114149}, {"", ""}}, 
   {218.0879, 10.616875, "Meta"} -> {{1, 82068, 108578}, {"", ""}}, 
   {254.1511, 10.619676, "Meta"} -> {{59404, 60136, 1}, {"", ""}}, 
   {243.1831, 10.626083, "Meta"} -> {{329329, 193889, 191863}, {"", ""}}, 
   {225.1725, 10.6266775, "Meta"} -> {{59373, 44008, 32181}, {"", ""}}, 
   {385.2821, 10.648808, "Meta"} -> {{20719, 20656, 22315}, {"", ""}}, 
   {602.2044, 10.638667, "Meta"} -> {{20526, 28663, 23786}, {"", ""}}, 
   {545.3771, 10.661119, "Meta"} -> {{149186, 148685, 157949}, {"", ""}}, 
   {325.2075, 10.677681, "Meta"} -> {{1, 35312, 28931}, {"", ""}}, 
   {173.1233, 10.677229, "Meta"} -> {{119657, 148836, 342629}, {"", ""}}, 
   {171.1619, 10.675749, "Meta"} -> {{110818, 114041, 125967}, {"", ""}}, 
   {301.2074, 10.694365, "Meta"} -> {{1, 102730, 1}, {"", ""}}, 
   {286.1105, 10.689359, "Meta"} -> {{45720, 43853, 48291}, 
     {"Hydroxymelphalan [ C13 H19 Cl N2 O3, db=66.75, overall=33.38, KEGG \
ID=, CAS ID=61733-01-5 ]", "61733-01-5"}}, {346.1349, 10.691233, "Meta"} -> 
    {{42998, 48172, 41451}, {"", ""}}, {343.2722, 10.704386, "Meta"} -> 
    {{86530, 75465, 93106}, {"Dodecanoylcarnitine [ C19 H37 N O4, db=90.71, \
overall=45.36, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {302.1125, 10.712086, "Meta"} -> {{22666, 20217, 25584}, {"", ""}}, 
   {340.1257, 10.728134, "Meta"} -> {{25891, 25498, 23533}, {"", ""}}, 
   {242.1516, 10.728, "Meta"} -> {{41309, 194698, 190055}, {"", ""}}, 
   {400.1631, 10.728265, "Meta"} -> {{24651, 33510, 30809}, 
     {"N-AcetylCilastatin [ C18 H28 N2 O6 S, db=63.48, overall=31.74, KEGG \
ID=, CAS ID=94388-32-6 ]", "94388-32-6"}}, {331.2723, 10.732485, "Meta"} -> 
    {{49308, 50370, 49044}, {"", ""}}, {252.1335, 10.748029, "Meta"} -> 
    {{45500, 40690, 40563}, {"", ""}}, {212.1408, 10.760103, "Meta"} -> 
    {{28078, 34070, 38334}, {"12-oxo-10Z-dodecenoic acid [ C12 H20 O3, \
db=80.89, overall=40.45, Lipid ID=, KEGG ID= ]", ""}}, 
   {239.1884, 10.751323, "Meta"} -> {{56528, 1, 49106}, {"", ""}}, 
   {226.0562, 10.78225, "Meta"} -> {{82126, 75873, 108613}, {"", ""}}, 
   {367.2718, 10.79603, "Meta"} -> {{45900, 52860, 45457}, {"", ""}}, 
   {262.1177, 10.825701, "Meta"} -> {{110519, 98110, 102675}, {"", ""}}, 
   {343.2721, 10.835971, "Meta"} -> {{159771, 133909, 199386}, 
     {"Dodecanoylcarnitine [ C19 H37 N O4, db=97.12, overall=48.56, HMP \
ID=HMDB02250, KEGG ID= ]", ""}}, {227.1882, 10.834806, "Meta"} -> 
    {{522385, 344407, 270067}, {"", ""}}, {281.1964, 10.834471, "Meta"} -> 
    {{256184, 157021, 135716}, {"", ""}}, {589.4036, 10.839125, "Meta"} -> 
    {{142435, 134634, 148403}, {"", ""}}, {316.1647, 10.838167, "Meta"} -> 
    {{57466, 31237, 32512}, {"Gibberellin A9 [ C19 H24 O4, db=60.62, \
overall=30.31, Lipid ID=LMPR01040080, KEGG ID=C11863 ]", ""}}, 
   {594.3588, 10.837862, "Meta"} -> {{202655, 191364, 190532}, {"", ""}}, 
   {346.1531, 10.850415, "Meta"} -> {{1, 32991, 46281}, {"", ""}}, 
   {360.1682, 10.850501, "Meta"} -> {{28486, 38434, 60748}, {"", ""}}, 
   {328.142, 10.851166, "Meta"} -> {{128110, 125680, 223346}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=71.54, overall=35.77 ]", ""}}, 
   {298.1327, 10.851243, "Meta"} -> {{21251, 17330, 24342}, {"", ""}}, 
   {355.272, 10.84606, "Meta"} -> {{195171, 175725, 212656}, {"", ""}}, 
   {383.288, 10.873963, "Meta"} -> {{93122, 90269, 96403}, {"", ""}}, 
   {388.2436, 10.871462, "Meta"} -> {{1, 129304, 126662}, 
     {"Thr Ile Arg [ C16 H32 N6 O5, db=61.43, overall=30.71 ]", ""}}, 
   {284.1808, 10.88514, "Meta"} -> {{72980, 57242, 74845}, {"", ""}}, 
   {301.2077, 10.885583, "Meta"} -> {{1923764, 1799304, 1981856}, {"", ""}}, 
   {276.1936, 10.92211, "Meta"} -> {{153983, 162545, 21799}, {"", ""}}, 
   {342.3243, 10.933499, "Meta"} -> {{35486, 44935, 1}, {"", ""}}, 
   {242.1516, 10.939269, "Meta"} -> {{397529, 364494, 356342}, {"", ""}}, 
   {400.163, 10.940041, "Meta"} -> {{51818, 54676, 59854}, 
     {"N-AcetylCilastatin [ C18 H28 N2 O6 S, db=61.45, overall=30.73, KEGG \
ID=, CAS ID=94388-32-6 ]", "94388-32-6"}}, {287.2463, 10.968501, "Meta"} -> 
    {{94780, 75030, 86988}, {"", ""}}, {498.3417, 10.976148, "Meta"} -> 
    {{68548, 66711, 187729}, {"", ""}}, {381.2882, 10.990801, "Meta"} -> 
    {{24235, 22262, 23364}, {"5,6-DiHETrE-EA [ C22 H39 N O4, db=62.62, \
overall=31.31, Lipid ID=LMFA08040029, KEGG ID= ]", ""}}, 
   {431.2308, 10.993176, "Meta"} -> {{13499, 14462, 1}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=63.44, overall=31.72 ]", ""}}, 
   {414.2039, 10.993806, "Meta"} -> {{89348, 75853, 78224}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=75.35, overall=37.67 ]", ""}}, 
   {616.403, 10.994139, "Meta"} -> {{217801, 208342, 210213}, {"", ""}}, 
   {633.4297, 10.99538, "Meta"} -> {{116772, 117940, 119234}, {"", ""}}, 
   {285.9721, 10.995276, "Meta"} -> {{72447, 55851, 55854}, {"", ""}}, 
   {249.1109, 11.002543, "Meta"} -> {{44210, 41320, 86096}, {"", ""}}, 
   {440.2017, 10.997424, "Meta"} -> {{1, 40466, 32085}, 
     {"Phe Gln Phe [ C23 H28 N4 O5, db=38.67, overall=19.34 ]", ""}}, 
   {276.1334, 11.004139, "Meta"} -> {{46086, 51357, 40652}, 
     {"Saccharopine [ C11 H20 N2 O6, db=56.45, overall=28.23, KEGG ID=, CAS \
ID=997-68-2 ]", "997-68-2"}}, {465.3087, 11.014788, "Meta"} -> 
    {{62999, 53639, 53941}, {"Cholylglycine [ C26 H43 N O6, db=75.71, \
overall=37.85, KEGG ID=, CAS ID=475-31-0 ]", "475-31-0"}}, 
   {236.1403, 11.007713, "Meta"} -> {{98389, 81770, 54092}, {"", ""}}, 
   {345.2335, 11.036324, "Meta"} -> {{244145, 207436, 220376}, {"", ""}}, 
   {410.2874, 11.06508, "Meta"} -> {{146687, 136886, 140192}, {"", ""}}, 
   {402.2185, 11.074946, "Meta"} -> {{33705, 32456, 31357}, 
     {"Trandolaprilat [ C22 H30 N2 O5, db=47.66, overall=23.83, KEGG ID=, CAS \
ID=87679-71-8 ]", "87679-71-8"}}, {276.0972, 11.078914, "Meta"} -> 
    {{120311, 77030, 120446}, 
     {"Glu Glu [ C10 H16 N2 O7, db=71.47, overall=35.73 ]", ""}}, 
   {331.2721, 11.109583, "Meta"} -> {{87962, 58763, 83620}, {"", ""}}, 
   {402.1563, 11.114313, "Meta"} -> {{182370, 579087, 38690}, {"", ""}}, 
   {321.215, 11.114806, "Meta"} -> {{1882163, 6464231, 397950}, {"", ""}}, 
   {304.1884, 11.114723, "Meta"} -> {{6110964, 1.9*^7, 1147524}, {"", ""}}, 
   {224.0838, 11.132531, "Meta"} -> {{16627, 1, 23365}, {"", ""}}, 
   {278.0912, 11.133195, "Meta"} -> {{1, 13759, 29302}, 
     {"Glu Met [ C10 H18 N2 O5 S, db=50.61, overall=25.31 ]", ""}}, 
   {327.223, 11.149416, "Meta"} -> {{226483, 176978, 219970}, 
     {"Levonorgestrel oxime [ C21 H29 N O2, db=60.97, overall=30.49, KEGG \
ID=, CAS ID=53016-31-2 ]", "53016-31-2"}}, {172.1474, 11.181901, "Meta"} -> 
    {{123012, 87574, 102286}, {"3-methyl-nonanoic acid [ C10 H20 O2, \
db=48.71, overall=24.36, Lipid ID=, KEGG ID= ]", ""}}, 
   {238.1544, 11.197818, "Meta"} -> {{132437, 120162, 145573}, {"", ""}}, 
   {265.0592, 11.2015, "Meta"} -> {{116265, 43451, 310084}, {"", ""}}, 
   {256.1671, 11.202999, "Meta"} -> {{89360, 85759, 1}, {"", ""}}, 
   {331.272, 11.201206, "Meta"} -> {{38685, 46861, 23586}, {"", ""}}, 
   {202.1566, 11.219847, "Meta"} -> {{192362, 142755, 111078}, 
     {"10-hydroxy-undecanoic acid [ C11 H22 O3, db=57.60, overall=28.80, \
Lipid ID=, KEGG ID= ]", ""}}, {357.2877, 11.224555, "Meta"} -> 
    {{365528, 332079, 404355}, {"", ""}}, {287.2463, 11.230424, "Meta"} -> 
    {{30843, 24816, 51799}, {"", ""}}, {286.196, 11.254839, "Meta"} -> 
    {{25973, 26082, 25684}, {"Androstenedione [ C19 H26 O2, db=51.24, \
overall=25.62, KEGG ID=C00280, CAS ID=63-05-8 ]", "63-05-8"}}, 
   {306.1806, 11.240032, "Meta"} -> {{59934, 48723, 50990}, 
     {"Tetranor Iloprost [ C18 H26 O4, db=57.37, overall=28.69, KEGG ID=, CAS \
ID=93220-69-0 ]", "93220-69-0"}}, {303.223, 11.255501, "Meta"} -> 
    {{452124, 392286, 450078}, {"", ""}}, {288.1332, 11.251001, "Meta"} -> 
    {{35077, 31811, 35099}, {"4-Methylumbelliferyl heptanoate [ C17 H20 O4, \
db=40.76, overall=20.38, KEGG ID=, CAS ID=18319-92-1 ]", "18319-92-1"}}, 
   {248.1406, 11.251324, "Meta"} -> {{21305, 16481, 18139}, 
     {"2,4-Pentadienoic acid, \
3-methyl-5-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)- [ C15 H20 O3, db=58.71, \
overall=29.36, KEGG ID=, CAS ID=126624-24-6 ]", "126624-24-6"}}, 
   {358.2326, 11.257731, "Meta"} -> {{84519, 71856, 1}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=70.59, overall=35.30 ]", ""}}, 
   {717.4275, 11.272499, "Meta"} -> {{56106, 58817, 98267}, {"", ""}}, 
   {587.1718, 11.289588, "Meta"} -> {{16796, 15624, 1}, {"", ""}}, 
   {294.1107, 11.290332, "Meta"} -> {{17050, 25330, 1}, {"", ""}}, 
   {1280.5605, 11.288729, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {452.1514, 11.289388, "Meta"} -> {{52147, 56755, 49477}, {"", ""}}, 
   {586.2752, 11.289446, "Meta"} -> {{84600, 114073, 98070}, {"", ""}}, 
   {527.1393, 11.289233, "Meta"} -> {{95569, 73476, 53970}, {"", ""}}, 
   {496.1945, 11.289706, "Meta"} -> {{27060, 20022, 15934}, 
     {"Trp Glu Tyr [ C25 H28 N4 O7, db=59.40, overall=29.70 ]", ""}}, 
   {845.4351, 11.289027, "Meta"} -> {{155294, 162938, 148892}, {"", ""}}, 
   {530.1451, 11.290032, "Meta"} -> {{49050, 38724, 31551}, 
     {"Ketoconazole [ C26 H28 Cl2 N4 O4, db=59.08, overall=29.54, KEGG \
ID=C07061, CAS ID=65277-42-1 ]", "65277-42-1"}}, 
   {531.2824, 11.290118, "Meta"} -> {{19898, 19099, 19967}, {"", ""}}, 
   {866.3558, 11.289026, "Meta"} -> {{46636, 40549, 39629}, {"", ""}}, 
   {876.3872, 11.289584, "Meta"} -> {{25264, 26825, 21245}, {"", ""}}, 
   {608.2851, 11.289752, "Meta"} -> {{1, 16166, 1}, 
     {" [ C34 H42 N O9, db=0.00, overall=41.18, mfg=82.37 ]", ""}}, 
   {445.2463, 11.290056, "Meta"} -> {{91779, 92956, 95569}, {"", ""}}, 
   {534.248, 11.289888, "Meta"} -> {{713295, 774176, 786940}, {"", ""}}, 
   {512.1748, 11.289804, "Meta"} -> {{196460, 195807, 179404}, {"", ""}}, 
   {485.2606, 11.290346, "Meta"} -> {{53070, 28044, 31460}, {"", ""}}, 
   {414.2037, 11.289584, "Meta"} -> {{8488576, 8470538, 7802949}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=82.04, overall=41.02 ]", ""}}, 
   {280.131, 11.2896385, "Meta"} -> {{68117, 74122, 74747}, 
     {"Betaxolol(deaminated) [ C15 H20 O5, db=93.07, overall=46.54, KEGG ID=, \
CAS ID=87549-34-6 ]", "87549-34-6"}}, {431.2309, 11.289611, "Meta"} -> 
    {{2727471, 2652724, 2512500}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=83.76, overall=41.88 ]", ""}}, 
   {487.292, 11.2910595, "Meta"} -> {{34275, 25135, 27843}, {"", ""}}, 
   {544.1991, 11.289091, "Meta"} -> {{14901, 19439, 1}, {"", ""}}, 
   {471.2445, 11.291112, "Meta"} -> {{1, 26388, 1}, {"", ""}}, 
   {459.2618, 11.289667, "Meta"} -> {{338716, 379801, 312995}, 
     {"Arg Val Trp [ C22 H33 N7 O4, db=83.80, overall=41.90 ]", ""}}, 
   {457.2271, 11.291111, "Meta"} -> {{90396, 77923, 73239}, {"", ""}}, 
   {493.246, 11.289943, "Meta"} -> {{24134, 24220, 26086}, 
     {"Epothilone A [ C26 H39 N O6 S, db=62.97, overall=31.48, Lipid \
ID=LMPK01000045, KEGG ID=C12153 ]", ""}}, {560.2447, 11.289834, "Meta"} -> 
    {{26160, 28130, 29181}, {"Chloramphenicol palmitate [ C27 H42 Cl2 N2 O6, \
db=50.93, overall=25.46, KEGG ID=C11726, CAS ID=530-43-8 ]", "530-43-8"}}, 
   {473.2773, 11.28986, "Meta"} -> {{58449, 72774, 87497}, 
     {"Leu Trp Arg [ C23 H35 N7 O4, db=65.72, overall=32.86 ]", ""}}, 
   {480.1932, 11.290501, "Meta"} -> {{50544, 39550, 30612}, {"", ""}}, 
   {440.2009, 11.290919, "Meta"} -> {{158053, 133173, 115651}, 
     {"punaglandin 8 [ C23 H33 Cl O6, db=31.94, overall=15.97, Lipid \
ID=LMFA03120045, KEGG ID= ]", ""}}, {749.4477, 11.296001, "Meta"} -> 
    {{1, 14805, 13312}, {"", ""}}, {455.3245, 11.3231, "Meta"} -> 
    {{1, 35159, 36928}, {"", ""}}, {369.2876, 11.339501, "Meta"} -> 
    {{138470, 127501, 207029}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, \
db=97.62, overall=48.81, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {226.1929, 11.347332, "Meta"} -> {{134456, 131527, 122808}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=85.58, overall=42.79, \
KEGG ID=, CAS ID= ]", ""}}, {336.1572, 11.353258, "Meta"} -> 
    {{282199, 68134, 76247}, {"", ""}}, {243.2196, 11.351666, "Meta"} -> 
    {{46825, 38122, 41160}, {"2-amino-tetradecanoic acid [ C14 H29 N O2, \
db=77.47, overall=38.74, Lipid ID=, KEGG ID= ]", ""}}, 
   {256.1672, 11.371285, "Meta"} -> {{1, 178574, 36129}, {"", ""}}, 
   {285.1361, 11.375806, "Meta"} -> {{455077, 430721, 107339}, 
     {"Morphine [ C17 H19 N O3, db=95.72, overall=47.86, KEGG ID=C01516, CAS \
ID=57-27-2 ]", "57-27-2"}}, {282.1465, 11.395613, "Meta"} -> 
    {{151430, 135766, 128153}, {"Artemisinin [ C15 H22 O5, db=88.47, \
overall=44.23, KEGG ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {208.1094, 11.39564, "Meta"} -> {{256816, 233970, 191934}, 
     {"1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo- [ C12 H16 O3, \
db=81.98, overall=40.99, KEGG ID=, CAS ID=28043-09-6 ]", "28043-09-6"}}, 
   {250.1206, 11.395556, "Meta"} -> {{1727770, 1512139, 1532120}, 
     {"Ubiquinone [ C14 H18 O4, db=99.59, overall=49.80, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {366.1019, 11.395695, "Meta"} -> 
    {{249359, 211718, 206108}, 
     {"Cys Asn Met [ C12 H22 N4 O5 S2, db=72.32, overall=36.16 ]", ""}}, 
   {381.0665, 11.395805, "Meta"} -> {{101115, 77680, 66479}, {"", ""}}, 
   {268.131, 11.395668, "Meta"} -> {{3018769, 2716283, 2607653}, {"", ""}}, 
   {842.34, 11.395239, "Meta"} -> {{41784, 48303, 1}, {"", ""}}, 
   {589.1759, 11.39528, "Meta"} -> {{25066, 18584, 17285}, {"", ""}}, 
   {384.0751, 11.395806, "Meta"} -> {{82058, 51506, 46028}, {"", ""}}, 
   {649.2068, 11.395183, "Meta"} -> {{43414, 32698, 28243}, {"", ""}}, 
   {504.2696, 11.396668, "Meta"} -> {{70220, 54472, 50165}, {"", ""}}, 
   {312.0943, 11.396322, "Meta"} -> {{21173, 25209, 27280}, {"", ""}}, 
   {575.2477, 11.396999, "Meta"} -> {{34400, 26458, 27535}, {"", ""}}, 
   {328.1616, 11.3960285, "Meta"} -> {{102772, 107683, 88828}, 
     {"Methotrimeprazine [ C19 H24 N2 O S, db=76.92, overall=38.46, KEGG \
ID=C07192, CAS ID=60-99-1 ]", "60-99-1"}}, {441.1043, 11.396527, "Meta"} -> 
    {{66152, 65412, 50682}, {"", ""}}, {398.1249, 11.39558, "Meta"} -> 
    {{24938, 1, 25623}, 
     {"Cys Tyr Asn [ C16 H22 N4 O6 S, db=64.30, overall=32.15 ]", ""}}, 
   {410.1626, 11.397676, "Meta"} -> {{1, 40688, 42312}, 
     {"Phe Asn Met [ C18 H26 N4 O5 S, db=72.68, overall=36.34 ]", ""}}, 
   {426.1383, 11.396766, "Meta"} -> {{153419, 183247, 175306}, 
     {"Mometasone [ C22 H28 Cl2 O4, db=54.85, overall=27.42, KEGG ID=C07816, \
CAS ID=105102-22-5 ]", "105102-22-5"}}, {136.1248, 11.399722, "Meta"} -> 
    {{62326, 56368, 50635}, {"(+)-Limonene [ C10 H16, db=85.33, \
overall=42.67, Lipid ID=LMPR01020041, KEGG ID=C06099 ]", ""}}, 
   {266.115, 11.397911, "Meta"} -> {{28300, 33365, 37455}, {"", ""}}, 
   {214.1567, 11.399723, "Meta"} -> {{372686, 765244, 721498}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=86.76, overall=43.38, \
Lipid ID=, KEGG ID= ]", ""}}, {274.189, 11.399056, "Meta"} -> 
    {{111967, 103240, 109536}, {"", ""}}, {312.1249, 11.399559, "Meta"} -> 
    {{30839, 29967, 32076}, {"", ""}}, {154.1354, 11.39986, "Meta"} -> 
    {{111019, 92117, 96264}, {"Linalool [ C10 H18 O, db=84.18, overall=42.09, \
Lipid ID=LMPR01020038, KEGG ID=C03985 ]", ""}}, 
   {647.4454, 11.415207, "Meta"} -> {{177260, 146685, 149828}, {"", ""}}, 
   {196.1447, 11.415208, "Meta"} -> {{35539, 31120, 24441}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=61.34, overall=30.67, Lipid ID=, \
KEGG ID= ]", ""}}, {397.3034, 11.419818, "Meta"} -> 
    {{138175, 58924, 126859}, {"", ""}}, {518.121, 11.434154, "Meta"} -> 
    {{23444, 18519, 13651}, {"", ""}}, {336.157, 11.451531, "Meta"} -> 
    {{170924, 44186, 47656}, {"", ""}}, {246.1829, 11.451807, "Meta"} -> 
    {{72984, 34049, 67148}, {"", ""}}, {241.2038, 11.455589, "Meta"} -> 
    {{65315, 38795, 53323}, {"", ""}}, {478.2178, 11.45214, "Meta"} -> 
    {{46938, 40464, 45296}, {"Formestane-4-O-glucuronide [ C25 H34 O9, \
db=82.02, overall=41.01, KEGG ID=, CAS ID=102848-54-4 ]", "102848-54-4"}}, 
   {210.1249, 11.457354, "Meta"} -> {{76332, 59877, 53165}, 
     {"Jasmonic acid [ C12 H18 O3, db=81.52, overall=40.76, Lipid \
ID=LMFA02020001, KEGG ID= ]", ""}}, {342.2878, 11.461249, "Meta"} -> 
    {{1, 21702, 18610}, {"", ""}}, {367.1506, 11.475408, "Meta"} -> 
    {{1, 70937, 55385}, 
     {"Asp His Pro [ C15 H21 N5 O6, db=71.89, overall=35.95 ]", ""}}, 
   {285.1362, 11.475694, "Meta"} -> {{735697, 656925, 647559}, 
     {"Morphine [ C17 H19 N O3, db=98.62, overall=49.31, KEGG ID=C01516, CAS \
ID=57-27-2 ]", "57-27-2"}}, {528.1969, 11.478286, "Meta"} -> 
    {{78831, 74423, 66555}, {"", ""}}, {460.2096, 11.476846, "Meta"} -> 
    {{45281, 40303, 41497}, 
     {"Trp Gln Gln [ C21 H28 N6 O6, db=60.46, overall=30.23 ]", ""}}, 
   {311.2457, 11.484715, "Meta"} -> {{290184, 265334, 245038}, {"", ""}}, 
   {347.2489, 11.499638, "Meta"} -> {{70176, 71655, 76346}, {"", ""}}, 
   {356.2318, 11.490559, "Meta"} -> {{22903, 19880, 20253}, 
     {"Estradiol valerate [ C23 H32 O3, db=40.90, overall=20.45, Lipid \
ID=LMST02010039, KEGG ID=C12859 ]", ""}}, {344.1596, 11.518447, "Meta"} -> 
    {{179438, 167606, 146613}, {"16-Hydroxy-4-carboxyretinoic acid [ C20 H24 \
O5, db=62.38, overall=31.19, KEGG ID=, CAS ID=99665-36-8 ]", "99665-36-8"}}, 
   {414.204, 11.526778, "Meta"} -> {{16636, 1, 1}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=76.96, overall=38.48 ]", ""}}, 
   {413.2931, 11.527801, "Meta"} -> {{38746, 34760, 35998}, {"", ""}}, 
   {449.3137, 11.528334, "Meta"} -> {{85414, 80067, 78818}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=91.01, overall=45.51, HMP \
ID=HMDB00708, KEGG ID= ]", ""}}, {431.3032, 11.527909, "Meta"} -> 
    {{103302, 91034, 88358}, {"", ""}}, {250.1557, 11.546168, "Meta"} -> 
    {{43045, 39500, 40670}, {"Gemfibrozil [ C15 H22 O3, db=55.73, \
overall=27.87, KEGG ID=, CAS ID=25812-30-0 ]", "25812-30-0"}}, 
   {632.2483, 11.548585, "Meta"} -> {{682855, 1054853, 1566879}, {"", ""}}, 
   {441.3298, 11.567675, "Meta"} -> {{148200, 135729, 151307}, {"", ""}}, 
   {424.3029, 11.567376, "Meta"} -> {{256911, 65935, 1}, 
     {"2alpha-Fluoro-19-nor-22-oxa-1alpha,25-dihydroxyvitamin D3 [ C25 H41 F \
O4, db=58.90, overall=29.45, Lipid ID=LMST03020616, KEGG ID= ]", ""}}, 
   {488.2383, 11.5761385, "Meta"} -> {{43821, 34155, 27648}, {"", ""}}, 
   {329.2389, 11.608471, "Meta"} -> {{1213145, 1099416, 1346684}, {"", ""}}, 
   {280.165, 11.619699, "Meta"} -> {{129461, 130288, 93915}, {"", ""}}, 
   {386.1862, 11.624001, "Meta"} -> {{35715, 26543, 23689}, {"", ""}}, 
   {386.2455, 11.630222, "Meta"} -> {{187374, 159088, 151725}, 
     {"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid [ C24 H34 O4, \
db=85.79, overall=42.90, Lipid ID=, KEGG ID= ]", ""}}, 
   {598.2424, 11.630831, "Meta"} -> {{81748, 73137, 68613}, {"", ""}}, 
   {735.4978, 11.632807, "Meta"} -> {{115476, 105291, 121192}, 
     {"Dipalmitoylphosphatidylserine [ C38 H74 N O10 P, db=54.29, \
overall=27.15, HMP ID=HMDB00614, KEGG ID= ]", ""}}, 
   {370.3555, 11.634998, "Meta"} -> {{35281, 52679, 49514}, {"", ""}}, 
   {468.2595, 11.6322565, "Meta"} -> {{47078, 45913, 1}, {"", ""}}, 
   {740.4531, 11.631467, "Meta"} -> {{142404, 138693, 136274}, {"", ""}}, 
   {477.1897, 11.660638, "Meta"} -> {{121774, 119549, 116217}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=85.23, overall=42.62, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {582.2477, 11.661, "Meta"} -> 
    {{93309, 64779, 60660}, {"Biliverdin IX [ C33 H34 N4 O6, db=87.31, \
overall=43.66, HMP ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", 
      " 114-25-0"}}, {354.2379, 11.661621, "Meta"} -> 
    {{1, 27900, 26681}, {"13,14-dihydro-15-keto-PGF2alpha [ C20 H34 O5, \
db=42.26, overall=21.13, Lipid ID=LMFA03010027, KEGG ID= ]", ""}}, 
   {520.2644, 11.689971, "Meta"} -> {{52805, 45578, 40481}, 
     {"Medroxyprogesterone glucuronide [ C28 H40 O9, db=48.42, overall=24.21, \
KEGG ID=, CAS ID= ]", ""}}, {485.356, 11.693, "Meta"} -> 
    {{137346, 139044, 134353}, {"", ""}}, {240.1703, 11.670438, "Meta"} -> 
    {{104381, 88184, 83697}, {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic \
acid [ C14 H24 O3, db=65.39, overall=32.69, Lipid ID=, KEGG ID= ]", ""}}, 
   {439.2696, 11.698639, "Meta"} -> {{23726, 1, 23294}, 
     {"GPA(17:1(9Z)/0:0) [ C20 H42 N O7 P, db=58.14, overall=29.07, Lipid \
ID=LMGP10050002, KEGG ID= ]", ""}}, {414.2039, 11.722752, "Meta"} -> 
    {{78349, 63382, 51514}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=70.02, overall=35.01 ]", ""}}, 
   {522.2801, 11.738907, "Meta"} -> {{63824, 51373, 53545}, {"", ""}}, 
   {262.1541, 11.742794, "Meta"} -> {{53379, 49382, 47789}, {"", ""}}, 
   {272.2133, 11.744, "Meta"} -> {{54151, 53127, 57542}, {"", ""}}, 
   {588.2251, 11.747442, "Meta"} -> {{27992, 38117, 34401}, {"", ""}}, 
   {528.1907, 11.747131, "Meta"} -> {{19186, 22381, 21539}, {"", ""}}, 
   {371.3033, 11.768027, "Meta"} -> {{76933, 60201, 151410}, {"", ""}}, 
   {590.3101, 11.752577, "Meta"} -> {{669803, 230987, 640622}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=61.46, overall=30.73, HMP \
ID=HMDB04158, KEGG ID= ]", ""}}, {417.1435, 11.795814, "Meta"} -> 
    {{22373, 19859, 15376}, {"Mefenamic acid Metabolite (b-D-Glucopyranuronic \
acid, 1-[2-[(2,3-dimethylphenyl)amino]benzoate]) [ C21 H23 N O8, db=50.07, \
overall=25.03, KEGG ID=, CAS ID=102623-18-7 ]", "102623-18-7"}}, 
   {282.1151, 11.797542, "Meta"} -> {{86298, 65854, 54057}, {"", ""}}, 
   {342.145, 11.797485, "Meta"} -> {{60748, 56199, 52843}, {"", ""}}, 
   {184.146, 11.798257, "Meta"} -> {{226395, 198687, 193828}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=82.08, overall=41.04, Lipid ID=, \
KEGG ID= ]", ""}}, {373.2647, 11.811193, "Meta"} -> 
    {{74606, 76068, 90032}, {"", ""}}, {299.2823, 11.815419, "Meta"} -> 
    {{1, 15506, 90196}, {"3-Dehydrosphinganine [ C18 H37 N O2, db=94.66, \
overall=47.33, KEGG ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {251.2249, 11.800002, "Meta"} -> {{101626, 94985, 96807}, {"", ""}}, 
   {534.3375, 11.806134, "Meta"} -> {{140309, 136377, 134034}, {"", ""}}, 
   {465.3086, 11.805584, "Meta"} -> {{1811567, 1591997, 1590387}, 
     {"Cholylglycine [ C26 H43 N O6, db=97.59, overall=48.80, KEGG ID=, CAS \
ID=475-31-0 ]", "475-31-0"}}, {429.2878, 11.80568, "Meta"} -> 
    {{52020, 40965, 37511}, {"", ""}}, {529.3823, 11.806334, "Meta"} -> 
    {{109750, 107893, 120747}, {"", ""}}, {518.2228, 11.805154, "Meta"} -> 
    {{56690, 37837, 34859}, {"26,26,26,27,27,27-hexafluoro-1alpha,25-dihydrox\
y-16,17,23,23,24,24-hexadehydrovitamin D3 / 26,26,26, [ C27 H32 F6 O3, \
db=61.57, overall=30.78, Lipid ID=LMST03020078, KEGG ID= ]", ""}}, 
   {585.3523, 11.805889, "Meta"} -> {{41702, 39812, 40718}, {"", ""}}, 
   {521.2284, 11.805668, "Meta"} -> {{54627, 39836, 33067}, {"", ""}}, 
   {414.204, 11.809854, "Meta"} -> {{100258, 64622, 45898}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=78.79, overall=39.40 ]", ""}}, 
   {431.2309, 11.812069, "Meta"} -> {{1, 1, 1}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=56.36, overall=28.18 ]", ""}}, 
   {218.1664, 11.82626, "Meta"} -> {{21374, 26029, 22269}, 
     {"6,8,10,12-pentadecatetraenal [ C15 H22 O, db=57.54, overall=28.77, \
Lipid ID=, KEGG ID= ]", ""}}, {270.1153, 11.829969, "Meta"} -> 
    {{57653, 43946, 49854}, {"chloroprocaine [ C13 H19 Cl N2 O2, db=55.52, \
overall=27.76, KEGG ID=, CAS ID= ]", ""}}, {330.1401, 11.829573, "Meta"} -> 
    {{75109, 58117, 55482}, {"Desmethyl methotrimeprazine 5-sulfoxide [ C18 \
H22 N2 O2 S, db=85.40, overall=42.70, KEGG ID=, CAS ID=16808-77-8 ]", 
      "16808-77-8"}}, {172.146, 11.8296385, "Meta"} -> 
    {{162006, 128092, 123089}, {"3-methyl-nonanoic acid [ C10 H20 O2, \
db=89.90, overall=44.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {186.1616, 11.829715, "Meta"} -> {{69909, 64575, 63556}, 
     {"Undecylic acid [ C11 H22 O2, db=83.39, overall=41.70, KEGG ID=, CAS \
ID= ]", ""}}, {431.3031, 11.831061, "Meta"} -> {{67854, 59135, 63435}, 
     {"", ""}}, {471.2956, 11.832395, "Meta"} -> {{53631, 1, 43087}, 
     {"", ""}}, {308.1988, 11.834726, "Meta"} -> {{44379, 18485, 28989}, 
     {"", ""}}, {355.2544, 11.8503895, "Meta"} -> {{295866, 292409, 352717}, 
     {"", ""}}, {346.1188, 11.835636, "Meta"} -> {{37229, 31579, 25607}, 
     {"Nifedipine [ C17 H18 N2 O6, db=50.63, overall=25.31, KEGG ID=C07266, \
CAS ID=21829-25-4 ]", "21829-25-4"}}, {276.1724, 11.846942, "Meta"} -> 
    {{140892, 77746, 75587}, {"cyclandelate [ C17 H24 O3, db=63.51, \
overall=31.75, KEGG ID=, CAS ID=456-59-7 ]", "456-59-7"}}, 
   {369.197, 11.842227, "Meta"} -> {{52502, 42016, 42010}, {"", ""}}, 
   {588.2903, 11.855272, "Meta"} -> {{29127, 19632, 27646}, {"", ""}}, 
   {330.1805, 11.858284, "Meta"} -> {{233402, 129787, 148734}, 
     {"16-Hydroxy-4-oxoretinoic acid [ C20 H26 O4, db=78.37, overall=39.19, \
KEGG ID=, CAS ID=107257-23-8 ]", "107257-23-8"}}, 
   {252.1358, 11.86086, "Meta"} -> {{37167, 21245, 31116}, {"", ""}}, 
   {290.1884, 11.862444, "Meta"} -> {{111954, 79547, 81987}, 
     {"8-hydroxy-17-octadecene-9,11-diynoic acid [ C18 H26 O3, db=62.31, \
overall=31.16, Lipid ID=, KEGG ID= ]", ""}}, {351.2187, 11.864862, "Meta"} -> 
    {{162559, 251914, 1}, {"", ""}}, {592.3258, 11.793964, "Meta"} -> 
    {{1, 403003, 1}, {"", ""}}, {309.2302, 11.861514, "Meta"} -> 
    {{152469, 453795, 235240}, {"", ""}}, {447.2981, 11.879917, "Meta"} -> 
    {{1140287, 941814, 1063998}, {"", ""}}, {511.3273, 11.884157, "Meta"} -> 
    {{80752, 47911, 1}, {"", ""}}, {280.1649, 11.8923235, "Meta"} -> 
    {{82688, 77085, 39520}, {"", ""}}, {705.4871, 11.893938, "Meta"} -> 
    {{119881, 117574, 133187}, {"", ""}}, {291.2176, 11.896868, "Meta"} -> 
    {{274129, 315525, 233469}, {"Penbutolol [ C18 H29 N O2, db=57.95, \
overall=28.98, KEGG ID=C07416, CAS ID=38363-40-5 ]", "38363-40-5"}}, 
   {688.4606, 11.89371, "Meta"} -> {{255806, 216395, 217789}, {"", ""}}, 
   {267.2197, 11.913969, "Meta"} -> {{668035, 531551, 624268}, {"", ""}}, 
   {394.2926, 11.915362, "Meta"} -> {{245394, 220574, 219802}, {"", ""}}, 
   {251.2248, 11.917944, "Meta"} -> {{273396, 243559, 218909}, {"", ""}}, 
   {411.3194, 11.915528, "Meta"} -> {{114833, 119129, 121825}, {"", ""}}, 
   {256.219, 11.924389, "Meta"} -> {{86112, 84096, 72020}, {"", ""}}, 
   {610.2709, 11.924807, "Meta"} -> {{40422, 27689, 25878}, {"", ""}}, 
   {534.281, 11.92525, "Meta"} -> {{85858, 84514, 89279}, {"", ""}}, 
   {451.3145, 11.934751, "Meta"} -> {{28536, 26775, 28314}, {"", ""}}, 
   {224.1408, 11.931854, "Meta"} -> {{49142, 44323, 47248}, 
     {"Methyl jasmonate [ C13 H20 O3, db=49.28, overall=24.64, KEGG \
ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {456.2698, 11.934423, "Meta"} -> {{49464, 73365, 58856}, {"", ""}}, 
   {572.3308, 11.924665, "Meta"} -> {{16662, 16632, 20811}, {"", ""}}, 
   {428.2149, 11.942999, "Meta"} -> {{40893, 31854, 21423}, {"", ""}}, 
   {315.2772, 11.940305, "Meta"} -> {{737118, 1618779, 1599421}, {"", ""}}, 
   {413.2462, 11.94091, "Meta"} -> {{93852, 71886, 1}, {"", ""}}, 
   {297.2667, 11.941416, "Meta"} -> {{121052, 112320, 121599}, 
     {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ C18 H35 N O2, db=86.94, \
overall=43.47, KEGG ID=, CAS ID= ]", ""}}, {341.2728, 11.941767, "Meta"} -> 
    {{30953, 25870, 26016}, {"", ""}}, {314.0917, 11.9444475, "Meta"} -> 
    {{227087, 239612, 64360}, {"", ""}}, {261.1217, 11.955101, "Meta"} -> 
    {{69754, 89983, 65121}, {"", ""}}, {379.2542, 11.973425, "Meta"} -> 
    {{30962, 32253, 35689}, {"", ""}}, {594.3415, 11.96689, "Meta"} -> 
    {{808393, 754231, 741385}, {"L-Urobilin [ C33 H46 N4 O6, db=74.87, \
overall=37.44, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {255.2196, 11.968827, "Meta"} -> {{1, 44336, 1}, {"", ""}}, 
   {414.2043, 11.974148, "Meta"} -> {{67689, 37539, 1}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=62.51, overall=31.26 ]", ""}}, 
   {312.2301, 11.973156, "Meta"} -> {{226434, 196124, 172264}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=65.73, \
overall=32.86, Lipid ID=, KEGG ID= ]", ""}}, {328.2254, 11.979709, "Meta"} -> 
    {{65004, 58756, 1}, {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 \
H32 O5, db=55.40, overall=27.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {196.1461, 11.97807, "Meta"} -> {{51807, 1, 40374}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=60.16, overall=30.08, Lipid ID=, \
KEGG ID= ]", ""}}, {754.4684, 11.973702, "Meta"} -> 
    {{175495, 172093, 154071}, {"", ""}}, {749.5135, 11.97703, "Meta"} -> 
    {{123793, 117395, 133550}, {"", ""}}, {324.1915, 11.994925, "Meta"} -> 
    {{26110, 30668, 24986}, {"12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrien\
oic acid [ C18 H28 O5, db=57.41, overall=28.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {309.23, 11.97869, "Meta"} -> {{442629, 1, 116270}, {"", ""}}, 
   {301.1142, 11.992531, "Meta"} -> {{61763, 1, 130923}, {"", ""}}, 
   {331.2543, 12.023166, "Meta"} -> {{341274, 283763, 617717}, {"", ""}}, 
   {455.3454, 12.01464, "Meta"} -> {{169099, 165011, 170405}, {"", ""}}, 
   {438.3189, 12.015082, "Meta"} -> {{290681, 72421, 273348}, {"", ""}}, 
   {358.2328, 12.025667, "Meta"} -> {{899701, 1, 83466}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=96.96, overall=48.48 ]", ""}}, 
   {311.152, 12.032904, "Meta"} -> {{71469, 1, 1}, {"", ""}}, 
   {353.2775, 12.026425, "Meta"} -> {{739437, 4867076, 75514}, {"", ""}}, 
   {385.3189, 12.040938, "Meta"} -> {{41134, 37770, 75267}, {"", ""}}, 
   {397.3187, 12.041324, "Meta"} -> {{80275, 43588, 163631}, {"", ""}}, 
   {798.4948, 12.054034, "Meta"} -> {{152270, 139870, 129299}, {"", ""}}, 
   {793.5397, 12.054131, "Meta"} -> {{111934, 110529, 111217}, {"", ""}}, 
   {590.3062, 12.072692, "Meta"} -> {{23174, 22652, 21409}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=57.10, overall=28.55, HMP \
ID=HMDB04158, KEGG ID= ]", ""}}, {326.0038, 12.075236, "Meta"} -> 
    {{102925, 84577, 154788}, {"", ""}}, {236.1403, 12.083773, "Meta"} -> 
    {{72927, 54410, 39788}, {"", ""}}, {252.1866, 12.082345, "Meta"} -> 
    {{59612, 1, 53540}, {"", ""}}, {586.209, 12.083833, "Meta"} -> 
    {{69888, 169320, 167426}, {"", ""}}, {350.155, 12.082278, "Meta"} -> 
    {{99773, 84633, 83732}, {"", ""}}, {526.1727, 12.085113, "Meta"} -> 
    {{148195, 156055, 160707}, {"", ""}}, {466.1347, 12.082086, "Meta"} -> 
    {{183305, 139342, 134628}, {"", ""}}, {270.1981, 12.084306, "Meta"} -> 
    {{401920, 328701, 317570}, {"", ""}}, {412.1294, 12.085416, "Meta"} -> 
    {{141394, 115133, 123148}, {"", ""}}, {368.1654, 12.082582, "Meta"} -> 
    {{124621, 119238, 114127}, {"Testosterone sulfate [ C19 H28 O5 S, \
db=92.27, overall=46.13, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {498.1664, 12.083362, "Meta"} -> {{60998, 43626, 45967}, {"", ""}}, 
   {616.2339, 12.084806, "Meta"} -> {{72453, 87661, 76158}, {"", ""}}, 
   {243.2196, 12.102666, "Meta"} -> {{57951, 41956, 70635}, 
     {"2-amino-tetradecanoic acid [ C14 H29 N O2, db=84.12, overall=42.06, \
Lipid ID=, KEGG ID= ]", ""}}, {482.3452, 12.104295, "Meta"} -> 
    {{82699, 78044, 307791}, {"", ""}}, {234.1617, 12.111666, "Meta"} -> 
    {{67266, 60328, 72833}, {"", ""}}, {248.1769, 12.122094, "Meta"} -> 
    {{103387, 87352, 86118}, {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 \
O2, db=79.54, overall=39.77, Lipid ID=, KEGG ID= ]", ""}}, 
   {291.2195, 12.120156, "Meta"} -> {{101634, 83056, 95718}, 
     {"Penbutolol [ C18 H29 N O2, db=68.40, overall=34.20, KEGG ID=C07416, \
CAS ID=38363-40-5 ]", "38363-40-5"}}, {837.5658, 12.128968, "Meta"} -> 
    {{99572, 100502, 137229}, {"", ""}}, {342.1837, 12.136654, "Meta"} -> 
    {{27377, 17476, 17012}, {"Acitretin Ro 23-4750 [ C21 H26 O4, db=77.85, \
overall=38.93, KEGG ID=, CAS ID=121785-73-7 ]", "121785-73-7"}}, 
   {264.1359, 12.146778, "Meta"} -> {{541046, 467737, 469337}, {"", ""}}, 
   {222.1252, 12.146971, "Meta"} -> {{66558, 64817, 60940}, 
     {"Hydroxyibuprofen [ C13 H18 O3, db=74.22, overall=37.11, KEGG ID=, CAS \
ID=51146-55-5 ]", "51146-55-5"}}, {296.1624, 12.147417, "Meta"} -> 
    {{87940, 82858, 97297}, {"Lactone of PGF-MUM [ C16 H24 O5, db=79.76, \
overall=39.88, KEGG ID=, CAS ID= ]", ""}}, {282.1466, 12.147778, "Meta"} -> 
    {{831389, 720014, 728427}, {"Artemisinin [ C15 H22 O5, db=99.12, \
overall=49.56, KEGG ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {341.2723, 12.151607, "Meta"} -> {{1, 23251, 20429}, {"", ""}}, 
   {380.1164, 12.147638, "Meta"} -> {{39897, 34954, 37385}, 
     {"Cys Gln Met [ C13 H24 N4 O5 S2, db=68.35, overall=34.18 ]", ""}}, 
   {306.1804, 12.177001, "Meta"} -> {{47675, 60732, 56211}, 
     {"Tetranor Iloprost [ C18 H26 O4, db=63.70, overall=31.85, KEGG ID=, CAS \
ID=93220-69-0 ]", "93220-69-0"}}, {402.1937, 12.148144, "Meta"} -> 
    {{46910, 52562, 48772}, 
     {"Pro Trp Thr [ C20 H26 N4 O5, db=72.34, overall=36.17 ]", ""}}, 
   {297.2667, 12.156, "Meta"} -> {{68438, 72299, 1}, 
     {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ C18 H35 N O2, db=77.59, \
overall=38.79, KEGG ID=, CAS ID= ]", ""}}, {315.2772, 12.155445, "Meta"} -> 
    {{1241258, 1179039, 1141050}, {"", ""}}, {413.2455, 12.157277, "Meta"} -> 
    {{56570, 69074, 54231}, {"", ""}}, {313.2615, 12.160829, "Meta"} -> 
    {{97820, 235031, 89269}, {"", ""}}, {311.1518, 12.180069, "Meta"} -> 
    {{38405, 37098, 44082}, {"", ""}}, {299.9847, 12.185141, "Meta"} -> 
    {{1516225, 1352819, 2822414}, {"", ""}}, 
   {318.1804, 12.2324295, "Meta"} -> {{26088, 47919, 53319}, 
     {"Ubiquinone (Q2) [ C19 H26 O4, db=42.47, overall=21.23, KEGG ID=, CAS \
ID=606-06-4 ]", "606-06-4"}}, {606.2023, 12.187666, "Meta"} -> 
    {{182810, 185252, 176774}, {"", ""}}, {462.2252, 12.1875, "Meta"} -> 
    {{781170, 753694, 766148}, {"Hydrocortisone succinate [ C25 H34 O8, \
db=96.63, overall=48.31, Lipid ID=LMST02030126, KEGG ID=C12888 ]", ""}}, 
   {525.2572, 12.187778, "Meta"} -> {{409344, 357559, 368014}, {"", ""}}, 
   {568.2631, 12.187808, "Meta"} -> {{85726, 98250, 98906}, {"", ""}}, 
   {621.1704, 12.188378, "Meta"} -> {{71773, 50007, 40414}, {"", ""}}, 
   {530.2126, 12.187939, "Meta"} -> {{953758, 818862, 758518}, 
     {"Trp Tyr Tyr [ C29 H30 N4 O6, db=72.13, overall=36.06 ]", ""}}, 
   {377.2329, 12.190221, "Meta"} -> {{252831, 182533, 254786}, 
     {"Val Leu Phe [ C20 H31 N3 O4, db=88.80, overall=44.40 ]", ""}}, 
   {628.2743, 12.1870985, "Meta"} -> {{35625, 45497, 46038}, {"", ""}}, 
   {420.2121, 12.200396, "Meta"} -> {{34599, 32962, 30443}, {"", ""}}, 
   {228.1723, 12.197486, "Meta"} -> {{96579, 97623, 91077}, 
     {"10-keto tridecanoic acid [ C13 H24 O3, db=61.20, overall=30.60, Lipid \
ID=LMFA01060042, KEGG ID= ]", ""}}, {372.191, 12.199401, "Meta"} -> 
    {{45627, 39214, 38549}, {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=56.89, \
overall=28.44, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {357.2698, 12.228862, "Meta"} -> {{509479, 464242, 892578}, {"", ""}}, 
   {199.1932, 12.220861, "Meta"} -> {{220307, 313574, 355739}, 
     {"dodecanamide [ C12 H25 N O, db=98.45, overall=49.22, Lipid ID=, KEGG \
ID= ]", ""}}, {259.2255, 12.222748, "Meta"} -> {{59469, 86227, 92118}, 
     {"", ""}}, {269.235, 12.2237425, "Meta"} -> {{73338, 119548, 66161}, 
     {"", ""}}, {719.5028, 12.228621, "Meta"} -> {{94224, 91944, 92048}, 
     {"", ""}}, {664.2384, 12.227905, "Meta"} -> {{50374, 82561, 100217}, 
     {"", ""}}, {248.1768, 12.233333, "Meta"} -> 
    {{1, 1, 1}, {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=72.21, \
overall=36.10, Lipid ID=, KEGG ID= ]", ""}}, {284.1987, 12.237692, "Meta"} -> 
    {{152660, 1, 156793}, {"", ""}}, {262.1929, 12.242998, "Meta"} -> 
    {{290896, 238750, 231646}, {"5,8-heptadecadiynoic acid [ C17 H26 O2, \
db=98.55, overall=49.28, Lipid ID=, KEGG ID= ]", ""}}, 
   {533.3115, 12.239881, "Meta"} -> {{61068, 27372, 51830}, {"", ""}}, 
   {302.1855, 12.243556, "Meta"} -> {{271231, 215857, 199871}, 
     {"2-Methoxyestradiol [ C19 H26 O3, db=76.71, overall=38.36, HMP \
ID=HMDB00405, KEGG ID= ]", ""}}, {436.1856, 12.235857, "Meta"} -> 
    {{64545, 1, 31897}, {"", ""}}, {596.3558, 12.249497, "Meta"} -> 
    {{24504, 22125, 20578}, {"", ""}}, {242.188, 12.252134, "Meta"} -> 
    {{144003, 144339, 136025}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 \
O3, db=63.43, overall=31.71, Lipid ID=, KEGG ID= ]", ""}}, 
   {614.3666, 12.251577, "Meta"} -> {{43136, 39798, 40344}, {"", ""}}, 
   {512.1788, 12.245139, "Meta"} -> {{40260, 30327, 29649}, 
     {"10S,11R-epoxy-punaglandin 3 [ C25 H33 Cl O9, db=53.22, overall=26.61, \
Lipid ID=LMFA03120039, KEGG ID= ]", ""}}, {376.1882, 12.266801, "Meta"} -> 
    {{134024, 190197, 131162}, 
     {"Arg Val Cys [ C14 H28 N6 O4 S, db=75.82, overall=37.91 ]", ""}}, 
   {580.2321, 12.270332, "Meta"} -> {{213393, 217787, 242245}, {"", ""}}, 
   {630.2687, 12.26936, "Meta"} -> {{161213, 135157, 167557}, {"", ""}}, 
   {612.2583, 12.2699175, "Meta"} -> {{150064, 130061, 133677}, {"", ""}}, 
   {672.2793, 12.270498, "Meta"} -> {{113594, 97562, 104718}, {"", ""}}, 
   {658.2637, 12.2717495, "Meta"} -> {{47524, 42969, 42934}, {"", ""}}, 
   {644.2843, 12.27025, "Meta"} -> {{316924, 289561, 309082}, {"", ""}}, 
   {298.2154, 12.269302, "Meta"} -> {{1, 40400, 37924}, 
     {"8E-Heptadecenedioic acid [ C17 H30 O4, db=61.18, overall=30.59, Lipid \
ID=, KEGG ID= ]", ""}}, {336.1262, 12.278805, "Meta"} -> 
    {{44817, 33932, 34888}, {"", ""}}, {238.1567, 12.281195, "Meta"} -> 
    {{679032, 557658, 544463}, {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 \
H22 O3, db=97.15, overall=48.57, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {423.3348, 12.288555, "Meta"} -> {{225134, 198623, 670909}, {"", ""}}, 
   {311.2457, 12.286498, "Meta"} -> {{475475, 383334, 402151}, {"", ""}}, 
   {374.2429, 12.298686, "Meta"} -> {{70719, 1, 63553}, 
     {"Digitoxigenin [ C23 H34 O4, db=53.68, overall=26.84, KEGG ID=, CAS \
ID=143-62-4 ]", "143-62-4"}}, {477.1899, 12.302515, "Meta"} -> 
    {{51551, 49255, 15931}, {"3,5-Pyridinedicarboxylic acid, \
2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino] [ C26 \
H27 N3 O6, db=59.31, overall=29.66, KEGG ID=, CAS ID=59875-58-0 ]", 
      "59875-58-0"}}, {768.4842, 12.295834, "Meta"} -> 
    {{146731, 136021, 1}, {"", ""}}, {369.2874, 12.299877, "Meta"} -> 
    {{47507, 1, 47441}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, \
db=64.19, overall=32.09, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {763.5288, 12.296454, "Meta"} -> {{112567, 92204, 103475}, {"", ""}}, 
   {314.1884, 12.299144, "Meta"} -> {{105233, 68821, 94415}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=70.86, overall=35.43, KEGG ID=, \
CAS ID=38030-57-8 ]", "38030-57-8"}}, {271.2523, 12.302779, "Meta"} -> 
    {{121217, 129544, 117009}, {"2R-aminohexadecanoic acid [ C16 H33 N O2, \
db=52.07, overall=26.04, Lipid ID=, KEGG ID= ]", ""}}, 
   {625.346, 12.299999, "Meta"} -> {{300027, 279953, 287896}, 
     {"Glycochenodeoxycholic acid 3-glucuronide [ C32 H51 N O11, db=99.35, \
overall=49.68, HMP ID=HMDB02579, KEGG ID= ]", ""}}, 
   {342.1463, 12.310115, "Meta"} -> {{1, 1, 49779}, {"", ""}}, 
   {663.2926, 12.299033, "Meta"} -> {{33717, 28819, 30477}, {"", ""}}, 
   {372.2661, 12.3107815, "Meta"} -> {{73151, 1, 1}, 
     {"(22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid [ C24 H36 O3, db=66.95, \
overall=33.48, Lipid ID=, KEGG ID= ]", ""}}, {329.2566, 12.319615, "Meta"} -> 
    {{58000, 43891, 40239}, {"", ""}}, {265.2404, 12.332487, "Meta"} -> 
    {{83082, 64541, 62442}, {"", ""}}, {305.2328, 12.322701, "Meta"} -> 
    {{47593, 58842, 41543}, {"", ""}}, {230.1879, 12.337853, "Meta"} -> 
    {{104236, 89091, 118198}, {"4-hydroxy-tridecanoic acid [ C13 H26 O3, \
db=63.86, overall=31.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {631.4503, 12.339085, "Meta"} -> {{131351, 1, 1}, {"", ""}}, 
   {312.1359, 12.347117, "Meta"} -> {{1, 1, 94621}, {"", ""}}, 
   {388.2607, 12.350721, "Meta"} -> {{47225, 40755, 41563}, 
     {"7,12-Dioxo-5beta-cholan-24-oic Acid [ C24 H36 O4, db=77.22, \
overall=38.61, Lipid ID=, KEGG ID= ]", ""}}, {328.2249, 12.339256, "Meta"} -> 
    {{113108, 189631, 86285}, {"9,12,13-trihydroxy-10,15-octadecadienoic acid \
[ C18 H32 O5, db=76.40, overall=38.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {425.3361, 12.35692, "Meta"} -> {{91767, 1, 84888}, {"", ""}}, 
   {408.3088, 12.36271, "Meta"} -> {{146901, 121329, 124683}, {"", ""}}, 
   {281.2354, 12.3655615, "Meta"} -> {{185172, 119755, 175019}, {"", ""}}, 
   {360.1656, 12.382274, "Meta"} -> {{1, 34886, 49923}, 
     {"Leu Asn Asp [ C14 H24 N4 O7, db=77.19, overall=38.60 ]", ""}}, 
   {338.2439, 12.380382, "Meta"} -> {{119004, 106884, 112509}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=74.85, overall=37.42, KEGG ID=, \
CAS ID= ]", ""}}, {436.1472, 12.383839, "Meta"} -> 
    {{28545, 30790, 39725}, {"", ""}}, {376.1198, 12.386286, "Meta"} -> 
    {{36780, 34072, 46073}, 
     {"Asp Asn Glu [ C13 H20 N4 O9, db=55.52, overall=27.76 ]", ""}}, 
   {278.1519, 12.387778, "Meta"} -> {{2366260, 2323995, 3058059}, {"", ""}}, 
   {148.0158, 12.3895, "Meta"} -> {{252679, 256197, 372942}, {"", ""}}, 
   {204.0784, 12.3909445, "Meta"} -> {{146621, 151424, 211714}, {"", ""}}, 
   {396.2873, 12.403235, "Meta"} -> {{25358, 163209, 153353}, 
     {"PGF2alpha isopropyl ester [ C23 H40 O5, db=87.08, overall=43.54, Lipid \
ID=LMFA03010076, KEGG ID= ]", ""}}, {276.17, 12.37928, "Meta"} -> 
    {{22847, 30135, 1}, {"cyclandelate [ C17 H24 O3, db=51.06, overall=25.53, \
KEGG ID=, CAS ID=456-59-7 ]", "456-59-7"}}, {607.326, 12.407581, "Meta"} -> 
    {{26415, 69639, 65342}, {"", ""}}, {675.4764, 12.4054, "Meta"} -> 
    {{119683, 107470, 105786}, {"", ""}}, {487.2618, 12.410424, "Meta"} -> 
    {{203898, 158905, 124371}, {"", ""}}, {562.256, 12.410714, "Meta"} -> 
    {{74518, 60217, 57928}, {"Protoporphyrin [ C34 H34 N4 O4, db=79.79, \
overall=39.90, KEGG ID=C01079, CAS ID=553-12-8 ]", "553-12-8"}}, 
   {547.2891, 12.410121, "Meta"} -> {{153006, 148432, 147551}, {"", ""}}, 
   {449.3139, 12.410828, "Meta"} -> {{5112567, 3371347, 4433084}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=99.45, overall=49.73, HMP \
ID=HMDB00708, KEGG ID= ]", ""}}, {505.2336, 12.410571, "Meta"} -> 
    {{93572, 46178, 53809}, {"", ""}}, {431.3035, 12.411553, "Meta"} -> 
    {{1847368, 1664726, 1661856}, {"", ""}}, {413.2934, 12.41158, "Meta"} -> 
    {{673835, 584191, 597071}, {"", ""}}, {491.3008, 12.412041, "Meta"} -> 
    {{52436, 1, 44768}, {"", ""}}, {1312.7719, 12.4140005, "Meta"} -> 
    {{48499, 36100, 43472}, {"", ""}}, {851.5811, 12.417131, "Meta"} -> 
    {{99634, 94553, 107043}, {"C20-OHSulfatide [ C44 H85 N O12 S, db=89.76, \
overall=44.88, Lipid ID=LMSP06020005, KEGG ID= ]", ""}}, 
   {467.301, 12.424151, "Meta"} -> {{344107, 189374, 533686}, 
     {"Myristoyl L-a-lysophosphatidylcholine [ C22 H46 N O7 P, db=96.32, \
overall=48.16, KEGG ID=, CAS ID=20559-16-4 ]", "20559-16-4"}}, 
   {469.361, 12.42775, "Meta"} -> {{177575, 164687, 171420}, {"", ""}}, 
   {452.3344, 12.426857, "Meta"} -> {{360390, 292817, 343543}, {"", ""}}, 
   {505.2485, 12.426792, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {863.4587, 12.424135, "Meta"} -> {{37136, 32911, 35192}, {"", ""}}, 
   {614.2372, 12.435374, "Meta"} -> {{56855, 49075, 23848}, {"", ""}}, 
   {324.0821, 12.4366255, "Meta"} -> {{225179, 223687, 116711}, {"", ""}}, 
   {274.2141, 12.443, "Meta"} -> {{135472, 59767, 276140}, 
     {"2,15-dihydroxy-pentadecylic acid [ C15 H30 O4, db=98.78, \
overall=49.39, Lipid ID=LMFA01050082, KEGG ID= ]", ""}}, 
   {256.2038, 12.44312, "Meta"} -> {{1, 1, 24573}, {"11-keto pentadecanoic \
acid [ C15 H28 O3, db=62.07, overall=31.03, Lipid ID=LMFA01060048, KEGG ID= \
]", ""}}, {352.171, 12.430658, "Meta"} -> {{38534, 43124, 37533}, {"", ""}}, 
   {370.1815, 12.436501, "Meta"} -> {{78706, 66248, 80363}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=68.09, \
overall=34.04, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {500.1792, 12.433194, "Meta"} -> {{46272, 33344, 29272}, 
     {"gamma-Hydroxyphenylbutazone glucuronide [ C25 H28 N2 O9, db=72.50, \
overall=36.25, KEGG ID=, CAS ID= ]", ""}}, {588.225, 12.436315, "Meta"} -> 
    {{59695, 76561, 67382}, {"", ""}}, {504.2695, 12.450472, "Meta"} -> 
    {{38000, 35665, 31999}, {"", ""}}, {528.189, 12.4353895, "Meta"} -> 
    {{60400, 61157, 58662}, {"", ""}}, {414.1453, 12.441296, "Meta"} -> 
    {{1, 36326, 35787}, {"", ""}}, {270.2135, 12.456722, "Meta"} -> 
    {{439081, 440887, 297200}, {"", ""}}, {292.167, 12.460268, "Meta"} -> 
    {{225123, 145121, 142880}, {"", ""}}, {719.5026, 12.466721, "Meta"} -> 
    {{83321, 80078, 90610}, {"", ""}}, {399.3347, 12.47114, "Meta"} -> 
    {{165438, 143356, 1010965}, {"Palmitoylcarnitine [ C23 H45 N O4, \
db=99.77, overall=49.89, Lipid ID=LMFA07070004, KEGG ID=C02990 ]", ""}}, 
   {182.1666, 12.464886, "Meta"} -> {{39499, 30124, 33091}, 
     {"7E,9Z-dodecadien-1-ol [ C12 H22 O, db=80.52, overall=40.26, Lipid ID=, \
KEGG ID= ]", ""}}, {242.1878, 12.468251, "Meta"} -> 
    {{156689, 396380, 410296}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 \
O3, db=62.18, overall=31.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {895.6074, 12.470839, "Meta"} -> {{97304, 90628, 102108}, {"", ""}}, 
   {496.3607, 12.486807, "Meta"} -> {{267482, 274936, 289521}, {"", ""}}, 
   {513.3873, 12.487667, "Meta"} -> {{233533, 223862, 239181}, {"", ""}}, 
   {384.1933, 12.488749, "Meta"} -> {{66710, 1, 55337}, {"", ""}}, 
   {250.1204, 12.488947, "Meta"} -> {{32908, 18348, 26888}, 
     {"Ubiquinone [ C14 H18 O4, db=74.11, overall=37.06, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {409.3186, 12.504228, "Meta"} -> 
    {{52211, 42476, 36870}, {"", ""}}, {374.2808, 12.501667, "Meta"} -> 
    {{104440, 85939, 101401}, {"3beta-Hydroxychol-4-en-24-oic Acid [ C24 H38 \
O3, db=92.13, overall=46.07, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2756, 12.501445, "Meta"} -> {{171144, 123124, 139024}, {"", ""}}, 
   {356.2712, 12.505676, "Meta"} -> {{171443, 138804, 172513}, 
     {"4,8,12,15,19,21-tetracosahexaenoic acid [ C24 H36 O2, db=94.78, \
overall=47.39, Lipid ID=, KEGG ID= ]", ""}}, {546.153, 12.509251, "Meta"} -> 
    {{37152, 22856, 26991}, {"", ""}}, {331.2721, 12.510544, "Meta"} -> 
    {{30927, 26018, 21759}, {"", ""}}, {449.314, 12.51639, "Meta"} -> 
    {{7863865, 6785606, 6840058}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, \
db=99.24, overall=49.62, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {562.2545, 12.516361, "Meta"} -> {{107189, 1, 68201}, 
     {"Protoporphyrin [ C34 H34 N4 O4, db=70.11, overall=35.05, KEGG \
ID=C01079, CAS ID=553-12-8 ]", "553-12-8"}}, {505.2343, 12.514931, "Meta"} -> 
    {{84270, 88624, 69285}, {"", ""}}, {487.2613, 12.517092, "Meta"} -> 
    {{227749, 178425, 188900}, {"", ""}}, {942.5912, 12.517724, "Meta"} -> 
    {{156669, 147361, 174577}, {"", ""}}, {391.3102, 12.521373, "Meta"} -> 
    {{149273, 125584, 138509}, {"N,N-(2,2-dihydroxy-ethyl) arachidonoyl amine \
[ C24 H41 N O3, db=41.49, overall=20.74, Lipid ID=LMFA08020028, KEGG ID= ]", 
      ""}}, {768.484, 12.522172, "Meta"} -> {{72014, 64489, 65411}, 
     {"", ""}}, {547.2912, 12.518182, "Meta"} -> {{133661, 193030, 184352}, 
     {"", ""}}, {763.5285, 12.522705, "Meta"} -> {{66807, 61826, 65419}, 
     {"", ""}}, {612.2584, 12.528093, "Meta"} -> {{130474, 79869, 82006}, 
     {"", ""}}, {537.3427, 12.543621, "Meta"} -> {{65211, 25681, 1}, 
     {"GPEtn(10:0/11:0)[U] [ C26 H52 N O8 P, db=59.82, overall=29.91, Lipid \
ID=LMGP02010053, KEGG ID= ]", ""}}, {425.2543, 12.535178, "Meta"} -> 
    {{18360, 1, 21408}, {"GPEtn(14:0/0:0) [ C19 H40 N O7 P, db=66.09, \
overall=33.05, Lipid ID=LMGP02050003, KEGG ID= ]", ""}}, 
   {557.4136, 12.545144, "Meta"} -> {{282659, 275649, 266971}, {"", ""}}, 
   {355.2721, 12.554709, "Meta"} -> {{109490, 1, 1}, {"", ""}}, 
   {225.2089, 12.554222, "Meta"} -> {{193269, 148409, 136904}, {"", ""}}, 
   {650.3645, 12.549894, "Meta"} -> {{43979, 46003, 1}, 
     {"Digoxigenin bisdigitoxoside [ C35 H54 O11, db=73.18, overall=36.59, \
KEGG ID=, CAS ID=5297-05-2 ]", "5/2/97"}}, {580.2348, 12.5748005, "Meta"} -> 
    {{147593, 1, 88873}, {"", ""}}, {501.3662, 12.573688, "Meta"} -> 
    {{90059, 80786, 94277}, {"", ""}}, {434.2881, 12.585032, "Meta"} -> 
    {{2132157, 5385463, 356507}, {"(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-th\
iavitamin D3 3-oxide / (5Z)-(3S)-1alpha,25-dihydroxy-3-deo [ C26 H42 O3 S, \
db=73.08, overall=36.54, Lipid ID=LMST03020052, KEGG ID= ]", ""}}, 
   {467.3008, 12.5836935, "Meta"} -> {{2795573, 1434228, 6433509}, 
     {"Myristoyl L-a-lysophosphatidylcholine [ C22 H46 N O7 P, db=97.87, \
overall=48.94, KEGG ID=, CAS ID=20559-16-4 ]", "20559-16-4"}}, 
   {505.2486, 12.583806, "Meta"} -> {{170175, 90726, 359586}, {"", ""}}, 
   {565.2755, 12.582859, "Meta"} -> {{98690, 41976, 245563}, 
     {" [ C32 H39 N O8, overall=43.39, mfg=86.78 ]", ""}}, 
   {451.3146, 12.585577, "Meta"} -> {{1068452, 2767755, 205964}, {"", ""}}, 
   {279.2563, 12.585971, "Meta"} -> {{1000342, 957552, 1073805}, {"", ""}}, 
   {319.2485, 12.586908, "Meta"} -> {{1018664, 687226, 820472}, 
     {"N-hydroxy arachidonoyl amine [ C20 H33 N O2, db=80.38, overall=40.19, \
Lipid ID=LMFA08020029, KEGG ID= ]", ""}}, {625.3125, 12.582887, "Meta"} -> 
    {{1, 1, 40690}, {"", ""}}, {499.2697, 12.597638, "Meta"} -> 
    {{76815, 71559, 971021}, {"", ""}}, {584.4132, 12.599159, "Meta"} -> 
    {{426331, 73873, 72103}, {"", ""}}, {601.4399, 12.599721, "Meta"} -> 
    {{293995, 282860, 278735}, {"", ""}}, {246.2193, 12.616779, "Meta"} -> 
    {{85961, 90014, 91748}, {"", ""}}, {367.4175, 12.6358, "Meta"} -> 
    {{19426, 17806, 16745}, {"", ""}}, {579.2638, 12.629876, "Meta"} -> 
    {{1, 1, 195684}, {"", ""}}, {541.3169, 12.629602, "Meta"} -> 
    {{732197, 458120, 1}, {"", ""}}, {639.2913, 12.632768, "Meta"} -> 
    {{36274, 1, 46082}, 
     {" [ C33 H41 N3 O10, db=0.00, overall=27.22, mfg=54.45 ]", ""}}, 
   {425.3506, 12.640696, "Meta"} -> {{306028, 285158, 1739758}, {"", ""}}, 
   {185.1413, 12.638656, "Meta"} -> {{110769, 1, 96539}, 
     {"N-methyl-Gabapentin [ C10 H19 N O2, db=81.22, overall=40.61, KEGG ID=, \
CAS ID=102937-74-6 ]", "102937-74-6"}}, {285.2666, 12.643584, "Meta"} -> 
    {{27471, 1, 1}, {"C17 Sphingosine [ C17 H35 N O2, db=57.52, \
overall=28.76, Lipid ID=LMSP01040002, KEGG ID= ]", ""}}, 
   {327.277, 12.625759, "Meta"} -> {{1, 61738, 83667}, {"", ""}}, 
   {821.5705, 12.638498, "Meta"} -> {{79909, 80809, 84504}, {"", ""}}, 
   {268.24, 12.642863, "Meta"} -> {{100816, 98488, 80023}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=79.16, overall=39.58, Lipid \
ID=LMFA01030060, KEGG ID= ]", ""}}, {545.3922, 12.643999, "Meta"} -> 
    {{76674, 72583, 80008}, {"", ""}}, {302.1891, 12.6535015, "Meta"} -> 
    {{42336, 27039, 23328}, {"2-Methoxyestradiol [ C19 H26 O3, db=65.37, \
overall=32.69, HMP ID=HMDB00405, KEGG ID= ]", ""}}, 
   {650.4213, 12.651346, "Meta"} -> {{307167, 281111, 292095}, {"", ""}}, 
   {645.466, 12.651555, "Meta"} -> {{276807, 272127, 160252}, {"", ""}}, 
   {335.2434, 12.66379, "Meta"} -> {{720999, 646837, 651474}, {"", ""}}, 
   {256.2034, 12.661515, "Meta"} -> {{104367, 93213, 1}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=61.28, overall=30.64, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {493.3169, 12.66411, "Meta"} -> 
    {{543431, 234421, 856500}, {"", ""}}, {531.2641, 12.663871, "Meta"} -> 
    {{42500, 27727, 73726}, {"", ""}}, {590.3068, 12.671346, "Meta"} -> 
    {{32964, 25982, 1}, {"D-Urobilinogen [ C33 H42 N4 O6, db=52.07, \
overall=26.03, HMP ID=HMDB04158, KEGG ID= ]", ""}}, 
   {396.1935, 12.680503, "Meta"} -> {{45805, 40143, 57544}, 
     {"Pregnenolone sulfate [ C21 H32 O5 S, db=36.59, overall=18.29, HMP \
ID=HMDB00774, KEGG ID= ]", ""}}, {632.5102, 12.680666, "Meta"} -> 
    {{61261, 1, 1}, {"", ""}}, {865.5968, 12.684233, "Meta"} -> 
    {{88252, 90412, 87443}, {"", ""}}, {395.2349, 12.689027, "Meta"} -> 
    {{106502, 105757, 90461}, {"", ""}}, {379.2488, 12.687057, "Meta"} -> 
    {{872998, 868378, 1222147}, {"Sphingosine-1-phosphate [ C18 H38 N O5 P, \
db=99.36, overall=49.68, KEGG ID=, CAS ID=26993-30-6 ]", "26993-30-6"}}, 
   {319.2487, 12.687944, "Meta"} -> {{2507344, 2210171, 2245431}, 
     {"N-hydroxy arachidonoyl amine [ C20 H33 N O2, db=82.57, overall=41.29, \
Lipid ID=LMFA08020029, KEGG ID= ]", ""}}, {279.2564, 12.689749, "Meta"} -> 
    {{3334245, 3240187, 3165879}, {"", ""}}, {342.3243, 12.690058, "Meta"} -> 
    {{1, 82108, 101940}, {"", ""}}, {352.236, 12.696232, "Meta"} -> 
    {{180907, 199441, 1}, {"", ""}}, {180.0781, 12.695332, "Meta"} -> 
    {{73461, 67736, 74979}, {"o-Methoxyhydrocinnamic acid [ C10 H12 O3, \
db=82.64, overall=41.32, KEGG ID=, CAS ID= ]", ""}}, 
   {314.1855, 12.695227, "Meta"} -> {{560536, 441129, 475046}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=73.03, overall=36.52, KEGG ID=, \
CAS ID=38030-57-8 ]", "38030-57-8"}}, {309.2304, 12.69561, "Meta"} -> 
    {{814891, 641803, 723820}, {"", ""}}, {475.2699, 12.694333, "Meta"} -> 
    {{1, 100117, 171519}, {"", ""}}, {236.1406, 12.695944, "Meta"} -> 
    {{47454, 46712, 42881}, {"", ""}}, {689.4924, 12.699888, "Meta"} -> 
    {{237404, 231700, 240761}, {"", ""}}, {672.4659, 12.699749, "Meta"} -> 
    {{320845, 302708, 309770}, {"", ""}}, {609.351, 12.6962595, "Meta"} -> 
    {{82785, 83278, 65637}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl [ C32 H51 N O10, \
db=94.76, overall=47.38, HMP ID=HMDB02474, KEGG ID= ]", ""}}, 
   {382.2147, 12.704666, "Meta"} -> {{25912, 33839, 15084}, 
     {"3,12-Dioxochola-1,4,9(11)-trien-24-oic Acid [ C24 H30 O4, db=73.34, \
overall=36.67, Lipid ID=, KEGG ID= ]", ""}}, {589.4187, 12.706942, "Meta"} -> 
    {{44718, 47657, 68043}, {"", ""}}, {307.2718, 12.7117195, "Meta"} -> 
    {{19042, 22144, 21599}, {"", ""}}, {270.2192, 12.709618, "Meta"} -> 
    {{138934, 110395, 140039}, {"3-keto palmitic acid [ C16 H30 O3, db=85.03, \
overall=42.52, Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, 
   {537.217, 12.694345, "Meta"} -> {{22675, 1, 96944}, {"", ""}}, 
   {499.2698, 12.711946, "Meta"} -> {{286512, 194800, 424644}, {"", ""}}, 
   {300.2299, 12.716436, "Meta"} -> {{76192, 90625, 1}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=79.78, overall=39.89, \
Lipid ID=, KEGG ID= ]", ""}}, {630.4941, 12.715778, "Meta"} -> 
    {{75233, 130198, 45395}, {"", ""}}, {252.2085, 12.716553, "Meta"} -> 
    {{45130, 20880, 1}, {"2E,4E-hexadecadienoic acid [ C16 H28 O2, db=73.15, \
overall=36.57, Lipid ID=, KEGG ID= ]", ""}}, {914.5783, 12.727905, "Meta"} -> 
    {{1, 90184, 108271}, {"", ""}}, {280.2014, 12.73493, "Meta"} -> 
    {{67458, 61028, 59137}, 
     {"12S-HHTrE [ C17 H28 O3, db=42.31, overall=21.16, KEGG ID=, CAS ID= ]", 
      ""}}, {329.2928, 12.71444, "Meta"} -> {{1020974, 995353, 931160}, 
     {"", ""}}, {355.2179, 12.744277, "Meta"} -> {{91058, 93694, 87260}, 
     {"p-Hydroxypropoxyphene [ C22 H29 N O3, db=63.66, overall=31.83, KEGG \
ID=, CAS ID=43117-32-4 ]", "43117-32-4"}}, {240.2085, 12.740068, "Meta"} -> 
    {{66595, 65118, 47692}, {"2-pentadecenoic acid [ C15 H28 O2, db=72.07, \
overall=36.04, Lipid ID=, KEGG ID= ]", ""}}, {573.2378, 12.738915, "Meta"} -> 
    {{23806, 1, 22978}, {"", ""}}, {874.5164, 12.745845, "Meta"} -> 
    {{84012, 1, 97797}, {"Ivermectin B1a [ C48 H74 O14, db=21.59, \
overall=10.80, KEGG ID=C07970, CAS ID=71827-03-7 ]", "71827-03-7"}}, 
   {615.29, 12.742728, "Meta"} -> {{52261, 31830, 92098}, {"", ""}}, 
   {393.2191, 12.747176, "Meta"} -> {{146018, 160637, 106591}, {"", ""}}, 
   {733.5184, 12.745, "Meta"} -> {{211828, 215239, 200981}, {"", ""}}, 
   {716.4917, 12.745065, "Meta"} -> {{253586, 231522, 1}, {"", ""}}, 
   {517.3169, 12.746193, "Meta"} -> {{2230871, 1360106, 3757198}, 
     {"Linolenoyl lysolecithin [ C26 H48 N O7 P, db=99.00, overall=49.50, \
KEGG ID=, CAS ID=63163-01-9 ]", "63163-01-9"}}, 
   {555.2641, 12.744076, "Meta"} -> {{182145, 1, 242237}, 
     {"Leucine Enkephalin [ C28 H37 N5 O7, db=46.08, overall=23.04, KEGG ID=, \
CAS ID=81678-16-2 ]", "81678-16-2"}}, {1096.581, 12.747542, "Meta"} -> 
    {{108783, 39265, 183757}, {"", ""}}, {1058.6335, 12.748626, "Meta"} -> 
    {{50563, 20428, 376517}, {"", ""}}, {451.2698, 12.751194, "Meta"} -> 
    {{82073, 131488, 108234}, {"", ""}}, {1104.6042, 12.750401, "Meta"} -> 
    {{24504, 1, 32583}, {"", ""}}, {594.238, 12.752146, "Meta"} -> 
    {{61290, 1, 77876}, {"", ""}}, {1661.8961, 12.749751, "Meta"} -> 
    {{29686, 1, 83969}, {"", ""}}, {295.2514, 12.752306, "Meta"} -> 
    {{1.12*^7, 1.06*^7, 9319378}, {"", ""}}, {646.5257, 12.745705, "Meta"} -> 
    {{45334, 38875, 1}, {"", ""}}, {654.2522, 12.751028, "Meta"} -> 
    {{123334, 59311, 126465}, {"", ""}}, {541.3161, 12.752888, "Meta"} -> 
    {{9687373, 4462534, 1.64*^7}, {"", ""}}, {597.2377, 12.750058, "Meta"} -> 
    {{137320, 1, 100986}, {"", ""}}, {579.2647, 12.7531395, "Meta"} -> 
    {{707707, 413762, 890978}, 
     {" [ C32 H39 N2 O8, db=0.00, overall=32.44, mfg=64.87 ]", ""}}, 
   {710.2763, 12.752368, "Meta"} -> {{24439, 1, 32594}, {"", ""}}, 
   {639.2909, 12.752972, "Meta"} -> {{164204, 134904, 245442}, 
     {" [ C33 H41 N3 O10, db=0.00, overall=34.40, mfg=68.80 ]", ""}}, 
   {563.2865, 12.751833, "Meta"} -> {{46618, 1, 59093}, {"", ""}}, 
   {278.2243, 12.768029, "Meta"} -> {{252221, 217835, 224360}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=76.66, overall=38.33, Lipid \
ID=LMFA01030148, KEGG ID= ]", ""}}, {958.6044, 12.764857, "Meta"} -> 
    {{117566, 1, 100443}, {"", ""}}, {1613.8976, 12.766002, "Meta"} -> 
    {{1, 1, 57884}, {"", ""}}, {358.1711, 12.782434, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {298.1468, 12.782714, "Meta"} -> 
    {{61399, 51812, 61399}, {"", ""}}, {345.1374, 12.7813015, "Meta"} -> 
    {{35892, 24513, 18426}, {"", ""}}, {200.1773, 12.781779, "Meta"} -> 
    {{121090, 107371, 85562}, {"Lauric acid [ C12 H24 O2, db=93.72, \
overall=46.86, KEGG ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, 
   {214.1929, 12.781723, "Meta"} -> {{70021, 74103, 56758}, 
     {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, db=85.75, overall=42.87, \
KEGG ID=, CAS ID= ]", ""}}, {254.224, 12.784, "Meta"} -> 
    {{98908, 123121, 118481}, {"7-palmitoleic acid [ C16 H30 O2, db=89.68, \
overall=44.84, Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, 
   {1072.5817, 12.78529, "Meta"} -> {{121245, 43250, 244042}, {"", ""}}, 
   {777.5449, 12.788111, "Meta"} -> {{155584, 154114, 149233}, {"", ""}}, 
   {294.2171, 12.80724, "Meta"} -> {{135845, 148894, 147532}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=65.45, overall=32.73, \
Lipid ID=, KEGG ID= ]", ""}}, {986.6337, 12.798241, "Meta"} -> 
    {{28857, 1, 214302}, {"", ""}}, {483.3767, 12.801028, "Meta"} -> 
    {{104223, 118645, 102409}, {"", ""}}, {466.3504, 12.800827, "Meta"} -> 
    {{197398, 1, 184587}, {"", ""}}, {515.2983, 12.801221, "Meta"} -> 
    {{889086, 412181, 2153442}, {"", ""}}, {272.1993, 12.802755, "Meta"} -> 
    {{219109, 531772, 266685}, {"3-methyl-tetradecanedioic acid [ C15 H28 O4, \
db=87.86, overall=43.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {1002.6305, 12.8012295, "Meta"} -> {{102218, 147243, 101396}, {"", ""}}, 
   {1024.5826, 12.804735, "Meta"} -> {{98966, 1, 210125}, {"", ""}}, 
   {591.2919, 12.809055, "Meta"} -> {{139017, 112199, 257048}, 
     {" [ C34 H41 N O8, db=0.00, overall=41.36, mfg=82.72 ]", ""}}, 
   {606.2508, 12.808973, "Meta"} -> {{81629, 32788, 110410}, {"", ""}}, 
   {493.3159, 12.811169, "Meta"} -> {{5499827, 2880647, 1.21*^7}, {"", ""}}, 
   {531.2643, 12.810324, "Meta"} -> {{366142, 208497, 607886}, {"", ""}}, 
   {549.2373, 12.808871, "Meta"} -> {{53543, 18570, 64189}, {"", ""}}, 
   {454.3057, 12.813647, "Meta"} -> {{54918, 53365, 38212}, 
     {"26,26,26-trifluoro-25-hydroxyvitamin D3 / \
26,26,26-trifluoro-25-hydroxycholecalciferol [ C27 H41 F3 O2, db=85.90, \
overall=42.95, Lipid ID=LMST03020131, KEGG ID= ]", ""}}, 
   {414.3129, 12.812971, "Meta"} -> {{89309, 74165, 41910}, 
     {"1alpha,25-dihydroxy-9,11-didehydrovitamin D_3 / \
1alpha,25-dihydroxy-9,11-didehydrocholecalciferol [ C27 H42 O3, db=82.66, \
overall=41.33, Lipid ID=LMST03020170, KEGG ID= ]", ""}}, 
   {596.2634, 12.8228445, "Meta"} -> {{45528, 50630, 51980}, {"", ""}}, 
   {437.2892, 12.8172, "Meta"} -> {{40791, 1, 42213}, {"", ""}}, 
   {682.4242, 12.824768, "Meta"} -> {{34246, 35420, 31642}, {"", ""}}, 
   {398.2432, 12.822418, "Meta"} -> {{204037, 208380, 3979909}, {"", ""}}, 
   {677.4712, 12.822635, "Meta"} -> {{1, 33325, 32430}, {"", ""}}, 
   {256.2036, 12.822162, "Meta"} -> {{98326, 76262, 132811}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=61.54, overall=30.77, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {826.5262, 12.818275, "Meta"} -> 
    {{1, 124098, 60894}, {"", ""}}, {280.2011, 12.8328, "Meta"} -> 
    {{42134, 34212, 32807}, 
     {"12S-HHTrE [ C17 H28 O3, db=40.55, overall=20.28, KEGG ID=, CAS ID= ]", 
      ""}}, {821.5706, 12.8296385, "Meta"} -> {{123828, 124563, 124589}, 
     {"", ""}}, {240.2083, 12.832307, "Meta"} -> {{33689, 25341, 31731}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=72.97, overall=36.49, Lipid ID=, \
KEGG ID= ]", ""}}, {527.403, 12.835585, "Meta"} -> 
    {{203657, 200275, 204842}, {"", ""}}, {510.3765, 12.837113, "Meta"} -> 
    {{363249, 337542, 311316}, {"", ""}}, {901.4447, 12.842889, "Meta"} -> 
    {{19083, 1, 24986}, {"", ""}}, {338.2438, 12.854486, "Meta"} -> 
    {{50316, 42680, 34677}, {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=56.30, \
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     {"Trp His Met [ C22 H28 N6 O4 S, db=36.23, overall=18.12 ]", ""}}, 
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    {{922219, 927558, 575577}, 
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   {1043.581, 13.234543, "Meta"} -> {{480560, 347510, 465606}, {"", ""}}, 
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   {849.6027, 13.300112, "Meta"} -> {{497035, 498689, 367535}, {"", ""}}, 
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   {282.2558, 13.331113, "Meta"} -> {{106468, 106724, 32764}, 
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    {{1098121, 905547, 1856233}, {"GPEtn(18:1(9Z)/0:0) [ C23 H46 N O7 P, \
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    {{566828, 608442, 590922}, {"", ""}}, {633.4451, 13.413411, "Meta"} -> 
    {{200202, 134860, 113763}, {"", ""}}, {603.3438, 13.414715, "Meta"} -> 
    {{96016, 128698, 48483}, {"", ""}}, {2560.632, 13.427743, "Meta"} -> 
    {{67605, 37136, 176006}, {"", ""}}, {543.3295, 13.437201, "Meta"} -> 
    {{1.03*^7, 7681751, 1.41*^7}, {"Arachidonyl lysolecithin [ C28 H50 N O7 \
P, db=68.32, overall=34.16, KEGG ID=, CAS ID=63163-02-0 ]", "63163-02-0"}}, 
   {1135.743, 13.422143, "Meta"} -> {{98266, 111604, 29516}, {"", ""}}, 
   {690.3105, 13.4258585, "Meta"} -> {{206569, 149536, 147551}, {"", ""}}, 
   {1501.9677, 13.427439, "Meta"} -> {{65486, 1, 94571}, {"", ""}}, 
   {2039.2827, 13.429742, "Meta"} -> {{94328, 48039, 95015}, {"", ""}}, 
   {958.6393, 13.429195, "Meta"} -> {{373524, 237377, 694532}, {"", ""}}, 
   {1162.74, 13.429583, "Meta"} -> {{81728, 86111, 85334}, {"", ""}}, 
   {1517.9358, 13.433, "Meta"} -> {{106758, 65255, 146331}, {"", ""}}, 
   {346.283, 13.424243, "Meta"} -> {{104529, 122837, 1}, {"", ""}}, 
   {475.2383, 13.436575, "Meta"} -> {{81969, 56806, 49128}, {"", ""}}, 
   {996.5873, 13.434169, "Meta"} -> {{154334, 125262, 139702}, {"", ""}}, 
   {437.2908, 13.436001, "Meta"} -> {{1797249, 1238028, 2028068}, {"", ""}}, 
   {1174.8127, 13.437468, "Meta"} -> {{60693, 55827, 1}, 
     {"Ganglioside GA2 (d18:1/24:1(15Z)) [ C62 H114 N2 O18, db=63.68, \
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   {356.2326, 13.443095, "Meta"} -> {{99284, 149159, 52947}, 
     {"Estradiol valerate [ C23 H32 O3, db=76.14, overall=38.07, Lipid \
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    {{490630, 988486, 95984}, {"2-hydroxy-heptadecanoic acid [ C17 H34 O3, \
db=69.59, overall=34.80, Lipid ID=, KEGG ID= ]", ""}}, 
   {682.4267, 13.444629, "Meta"} -> {{157967, 100366, 86525}, {"", ""}}, 
   {660.4455, 13.46008, "Meta"} -> {{1, 52067, 1}, {"", ""}}, 
   {677.4712, 13.445686, "Meta"} -> {{219298, 155584, 95278}, {"", ""}}, 
   {1589.9924, 13.468614, "Meta"} -> {{31608, 1, 206096}, {"", ""}}, 
   {582.434, 13.44971, "Meta"} -> {{85344, 13639, 53163}, {"", ""}}, 
   {1201.8121, 13.446374, "Meta"} -> {{1, 166525, 108219}, {"", ""}}, 
   {1218.8394, 13.450121, "Meta"} -> {{40035, 45371, 1}, {"", ""}}, 
   {643.4868, 13.455331, "Meta"} -> {{136873, 142571, 122271}, {"", ""}}, 
   {787.504, 13.456806, "Meta"} -> {{277560, 298218, 462966}, {"", ""}}, 
   {360.1684, 13.446973, "Meta"} -> {{139055, 122514, 68575}, {"", ""}}, 
   {298.2508, 13.4529085, "Meta"} -> {{1, 72817, 44295}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=76.83, overall=38.42, \
Lipid ID=, KEGG ID= ]", ""}}, {328.1422, 13.449487, "Meta"} -> 
    {{485654, 439597, 139673}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=59.63, overall=29.81 ]", ""}}, 
   {626.4605, 13.455713, "Meta"} -> {{181848, 174219, 156218}, {"", ""}}, 
   {529.3166, 13.445241, "Meta"} -> {{61473, 1, 147426}, {"", ""}}, 
   {298.132, 13.452121, "Meta"} -> {{128990, 90527, 20573}, {"", ""}}, 
   {210.1979, 13.462029, "Meta"} -> {{44973, 39373, 1}, 
     {"9R-(2-cyclopentenyl)-1-nonanol [ C14 H26 O, db=80.27, overall=40.13, \
Lipid ID=, KEGG ID= ]", ""}}, {228.2088, 13.461361, "Meta"} -> 
    {{224329, 214793, 101339}, {"4,8-dimethyl-dodecanoic acid [ C14 H28 O2, \
db=97.16, overall=48.58, KEGG ID=, CAS ID= ]", ""}}, 
   {242.2246, 13.461306, "Meta"} -> {{132376, 134465, 83122}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=84.34, overall=42.17, KEGG ID=, \
CAS ID= ]", ""}}, {326.1768, 13.462116, "Meta"} -> 
    {{121509, 1, 42887}, {"", ""}}, {386.1997, 13.462514, "Meta"} -> 
    {{74011, 1, 20030}, {"Sufentanil [ C22 H30 N2 O2 S, db=68.01, \
overall=34.01, KEGG ID=C08022, CAS ID=56030-54-7 ]", "56030-54-7"}}, 
   {1262.8665, 13.464781, "Meta"} -> {{59835, 56301, 1}, {"", ""}}, 
   {373.1689, 13.462395, "Meta"} -> {{55568, 41100, 13049}, {"", ""}}, 
   {687.5133, 13.464694, "Meta"} -> {{265105, 271998, 223822}, {"", ""}}, 
   {670.4869, 13.464749, "Meta"} -> {{343283, 317641, 294802}, {"", ""}}, 
   {282.2192, 13.465608, "Meta"} -> {{144499, 175315, 150560}, 
     {"12S-hydroxy-16-heptadecynoic acid [ C17 H30 O3, db=84.60, \
overall=42.30, Lipid ID=, KEGG ID= ]", ""}}, {889.4821, 13.472444, "Meta"} -> 
    {{44259, 54427, 54996}, {"", ""}}, {1068.6482, 13.486214, "Meta"} -> 
    {{44489, 1, 302739}, {"", ""}}, {294.2173, 13.475067, "Meta"} -> 
    {{47325, 32921, 25186}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, \
db=67.17, overall=33.58, Lipid ID=, KEGG ID= ]", ""}}, 
   {721.4973, 13.473999, "Meta"} -> {{192752, 131811, 109542}, {"", ""}}, 
   {322.2483, 13.518925, "Meta"} -> {{146000, 1, 1}, 
     {"5(S)-HETrE [ C20 H34 O3, db=45.60, overall=22.80, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {714.513, 13.474778, "Meta"} -> 
    {{527143, 512638, 439808}, {"", ""}}, {726.453, 13.474451, "Meta"} -> 
    {{134895, 92131, 85475}, {"", ""}}, {731.5396, 13.474721, "Meta"} -> 
    {{406308, 407027, 353148}, {"GPEtnNMe(16:0/18:1(9Z))[U] [ C40 H78 N O8 P, \
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   {346.1525, 13.466243, "Meta"} -> {{189604, 166728, 64393}, {"", ""}}, 
   {1306.8907, 13.478, "Meta"} -> {{32771, 31251, 1}, {"", ""}}, 
   {779.9911, 13.482259, "Meta"} -> {{28584, 1, 105916}, {"", ""}}, 
   {426.2963, 13.498375, "Meta"} -> {{35509, 111555, 32464}, 
     {"GPCho(O-6:0/O-6:0) [ C20 H45 N O6 P, db=69.94, overall=34.97, Lipid \
ID=LMGP01040078, KEGG ID= ]", ""}}, {775.5658, 13.486027, "Meta"} -> 
    {{545537, 551722, 467316}, {"", ""}}, {439.306, 13.489087, "Meta"} -> 
    {{297122, 184090, 454125}, {"", ""}}, {758.539, 13.485962, "Meta"} -> 
    {{1, 644701, 1}, {"", ""}}, {368.1336, 13.48364, "Meta"} -> 
    {{161266, 134937, 1}, {"", ""}}, {283.108, 13.4861145, "Meta"} -> 
    {{425541, 282041, 74786}, {"", ""}}, {648.2967, 13.495222, "Meta"} -> 
    {{26855, 1, 22999}, {"", ""}}, {819.592, 13.497973, "Meta"} -> 
    {{625027, 613599, 543500}, {"", ""}}, {802.5656, 13.49772, "Meta"} -> 
    {{723685, 670535, 612114}, {"1-heptadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetra\
enoyl)-sn-glycero-3-phospho-(1'-rac-glycerol) [ C43 H81 N O10 P, db=70.84, \
overall=35.42, KEGG ID=, CAS ID= ]", ""}}, {479.337, 13.495556, "Meta"} -> 
    {{5471306, 3748894, 8890011}, {"", ""}}, 
   {1165.6327, 13.499093, "Meta"} -> {{92706, 65672, 233032}, {"", ""}}, 
   {1151.618, 13.505199, "Meta"} -> {{87871, 38850, 1}, {"", ""}}, 
   {988.6857, 13.50629, "Meta"} -> {{18775, 1, 768619}, {"", ""}}, 
   {339.2883, 13.506903, "Meta"} -> {{217014, 285714, 68802}, {"", ""}}, 
   {517.285, 13.498918, "Meta"} -> {{235301, 143345, 263580}, {"", ""}}, 
   {765.5234, 13.503918, "Meta"} -> {{123680, 103997, 70439}, {"", ""}}, 
   {1399.899, 13.508409, "Meta"} -> {{59331, 52177, 1}, {"", ""}}, 
   {1050.7004, 13.5051985, "Meta"} -> {{40381, 1, 644604}, {"", ""}}, 
   {1026.6353, 13.507728, "Meta"} -> {{53331, 58096, 88285}, {"", ""}}, 
   {1092.7122, 13.491323, "Meta"} -> {{31267, 1, 1028393}, {"", ""}}, 
   {477.1903, 13.515063, "Meta"} -> {{170207, 98011, 35869}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=52.47, overall=26.23, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {279.2562, 13.510799, "Meta"} -> 
    {{1651049, 859412, 791360}, {"", ""}}, {1123.622, 13.4977045, "Meta"} -> 
    {{47712, 30435, 55904}, {"", ""}}, {598.2433, 13.509795, "Meta"} -> 
    {{109666, 68539, 29577}, {"", ""}}, {846.5917, 13.509481, "Meta"} -> 
    {{198333, 833800, 712111}, {"", ""}}, {863.6182, 13.510503, "Meta"} -> 
    {{634254, 639036, 608221}, {"C22 Sulfatide [ C46 H89 N O11 S, db=87.95, \
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   {885.5996, 13.517038, "Meta"} -> {{75123, 86100, 1}, {"", ""}}, 
   {612.2584, 13.509334, "Meta"} -> {{783019, 642693, 389511}, {"", ""}}, 
   {580.2323, 13.509277, "Meta"} -> {{1128673, 932492, 541472}, {"", ""}}, 
   {547.2957, 13.523854, "Meta"} -> {{96485, 75670, 426983}, {"", ""}}, 
   {644.2847, 13.51143, "Meta"} -> {{1543448, 1443493, 838175}, {"", ""}}, 
   {509.3475, 13.52603, "Meta"} -> {{2665385, 2178634, 1.56*^7}, {"", ""}}, 
   {658.2652, 13.513304, "Meta"} -> {{163683, 135504, 53648}, {"", ""}}, 
   {607.3208, 13.524964, "Meta"} -> {{1, 29724, 194178}, {"", ""}}, 
   {907.6449, 13.525166, "Meta"} -> {{671448, 658713, 719087}, 
     {"3-O-Sulfogalactosylceramide [ C48 H93 N O12 S, db=86.45, \
overall=43.23, HMP ID=HMDB00024, KEGG ID= ]", ""}}, 
   {890.6182, 13.524207, "Meta"} -> {{930685, 717901, 75987}, {"", ""}}, 
   {720.3006, 13.519515, "Meta"} -> {{102670, 69068, 35346}, {"", ""}}, 
   {672.2796, 13.517088, "Meta"} -> {{1, 448462, 270589}, {"", ""}}, 
   {571.3639, 13.521864, "Meta"} -> {{2011814, 1236170, 6063396}, {"", ""}}, 
   {354.2171, 13.571854, "Meta"} -> {{36284, 22790, 58101}, 
     {"Levonorgestrel acetate [ C23 H30 O3, db=64.58, overall=32.29, KEGG \
ID=, CAS ID=13732-69-9 ]", "13732-69-9"}}, {814.5046, 13.536868, "Meta"} -> 
    {{84745, 59557, 1}, {"", ""}}, {809.5497, 13.531092, "Meta"} -> 
    {{74762, 62732, 62876}, {"", ""}}, {734.3164, 13.525888, "Meta"} -> 
    {{232391, 181274, 117858}, {"", ""}}, {299.2825, 13.542036, "Meta"} -> 
    {{1, 26023, 99555}, {"3-Dehydrosphinganine [ C18 H37 N O2, db=93.67, \
overall=46.83, KEGG ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {706.3211, 13.528087, "Meta"} -> {{107637, 88470, 62208}, {"", ""}}, 
   {1369.8884, 13.563042, "Meta"} -> {{82394, 187226, 1}, {"", ""}}, 
   {934.6437, 13.537066, "Meta"} -> {{1, 589051, 556010}, {"", ""}}, 
   {951.6706, 13.535638, "Meta"} -> {{844619, 805747, 585627}, {"", ""}}, 
   {395.3035, 13.538113, "Meta"} -> {{76759, 51792, 186526}, {"", ""}}, 
   {400.2588, 13.538917, "Meta"} -> {{233135, 188866, 463579}, 
     {"Ophiobolin A [ C25 H36 O4, db=54.29, overall=27.15, Lipid \
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    {{65882, 46549, 179869}, {"Diphenoxylate [ C30 H32 N2 O2, db=83.13, \
overall=41.56, KEGG ID=C07872, CAS ID=915-30-0 ]", "915-30-0"}}, 
   {354.2765, 13.544889, "Meta"} -> {{1475826, 1255759, 4426692}, 
     {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 O4, db=86.35, \
overall=43.17, KEGG ID=, CAS ID= ]", ""}}, {491.2062, 13.533772, "Meta"} -> 
    {{108594, 93912, 59080}, 
     {"Tyr Phe Tyr [ C27 H29 N3 O6, db=57.52, overall=28.76 ]", ""}}, 
   {414.3093, 13.543919, "Meta"} -> {{89603, 101604, 439974}, {"", ""}}, 
   {371.3036, 13.545373, "Meta"} -> {{408140, 328230, 1329137}, {"", ""}}, 
   {1000.6522, 13.561621, "Meta"} -> {{627179, 788248, 1}, {"", ""}}, 
   {995.6966, 13.547221, "Meta"} -> {{557937, 530783, 582276}, {"", ""}}, 
   {262.2296, 13.545572, "Meta"} -> {{102415, 98623, 288331}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=92.20, overall=46.10, Lipid \
ID=, KEGG ID= ]", ""}}, {396.2665, 13.645791, "Meta"} -> 
    {{26220, 42201, 41666}, {"", ""}}, {508.8397, 13.549695, "Meta"} -> 
    {{170937, 159754, 109411}, {"", ""}}, {1022.6367, 13.552206, "Meta"} -> 
    {{169617, 1, 75360}, {"", ""}}, {267.2559, 13.55222, "Meta"} -> 
    {{288342, 273527, 129610}, {"", ""}}, {853.5758, 13.555092, "Meta"} -> 
    {{1, 1, 40831}, {"", ""}}, {501.2539, 13.558999, "Meta"} -> 
    {{79411, 46738, 65087}, {"", ""}}, {858.5316, 13.556654, "Meta"} -> 
    {{47340, 39237, 35419}, {"", ""}}, {1028.648, 13.573232, "Meta"} -> 
    {{1, 1, 126895}, {"", ""}}, {837.5203, 13.564915, "Meta"} -> 
    {{63784, 38860, 22306}, {"", ""}}, {519.8613, 13.559681, "Meta"} -> 
    {{692375, 741394, 1}, {"", ""}}, {1056.7491, 13.56075, "Meta"} -> 
    {{1, 156326, 1}, {"", ""}}, {530.8529, 13.562063, "Meta"} -> 
    {{202655, 200903, 112230}, {"", ""}}, {463.3064, 13.56053, "Meta"} -> 
    {{1618808, 1026393, 2366787}, {"", ""}}, {334.1441, 13.569034, "Meta"} -> 
    {{161167, 135514, 36059}, 
     {"Arg Cys Gly [ C11 H22 N6 O4 S, db=50.72, overall=25.36 ]", ""}}, 
   {376.1987, 13.568419, "Meta"} -> {{185512, 180150, 65295}, 
     {"Glu Thr Lys [ C15 H28 N4 O7, db=67.35, overall=33.68 ]", ""}}, 
   {316.1717, 13.568858, "Meta"} -> {{93555, 88097, 31153}, 
     {"Ala Asn Leu [ C13 H24 N4 O5, db=54.09, overall=27.05 ]", ""}}, 
   {278.2244, 13.568999, "Meta"} -> {{1023465, 904452, 380911}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=86.05, overall=43.02, Lipid \
ID=LMFA01030148, KEGG ID= ]", ""}}, {295.2523, 13.578938, "Meta"} -> 
    {{631368, 530279, 348538}, {"", ""}}, {1088.7043, 13.572557, "Meta"} -> 
    {{287519, 274045, 454540}, {"", ""}}, {1110.6956, 13.577559, "Meta"} -> 
    {{165249, 182507, 137287}, {"", ""}}, {960.6902, 13.570629, "Meta"} -> 
    {{1, 1, 290024}, {"", ""}}, {902.5572, 13.5793, "Meta"} -> 
    {{29760, 21532, 1}, {"", ""}}, {897.6025, 13.580344, "Meta"} -> 
    {{1, 1, 29243}, {"", ""}}, {294.2172, 13.592863, "Meta"} -> 
    {{21028, 1, 44691}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=68.48, \
overall=34.24, Lipid ID=, KEGG ID= ]", ""}}, {466.3728, 13.589202, "Meta"} -> 
    {{70574, 1, 1}, {"", ""}}, {519.3001, 13.581778, "Meta"} -> 
    {{221631, 158655, 501976}, {"", ""}}, {594.2896, 13.585677, "Meta"} -> 
    {{63417, 42811, 76377}, 
     {" [ C33 H42 N2 O8, db=0.00, overall=30.00, mfg=60.00 ]", ""}}, 
   {1132.7306, 13.584446, "Meta"} -> {{200842, 198132, 269824}, {"", ""}}, 
   {481.3526, 13.5835, "Meta"} -> {{8966227, 5908555, 2.47*^7}, 
     {"1-O-Hexadecyl-2-lyso-glycero-3-phosphorylcholine [ C24 H52 N O6 P, \
db=95.41, overall=47.71, KEGG ID=, CAS ID=52691-62-0 ]", "52691-62-0"}}, 
   {579.3257, 13.584827, "Meta"} -> {{168912, 141689, 236228}, {"", ""}}, 
   {421.3402, 13.600849, "Meta"} -> {{50921, 1, 169222}, {"", ""}}, 
   {364.2589, 13.5994625, "Meta"} -> {{93132, 95658, 101685}, 
     {"11-deoxy-16,16-dimethyl-PGE2 [ C22 H36 O4, db=63.57, overall=31.78, \
KEGG ID=, CAS ID= ]", ""}}, {386.3031, 13.601744, "Meta"} -> 
    {{24683, 29454, 147905}, {"", ""}}, {1545.9933, 13.579229, "Meta"} -> 
    {{90416, 89254, 211233}, {"", ""}}, {1176.7563, 13.596857, "Meta"} -> 
    {{152856, 1, 201946}, {"", ""}}, {404.3139, 13.602781, "Meta"} -> 
    {{1, 1, 816543}, {"", ""}}, {599.8735, 13.598457, "Meta"} -> 
    {{82079, 76405, 31493}, {"", ""}}, {946.5852, 13.60276, "Meta"} -> 
    {{21370, 1, 1}, {"", ""}}, {547.3639, 13.597056, "Meta"} -> 
    {{1168656, 866287, 1.04*^7}, {"", ""}}, {941.6301, 13.598959, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {585.3108, 13.596875, "Meta"} -> 
    {{71728, 53500, 260273}, {"", ""}}, {358.2483, 13.611223, "Meta"} -> 
    {{57695, 55802, 73348}, {"", ""}}, {312.2663, 13.609001, "Meta"} -> 
    {{121311, 120069, 946575}, {"18-oxo-nonadecanoic acid [ C19 H36 O3, \
db=91.98, overall=45.99, Lipid ID=, KEGG ID= ]", ""}}, 
   {1215.8278, 13.60837, "Meta"} -> {{1, 1, 387731}, {"", ""}}, 
   {1220.7823, 13.607741, "Meta"} -> {{164158, 1, 171877}, {"", ""}}, 
   {1232.8549, 13.610902, "Meta"} -> {{149148, 157164, 118025}, {"", ""}}, 
   {451.3062, 13.630885, "Meta"} -> {{1, 1, 291110}, {"", ""}}, 
   {773.5247, 13.616361, "Meta"} -> {{43316, 31041, 38376}, {"", ""}}, 
   {1264.8105, 13.619029, "Meta"} -> {{109165, 94080, 315010}, {"", ""}}, 
   {993.6999, 13.622969, "Meta"} -> {{35701, 1, 60286}, {"", ""}}, 
   {629.9261, 13.618459, "Meta"} -> {{137080, 137569, 1}, {"", ""}}, 
   {271.2509, 13.618684, "Meta"} -> {{106087, 86003, 49733}, 
     {"2R-aminohexadecanoic acid [ C16 H33 N O2, db=94.88, overall=47.44, \
Lipid ID=, KEGG ID= ]", ""}}, {367.1602, 13.626543, "Meta"} -> 
    {{84678, 57540, 22791}, {"prasterone sulfate [ C19 H27 O5 S, db=49.48, \
overall=24.74, KEGG ID=, CAS ID=78590-17-7 ]", "78590-17-7"}}, 
   {1276.8809, 13.6216545, "Meta"} -> {{1, 159086, 115816}, {"", ""}}, 
   {254.2244, 13.625055, "Meta"} -> {{755518, 595849, 348946}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=96.21, overall=48.11, Lipid \
ID=LMFA01030055, KEGG ID= ]", ""}}, {356.2328, 13.633856, "Meta"} -> 
    {{44899, 35268, 120644}, {"Estradiol valerate [ C23 H32 O3, db=47.05, \
overall=23.52, Lipid ID=LMST02010039, KEGG ID=C12859 ]", ""}}, 
   {370.17, 13.628917, "Meta"} -> {{74559, 59692, 21867}, {"", ""}}, 
   {352.1935, 13.626401, "Meta"} -> {{222225, 219669, 79202}, {"", ""}}, 
   {308.235, 13.627833, "Meta"} -> {{2786178, 2820074, 3635139}, 
     {"methyl 9,10-epoxy-12,15-octadecadienoate [ C19 H32 O3, db=72.91, \
overall=36.45, Lipid ID=, KEGG ID= ]", ""}}, {236.2138, 13.625389, "Meta"} -> 
    {{47486, 71771, 48962}, {"6,11-hexadecadienal [ C16 H28 O, db=62.84, \
overall=31.42, Lipid ID=, KEGG ID= ]", ""}}, {512.3476, 13.627999, "Meta"} -> 
    {{239032, 180192, 83916}, {"ZK 159222 [ C32 H48 O5, db=76.77, \
overall=38.39, Lipid ID=LMST03020621, KEGG ID= ]", ""}}, 
   {325.2617, 13.630723, "Meta"} -> {{229609, 254662, 415038}, 
     {"50oxo-ETE-d7 [ C20 H23 D7 O3, db=54.79, overall=27.39, Lipid \
ID=LMFA03060083, KEGG ID= ]", ""}}, {472.3549, 13.629856, "Meta"} -> 
    {{121924, 89977, 39141}, {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehy\
dro-23-oxavitamin D3 / 26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, \
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   {728.5284, 13.694607, "Meta"} -> {{251444, 233827, 191991}, 
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   {745.5551, 13.695362, "Meta"} -> {{200716, 192948, 174953}, 
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   {446.2179, 13.704512, "Meta"} -> {{84793, 58305, 101231}, 
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   {428.2451, 13.707165, "Meta"} -> {{189497, 196879, 419626}, {"", ""}}, 
   {238.2293, 13.707944, "Meta"} -> {{38401, 51121, 193176}, 
     {"cis-11-Hexadecenal [ C16 H30 O, db=98.92, overall=49.46, KEGG ID=, CAS \
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    {{68982, 60370, 113162}, {"", ""}}, {877.6339, 13.707833, "Meta"} -> 
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    {{1, 18406, 61757}, {"", ""}}, {488.2747, 13.70686, "Meta"} -> 
    {{69002, 84480, 79573}, {"Hydrocortisone butyrate propionate [ C28 H40 \
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    {{84416, 100572, 45438}, {"Thermozeaxanthin-17/ Zeaxanthin glucoside \
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    {{444630, 396738, 324463}, {"", ""}}, {1202.8444, 13.744382, "Meta"} -> 
    {{245882, 256030, 89099}, {"Ganglioside GA2 (d18:1/26:1(17Z)) [ C64 H118 \
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   {1185.8173, 13.754801, "Meta"} -> {{834569, 807045, 329737}, {"", ""}}, 
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   {639.3065, 13.762452, "Meta"} -> {{1, 67598, 114264}, 
     {"Protorifamycin I [ C35 H45 N O10, db=55.35, overall=27.68, Lipid \
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    {{1, 1, 386527}, {"", ""}}, {636.3007, 13.76603, "Meta"} -> 
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   {561.3117, 13.775912, "Meta"} -> {{589332, 648378, 1814987}, {"", ""}}, 
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   {567.3707, 13.7708, "Meta"} -> {{1, 1, 35379}, {"", ""}}, 
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   {1099.6451, 13.763071, "Meta"} -> {{114496, 128241, 568291}, {"", ""}}, 
   {523.3653, 13.780612, "Meta"} -> {{2.48*^7, 2.86*^7, 1.25*^8}, 
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   {865.5515, 13.794698, "Meta"} -> {{339606, 152364, 96916}, {"", ""}}, 
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   {321.2667, 13.802221, "Meta"} -> {{353240, 298282, 79094}, 
     {"Anandamide (18:3, n-6) [ C20 H35 N O2, db=98.53, overall=49.26, Lipid \
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    {{215063, 224890, 115782}, {"", ""}}, {1410.9069, 13.799668, "Meta"} -> 
    {{225570, 224099, 1}, {"", ""}}, {326.2219, 13.802333, "Meta"} -> 
    {{528843, 426155, 87978}, {"3a-OH Desogestrel [ C22 H30 O2, db=65.76, \
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   {495.3673, 13.825147, "Meta"} -> {{210602, 127224, 478948}, {"", ""}}, 
   {1405.9486, 13.799881, "Meta"} -> {{337223, 310055, 1}, {"", ""}}, 
   {345.2666, 13.810092, "Meta"} -> {{328611, 254250, 126135}, 
     {"Anandamide (20:5, n-3) [ C22 H35 N O2, db=85.48, overall=42.74, Lipid \
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    {{612235, 492036, 107537}, {"3,9,15-Docosatriynoic acid [ C22 H32 O2, \
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   {1422.9753, 13.803818, "Meta"} -> {{172153, 161187, 82812}, {"", ""}}, 
   {1330.8604, 13.71827, "Meta"} -> {{1, 28262, 72561}, {"", ""}}, 
   {1454.929, 13.805271, "Meta"} -> {{31257, 32094, 48990}, {"", ""}}, 
   {536.5281, 13.803085, "Meta"} -> {{74306, 56423, 1}, {"", ""}}, 
   {587.4892, 13.8079605, "Meta"} -> {{17201, 16852, 10196}, {"", ""}}, 
   {1449.9736, 13.80397, "Meta"} -> {{293772, 251700, 83893}, {"", ""}}, 
   {341.3044, 13.817472, "Meta"} -> {{1969767, 2489792, 795048}, {"", ""}}, 
   {354.3241, 13.811501, "Meta"} -> {{19278, 26138, 1}, {"", ""}}, 
   {281.2712, 13.812444, "Meta"} -> {{2.45*^7, 1.12*^7, 8087623}, 
     {"Oleamide [ C18 H35 N O, db=95.12, overall=47.56, KEGG ID=, CAS \
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    {{37692, 160908, 1}, {"", ""}}, {312.3138, 13.81286, "Meta"} -> 
    {{66146, 66888, 1}, {"", ""}}, {841.5513, 13.813585, "Meta"} -> 
    {{326251, 323256, 405321}, {"", ""}}, {401.3155, 13.8185835, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {326.3296, 13.8149185, "Meta"} -> 
    {{260912, 275741, 150372}, {"", ""}}, {856.5198, 13.818584, "Meta"} -> 
    {{78339, 95153, 90022}, {"", ""}}, {1511.0262, 13.81507, "Meta"} -> 
    {{125612, 127658, 69112}, {"", ""}}, {376.2038, 13.804546, "Meta"} -> 
    {{35785, 24638, 175214}, {"fluorometholone [ C22 H29 F O4, db=59.20, \
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   {887.643, 13.824824, "Meta"} -> {{16071, 19055, 234185}, {"", ""}}, 
   {262.2296, 13.822443, "Meta"} -> {{110364, 97450, 73500}, 
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    {{65537, 65238, 42472}, {"", ""}}, {1599.0771, 13.82784, "Meta"} -> 
    {{42788, 72453, 51186}, {"", ""}}, {393.1754, 13.824646, "Meta"} -> 
    {{144195, 90988, 37830}, 
     {"Thr His His [ C16 H23 N7 O5, db=62.69, overall=31.35 ]", ""}}, 
   {280.2402, 13.821678, "Meta"} -> {{1823767, 1619483, 889243}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.73, overall=42.36, \
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    {{32156, 31322, 24789}, {"", ""}}, {318.1871, 13.828527, "Meta"} -> 
    {{116030, 103157, 38672}, {"", ""}}, {336.1598, 13.82475, "Meta"} -> 
    {{324797, 248597, 101022}, {"", ""}}, {742.5544, 13.829965, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {264.2449, 13.830167, "Meta"} -> 
    {{69683, 75132, 142625}, {"9,12-octadecadienal [ C18 H32 O, db=93.91, \
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    {{65181, 66402, 21338}, {"", ""}}, {637.5649, 13.826834, "Meta"} -> 
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    {{1, 35415, 272948}, {"", ""}}, {454.2603, 13.837749, "Meta"} -> 
    {{37918, 36087, 154982}, {"18-acetoxy-PGF2alpha-11-acetate [ C24 H38 O8, \
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   {1643.1019, 13.833906, "Meta"} -> {{72515, 39004, 35708}, {"", ""}}, 
   {356.2921, 13.832834, "Meta"} -> {{1005432, 1045927, 4473390}, 
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    {{42312, 58124, 297863}, {"", ""}}, {296.2716, 13.837235, "Meta"} -> 
    {{1163399, 1138631, 1155909}, {"10-methylene-octadecanoic acid [ C19 H36 \
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   {595.554, 13.834362, "Meta"} -> {{189901, 197164, 141715}, {"", ""}}, 
   {331.3083, 13.839138, "Meta"} -> {{22946, 24894, 33947}, {"", ""}}, 
   {1648.0614, 13.838582, "Meta"} -> {{69582, 43888, 31930}, {"", ""}}, 
   {314.2819, 13.838939, "Meta"} -> {{86328, 732756, 565606}, 
     {"2-hydroxy-nonadecanoic acid [ C19 H38 O3, db=79.99, overall=40.00, \
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    {{28329, 38037, 40293}, {"", ""}}, {550.5438, 13.840639, "Meta"} -> 
    {{81423, 72191, 26015}, {"", ""}}, {345.3232, 13.839605, "Meta"} -> 
    {{10280, 1, 11922}, {"", ""}}, {351.3135, 13.836865, "Meta"} -> 
    {{24115, 1, 19466}, {"Anandamide (20:2, n-6) [ C22 H41 N O2, db=87.77, \
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   {589.5048, 13.843435, "Meta"} -> {{30866, 31514, 60982}, {"", ""}}, 
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   {958.5066, 13.858265, "Meta"} -> {{23466, 28037, 138758}, {"", ""}}, 
   {312.2662, 13.867914, "Meta"} -> {{178786, 253701, 802645}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=84.87, overall=42.44, Lipid \
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    {{126473, 231289, 80257}, {"", ""}}, {875.5037, 13.871608, "Meta"} -> 
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    {{404568, 335731, 1479358}, {"", ""}}, {268.2402, 13.870259, "Meta"} -> 
    {{1, 1, 39011}, {"9-heptadecylenic acid [ C17 H32 O2, db=81.99, \
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   {360.1681, 13.864379, "Meta"} -> {{1, 107242, 62397}, 
     {"Leu Asn Asp [ C14 H24 N4 O7, db=34.15, overall=17.08 ]", ""}}, 
   {914.4793, 13.871298, "Meta"} -> {{27526, 30941, 44450}, {"", ""}}, 
   {418.1739, 13.870945, "Meta"} -> {{132466, 157847, 67357}, 
     {"Nimodipine [ C21 H26 N2 O7, db=61.54, overall=30.77, KEGG ID=C07267, \
CAS ID=66085-59-4 ]", "66085-59-4"}}, {662.2484, 13.876678, "Meta"} -> 
    {{104796, 53622, 63364}, {"", ""}}, {1103.5966, 13.872333, "Meta"} -> 
    {{1, 283072, 2621431}, {"", ""}}, {346.1531, 13.871804, "Meta"} -> 
    {{786520, 618246, 418993}, {"", ""}}, {390.1788, 13.869486, "Meta"} -> 
    {{552529, 485401, 1}, 
     {"Asp Lys Glu [ C15 H26 N4 O8, db=62.57, overall=31.29 ]", ""}}, 
   {1153.6309, 13.874, "Meta"} -> {{1, 67098, 1}, {"", ""}}, 
   {328.1421, 13.873054, "Meta"} -> {{524523, 414741, 276383}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=67.54, overall=33.77 ]", ""}}, 
   {357.3227, 13.877501, "Meta"} -> {{1, 1, 60473}, {"", ""}}, 
   {294.0996, 13.875195, "Meta"} -> {{36746, 203157, 114081}, {"", ""}}, 
   {1135.623, 13.873161, "Meta"} -> {{56343, 80638, 269161}, {"", ""}}, 
   {239.1157, 13.8723, "Meta"} -> {{40960, 32096, 31211}, {"", ""}}, 
   {1189.6305, 13.875001, "Meta"} -> {{53508, 1, 527234}, {"", ""}}, 
   {420.1898, 13.874806, "Meta"} -> {{39982, 35628, 24037}, 
     {"Gln His His [ C17 H24 N8 O5, db=42.13, overall=21.06 ]", ""}}, 
   {670.265, 13.873167, "Meta"} -> {{76256, 66155, 49500}, {"", ""}}, 
   {580.2324, 13.874638, "Meta"} -> {{9357060, 6914805, 4751154}, {"", ""}}, 
   {640.2526, 13.874076, "Meta"} -> {{93580, 208723, 1}, {"", ""}}, 
   {612.2593, 13.875, "Meta"} -> {{3913919, 3617842, 3735555}, {"", ""}}, 
   {644.284, 13.875222, "Meta"} -> {{1.34*^7, 1.18*^7, 8126736}, {"", ""}}, 
   {1180.491, 13.877401, "Meta"} -> {{195591, 102827, 1}, {"", ""}}, 
   {1254.532, 13.877502, "Meta"} -> {{151978, 107917, 1}, {"", ""}}, 
   {864.3481, 13.876028, "Meta"} -> {{336915, 299329, 155738}, {"", ""}}, 
   {282.1003, 13.8762245, "Meta"} -> {{1098929, 953535, 617781}, {"", ""}}, 
   {706.3213, 13.875223, "Meta"} -> {{815028, 711570, 590323}, {"", ""}}, 
   {1242.5096, 13.876581, "Meta"} -> {{65839, 51781, 39597}, {"", ""}}, 
   {582.2468, 13.8751, "Meta"} -> {{8473250, 7339589, 5317964}, 
     {"Biliverdin IX [ C33 H34 N4 O6, db=45.81, overall=22.91, HMP \
ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", " 114-25-0"}}, 
   {896.3746, 13.876728, "Meta"} -> {{347526, 307137, 192472}, {"", ""}}, 
   {720.3007, 13.875195, "Meta"} -> {{583731, 473508, 345021}, {"", ""}}, 
   {908.3734, 13.876348, "Meta"} -> {{168310, 149073, 104305}, {"", ""}}, 
   {636.1519, 13.87985, "Meta"} -> {{121238, 95561, 61659}, {"", ""}}, 
   {943.4197, 13.876037, "Meta"} -> {{186697, 159716, 1}, {"", ""}}, 
   {1192.4886, 13.875974, "Meta"} -> {{1886035, 1641678, 216487}, {"", ""}}, 
   {1226.5306, 13.877594, "Meta"} -> {{2876845, 2670333, 252948}, {"", ""}}, 
   {314.1267, 13.875557, "Meta"} -> {{1276449, 1108452, 753073}, {"", ""}}, 
   {748.2959, 13.87564, "Meta"} -> {{250006, 185176, 123614}, {"", ""}}, 
   {734.3167, 13.875916, "Meta"} -> {{1618090, 1310489, 1017252}, {"", ""}}, 
   {970.4116, 13.876899, "Meta"} -> {{1, 190689, 112727}, {"", ""}}, 
   {867.3674, 13.8762865, "Meta"} -> {{553877, 474267, 239249}, {"", ""}}, 
   {926.3857, 13.876266, "Meta"} -> {{1, 1, 163611}, {"", ""}}, 
   {583.2517, 13.87564, "Meta"} -> {{5566351, 4644546, 3206511}, {"", ""}}, 
   {956.396, 13.876835, "Meta"} -> {{252673, 169381, 78549}, {"", ""}}, 
   {676.308, 13.876473, "Meta"} -> {{185841, 166726, 147061}, {"", ""}}, 
   {929.4038, 13.876501, "Meta"} -> {{247142, 1, 117072}, {"", ""}}, 
   {672.2801, 13.875572, "Meta"} -> {{3595032, 3010875, 2204924}, {"", ""}}, 
   {493.2209, 13.875945, "Meta"} -> {{425135, 411423, 291689}, {"", ""}}, 
   {658.2643, 13.874903, "Meta"} -> {{1, 701833, 1}, {"", ""}}, 
   {1151.4832, 13.877482, "Meta"} -> {{152307, 132057, 36375}, {"", ""}}, 
   {961.4299, 13.877784, "Meta"} -> {{79157, 62788, 26937}, {"", ""}}, 
   {912.4054, 13.877669, "Meta"} -> {{731877, 664079, 369580}, {"", ""}}, 
   {762.3116, 13.876194, "Meta"} -> {{810371, 592745, 425780}, {"", ""}}, 
   {975.4451, 13.8780365, "Meta"} -> {{1, 106503, 55193}, {"", ""}}, 
   {509.216, 13.87594, "Meta"} -> {{154425, 1, 1}, {"", ""}}, 
   {491.2056, 13.876723, "Meta"} -> {{447262, 441594, 328340}, 
     {"Tyr Phe Tyr [ C27 H29 N3 O6, db=65.06, overall=32.53 ]", ""}}, 
   {881.3826, 13.877259, "Meta"} -> {{100217, 83764, 41949}, {"", ""}}, 
   {1193.664, 13.879387, "Meta"} -> {{61665, 61631, 512183}, {"", ""}}, 
   {582.7497, 13.876502, "Meta"} -> {{1000010, 818603, 511284}, {"", ""}}, 
   {495.208, 13.876967, "Meta"} -> {{77884, 67646, 43060}, 
     {"Trp Tyr Gln [ C25 H29 N5 O6, db=56.92, overall=28.46 ]", ""}}, 
   {616.2538, 13.877678, "Meta"} -> {{1, 1, 110076}, {"", ""}}, 
   {479.205, 13.876445, "Meta"} -> {{105772, 104911, 74764}, 
     {"Nicardipine [ C26 H29 N3 O6, db=70.81, overall=35.41, KEGG ID=C07264, \
CAS ID=55985-32-5 ]", "55985-32-5"}}, {878.365, 13.876516, "Meta"} -> 
    {{47581, 42669, 20184}, {"", ""}}, {567.2211, 13.876649, "Meta"} -> 
    {{313449, 271570, 187365}, {"", ""}}, {644.7861, 13.877095, "Meta"} -> 
    {{63774, 86155, 25095}, {"", ""}}, {461.195, 13.876152, "Meta"} -> 
    {{56062, 47445, 34156}, 
     {"Gln Trp Glu [ C21 H27 N5 O7, db=34.78, overall=17.39 ]", ""}}, 
   {298.1317, 13.878472, "Meta"} -> {{1281154, 1076945, 582970}, {"", ""}}, 
   {352.1394, 13.880392, "Meta"} -> {{67281, 55793, 1}, 
     {"Asn Tyr Gly [ C15 H20 N4 O6, db=68.82, overall=34.41 ]", ""}}, 
   {284.1158, 13.879252, "Meta"} -> {{781800, 647325, 303808}, {"", ""}}, 
   {477.1898, 13.879307, "Meta"} -> {{296551, 327767, 178334}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=74.18, overall=37.09, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {833.4963, 13.885234, "Meta"} -> 
    {{51468, 1, 339927}, {"", ""}}, {1045.5562, 13.8920965, "Meta"} -> 
    {{35591, 18235, 121588}, {"", ""}}, {1095.5912, 13.892453, "Meta"} -> 
    {{40060, 29595, 58696}, {"", ""}}, {1048.5735, 13.892926, "Meta"} -> 
    {{41798, 32469, 84344}, {"", ""}}, {779.4516, 13.885543, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {918.6492, 13.8966, "Meta"} -> 
    {{452523, 394157, 334564}, {"", ""}}, {935.6756, 13.895752, "Meta"} -> 
    {{370368, 356030, 419808}, {"", ""}}, {891.6496, 13.895306, "Meta"} -> 
    {{273412, 273666, 323931}, {"C24 Sulfatide [ C48 H93 N O11 S, db=88.42, \
overall=44.21, Lipid ID=LMSP06020013, KEGG ID= ]", ""}}, 
   {749.4387, 13.89454, "Meta"} -> {{42512, 25505, 48831}, {"", ""}}, 
   {830.5967, 13.895909, "Meta"} -> {{239689, 226122, 127896}, {"", ""}}, 
   {847.6232, 13.896607, "Meta"} -> {{167952, 184423, 184763}, {"", ""}}, 
   {979.702, 13.896585, "Meta"} -> {{447946, 424390, 549818}, {"", ""}}, 
   {1050.7274, 13.9000435, "Meta"} -> {{42117, 32405, 1}, {"", ""}}, 
   {1028.6847, 13.898851, "Meta"} -> {{1, 438976, 312640}, {"", ""}}, 
   {984.6579, 13.897518, "Meta"} -> {{453405, 428205, 1}, {"", ""}}, 
   {1023.7278, 13.898656, "Meta"} -> {{457843, 436969, 567952}, {"", ""}}, 
   {962.6753, 13.896331, "Meta"} -> {{46011, 49594, 470696}, {"", ""}}, 
   {803.597, 13.898972, "Meta"} -> {{108518, 107382, 110742}, {"", ""}}, 
   {1006.7014, 13.900152, "Meta"} -> {{509668, 33153, 1}, {"", ""}}, 
   {1067.7542, 13.901264, "Meta"} -> {{461457, 429417, 531105}, {"", ""}}, 
   {1094.7538, 13.901059, "Meta"} -> {{34966, 34026, 1}, {"", ""}}, 
   {465.3222, 13.902696, "Meta"} -> {{971209, 671224, 3379964}, {"", ""}}, 
   {1138.7803, 13.90453, "Meta"} -> {{394686, 26184, 23060}, {"", ""}}, 
   {478.8288, 13.901231, "Meta"} -> {{42135, 40824, 33339}, {"", ""}}, 
   {996.7292, 13.904589, "Meta"} -> {{49230, 49415, 71336}, 
     {"TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,\
13Z,16Z,19Z))[iso3] [ C67 H96 O6, db=48.00, overall=24.00, Lipid \
ID=LMGL03012576, KEGG ID= ]", ""}}, {1160.7618, 13.905588, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {503.2691, 13.903366, "Meta"} -> 
    {{38678, 35865, 85138}, {"", ""}}, {522.8552, 13.904035, "Meta"} -> 
    {{135165, 133727, 107900}, {"", ""}}, {1001.6842, 13.904192, "Meta"} -> 
    {{123038, 129945, 108123}, {"", ""}}, {511.8639, 13.905617, "Meta"} -> 
    {{30003, 33103, 30572}, {"", ""}}, {544.8687, 13.907429, "Meta"} -> 
    {{197374, 185536, 149913}, {"", ""}}, {489.8508, 13.903928, "Meta"} -> 
    {{1, 21597, 1}, {"", ""}}, {1050.6691, 13.904042, "Meta"} -> 
    {{167811, 124643, 1}, {"", ""}}, {1040.753, 13.906883, "Meta"} -> 
    {{151483, 111392, 125258}, {"", ""}}, {549.3798, 13.901501, "Meta"} -> 
    {{187776, 201918, 2568706}, {"", ""}}, {555.8901, 13.907157, "Meta"} -> 
    {{1, 1, 55370}, {"", ""}}, {1248.8145, 13.916356, "Meta"} -> 
    {{48528, 62987, 257100}, {"", ""}}, {591.8776, 13.913758, "Meta"} -> 
    {{89104, 1, 52457}, {"", ""}}, {591.3753, 13.914109, "Meta"} -> 
    {{152834, 1, 84377}, {"", ""}}, {1172.8337, 13.914706, "Meta"} -> 
    {{232833, 233749, 1}, {"", ""}}, {643.9424, 13.918862, "Meta"} -> 
    {{402086, 394953, 492295}, {"", ""}}, {1243.8593, 13.917862, "Meta"} -> 
    {{852743, 842615, 824462}, {"", ""}}, {1216.8606, 13.917243, "Meta"} -> 
    {{319055, 268633, 365024}, {"", ""}}, {1292.8436, 13.918814, "Meta"} -> 
    {{1, 163659, 154039}, {"", ""}}, {482.3011, 13.906962, "Meta"} -> 
    {{1, 1, 46708}, {"", ""}}, {1260.8875, 13.921888, "Meta"} -> 
    {{300145, 297380, 417259}, {"", ""}}, {1336.8698, 13.9245, "Meta"} -> 
    {{486766, 178458, 286627}, {"Ganglioside GA1 (d18:1/24:1(15Z)) [ C68 H124 \
N2 O23, db=60.87, overall=30.44, HMP ID=HMDB04906, KEGG ID= ]", ""}}, 
   {1304.9122, 13.925807, "Meta"} -> {{1, 317447, 398503}, {"", ""}}, 
   {1309.8685, 13.923631, "Meta"} -> {{570122, 531448, 430798}, {"", ""}}, 
   {1331.9117, 13.925688, "Meta"} -> {{726666, 682109, 639236}, {"", ""}}, 
   {1066.7665, 13.906301, "Meta"} -> {{203089, 102119, 268719}, {"", ""}}, 
   {1348.9387, 13.928513, "Meta"} -> {{361952, 299866, 465343}, {"", ""}}, 
   {1380.8955, 13.928842, "Meta"} -> {{356518, 120172, 281062}, {"", ""}}, 
   {442.2608, 13.933564, "Meta"} -> {{1, 1, 72451}, {"", ""}}, 
   {1375.9377, 13.930394, "Meta"} -> {{641059, 629703, 597496}, {"", ""}}, 
   {1392.9644, 13.933, "Meta"} -> {{272373, 282652, 354289}, {"", ""}}, 
   {1424.9208, 13.932688, "Meta"} -> {{334130, 298729, 78773}, {"", ""}}, 
   {1419.9648, 13.935295, "Meta"} -> {{553267, 537559, 503782}, {"", ""}}, 
   {344.2923, 13.939112, "Meta"} -> {{191247, 231167, 2154192}, 
     {"1-heptadecanoyl-rac-glycerol [ C20 H40 O4, db=98.52, overall=49.26, \
KEGG ID=, CAS ID=68002-72-2 ]", "68002-72-2"}}, 
   {1468.948, 13.937098, "Meta"} -> {{79192, 251848, 43761}, {"", ""}}, 
   {1436.9904, 13.938028, "Meta"} -> {{270668, 250806, 360921}, {"", ""}}, 
   {1463.9899, 13.9394865, "Meta"} -> {{1, 449114, 425977}, {"", ""}}, 
   {466.3654, 13.941461, "Meta"} -> {{1, 413846, 281296}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=76.50, overall=38.25, \
Lipid ID=LMST01030128, KEGG ID= ]", ""}}, {1481.017, 13.942124, "Meta"} -> 
    {{252176, 239478, 317099}, {"", ""}}, {1508.0137, 13.944414, "Meta"} -> 
    {{69600, 90424, 393340}, {"", ""}}, {222.1615, 13.993, "Meta"} -> 
    {{16961, 1, 52937}, {"", ""}}, {1529.9991, 13.944249, "Meta"} -> 
    {{341627, 316225, 1}, {"", ""}}, {283.2872, 13.950055, "Meta"} -> 
    {{326781, 324153, 263455}, {"Stearamide [ C18 H37 N O, db=99.52, \
overall=49.76, KEGG ID=, CAS ID=124-26-5 ]", "124-26-5"}}, 
   {1525.0424, 13.947517, "Meta"} -> {{266448, 186899, 282823}, {"", ""}}, 
   {386.1755, 13.956785, "Meta"} -> {{43496, 26099, 23580}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=50.71, overall=25.36 ]", ""}}, 
   {1623.0092, 13.9477415, "Meta"} -> {{108049, 103686, 1}, {"", ""}}, 
   {428.2901, 13.938, "Meta"} -> {{31416, 1, 134877}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=61.60, \
overall=30.80, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {1618.051, 13.949916, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1569.0697, 13.946124, "Meta"} -> {{151457, 139756, 231628}, {"", ""}}, 
   {467.3376, 13.954553, "Meta"} -> {{1, 1, 326427}, {"", ""}}, 
   {347.2825, 13.963371, "Meta"} -> {{213805, 227556, 354270}, 
     {"(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide [ C22 \
H37 N O2, db=98.13, overall=49.07, KEGG ID=, CAS ID= ]", ""}}, 
   {330.2557, 13.959749, "Meta"} -> {{348433, 320145, 253071}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=84.17, \
overall=42.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {1662.0767, 13.946449, "Meta"} -> {{192339, 162435, 116399}, {"", ""}}, 
   {510.3319, 13.973654, "Meta"} -> {{1, 63157, 50884}, 
     {"11-(3-acetoxy-1-propynyl)-1alpha,25-dihydroxy-9,11-didehydrovitamin D3 \
/ 11-(3-acetoxy-1-propynyl)-1 [ C32 H46 O5, db=44.65, overall=22.33, Lipid \
ID=LMST03020511, KEGG ID= ]", ""}}, {452.3502, 13.976595, "Meta"} -> 
    {{62651, 70713, 159382}, {"5beta-Cholestane-3alpha,7alpha,12alpha,25,26-p\
entol [ C27 H48 O5, db=62.10, overall=31.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {1657.1215, 13.958542, "Meta"} -> {{87553, 82513, 141418}, {"", ""}}, 
   {1750.128, 13.9647875, "Meta"} -> {{86499, 72013, 35810}, {"", ""}}, 
   {220.146, 13.986333, "Meta"} -> {{39534, 48114, 41579}, {"", ""}}, 
   {329.2933, 13.898458, "Meta"} -> {{56252, 51289, 280611}, {"", ""}}, 
   {460.3175, 13.9654, "Meta"} -> {{91516, 81883, 108995}, 
     {"(24R)-1alpha,24,25,26-tetrahydroxyvitamin D2 / \
(24R)-1alpha,24,25,26-tetrahydroxyergocalciferol [ C28 H44 O5, db=68.24, \
overall=34.12, Lipid ID=LMST03010054, KEGG ID= ]", ""}}, 
   {1745.1743, 13.967287, "Meta"} -> {{59481, 40229, 25705}, {"", ""}}, 
   {1701.1473, 13.966741, "Meta"} -> {{73981, 62260, 115808}, {"", ""}}, 
   {402.2765, 13.957289, "Meta"} -> {{18061, 1, 27793}, 
     {"1alpha-hydroxy-26,27-dinorvitamin D3 25-carboxylic acid / \
1alpha-hydroxy-26,27-dinorcholecalciferol [ C25 H38 O4, db=52.81, \
overall=26.41, Lipid ID=LMST03020025, KEGG ID= ]", ""}}, 
   {440.3505, 13.985816, "Meta"} -> {{508968, 420491, 395102}, {"", ""}}, 
   {484.3164, 13.975783, "Meta"} -> {{203176, 174938, 173700}, {"", ""}}, 
   {653.3246, 13.973182, "Meta"} -> {{17944, 15970, 48433}, {"", ""}}, 
   {334.2482, 13.893001, "Meta"} -> {{1, 110665, 1}, 
     {"Tetrahydrodeoxycorticosterone [ C21 H34 O3, db=65.74, overall=32.87, \
HMP ID=HMDB00879, KEGG ID= ]", ""}}, {1319.1475, 13.976606, "Meta"} -> 
    {{26728, 21052, 24527}, {"", ""}}, {386.3394, 13.973793, "Meta"} -> 
    {{297492, 278803, 263102}, {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, \
db=89.09, overall=44.55, KEGG ID=, CAS ID= ]", ""}}, 
   {831.6982, 13.975789, "Meta"} -> {{37008, 25804, 1}, {"", ""}}, 
   {806.668, 13.976223, "Meta"} -> {{274344, 214885, 224794}, {"", ""}}, 
   {866.6982, 13.981547, "Meta"} -> {{22074, 23128, 1}, {"", ""}}, 
   {354.2087, 13.977749, "Meta"} -> {{418811, 360936, 358286}, {"", ""}}, 
   {224.1773, 13.974033, "Meta"} -> {{31933, 11426, 17215}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=68.79, overall=34.39, \
Lipid ID=, KEGG ID= ]", ""}}, {270.2557, 13.976111, "Meta"} -> 
    {{411824, 369529, 520505}, {"10-methyl-hexadecanoic acid [ C17 H34 O2, \
db=99.62, overall=49.81, Lipid ID=, KEGG ID= ]", ""}}, 
   {1062.9073, 13.976445, "Meta"} -> {{49163, 35012, 40301}, {"", ""}}, 
   {597.4186, 13.975773, "Meta"} -> {{67691, 44634, 173033}, {"", ""}}, 
   {238.2292, 13.975834, "Meta"} -> {{228863, 213955, 276817}, 
     {"cis-11-Hexadecenal [ C16 H30 O, db=98.78, overall=49.39, KEGG ID=, CAS \
ID=53939-28-9 ]", "53939-28-9"}}, {256.2401, 13.976223, "Meta"} -> 
    {{1161266, 944970, 1331931}, {"2-propyl-tridecanoic acid [ C16 H32 O2, \
db=86.75, overall=43.37, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2322, 13.97861, "Meta"} -> {{214566, 205014, 175987}, {"", ""}}, 
   {386.2337, 13.980557, "Meta"} -> {{16208, 20575, 1}, 
     {"1-tridecanoyl-sn-glycero-3-phosphate [ C16 H37 N O7 P, db=38.62, \
overall=19.31, KEGG ID=, CAS ID= ]", ""}}, {568.3997, 13.977068, "Meta"} -> 
    {{71881, 1, 1}, {"1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphate \
(ammonium salt) [ C28 H59 N O8 P, db=52.38, overall=26.19, KEGG ID=, CAS ID= \
]", ""}}, {374.1813, 13.978594, "Meta"} -> {{31822, 36537, 22336}, 
     {"Glu Asn Leu [ C15 H26 N4 O7, db=57.08, overall=28.54 ]", ""}}, 
   {401.2, 13.978515, "Meta"} -> {{149548, 103151, 99531}, {"", ""}}, 
   {429.2065, 13.981425, "Meta"} -> {{72514, 60232, 40285}, {"", ""}}, 
   {444.2765, 13.977774, "Meta"} -> {{38977, 47262, 43903}, {"", ""}}, 
   {610.4531, 13.979807, "Meta"} -> {{233150, 247515, 199090}, {"", ""}}, 
   {897.0775, 13.963102, "Meta"} -> {{47865, 33008, 24066}, {"", ""}}, 
   {420.3661, 13.976656, "Meta"} -> {{27422, 27892, 37102}, {"", ""}}, 
   {294.1873, 13.977543, "Meta"} -> {{42574, 46229, 71137}, 
     {"Sodium tetradecyl sulfate [ C14 H30 O4 S, db=82.16, overall=41.08, \
KEGG ID=, CAS ID=139-88-8 ]", "139-88-8"}}, {556.3739, 13.973735, "Meta"} -> 
    {{1, 263812, 309549}, {"", ""}}, {540.3787, 13.981038, "Meta"} -> 
    {{310264, 185938, 1}, {"", ""}}, {500.3862, 13.978946, "Meta"} -> 
    {{228204, 179830, 148687}, {"", ""}}, {1838.1816, 13.978887, "Meta"} -> 
    {{46708, 46456, 1}, {"", ""}}, {273.2666, 13.976639, "Meta"} -> 
    {{68804, 55129, 105603}, {"C16 Sphinganine [ C16 H35 N O2, db=89.23, \
overall=44.61, Lipid ID=LMSP01040001, KEGG ID= ]", ""}}, 
   {370.2578, 13.982139, "Meta"} -> {{71297, 52049, 60607}, {"", ""}}, 
   {470.3612, 13.984445, "Meta"} -> {{189705, 124561, 212343}, {"", ""}}, 
   {307.287, 13.978666, "Meta"} -> {{52414, 42890, 78378}, {"", ""}}, 
   {369.1855, 13.979225, "Meta"} -> {{59933, 42477, 42027}, {"", ""}}, 
   {520.4126, 13.9819145, "Meta"} -> {{678375, 550935, 472091}, {"", ""}}, 
   {560.4047, 13.986311, "Meta"} -> {{347419, 312036, 227721}, {"", ""}}, 
   {685.3513, 13.989969, "Meta"} -> {{14273, 14884, 56901}, {"", ""}}, 
   {600.436, 13.992064, "Meta"} -> {{135913, 65270, 63173}, {"", ""}}, 
   {276.2085, 13.992001, "Meta"} -> {{86186, 51694, 65920}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=76.40, overall=38.20, Lipid \
ID=, KEGG ID= ]", ""}}, {294.2182, 13.990687, "Meta"} -> 
    {{58257, 56148, 51094}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, \
db=70.71, overall=35.35, Lipid ID=, KEGG ID= ]", ""}}, 
   {486.3319, 13.971826, "Meta"} -> {{342388, 307765, 233534}, {"", ""}}, 
   {1764.1438, 14.027258, "Meta"} -> {{72702, 55960, 131805}, {"", ""}}, 
   {306.2556, 13.999083, "Meta"} -> {{501784, 406598, 407626}, 
     {"ETrE(11Z, 14Z, 17Z) [ C20 H34 O2, db=67.35, overall=33.67, Lipid \
ID=LMFA01030378, KEGG ID= ]", ""}}, {507.3694, 13.993544, "Meta"} -> 
    {{792454, 524717, 2437563}, {"", ""}}, {323.2821, 13.996278, "Meta"} -> 
    {{223869, 154578, 255184}, {"(9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-die\
namide [ C20 H37 N O2, db=99.15, overall=49.57, KEGG ID=, CAS ID= ]", ""}}, 
   {490.3655, 14.002969, "Meta"} -> {{428215, 894060, 820131}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=61.55, \
overall=30.77, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {362.1752, 14.002638, "Meta"} -> {{58516, 43100, 31494}, 
     {"Met Gly Arg [ C13 H26 N6 O4 S, db=56.03, overall=28.02 ]", ""}}, 
   {360.2646, 14.006222, "Meta"} -> {{1, 1, 63743}, 
     {"1alpha,23-dihydroxy-24,25,26,27-tetranorvitamin D3 / \
1alpha,23-dihydroxy-24,25,26,27-tetranorcholeca [ C23 H36 O3, db=49.92, \
overall=24.96, Lipid ID=LMST03020020, KEGG ID= ]", ""}}, 
   {627.5055, 14.012999, "Meta"} -> {{31846, 29328, 39639}, {"", ""}}, 
   {388.2586, 14.0047655, "Meta"} -> {{21172, 17060, 1}, 
     {"7,12-Dioxo-5beta-cholan-24-oic Acid [ C24 H36 O4, db=55.81, \
overall=27.91, Lipid ID=, KEGG ID= ]", ""}}, {472.3551, 13.985233, "Meta"} -> 
    {{80918, 1, 1}, {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehydro-23-ox\
avitamin D3 / 26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=61.77, \
overall=30.89, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {420.3237, 13.996353, "Meta"} -> {{404486, 1, 86710}, 
     {"1alpha,2alpha,25-trihydroxy-19-norvitamin D3 / \
1alpha,2alpha,25-trihydroxy-19-norcholecalciferolchol [ C26 H44 O4, db=77.07, \
overall=38.53, Lipid ID=LMST03020547, KEGG ID= ]", ""}}, 
   {512.3477, 14.046452, "Meta"} -> {{500980, 365698, 339433}, 
     {"ZK 159222 [ C32 H48 O5, db=50.94, overall=25.47, Lipid \
ID=LMST03020621, KEGG ID= ]", ""}}, {545.3171, 14.010888, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {469.2862, 14.021042, "Meta"} -> 
    {{37311, 27119, 26755}, {"", ""}}, {259.2508, 14.031133, "Meta"} -> 
    {{1, 1, 84165}, {"", ""}}, {242.2245, 14.033613, "Meta"} -> 
    {{159630, 252301, 1050548}, {"Isopentadecylic acid [ C15 H30 O2, \
db=99.40, overall=49.70, KEGG ID=, CAS ID= ]", ""}}, 
   {295.2873, 14.061223, "Meta"} -> {{1, 36091, 131435}, {"", ""}}, 
   {408.1761, 14.037353, "Meta"} -> {{4815081, 4974364, 3888230}, 
     {"Trp Gly Phe [ C22 H24 N4 O4, db=41.37, overall=20.69 ]", ""}}, 
   {298.2508, 14.035623, "Meta"} -> {{1, 1, 41785}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=71.18, overall=35.59, \
Lipid ID=, KEGG ID= ]", ""}}, {454.3265, 13.978308, "Meta"} -> 
    {{179602, 208020, 125307}, {"GPCho(O-7:0/O-7:0) [ C22 H49 N O6 P, \
db=80.05, overall=40.03, Lipid ID=LMGP01040080, KEGG ID= ]", ""}}, 
   {449.3718, 14.041364, "Meta"} -> {{1, 1, 598147}, {"", ""}}, 
   {171.108, 14.037002, "Meta"} -> {{503791, 517123, 538946}, {"", ""}}, 
   {353.3292, 14.065957, "Meta"} -> {{1, 1, 23323}, 
     {"(Z)-N-(2-hydroxyethyl)icos-11-enamide [ C22 H43 N O2, db=53.55, \
overall=26.77, KEGG ID=, CAS ID= ]", ""}}, {358.3083, 14.061032, "Meta"} -> 
    {{266385, 1, 1980793}, {"1-octadecanoyl-rac-glycerol [ C21 H42 O4, \
db=91.49, overall=45.75, KEGG ID=, CAS ID= ]", ""}}, 
   {534.3899, 14.062283, "Meta"} -> {{1209824, 1090202, 783340}, {"", ""}}, 
   {1218.8057, 14.057057, "Meta"} -> {{271975, 516105, 344680}, {"", ""}}, 
   {642.91, 14.060259, "Meta"} -> {{110106, 108506, 1}, {"", ""}}, 
   {1186.8503, 14.059189, "Meta"} -> {{329180, 288949, 1}, {"", ""}}, 
   {1103.753, 14.057482, "Meta"} -> {{255498, 239933, 217170}, {"", ""}}, 
   {1169.8226, 14.057669, "Meta"} -> {{927339, 863551, 829453}, {"", ""}}, 
   {1262.8317, 14.057412, "Meta"} -> {{215641, 238501, 168017}, 
     {"Ganglioside GM3 (d18:1/24:1(15Z)) [ C65 H118 N2 O21, db=64.86, \
overall=32.43, HMP ID=HMDB04848, KEGG ID= ]", ""}}, 
   {1152.795, 14.05788, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1064.743, 14.0559025, "Meta"} -> {{296974, 313888, 138082}, {"", ""}}, 
   {1213.8492, 14.058307, "Meta"} -> {{377288, 375563, 923744}, {"", ""}}, 
   {1020.7168, 14.055375, "Meta"} -> {{299607, 288994, 1}, {"", ""}}, 
   {507.8499, 14.0589695, "Meta"} -> {{48880, 48984, 45031}, {"", ""}}, 
   {1125.7968, 14.0580015, "Meta"} -> {{933552, 903985, 1}, {"", ""}}, 
   {1108.7697, 14.056641, "Meta"} -> {{1, 24366, 1}, {"", ""}}, 
   {485.8368, 14.06136, "Meta"} -> {{18901, 16554, 17707}, {"", ""}}, 
   {1230.8765, 14.069205, "Meta"} -> {{425627, 341113, 556299}, {"", ""}}, 
   {1306.8593, 14.060386, "Meta"} -> {{587999, 569522, 159815}, {"", ""}}, 
   {1318.9282, 14.062551, "Meta"} -> {{467881, 1, 1}, {"", ""}}, 
   {1257.8752, 14.0591755, "Meta"} -> {{191136, 175229, 902359}, {"", ""}}, 
   {1037.7437, 14.060363, "Meta"} -> {{290408, 264943, 383422}, {"", ""}}, 
   {1054.7722, 14.059851, "Meta"} -> {{88187, 108476, 122493}, {"", ""}}, 
   {1350.8864, 14.060532, "Meta"} -> {{538126, 490376, 125532}, {"", ""}}, 
   {1362.9545, 14.064612, "Meta"} -> {{470359, 1, 642876}, {"", ""}}, 
   {1389.9536, 14.06309, "Meta"} -> {{1, 776755, 1}, {"", ""}}, 
   {1142.8239, 14.061389, "Meta"} -> {{246311, 229949, 370183}, {"", ""}}, 
   {976.6912, 14.068707, "Meta"} -> {{38442, 264557, 151701}, {"", ""}}, 
   {422.375, 14.068999, "Meta"} -> {{24154, 22986, 27848}, {"", ""}}, 
   {993.7174, 14.063914, "Meta"} -> {{276478, 257096, 251166}, {"", ""}}, 
   {1438.9374, 14.065999, "Meta"} -> {{97265, 391272, 55093}, {"", ""}}, 
   {1433.9799, 14.066055, "Meta"} -> {{723510, 742735, 133371}, {"", ""}}, 
   {949.6916, 14.066196, "Meta"} -> {{187328, 175543, 239321}, {"", ""}}, 
   {1451.0062, 14.068264, "Meta"} -> {{384252, 350096, 654834}, {"", ""}}, 
   {932.6646, 14.065879, "Meta"} -> {{194714, 229305, 108598}, {"", ""}}, 
   {470.2924, 14.073814, "Meta"} -> {{80956, 90207, 53836}, {"", ""}}, 
   {905.6649, 14.069608, "Meta"} -> {{146743, 130440, 26551}, {"", ""}}, 
   {1522.0323, 14.071529, "Meta"} -> {{94605, 541388, 1}, {"", ""}}, 
   {888.6409, 14.076768, "Meta"} -> {{107590, 109418, 282484}, {"", ""}}, 
   {1482.9642, 14.067459, "Meta"} -> {{359452, 346662, 36655}, {"", ""}}, 
   {1174.7784, 14.05864, "Meta"} -> {{65723, 289155, 206570}, {"", ""}}, 
   {1526.9904, 14.071257, "Meta"} -> {{1, 45283, 1}, {"", ""}}, 
   {1495.0323, 14.071646, "Meta"} -> {{389260, 320676, 549685}, {"", ""}}, 
   {861.6387, 14.075389, "Meta"} -> {{64565, 53156, 102184}, {"", ""}}, 
   {405.3454, 14.078472, "Meta"} -> {{26311, 1, 146862}, {"", ""}}, 
   {316.2402, 14.079582, "Meta"} -> {{3477737, 3741898, 5099818}, 
     {"pregnenolone [ C21 H32 O2, db=98.88, overall=49.44, KEGG ID=, CAS \
ID=1852-38-6 ]", "1852-38-6"}}, {376.2724, 14.080198, "Meta"} -> 
    {{551292, 662532, 1}, {"", ""}}, {284.2138, 14.07936, "Meta"} -> 
    {{63580, 55807, 127885}, {"11-cis-Retinaldehyde [ C20 H28 O, db=83.12, \
overall=41.56, HMP ID=HMDB02152, KEGG ID= ]", ""}}, 
   {333.2666, 14.079747, "Meta"} -> {{3230591, 3082772, 5638061}, {"", ""}}, 
   {805.0406, 14.07626, "Meta"} -> {{27271, 30804, 1}, {"", ""}}, 
   {529.4339, 14.081344, "Meta"} -> {{67839, 49015, 77009}, {"", ""}}, 
   {1632.0676, 14.078387, "Meta"} -> {{345604, 296436, 1}, {"", ""}}, 
   {1583.085, 14.078301, "Meta"} -> {{286127, 254547, 1}, {"", ""}}, 
   {1627.1108, 14.078733, "Meta"} -> {{234211, 220922, 1}, {"", ""}}, 
   {1676.0933, 14.06074, "Meta"} -> {{264316, 57292, 1}, {"", ""}}, 
   {1715.1598, 14.067248, "Meta"} -> {{141453, 126312, 292033}, {"", ""}}, 
   {948.6653, 14.082221, "Meta"} -> {{92121, 82814, 1}, {"", ""}}, 
   {264.2448, 14.087555, "Meta"} -> {{100624, 84415, 85914}, 
     {"9,12-octadecadienal [ C18 H32 O, db=69.08, overall=34.54, Lipid ID=, \
KEGG ID= ]", ""}}, {1813.1312, 14.077153, "Meta"} -> 
    {{66251, 54329, 50743}, {"", ""}}, {546.5012, 14.088577, "Meta"} -> 
    {{27832, 21631, 18602}, {"", ""}}, {367.1936, 14.089778, "Meta"} -> 
    {{75998, 49928, 1}, {"N-Desethylquinagolide [ C18 H29 N3 O3 S, db=63.48, \
overall=31.74, KEGG ID=, CAS ID= ]", ""}}, {602.4589, 14.089057, "Meta"} -> 
    {{752313, 603163, 424893}, {"", ""}}, {1808.1718, 14.068594, "Meta"} -> 
    {{110043, 111977, 83552}, {"", ""}}, {884.7153, 14.088696, "Meta"} -> 
    {{221025, 185356, 135106}, {"", ""}}, {380.2247, 14.088887, "Meta"} -> 
    {{684822, 632131, 427955}, {"", ""}}, {282.2564, 14.088139, "Meta"} -> 
    {{2731189, 2436879, 1062840}, {"5-octadecylenic acid [ C18 H34 O2, \
db=98.70, overall=49.35, Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, 
   {486.3322, 14.0887165, "Meta"} -> {{902896, 828793, 1}, {"", ""}}, 
   {868.7374, 14.088824, "Meta"} -> {{44019, 31957, 24668}, {"", ""}}, 
   {299.2823, 14.088805, "Meta"} -> {{443191, 319991, 519879}, 
     {"3-Dehydrosphinganine [ C18 H37 N O2, db=99.55, overall=49.78, KEGG \
ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {338.1754, 14.0895, "Meta"} -> {{156528, 1, 1}, {"2,3-Dinor-6,15-diketo-13\
,14-dihydro-PGF1a [ C18 H26 O6, db=42.53, overall=21.26, KEGG ID=, CAS ID= ]"\
, ""}}, {586.4805, 14.089943, "Meta"} -> {{55307, 71003, 33786}, 
     {"3',4'-Dihydrorhodovibrin [ C41 H62 O2, db=20.76, overall=10.38, Lipid \
ID=LMPR01070139, KEGG ID= ]", ""}}, {440.2498, 14.08963, "Meta"} -> 
    {{115373, 1, 60920}, {"", ""}}, {404.1936, 14.090585, "Meta"} -> 
    {{1, 1, 21859}, 
     {"Lys Glu Glu [ C16 H28 N4 O8, db=45.07, overall=22.53 ]", ""}}, 
   {398.202, 14.090389, "Meta"} -> {{202565, 164542, 93230}, 
     {"His Arg Ser [ C15 H26 N8 O5, db=43.07, overall=21.53 ]", ""}}, 
   {395.1929, 14.089863, "Meta"} -> {{254124, 175995, 88877}, {"", ""}}, 
   {1720.1184, 14.061962, "Meta"} -> {{212811, 183258, 1}, {"", ""}}, 
   {434.3862, 14.09189, "Meta"} -> {{76809, 72220, 54906}, {"", ""}}, 
   {320.2035, 14.088819, "Meta"} -> {{103186, 1, 55996}, {"", ""}}, 
   {357.2667, 14.066502, "Meta"} -> {{39235, 43181, 96408}, {"", ""}}, 
   {1803.2148, 14.080516, "Meta"} -> {{71689, 72206, 107153}, {"", ""}}, 
   {1847.2441, 14.088383, "Meta"} -> {{39678, 40757, 48675}, {"", ""}}, 
   {1852.1967, 14.0926, "Meta"} -> {{91784, 71356, 1}, {"", ""}}, 
   {1896.2227, 14.094833, "Meta"} -> {{1, 49590, 1}, {"", ""}}, 
   {662.4873, 14.106453, "Meta"} -> {{199043, 211071, 65424}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaeno\
yl)-sn-glycerol [ C43 H66 O5, db=68.73, overall=34.37, KEGG ID=, CAS ID= ]", 
      ""}}, {498.3687, 14.089807, "Meta"} -> {{40114, 55900, 1}, 
     {"(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a,24\
b,24c-trihomo-20-epivitamin D3 [ C32 H50 O4, db=49.58, overall=24.79, Lipid \
ID=LMST03020516, KEGG ID= ]", ""}}, {509.3843, 14.0923605, "Meta"} -> 
    {{1220100, 1028904, 8513883}, {"", ""}}, {466.3657, 14.105546, "Meta"} -> 
    {{1120149, 1119987, 433512}, {"6alpha-Hydroxycastasterone [ C28 H50 O5, \
db=82.12, overall=41.06, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {292.2399, 14.107418, "Meta"} -> {{316061, 340378, 717706}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=85.29, overall=42.65, \
HMP ID=HMDB00412, KEGG ID= ]", ""}}, {580.4317, 14.10757, "Meta"} -> 
    {{135687, 136786, 109915}, {"GPCho(O-18:0/4:0) [ C30 H63 N O7 P, \
db=63.24, overall=31.62, Lipid ID=LMGP01020116, KEGG ID= ]", ""}}, 
   {352.2723, 14.1108885, "Meta"} -> {{133968, 159725, 186287}, {"", ""}}, 
   {309.2668, 14.111446, "Meta"} -> {{610083, 593216, 907137}, 
     {"Dicyclomine [ C19 H35 N O2, db=99.35, overall=49.67, KEGG ID=C06951, \
CAS ID=77-19-0 ]", "77-19-0"}}, {222.1617, 14.1038265, "Meta"} -> 
    {{790025, 326398, 484416}, {"", ""}}, {960.7672, 14.101361, "Meta"} -> 
    {{42474, 40796, 124903}, {"", ""}}, {499.2963, 14.121678, "Meta"} -> 
    {{340759, 180070, 145591}, {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, \
db=89.57, overall=44.79, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {484.378, 14.105919, "Meta"} -> {{66930, 49118, 1}, {"", ""}}, 
   {420.3042, 14.12719, "Meta"} -> {{1, 1, 258412}, 
     {"3D,7D,11D-Phytanic acid [ C29 H40 O2, db=55.51, overall=27.76, HMP \
ID=HMDB00417, KEGG ID= ]", ""}}, {696.4838, 14.114749, "Meta"} -> 
    {{39602, 61987, 144160}, {"", ""}}, {514.423, 14.141911, "Meta"} -> 
    {{83366, 70149, 72199}, {"", ""}}, {678.511, 14.121193, "Meta"} -> 
    {{89133, 97392, 217426}, {"GPCho(14:0/14:0[U]) [ C36 H73 N O8 P, \
db=73.61, overall=36.81, Lipid ID=LMGP01010478, KEGG ID= ]", ""}}, 
   {895.5533, 14.136167, "Meta"} -> {{36610, 1, 62944}, {"", ""}}, 
   {422.34, 14.145611, "Meta"} -> {{561821, 527487, 87177}, {"", ""}}, 
   {340.298, 14.148811, "Meta"} -> {{1, 1, 1253208}, 
     {"20-oxo-heneicosanoic acid [ C21 H40 O3, db=96.35, overall=48.18, Lipid \
ID=, KEGG ID= ]", ""}}, {352.334, 14.145808, "Meta"} -> 
    {{65649, 57459, 66864}, {"14Z-tricosenoic acid [ C23 H44 O2, db=81.01, \
overall=40.50, Lipid ID=, KEGG ID= ]", ""}}, 
   {1036.8195, 14.135778, "Meta"} -> {{22334, 33229, 177787}, {"", ""}}, 
   {741.6305, 14.144343, "Meta"} -> {{43812, 70254, 1437167}, {"", ""}}, 
   {384.3049, 14.142907, "Meta"} -> {{170384, 144203, 40701}, {"", ""}}, 
   {403.3659, 14.148665, "Meta"} -> {{1, 1, 357943}, {"", ""}}, 
   {772.5821, 14.131801, "Meta"} -> {{31574, 41557, 68830}, 
     {"GPCho(16:0/19:2(9Z,12Z)[U]) [ C43 H83 N O8 P, db=73.13, overall=36.57, \
Lipid ID=LMGP01010610, KEGG ID= ]", ""}}, {764.5958, 14.144802, "Meta"} -> 
    {{37690, 46876, 162794}, {"", ""}}, {1054.792, 14.132248, "Meta"} -> 
    {{21065, 19663, 74005}, {"", ""}}, {266.2608, 14.148749, "Meta"} -> 
    {{52431, 62876, 413802}, {"3E,13Z-octadecadien-1-ol [ C18 H34 O, \
db=97.90, overall=48.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {375.3339, 14.148222, "Meta"} -> {{935309, 1085063, 8816793}, {"", ""}}, 
   {358.3078, 14.148471, "Meta"} -> {{5628435, 6985864, 4.18*^7}, 
     {"1-octadecanoyl-rac-glycerol [ C21 H42 O4, db=98.40, overall=49.20, \
KEGG ID=, CAS ID= ]", ""}}, {418.3406, 14.1476965, "Meta"} -> 
    {{248344, 360127, 1420152}, {"1alpha,25-dihydroxy-2alpha-methyl-19-norvit\
amin D3 / 1alpha,25-dihydroxy-2alpha-methyl-19-norcholeca [ C27 H46 O3, \
db=67.02, overall=33.51, Lipid ID=LMST03020553, KEGG ID= ]", ""}}, 
   {639.5801, 14.147194, "Meta"} -> {{146544, 159006, 58668}, {"", ""}}, 
   {1200.9023, 14.160806, "Meta"} -> {{1, 1, 54692}, {"", ""}}, 
   {1112.877, 14.148324, "Meta"} -> {{1, 44611, 1109196}, {"", ""}}, 
   {814.5844, 14.151257, "Meta"} -> {{1, 1, 322332}, {"", ""}}, 
   {769.529, 14.1481085, "Meta"} -> {{1, 1, 196263}, {"", ""}}, 
   {1471.1823, 14.148783, "Meta"} -> {{1, 1, 683104}, {"", ""}}, 
   {343.3194, 14.142917, "Meta"} -> {{116811, 141131, 127789}, {"", ""}}, 
   {527.2676, 14.149583, "Meta"} -> {{35634, 33527, 122934}, {"", ""}}, 
   {456.2764, 14.150944, "Meta"} -> {{1, 10425, 642622}, {"", ""}}, 
   {480.2429, 14.151414, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {389.3503, 14.147706, "Meta"} -> {{31216, 26858, 151980}, {"", ""}}, 
   {424.2965, 14.153561, "Meta"} -> {{62675, 66827, 58731}, 
     {"(22E,24E,26E)-1alpha,26b-dihydroxy-22,23,24,25,26,26a-hexadehydro-26a,\
26b-dihomo-27-norvitamin D3 / [ C28 H40 O3, db=44.45, overall=22.22, Lipid \
ID=LMST03020312, KEGG ID= ]", ""}}, {454.3656, 14.155731, "Meta"} -> 
    {{1, 173032, 77513}, {"", ""}}, {564.5589, 14.166798, "Meta"} -> 
    {{13652, 59274, 72790}, {"", ""}}, {426.327, 14.133777, "Meta"} -> 
    {{38852, 1, 25119}, {"", ""}}, {846.402, 14.16888, "Meta"} -> 
    {{67370, 74792, 119095}, {"", ""}}, {934.6778, 14.200471, "Meta"} -> 
    {{24650, 31402, 61367}, {"", ""}}, {466.1108, 14.175235, "Meta"} -> 
    {{1240621, 934805, 356420}, {"", ""}}, {285.267, 14.18239, "Meta"} -> 
    {{195870, 201672, 484663}, {"C17 Sphingosine [ C17 H35 N O2, db=93.80, \
overall=46.90, Lipid ID=LMSP01040002, KEGG ID= ]", ""}}, 
   {436.3163, 14.176588, "Meta"} -> {{31393, 21389, 146399}, 
     {"4,4-difluoro-1alpha-hydroxyvitamin D3 / \
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   {268.24, 14.176917, "Meta"} -> {{349164, 817560, 1770156}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=92.99, overall=46.49, Lipid \
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    {{2144592, 2031243, 1024656}, {"1alpha,25-dihydroxy-11beta-methoxyvitamin \
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   {398.3198, 14.172886, "Meta"} -> {{45160, 44529, 44396}, 
     {"(22Z)-1beta-hydroxy-22,23-didehydrovitamin D_3 / \
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   {434.2678, 14.188435, "Meta"} -> {{452834, 374092, 509253}, 
     {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, db=84.90, overall=42.45, \
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   {1364.8975, 14.194389, "Meta"} -> {{82835, 438804, 89190}, 
     {"Ganglioside GA1 (d18:1/26:1(17Z)) [ C70 H128 N2 O23, db=75.48, \
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   {1447.9952, 14.192001, "Meta"} -> {{743758, 683645, 133499}, {"", ""}}, 
   {1492.0217, 14.194573, "Meta"} -> {{655575, 648254, 50059}, {"", ""}}, 
   {412.2971, 14.195, "Meta"} -> {{161725, 143668, 91842}, 
     {"Calcipotriene [ C27 H40 O3, db=80.60, overall=40.30, KEGG ID=, CAS \
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    {{61717, 322282, 73871}, {"", ""}}, {1420.9965, 14.197917, "Meta"} -> 
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    {{33639, 90391, 33047}, {"", ""}}, {649.9173, 14.20141, "Meta"} -> 
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    {{108393, 81216, 36428}, {"GPGro(16:0/0:0)[U] [ C22 H45 O9 P, db=38.98, \
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   {1690.1084, 14.19928, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1739.0945, 14.198658, "Meta"} -> {{152384, 143405, 82985}, {"", ""}}, 
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   {1288.9185, 14.196689, "Meta"} -> {{302858, 1, 1}, {"", ""}}, 
   {1871.1737, 14.199768, "Meta"} -> {{59518, 59507, 42688}, {"", ""}}, 
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   {406.3804, 14.209417, "Meta"} -> {{33215, 29229, 48997}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=79.02, \
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    {{191153, 141106, 259997}, {"", ""}}, {488.3482, 14.211999, "Meta"} -> 
    {{467863, 1, 249178}, {"", ""}}, {1100.7411, 14.209909, "Meta"} -> 
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    {{1399012, 1148059, 1.26*^7}, {"Stearamide [ C18 H37 N O, db=96.78, \
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   {1051.7598, 14.215641, "Meta"} -> {{110088, 121649, 131423}, {"", ""}}, 
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   {1022.7088, 14.223097, "Meta"} -> {{72607, 52708, 72418}, {"", ""}}, 
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   {1007.7326, 14.221612, "Meta"} -> {{96353, 97018, 114938}, {"", ""}}, 
   {518.3967, 14.2736025, "Meta"} -> {{297734, 246690, 181276}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=61.50, \
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   {1885.1884, 14.293885, "Meta"} -> {{45290, 101220, 1}, {"", ""}}, 
   {325.2996, 14.210102, "Meta"} -> {{18483, 10340, 18493}, 
     {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, db=43.24, overall=21.62, \
KEGG ID=, CAS ID= ]", ""}}, {612.4955, 14.216895, "Meta"} -> 
    {{267163, 1, 52752}, {"", ""}}, {624.5072, 14.226657, "Meta"} -> 
    {{180077, 185180, 202650}, {"", ""}}, {538.3636, 14.237194, "Meta"} -> 
    {{797252, 241346, 730142}, {"", ""}}, {308.2716, 14.231286, "Meta"} -> 
    {{34671, 29173, 46853}, {"5,11-Eicosadienoic acid [ C20 H36 O2, db=81.25, \
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    {{88624, 93551, 112142}, {"beta-eleostearic acid [ C18 H30 O2, db=83.37, \
overall=41.68, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {963.7065, 14.228668, "Meta"} -> {{51626, 50964, 58798}, {"", ""}}, 
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   {538.4231, 14.239277, "Meta"} -> {{893788, 903600, 2832844}, 
     {"GPCho(O-16:0/O-4:0[U]) [ C28 H61 N O6 P, db=76.53, overall=38.26, \
Lipid ID=LMGP01040044, KEGG ID= ]", ""}}, {520.413, 14.242222, "Meta"} -> 
    {{2038511, 1716882, 1210708}, {"", ""}}, {647.3629, 14.24356, "Meta"} -> 
    {{32429, 35412, 24301}, {"", ""}}, {591.3425, 14.248113, "Meta"} -> 
    {{84925, 70541, 1}, {"", ""}}, {636.3988, 14.250115, "Meta"} -> 
    {{99297, 1, 1}, {"", ""}}, {1098.8239, 14.252852, "Meta"} -> 
    {{176237, 116739, 148137}, {"", ""}}, {594.3456, 14.25331, "Meta"} -> 
    {{155852, 101326, 54349}, {"L-Urobilin [ C33 H46 N4 O6, db=35.51, \
overall=17.75, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {256.24, 14.260359, "Meta"} -> {{32423, 35096, 137942}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=78.64, overall=39.32, Lipid \
ID=, KEGG ID= ]", ""}}, {387.3139, 14.260241, "Meta"} -> 
    {{1, 51276, 105910}, {"", ""}}, {373.2977, 14.262173, "Meta"} -> 
    {{67562, 65903, 125140}, {"Arachidonoylmorpholine [ C24 H39 N O2, \
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   {227.1883, 14.25888, "Meta"} -> {{16982, 1, 1}, {"", ""}}, 
   {310.2297, 14.267167, "Meta"} -> {{1, 1, 137832}, 
     {"Desogestrel [ C22 H30 O, db=87.12, overall=43.56, KEGG ID=, CAS \
ID=54024-22-5 ]", "54024-22-5"}}, {402.2882, 14.268779, "Meta"} -> 
    {{712184, 927747, 1637900}, {"", ""}}, {359.2815, 14.267722, "Meta"} -> 
    {{5762651, 5777452, 1.59*^7}, {"", ""}}, {272.1768, 14.267366, "Meta"} -> 
    {{1, 1, 33188}, {"5,8,11-octadecatriynoic acid [ C18 H24 O2, db=55.08, \
overall=27.54, Lipid ID=, KEGG ID= ]", ""}}, {390.3498, 14.261562, "Meta"} -> 
    {{34018, 33471, 32530}, {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, \
db=62.19, overall=31.10, Lipid ID=, KEGG ID= ]", ""}}, 
   {440.2236, 14.264084, "Meta"} -> {{36511, 38778, 41272}, {"", ""}}, 
   {458.1971, 14.265822, "Meta"} -> {{17827, 15932, 18283}, {"", ""}}, 
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   {698.4571, 14.2792225, "Meta"} -> {{25711, 25887, 35014}, {"", ""}}, 
   {1016.7246, 14.284067, "Meta"} -> {{48672, 52154, 1}, {"", ""}}, 
   {234.1617, 14.2904, "Meta"} -> {{38099, 39953, 733344}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=69.61, overall=34.81, Lipid \
ID=LMST03020448, KEGG ID= ]", ""}}, {416.2236, 14.286627, "Meta"} -> 
    {{80676, 82732, 57671}, {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 \
H32 O6, db=73.66, overall=36.83, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {134.1094, 14.287377, "Meta"} -> {{1, 136743, 280467}, 
     {"p-Cymene [ C10 H14, db=86.48, overall=43.24, Lipid ID=LMPR01020045, \
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    {{60139, 63446, 121135}, {"Anandamide (20:3, n-3) [ C22 H39 N O2, \
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   {378.288, 14.29039, "Meta"} -> {{603621, 822152, 1308465}, {"", ""}}, 
   {1116.8062, 14.30288, "Meta"} -> {{131585, 165274, 156351}, {"", ""}}, 
   {286.2294, 14.290941, "Meta"} -> {{285187, 314942, 597128}, 
     {"11-cis-Retinol [ C20 H30 O, db=99.50, overall=49.75, Lipid \
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    {{1.05*^7, 1.13*^7, 6883265}, {"Allopregnanolone [ C21 H34 O2, db=64.02, \
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   {1310.9695, 14.290519, "Meta"} -> {{20345, 15379, 1}, {"", ""}}, 
   {434.1969, 14.290781, "Meta"} -> {{39447, 27368, 23238}, 
     {"Trp Met Val [ C21 H30 N4 O4 S, db=56.25, overall=28.12 ]", ""}}, 
   {335.2815, 14.294109, "Meta"} -> {{6401763, 6646809, 1.5*^7}, {"", ""}}, 
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   {1963.3293, 14.298726, "Meta"} -> {{62160, 1, 56294}, {"", ""}}, 
   {577.3202, 14.3007145, "Meta"} -> {{33272, 28947, 27496}, 
     {"dihydro-alpha-ergocryptine [ C32 H43 N5 O5, db=34.25, overall=17.13, \
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    {{55050, 67459, 36606}, {"TG(22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z\
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    {{1, 1, 40398}, {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-dide\
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   {1880.2303, 14.295215, "Meta"} -> {{86988, 140930, 90464}, {"", ""}}, 
   {562.4212, 14.302342, "Meta"} -> {{2344287, 3361575, 2744752}, {"", ""}}, 
   {952.666, 14.2989645, "Meta"} -> {{1, 53037, 1}, {"", ""}}, 
   {366.3494, 14.30147, "Meta"} -> {{17586, 14297, 26090}, 
     {"Nervonic acid [ C24 H46 O2, db=79.78, overall=39.89, KEGG ID=, CAS \
ID=506-37-6 ]", "506-37-6"}}, {484.287, 14.291407, "Meta"} -> 
    {{59941, 45397, 35676}, {"", ""}}, {661.7696, 14.304938, "Meta"} -> 
    {{42520, 49071, 1}, {"", ""}}, {1836.2034, 14.306453, "Meta"} -> 
    {{153899, 168043, 126824}, {"", ""}}, {634.0719, 14.305877, "Meta"} -> 
    {{43056, 31992, 35649}, {"", ""}}, {603.0685, 14.306771, "Meta"} -> 
    {{56036, 63536, 48028}, {"", ""}}, {604.7206, 14.3060255, "Meta"} -> 
    {{46053, 40545, 31011}, {"", ""}}, {1748.1512, 14.302379, "Meta"} -> 
    {{289641, 268368, 19249}, {"", ""}}, {573.7178, 14.306849, "Meta"} -> 
    {{50146, 40340, 39019}, {"", ""}}, {1792.1765, 14.2968, "Meta"} -> 
    {{189308, 147808, 1}, {"", ""}}, {60.0325, 14.311346, "Meta"} -> 
    {{1, 239257, 469959}, {"Urea [ C H4 N2 O, db=87.29, overall=43.65, KEGG \
ID=C00086, CAS ID=57-13-6 ]", "57-13-6"}}, {968.7169, 14.309335, "Meta"} -> 
    {{57887, 51617, 93406}, {"", ""}}, {1787.222, 14.30246, "Meta"} -> 
    {{113897, 143553, 1}, {"", ""}}, {559.0424, 14.307241, "Meta"} -> 
    {{34308, 37748, 26306}, {"", ""}}, {590.0455, 14.306272, "Meta"} -> 
    {{36710, 39407, 28285}, {"", ""}}, {1831.2483, 14.304244, "Meta"} -> 
    {{118263, 121657, 112866}, {"", ""}}, {1743.1947, 14.307287, "Meta"} -> 
    {{194998, 180215, 1}, {"", ""}}, {647.0946, 14.304667, "Meta"} -> 
    {{41809, 45160, 48773}, {"", ""}}, {1699.1694, 14.298276, "Meta"} -> 
    {{232436, 210754, 67379}, {"", ""}}, {630.768, 14.307372, "Meta"} -> 
    {{1, 56565, 68640}, {"", ""}}, {1665.057, 14.310457, "Meta"} -> 
    {{199695, 195757, 198938}, {"", ""}}, {2012.3074, 14.281552, "Meta"} -> 
    {{82723, 69996, 71259}, {"", ""}}, {1924.2563, 14.306934, "Meta"} -> 
    {{49854, 65304, 51165}, {"", ""}}, {1616.0728, 14.3115015, "Meta"} -> 
    {{393558, 372094, 372287}, {"", ""}}, {1875.2738, 14.2969675, "Meta"} -> 
    {{67216, 82905, 54680}, {"", ""}}, {1550.0645, 14.311656, "Meta"} -> 
    {{56508, 40071, 1}, {"", ""}}, {648.7473, 14.305516, "Meta"} -> 
    {{38724, 1, 41259}, {"", ""}}, {1523.0645, 14.315276, "Meta"} -> 
    {{322763, 308723, 1}, {"", ""}}, {1506.0385, 14.314786, "Meta"} -> 
    {{63316, 507326, 451016}, {"", ""}}, {1462.0117, 14.3143835, "Meta"} -> 
    {{570075, 1, 1}, {"", ""}}, {298.2506, 14.321658, "Meta"} -> 
    {{104143, 115565, 178488}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=73.00, overall=36.50, Lipid ID=, KEGG ID= ]", ""}}, 
   {650.4595, 14.318721, "Meta"} -> {{24044, 24447, 27229}, {"", ""}}, 
   {1435.0125, 14.319297, "Meta"} -> {{301429, 306337, 1}, {"", ""}}, 
   {152.1198, 14.325621, "Meta"} -> {{1, 28375, 31777}, 
     {"Limonene-1,2-epoxide [ C10 H16 O, db=71.21, overall=35.61, Lipid \
ID=LMPR01020046, KEGG ID=C07271 ]", ""}}, {1417.9856, 14.31611, "Meta"} -> 
    {{548958, 80614, 1}, {"", ""}}, {596.3593, 14.318885, "Meta"} -> 
    {{123861, 125559, 77170}, {"", ""}}, {1373.9594, 14.321887, "Meta"} -> 
    {{559972, 519974, 486326}, {"", ""}}, {944.712, 14.3222, "Meta"} -> 
    {{77614, 99241, 116498}, {"", ""}}, {196.1459, 14.323223, "Meta"} -> 
    {{14145, 1, 30732}, {"4-dodecynoic acid [ C12 H20 O2, db=55.50, \
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   {1329.9312, 14.326601, "Meta"} -> {{481412, 474647, 76178}, {"", ""}}, 
   {1346.9602, 14.32572, "Meta"} -> {{255675, 251068, 311126}, {"", ""}}, 
   {626.4591, 14.3310995, "Meta"} -> {{100975, 27577, 27997}, {"", ""}}, 
   {244.2189, 14.325999, "Meta"} -> {{70218, 75666, 153537}, {"", ""}}, 
   {325.2979, 14.328285, "Meta"} -> {{39877, 34193, 71933}, 
     {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, db=68.35, overall=34.18, \
KEGG ID=, CAS ID= ]", ""}}, {294.2551, 14.3272505, "Meta"} -> 
    {{8823564, 9473745, 7707759}, {"Sterculic acid [ C19 H34 O2, db=82.34, \
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   {262.2296, 14.327582, "Meta"} -> {{285995, 319912, 637520}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=81.28, overall=40.64, Lipid \
ID=, KEGG ID= ]", ""}}, {238.1927, 14.326264, "Meta"} -> 
    {{13256, 17881, 32045}, {"3-pentadecynoic acid [ C15 H26 O2, db=57.86, \
overall=28.93, Lipid ID=, KEGG ID= ]", ""}}, {392.2238, 14.332555, "Meta"} -> 
    {{123800, 111070, 106385}, {"6b-Hydroxycortisol [ C22 H32 O6, db=57.81, \
overall=28.91, KEGG ID=, CAS ID=53-35-0 ]", "53-35-0"}}, 
   {1285.907, 14.330352, "Meta"} -> {{458759, 39500, 80041}, {"", ""}}, 
   {198.1614, 14.327666, "Meta"} -> {{24666, 46940, 46665}, 
     {"9-lauroleic acid [ C12 H22 O2, db=55.65, overall=27.83, Lipid \
ID=LMFA01030041, KEGG ID= ]", ""}}, {311.2817, 14.328415, "Meta"} -> 
    {{4123685, 4194272, 8983298}, {"", ""}}, {354.2882, 14.326629, "Meta"} -> 
    {{653952, 811577, 1411479}, {"", ""}}, {1241.8809, 14.334071, "Meta"} -> 
    {{372066, 1, 301725}, {"", ""}}, {410.1968, 14.332834, "Meta"} -> 
    {{30281, 25215, 19794}, {"", ""}}, {920.7121, 14.328693, "Meta"} -> 
    {{87530, 86773, 151848}, {"", ""}}, {372.3238, 14.330667, "Meta"} -> 
    {{1, 1, 275456}, {"13,14-dihydroxy-docosanoic acid [ C22 H44 O4, \
db=92.68, overall=46.34, Lipid ID=, KEGG ID= ]", ""}}, 
   {1180.7678, 14.332838, "Meta"} -> {{91975, 1, 95350}, {"", ""}}, 
   {1214.8828, 14.336967, "Meta"} -> {{90897, 88998, 120398}, {"", ""}}, 
   {1258.907, 14.333887, "Meta"} -> {{203257, 197829, 164149}, {"", ""}}, 
   {1170.852, 14.335778, "Meta"} -> {{231792, 100247, 258938}, {"", ""}}, 
   {1197.8549, 14.342236, "Meta"} -> {{321919, 41959, 81174}, {"", ""}}, 
   {1202.8094, 14.343749, "Meta"} -> {{65553, 50610, 30546}, {"", ""}}, 
   {1246.8376, 14.333188, "Meta"} -> {{37894, 243203, 1}, {"", ""}}, 
   {1070.7347, 14.356584, "Meta"} -> {{43350, 59000, 1}, {"", ""}}, 
   {587.9054, 14.341818, "Meta"} -> {{64182, 65138, 78073}, {"", ""}}, 
   {754.5154, 14.349834, "Meta"} -> {{1, 75599, 76831}, {"", ""}}, 
   {576.9138, 14.348359, "Meta"} -> {{114277, 1, 1}, {"", ""}}, 
   {442.4017, 14.35682, "Meta"} -> {{87459, 1, 235302}, {"", ""}}, 
   {424.3913, 14.357807, "Meta"} -> {{21199, 20290, 59550}, {"", ""}}, 
   {406.3808, 14.358058, "Meta"} -> {{21372, 20980, 56067}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=83.65, \
overall=41.82, Lipid ID=, KEGG ID= ]", ""}}, 
   {1109.8003, 14.359261, "Meta"} -> {{45252, 44914, 52606}, {"", ""}}, 
   {880.6371, 14.358142, "Meta"} -> {{22297, 1, 21937}, {"", ""}}, 
   {854.6613, 14.358676, "Meta"} -> {{15776, 15385, 44283}, {"", ""}}, 
   {802.5359, 14.362123, "Meta"} -> {{2664596, 2514964, 3382582}, {"", ""}}, 
   {390.2761, 14.363417, "Meta"} -> {{1.1*^7, 1.02*^7, 9712073}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=96.27, \
overall=48.13, Lipid ID=, KEGG ID= ]", ""}}, {166.0263, 14.363825, "Meta"} -> 
    {{60731, 52842, 1}, {"Benzoquinoneacetic acid [ C8 H6 O4, db=86.34, \
overall=43.17, HMP ID=HMDB02334, KEGG ID= ]", ""}}, 
   {506.2177, 14.361897, "Meta"} -> {{46879, 34718, 15838}, {"", ""}}, 
   {488.2453, 14.363861, "Meta"} -> {{79167, 66935, 28631}, 
     {"(3a,5b,7a,12a)-3,7-dihydroxy-12-(sulfooxy)cholan-24-oic acid [ C24 H40 \
O8 S, db=80.09, overall=40.05, HMP ID=HMDB02600, KEGG ID= ]", ""}}, 
   {1065.7736, 14.364685, "Meta"} -> {{37656, 34122, 29373}, {"", ""}}, 
   {148.0158, 14.363888, "Meta"} -> {{484913, 478603, 443112}, {"", ""}}, 
   {435.3347, 14.36872, "Meta"} -> {{504701, 473183, 442224}, {"", ""}}, 
   {260.1407, 14.364168, "Meta"} -> {{29431, 31268, 29874}, {"", ""}}, 
   {510.3212, 14.366528, "Meta"} -> {{163669, 202280, 170594}, 
     {"GPCho(8:0/8:0) [ C24 H49 N O8 P, db=69.20, overall=34.60, Lipid \
ID=LMGP01011251, KEGG ID= ]", ""}}, {421.319, 14.36807, "Meta"} -> 
    {{99020, 74546, 117687}, {"", ""}}, {278.1517, 14.363973, "Meta"} -> 
    {{168655, 160388, 155344}, {"", ""}}, {56.0626, 14.364111, "Meta"} -> 
    {{1, 172737, 179451}, {"", ""}}, {559.2364, 14.3670025, "Meta"} -> 
    {{64039, 50050, 48329}, {"", ""}}, {707.5107, 14.365907, "Meta"} -> 
    {{30558, 31033, 76709}, {"", ""}}, {723.5778, 14.369323, "Meta"} -> 
    {{147499, 136619, 135107}, {"", ""}}, {472.2919, 14.36994, "Meta"} -> 
    {{57024, 74300, 1}, {"", ""}}, {612.496, 14.377229, "Meta"} -> 
    {{69121, 84186, 73653}, {"", ""}}, {693.5309, 14.366889, "Meta"} -> 
    {{127595, 123571, 115772}, {"", ""}}, {311.3178, 14.3759985, "Meta"} -> 
    {{1034388, 1039530, 857919}, {"", ""}}, {242.1879, 14.379251, "Meta"} -> 
    {{73264, 74641, 92294}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
db=85.66, overall=42.83, Lipid ID=, KEGG ID= ]", ""}}, 
   {206.1667, 14.376665, "Meta"} -> {{40715, 41052, 50171}, {"", ""}}, 
   {260.1984, 14.38937, "Meta"} -> {{73191, 62563, 55779}, 
     {"3,11-dihydroxy myristoic acid [ C14 H28 O4, db=63.47, overall=31.73, \
Lipid ID=LMFA01050081, KEGG ID= ]", ""}}, {996.7662, 14.379554, "Meta"} -> 
    {{13010, 1, 16392}, {"", ""}}, {429.2323, 14.385517, "Meta"} -> 
    {{87791, 50243, 1}, {"", ""}}, {2021.3699, 14.398199, "Meta"} -> 
    {{1, 45429, 1}, {"", ""}}, {504.4169, 14.390971, "Meta"} -> 
    {{1, 67713, 101885}, {"", ""}}, {540.4393, 14.375798, "Meta"} -> 
    {{105712, 119128, 1506782}, {"", ""}}, {890.7617, 14.388518, "Meta"} -> 
    {{1, 1, 121845}, {"", ""}}, {298.2869, 14.3915205, "Meta"} -> 
    {{73944, 61070, 112533}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
db=67.14, overall=33.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {397.2157, 14.390834, "Meta"} -> {{26136, 1, 1}, {"", ""}}, 
   {666.5123, 14.391109, "Meta"} -> {{53327, 55529, 111351}, {"", ""}}, 
   {400.2142, 14.393068, "Meta"} -> {{54188, 30073, 1}, 
     {"Trp Pro Val [ C21 H28 N4 O4, db=30.15, overall=15.08 ]", ""}}, 
   {284.2715, 14.392412, "Meta"} -> {{144569, 111598, 1}, 
     {"Stearic acid [ C18 H36 O2, db=99.03, overall=49.51, KEGG ID=, CAS \
ID=57-11-4 ]", "57-11-4"}}, {432.2395, 14.391428, "Meta"} -> 
    {{1, 1, 30169}, {"", ""}}, {382.2398, 14.392168, "Meta"} -> 
    {{149479, 136555, 262413}, {"", ""}}, {514.3634, 14.388402, "Meta"} -> 
    {{148755, 113948, 204902}, {"", ""}}, {442.2629, 14.3930025, "Meta"} -> 
    {{54622, 57063, 86713}, {"", ""}}, {457.239, 14.3956, "Meta"} -> 
    {{23903, 18662, 19421}, {"", ""}}, {408.3599, 14.406938, "Meta"} -> 
    {{14345, 13129, 19023}, {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, \
db=75.02, overall=37.51, Lipid ID=, KEGG ID= ]", ""}}, 
   {1938.2709, 14.402037, "Meta"} -> {{165794, 97710, 1}, {"", ""}}, 
   {250.193, 14.395028, "Meta"} -> {{109560, 89242, 115108}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=73.78, overall=36.89, \
Lipid ID=, KEGG ID= ]", ""}}, {301.2979, 14.39117, "Meta"} -> 
    {{11713, 9241, 25182}, {"Dihydrosphingosine [ C18 H39 N O2, db=85.23, \
overall=42.62, KEGG ID=C00836, CAS ID=764-22-7 ]", "764-22-7"}}, 
   {522.4279, 14.397862, "Meta"} -> {{170202, 157937, 242910}, {"", ""}}, 
   {1933.3156, 14.403201, "Meta"} -> {{65549, 90733, 78286}, {"", ""}}, 
   {416.2903, 14.408222, "Meta"} -> {{35965, 38417, 42915}, 
     {"(24R,25S)-25,26-epoxy-1alpha,24-dihydroxy-27-norvitamin D3 / \
(24R,25S)-25,26-epoxy-1alpha,24-dihydro [ C26 H40 O4, db=47.47, \
overall=23.74, Lipid ID=LMST03020037, KEGG ID= ]", ""}}, 
   {566.3937, 14.392841, "Meta"} -> {{208940, 61227, 48875}, {"", ""}}, 
   {474.37, 14.399874, "Meta"} -> {{371134, 100273, 204204}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=85.87, \
overall=42.94, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {612.4365, 14.406086, "Meta"} -> {{598884, 502641, 816835}, {"", ""}}, 
   {470.3972, 14.407165, "Meta"} -> {{61412, 56650, 1}, {"", ""}}, 
   {1850.2188, 14.408482, "Meta"} -> {{1, 163573, 174628}, {"", ""}}, 
   {566.4545, 14.401355, "Meta"} -> {{1026295, 125799, 188504}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=61.55, overall=30.77, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {443.3973, 14.4052, "Meta"} -> 
    {{88880, 68423, 99321}, {"", ""}}, {681.1175, 14.41128, "Meta"} -> 
    {{15854, 1, 25068}, {"", ""}}, {1899.2042, 14.408434, "Meta"} -> 
    {{77923, 1, 80009}, {"", ""}}, {1943.2288, 14.400298, "Meta"} -> 
    {{51232, 53114, 1}, {"", ""}}, {664.7895, 14.409922, "Meta"} -> 
    {{32064, 31675, 35838}, {"", ""}}, {448.3536, 14.37326, "Meta"} -> 
    {{685275, 694380, 170798}, {"Teasterone [ C28 H48 O4, db=51.26, \
overall=25.63, Lipid ID=LMST01030121, KEGG ID= ]", ""}}, 
   {1806.1923, 14.411065, "Meta"} -> {{214066, 193224, 168278}, {"", ""}}, 
   {486.4034, 14.407399, "Meta"} -> {{37084, 45027, 28738}, 
     {"1alpha,25-dihydroxy-2beta-pentylvitamin D3 / \
1alpha,25-dihydroxy-2beta-pentylcholecalciferol [ C32 H54 O3, db=34.55, \
overall=17.27, Lipid ID=LMST03020520, KEGG ID= ]", ""}}, 
   {1855.1772, 14.401386, "Meta"} -> {{85014, 32405, 1}, {"", ""}}, 
   {651.7665, 14.412334, "Meta"} -> {{37313, 37249, 32467}, {"", ""}}, 
   {593.0646, 14.419587, "Meta"} -> {{34951, 30218, 24351}, {"", ""}}, 
   {370.3077, 14.410557, "Meta"} -> {{3228868, 3034372, 1.13*^7}, 
     {"Docosanedioic acid [ C22 H42 O4, db=97.13, overall=48.56, Lipid \
ID=LMFA01170037, KEGG ID= ]", ""}}, {404.3647, 14.4150305, "Meta"} -> 
    {{49888, 43232, 99934}, {"5beta-Cholestane-3alpha,7alpha-diol [ C27 H48 \
O2, db=79.14, overall=39.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {1757.2117, 14.41254, "Meta"} -> {{190199, 183425, 216648}, {"", ""}}, 
   {1801.2352, 14.410735, "Meta"} -> {{134832, 135809, 148971}, {"", ""}}, 
   {1811.1512, 14.408364, "Meta"} -> {{86587, 84864, 100683}, {"", ""}}, 
   {1762.1667, 14.414145, "Meta"} -> {{231873, 201603, 250146}, {"", ""}}, 
   {390.3488, 14.408688, "Meta"} -> {{84413, 78996, 59171}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=54.78, overall=27.39, \
Lipid ID=, KEGG ID= ]", ""}}, {583.4808, 14.395259, "Meta"} -> 
    {{64621, 22298, 29251}, {"", ""}}, {637.0912, 14.41594, "Meta"} -> 
    {{40419, 38073, 33628}, {"", ""}}, {511.4232, 14.415657, "Meta"} -> 
    {{104266, 89362, 92863}, {"", ""}}, {387.335, 14.411082, "Meta"} -> 
    {{234298, 211023, 697740}, {"", ""}}, {470.097, 14.418974, "Meta"} -> 
    {{5696478, 5105963, 1.17*^7}, {"", ""}}, {493.0873, 14.415969, "Meta"} -> 
    {{73332, 61101, 53617}, {"", ""}}, {1723.0979, 14.419501, "Meta"} -> 
    {{137649, 119317, 165695}, {"", ""}}, {1625.133, 14.422751, "Meta"} -> 
    {{158594, 182684, 1}, {"", ""}}, {1630.0883, 14.423135, "Meta"} -> 
    {{246876, 237788, 1}, {"", ""}}, {1635.048, 14.425599, "Meta"} -> 
    {{144072, 128517, 177648}, {"", ""}}, {1586.0623, 14.426733, "Meta"} -> 
    {{275527, 295338, 285795}, {"", ""}}, {447.2265, 14.425441, "Meta"} -> 
    {{37973, 17839, 65156}, 
     {"Ser Arg Trp [ C20 H29 N7 O5, db=50.01, overall=25.00 ]", ""}}, 
   {1581.1057, 14.426365, "Meta"} -> {{136857, 138839, 219781}, {"", ""}}, 
   {404.3037, 14.428638, "Meta"} -> {{443463, 491044, 1314023}, {"", ""}}, 
   {1542.0363, 14.429039, "Meta"} -> {{261897, 257350, 244306}, {"", ""}}, 
   {375.3134, 14.427285, "Meta"} -> {{42299, 37877, 63596}, 
     {"N-(1,1-dimethyl-2-hydroxy-ethyl) arachidonoyl amine [ C24 H41 N O2, \
db=81.75, overall=40.88, Lipid ID=LMFA08020019, KEGG ID= ]", ""}}, 
   {1591.0197, 14.430484, "Meta"} -> {{150553, 1, 192825}, {"", ""}}, 
   {361.2974, 14.432083, "Meta"} -> {{2983228, 3206835, 5522313}, 
     {"N-methyl N-(2-hydroxy-ethyl) arachidonoyl amine [ C23 H39 N O2, \
db=97.58, overall=48.79, Lipid ID=LMFA08020025, KEGG ID= ]", ""}}, 
   {344.2712, 14.433056, "Meta"} -> {{2805008, 2979647, 1419648}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=99.04, \
overall=49.52, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {1546.9941, 14.433572, "Meta"} -> {{140686, 119600, 1}, {"", ""}}, 
   {1476.0247, 14.427167, "Meta"} -> {{59490, 1, 1}, {"", ""}}, 
   {506.4327, 14.461076, "Meta"} -> {{1, 77855, 23673}, {"", ""}}, 
   {1502.967, 14.438209, "Meta"} -> {{148124, 129620, 1}, {"", ""}}, 
   {420.3577, 14.4446125, "Meta"} -> {{57912, 48596, 146464}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=65.27, \
overall=32.64, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {1387.9729, 14.434806, "Meta"} -> {{222853, 1, 43206}, {"", ""}}, 
   {1493.0544, 14.434714, "Meta"} -> {{175526, 213640, 208669}, {"", ""}}, 
   {511.2607, 14.419092, "Meta"} -> {{70251, 58803, 36804}, {"", ""}}, 
   {1449.0283, 14.43929, "Meta"} -> {{165912, 1, 180189}, {"", ""}}, 
   {380.3653, 14.448362, "Meta"} -> {{60853, 54052, 180301}, 
     {"17Z-pentacosenoic acid [ C25 H48 O2, db=96.33, overall=48.17, Lipid \
ID=, KEGG ID= ]", ""}}, {1405.001, 14.443967, "Meta"} -> 
    {{137879, 149946, 164080}, {"CL(1'-[16:0/18:1(11Z)],3'-[16:0/18:1(11Z)]) \
[ C77 H146 O17 P2, db=86.52, overall=43.26, Lipid ID=LMGP12010006, KEGG ID= \
]", ""}}, {1321.905, 14.456001, "Meta"} -> {{136105, 145702, 144317}, 
     {"", ""}}, {1316.9497, 14.455285, "Meta"} -> 
    {{1, 104122, 85720}, {"", ""}}, {438.3322, 14.440999, "Meta"} -> 
    {{59450, 27676, 281439}, {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ \
C26 H46 O5, db=78.36, overall=39.18, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {1277.8792, 14.461234, "Meta"} -> {{100789, 80489, 96716}, {"", ""}}, 
   {1118.9772, 14.463029, "Meta"} -> {{43120, 49525, 96566}, {"", ""}}, 
   {636.9634, 14.461871, "Meta"} -> {{1, 1, 25820}, {"", ""}}, 
   {848.7128, 14.462386, "Meta"} -> {{20278, 19238, 1}, {"", ""}}, 
   {1238.8083, 14.467372, "Meta"} -> {{39317, 21748, 50783}, {"", ""}}, 
   {270.2551, 14.466167, "Meta"} -> {{4919832, 5678092, 2.*^7}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=94.77, overall=47.38, \
Lipid ID=, KEGG ID= ]", ""}}, {287.2824, 14.466778, "Meta"} -> 
    {{511089, 598812, 1488574}, {"C17 Sphinganine [ C17 H37 N O2, db=99.39, \
overall=49.69, Lipid ID=LMSP01040003, KEGG ID= ]", ""}}, 
   {400.334, 14.474161, "Meta"} -> {{1, 26069, 332564}, 
     {"(5E)-1alpha-hydroxy-3-epivitamin D_3 / \
(5E)-1alpha-hydroxy-3-epicholecalciferol [ C27 H44 O2, db=88.78, \
overall=44.39, Lipid ID=LMST03020234, KEGG ID= ]", ""}}, 
   {1194.7839, 14.473861, "Meta"} -> {{1, 11724, 19938}, {"", ""}}, 
   {1168.9875, 14.479252, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {330.2883, 14.466946, "Meta"} -> {{104488, 160203, 434757}, {"", ""}}, 
   {320.2708, 14.478832, "Meta"} -> {{4872287, 5066483, 1.37*^7}, 
     {"3a,20b-Pregnanediol [ C21 H36 O2, db=92.32, overall=46.16, HMP \
ID=HMDB02156, KEGG ID= ]", ""}}, {684.1372, 14.495041, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {418.2392, 14.489999, "Meta"} -> 
    {{29650, 23591, 1}, 
     {"Met Arg Leu [ C17 H34 N6 O4 S, db=55.58, overall=27.79 ]", ""}}, 
   {337.2972, 14.478779, "Meta"} -> {{3634663, 3950682, 8737819}, {"", ""}}, 
   {948.7409, 14.486519, "Meta"} -> {{1, 76762, 92215}, {"", ""}}, 
   {288.2448, 14.4851265, "Meta"} -> {{38030, 1, 82002}, 
     {"8-[5]-ladderane-1-octanol [ C20 H32 O, db=62.66, overall=31.33, Lipid \
ID=, KEGG ID= ]", ""}}, {380.3036, 14.478943, "Meta"} -> 
    {{352378, 402945, 1148780}, {"", ""}}, {351.3139, 14.491401, "Meta"} -> 
    {{42126, 38787, 60056}, {"Anandamide (20:2, n-6) [ C22 H41 N O2, \
db=69.92, overall=34.96, Lipid ID=LMFA08040002, KEGG ID= ]", ""}}, 
   {1124.8135, 14.482899, "Meta"} -> {{54804, 1, 76367}, {"", ""}}, 
   {654.7867, 14.500103, "Meta"} -> {{1, 1, 35590}, {"", ""}}, 
   {671.1134, 14.4969425, "Meta"} -> {{34996, 1, 36250}, {"", ""}}, 
   {645.3889, 14.488171, "Meta"} -> {{1, 1, 128077}, {"", ""}}, 
   {426.2745, 14.497218, "Meta"} -> {{42703, 36429, 1030102}, 
     {"(23S)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone [ C27 H38 \
O4, db=63.52, overall=31.76, Lipid ID=LMST03020599, KEGG ID= ]", ""}}, 
   {685.7893, 14.4935665, "Meta"} -> {{31685, 30349, 17989}, {"", ""}}, 
   {1947.3323, 14.498856, "Meta"} -> {{79801, 81263, 82276}, {"", ""}}, 
   {1996.3118, 14.491321, "Meta"} -> {{62100, 46584, 58111}, {"", ""}}, 
   {641.7627, 14.502058, "Meta"} -> {{32536, 56841, 45328}, {"", ""}}, 
   {636.4919, 14.474574, "Meta"} -> {{198307, 208732, 311818}, {"", ""}}, 
   {2040.3385, 14.493648, "Meta"} -> {{56259, 31239, 45990}, {"", ""}}, 
   {627.0879, 14.50506, "Meta"} -> {{36737, 41043, 28909}, {"", ""}}, 
   {1991.3583, 14.495925, "Meta"} -> {{1, 62517, 1}, {"", ""}}, 
   {494.3971, 14.493335, "Meta"} -> {{177233, 807862, 239939}, {"", ""}}, 
   {592.4704, 14.502999, "Meta"} -> {{5440094, 4099339, 1433653}, {"", ""}}, 
   {919.681, 14.505394, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {807.8639, 14.509769, "Meta"} -> {{55053, 74510, 38904}, {"", ""}}, 
   {1903.3048, 14.502486, "Meta"} -> {{49875, 71750, 1}, {"", ""}}, 
   {793.1883, 14.512266, "Meta"} -> {{79108, 70654, 51935}, {"", ""}}, 
   {1952.2863, 14.502277, "Meta"} -> {{58100, 82153, 77602}, {"", ""}}, 
   {1869.194, 14.502086, "Meta"} -> {{52523, 53288, 68090}, {"", ""}}, 
   {1908.2607, 14.504808, "Meta"} -> {{107537, 129059, 1}, {"", ""}}, 
   {1820.2089, 14.511034, "Meta"} -> {{166431, 152787, 138237}, {"", ""}}, 
   {963.707, 14.513001, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1781.1418, 14.511568, "Meta"} -> {{103367, 77273, 120411}, {"", ""}}, 
   {1776.1823, 14.514804, "Meta"} -> {{169631, 1, 158706}, {"", ""}}, 
   {386.3397, 14.511031, "Meta"} -> {{1, 1, 532461}, 
     {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=96.95, overall=48.47, KEGG \
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    {{108910, 103575, 104528}, {"", ""}}, {252.2088, 14.522425, "Meta"} -> 
    {{48879, 37216, 38801}, {"2E,4E-hexadecadienoic acid [ C16 H28 O2, \
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   {1771.2264, 14.515609, "Meta"} -> {{95181, 1, 131946}, {"", ""}}, 
   {294.2194, 14.478001, "Meta"} -> {{97412, 29338, 80021}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=80.00, overall=40.00, \
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    {{195180, 434660, 451807}, {"", ""}}, {749.1626, 14.516725, "Meta"} -> 
    {{69254, 38411, 37966}, {"", ""}}, {596.4413, 14.516907, "Meta"} -> 
    {{120553, 164375, 159567}, {"", ""}}, {278.2243, 14.527305, "Meta"} -> 
    {{355776, 622386, 416178}, {"beta-eleostearic acid [ C18 H30 O2, \
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   {763.8373, 14.514566, "Meta"} -> {{58673, 66616, 73573}, {"", ""}}, 
   {276.2084, 14.51291, "Meta"} -> {{59266, 62860, 51736}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=79.59, overall=39.79, Lipid \
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    {{1, 1, 110629}, {"", ""}}, {1693.0908, 14.519001, "Meta"} -> 
    {{85481, 1, 102087}, {"", ""}}, {1683.1736, 14.522961, "Meta"} -> 
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   {1551.0957, 14.537624, "Meta"} -> {{1, 131760, 116556}, {"", ""}}, 
   {1507.0687, 14.543251, "Meta"} -> {{1, 109738, 1}, {"", ""}}, 
   {1463.0459, 14.548631, "Meta"} -> {{67240, 102860, 72530}, {"", ""}}, 
   {412.2124, 14.560958, "Meta"} -> {{21620, 19119, 27591}, {"", ""}}, 
   {264.2448, 14.558638, "Meta"} -> {{50710, 52437, 156902}, 
     {"9,12-octadecadienal [ C18 H32 O, db=90.59, overall=45.30, Lipid ID=, \
KEGG ID= ]", ""}}, {296.2707, 14.557776, "Meta"} -> 
    {{4795671, 5183589, 1.53*^7}, {"10-methylene-octadecanoic acid [ C19 H36 \
O2, db=84.40, overall=42.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {394.2399, 14.56191, "Meta"} -> {{54596, 52985, 82769}, {"", ""}}, 
   {356.3036, 14.558113, "Meta"} -> {{233534, 271339, 571010}, {"", ""}}, 
   {313.2974, 14.558834, "Meta"} -> {{1743121, 2064155, 3749651}, 
     {"N-(2-hydroxyethyl)heptadecanamide [ C19 H39 N O2, db=99.60, \
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    {{1, 20579, 25827}, {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, \
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   {496.4124, 14.55775, "Meta"} -> {{82207, 67077, 1}, {"", ""}}, 
   {1330.9644, 14.569345, "Meta"} -> {{22564, 30912, 37875}, {"", ""}}, 
   {1224.9006, 14.558654, "Meta"} -> {{1, 195135, 197763}, {"", ""}}, 
   {719.8112, 14.559839, "Meta"} -> {{1, 52409, 73687}, {"", ""}}, 
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   {2054.3523, 14.574896, "Meta"} -> {{80563, 64645, 46288}, {"", ""}}, 
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   {827.2118, 14.585125, "Meta"} -> {{24658, 47520, 43831}, {"", ""}}, 
   {387.3137, 14.578861, "Meta"} -> {{77963, 96924, 116681}, {"", ""}}, 
   {1128.8441, 14.582754, "Meta"} -> {{60743, 57614, 46513}, {"", ""}}, 
   {180.1507, 14.5836115, "Meta"} -> {{52601, 52541, 34664}, 
     {"3,6,8-dodecatrien-1-ol [ C12 H20 O, db=70.80, overall=35.40, Lipid \
ID=, KEGG ID= ]", ""}}, {435.3027, 14.588826, "Meta"} -> 
    {{40663, 25347, 67186}, {"", ""}}, {394.3806, 14.587612, "Meta"} -> 
    {{41583, 38890, 104441}, {"Ximenic acid [ C26 H50 O2, db=85.28, \
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   {337.3338, 14.585556, "Meta"} -> {{4031075, 2677503, 5421622}, {"", ""}}, 
   {198.1615, 14.583165, "Meta"} -> {{195691, 183248, 134978}, 
     {"9-lauroleic acid [ C12 H22 O2, db=95.30, overall=47.65, Lipid \
ID=LMFA01030041, KEGG ID= ]", ""}}, {457.3779, 14.587459, "Meta"} -> 
    {{54765, 31942, 70826}, {"", ""}}, {397.3668, 14.5889435, "Meta"} -> 
    {{507538, 411075, 632656}, {"", ""}}, {518.3949, 14.583486, "Meta"} -> 
    {{475007, 407085, 274771}, {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)\
vitamin D3 / 1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, \
db=54.02, overall=27.01, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {382.3923, 14.588941, "Meta"} -> {{68469, 101065, 70429}, {"", ""}}, 
   {618.6064, 14.58071, "Meta"} -> {{1, 26500, 74413}, {"", ""}}, 
   {2010.329, 14.5813465, "Meta"} -> {{64594, 68079, 81797}, {"", ""}}, 
   {749.5934, 14.587584, "Meta"} -> {{50742, 44541, 48837}, {"", ""}}, 
   {434.3736, 14.585371, "Meta"} -> {{43549, 1, 55308}, 
     {"6-deoxoteasterone [ C28 H50 O3, db=57.43, overall=28.72, Lipid \
ID=LMST01030120, KEGG ID= ]", ""}}, {368.3762, 14.587169, "Meta"} -> 
    {{24620, 19645, 36429}, {"", ""}}, {675.7857, 14.585401, "Meta"} -> 
    {{25908, 31295, 42696}, {"", ""}}, {570.4849, 14.596359, "Meta"} -> 
    {{109473, 101306, 76610}, {"Dihydrospheroidene/ Methoxyneurosporene [ C41 \
H62 O, db=48.91, overall=24.45, Lipid ID=LMPR01070149, KEGG ID= ]", ""}}, 
   {646.5057, 14.597443, "Meta"} -> {{179717, 193517, 2672289}, {"", ""}}, 
   {777.6257, 14.593777, "Meta"} -> {{47786, 60285, 1272304}, {"", ""}}, 
   {1878.251, 14.597361, "Meta"} -> {{79882, 79930, 87106}, {"", ""}}, 
   {1873.2964, 14.601121, "Meta"} -> {{52364, 88003, 65182}, {"", ""}}, 
   {609.4976, 14.601, "Meta"} -> {{122934, 341475, 196510}, {"", ""}}, 
   {1834.2249, 14.605593, "Meta"} -> {{114235, 1, 1}, {"", ""}}, 
   {1829.2671, 14.605332, "Meta"} -> {{59196, 1, 1}, {"", ""}}, 
   {346.287, 14.613888, "Meta"} -> {{874012, 923055, 893036}, 
     {"24-Nor-5beta-chol-22-ene-3alpha,7alpha-diol [ C23 H38 O2, db=97.06, \
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    {{108051, 127342, 118765}, {"", ""}}, {311.3186, 14.611917, "Meta"} -> 
    {{549407, 541007, 4122944}, {"", ""}}, {363.3137, 14.614585, "Meta"} -> 
    {{929641, 1171965, 737410}, {"", ""}}, {1226.9174, 14.610486, "Meta"} -> 
    {{573495, 484717, 446791}, {"", ""}}, {278.2243, 14.622764, "Meta"} -> 
    {{530317, 464669, 1}, {"beta-eleostearic acid [ C18 H30 O2, db=84.86, \
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   {542.3945, 14.613458, "Meta"} -> {{260409, 204744, 1}, {"", ""}}, 
   {1697.1888, 14.622085, "Meta"} -> {{48109, 79426, 52174}, {"", ""}}, 
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   {296.2356, 14.625435, "Meta"} -> {{447800, 595004, 449219}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.09, \
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    {{210826, 1, 52131}, {"", ""}}, {643.4046, 14.619277, "Meta"} -> 
    {{233510, 159696, 164931}, {"", ""}}, {418.3076, 14.641639, "Meta"} -> 
    {{2198394, 3308963, 1.29*^8}, {"(24S)-1alpha,24-dihydroxy-22-oxavitamin \
D3 / (24S)-1alpha,24-dihydroxy-22-oxacholecalciferol [ C26 H42 O4, db=97.91, \
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   {558.4647, 14.630633, "Meta"} -> {{371045, 332613, 1}, {"", ""}}, 
   {587.268, 14.647654, "Meta"} -> {{1, 1, 261548}, {"", ""}}, 
   {594.4864, 14.647084, "Meta"} -> {{7255891, 6001554, 3059031}, 
     {"GPCho(O-12:0/O-12:0[U]) [ C32 H69 N O6 P, db=61.40, overall=30.70, \
Lipid ID=LMGP01040016, KEGG ID= ]", ""}}, {538.3521, 14.644695, "Meta"} -> 
    {{1, 34146, 992283}, {"GPCho(16:0/2:0[U]) [ C26 H53 N O8 P, db=80.02, \
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   {463.3662, 14.650472, "Meta"} -> {{65443, 278247, 1954071}, {"", ""}}, 
   {1241.8918, 14.621572, "Meta"} -> {{254943, 198138, 32846}, {"", ""}}, 
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   {611.5125, 14.659333, "Meta"} -> {{945959, 1452302, 1}, {"", ""}}, 
   {477.3818, 14.653285, "Meta"} -> {{1, 79655, 467815}, {"", ""}}, 
   {284.2714, 14.654392, "Meta"} -> {{199534, 240882, 863392}, 
     {"Stearic acid [ C18 H36 O2, db=98.08, overall=49.04, KEGG ID=, CAS \
ID=57-11-4 ]", "57-11-4"}}, {1244.8976, 14.639069, "Meta"} -> 
    {{277891, 556785, 198714}, {"", ""}}, {576.4755, 14.647612, "Meta"} -> 
    {{1238295, 1115138, 795769}, {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadie\
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, ""}}, {404.3652, 14.650456, "Meta"} -> {{112310, 96730, 56782}, 
     {"5beta-Cholestane-3alpha,7alpha-diol [ C27 H48 O2, db=61.38, \
overall=30.69, Lipid ID=, KEGG ID= ]", ""}}, 
   {1228.9321, 14.649517, "Meta"} -> {{1121020, 662426, 506793}, {"", ""}}, 
   {301.298, 14.656277, "Meta"} -> {{38329, 50774, 98186}, 
     {"Dihydrosphingosine [ C18 H39 N O2, db=96.01, overall=48.00, KEGG \
ID=C00836, CAS ID=764-22-7 ]", "764-22-7"}}, {274.1567, 14.662207, "Meta"} -> 
    {{1, 1, 312134}, {"2,4,6-Heptatrienoic acid, \
5-methyl-7-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-, (2E,4E,6E)- [ C17 H22 \
O3, db=85.11, overall=42.55, KEGG ID=, CAS ID=230976-85-9 ]", 
      "230976-85-9"}}, {504.4172, 14.684583, "Meta"} -> 
    {{114932, 69492, 173377}, {"", ""}}, {572.4439, 14.696446, "Meta"} -> 
    {{886441, 1, 157149}, {"", ""}}, {420.3589, 14.700999, "Meta"} -> 
    {{50238, 45195, 1}, {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, \
db=56.75, overall=28.37, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {672.5206, 14.677082, "Meta"} -> {{411809, 404651, 5208777}, {"", ""}}, 
   {1980.3177, 14.679613, "Meta"} -> {{76307, 92919, 1}, {"", ""}}, 
   {339.3138, 14.689998, "Meta"} -> {{257429, 343195, 508815}, {"", ""}}, 
   {322.2869, 14.6890545, "Meta"} -> {{314183, 331901, 701307}, 
     {"18-methyl-5Z,9Z-eicosadienoic acid [ C21 H38 O2, db=89.79, \
overall=44.89, Lipid ID=, KEGG ID= ]", ""}}, {522.4285, 14.695344, "Meta"} -> 
    {{538223, 615152, 393000}, {"", ""}}, {710.4678, 14.679098, "Meta"} -> 
    {{21349, 17198, 185875}, {"", ""}}, {382.3195, 14.691675, "Meta"} -> 
    {{53683, 66437, 109267}, {"", ""}}, {1931.3354, 14.685877, "Meta"} -> 
    {{65585, 1, 51098}, {"", ""}}, {690.5313, 14.693032, "Meta"} -> 
    {{27275, 27062, 164667}, {"", ""}}, {1892.2664, 14.69138, "Meta"} -> 
    {{59428, 53948, 43010}, {"", ""}}, {410.3753, 14.702883, "Meta"} -> 
    {{109969, 79221, 107379}, {"", ""}}, {658.4167, 14.70937, "Meta"} -> 
    {{218071, 1, 58891}, {"", ""}}, {652.4213, 14.713416, "Meta"} -> 
    {{709616, 1, 1}, {"", ""}}, {316.2608, 14.722626, "Meta"} -> 
    {{767323, 1, 618958}, {"7,8-dihydroxy stearic acid [ C18 H36 O4, \
db=57.03, overall=28.52, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {618.4829, 14.717896, "Meta"} -> {{1, 1, 6625097}, {"", ""}}, 
   {464.3117, 14.712481, "Meta"} -> {{23506, 25488, 1}, 
     {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic \
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   {627.543, 14.723062, "Meta"} -> {{1, 70603, 19873}, {"", ""}}, 
   {298.2502, 14.720165, "Meta"} -> {{2.86*^7, 2.62*^7, 2582851}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=96.33, overall=48.16, \
Lipid ID=, KEGG ID= ]", ""}}, {364.2978, 14.71611, "Meta"} -> 
    {{174014, 217358, 430687}, {"24-Nor-5beta-cholane-3alpha,7alpha,23-triol \
[ C23 H40 O3, db=99.37, overall=49.68, KEGG ID=, CAS ID= ]", ""}}, 
   {787.8574, 14.717876, "Meta"} -> {{36493, 56066, 22663}, {"", ""}}, 
   {1248.9193, 14.717847, "Meta"} -> {{156485, 104507, 106192}, {"", ""}}, 
   {1214.9626, 14.718625, "Meta"} -> {{1, 1, 43757}, {"", ""}}, 
   {262.2295, 14.721832, "Meta"} -> {{140510, 138339, 99259}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=86.76, overall=43.38, Lipid \
ID=, KEGG ID= ]", ""}}, {280.2403, 14.721973, "Meta"} -> 
    {{3549292, 2608457, 2137788}, {"13E,17-octadecadienoic acid [ C18 H32 O2, \
db=99.20, overall=49.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {641.5592, 14.724205, "Meta"} -> {{113077, 204737, 37138}, {"", ""}}, 
   {1230.9482, 14.721404, "Meta"} -> {{1, 1, 282543}, {"", ""}}, 
   {613.5278, 14.712639, "Meta"} -> {{549002, 1, 111015}, {"", ""}}, 
   {895.2569, 14.730208, "Meta"} -> {{59640, 15501, 35904}, {"", ""}}, 
   {878.9283, 14.734208, "Meta"} -> {{1, 70103, 59701}, {"", ""}}, 
   {548.4439, 14.7357, "Meta"} -> {{288362, 363643, 1}, {"", ""}}, 
   {660.5212, 14.728284, "Meta"} -> {{137784, 136700, 1630896}, {"", ""}}, 
   {327.314, 14.733674, "Meta"} -> {{16377, 22893, 45326}, 
     {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, db=66.95, overall=33.47, \
KEGG ID=, CAS ID= ]", ""}}, {310.287, 14.734526, "Meta"} -> 
    {{53365, 28795, 129030}, {"trans-gondoic acid [ C20 H38 O2, db=60.53, \
overall=30.26, Lipid ID=LMFA01030086, KEGG ID= ]", ""}}, 
   {583.4811, 14.737029, "Meta"} -> {{69325, 67991, 46574}, {"", ""}}, 
   {600.472, 14.752064, "Meta"} -> {{286920, 210287, 306397}, 
     {"1-(9Z,12Z-heptadecadienoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero\
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   {716.5471, 14.760383, "Meta"} -> {{116201, 1, 686179}, {"", ""}}, 
   {389.3293, 14.748772, "Meta"} -> {{120525, 160361, 350059}, 
     {"(-)N-(1R-methyl-2-hydroxy-ethyl) alpha,alpha-dimethylarachidonoyl \
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ID= ]", ""}}, {372.3025, 14.74882, "Meta"} -> {{74122, 100102, 277297}, 
     {"", ""}}, {574.4596, 14.754307, "Meta"} -> {{3515126, 2950016, 822635}, 
     {"", ""}}, {242.1877, 14.760484, "Meta"} -> {{20348, 25939, 31024}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=56.38, \
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    {{230807, 185636, 148100}, {"", ""}}, {438.3706, 14.765166, "Meta"} -> 
    {{19438, 1, 35896}, {"", ""}}, {393.3394, 14.762653, "Meta"} -> 
    {{1, 1, 276103}, {"", ""}}, {444.36, 14.769503, "Meta"} -> 
    {{56148, 73296, 311452}, {"1alpha,25-dihydroxy-26,27-dimethylvitamin D3 / \
1alpha,25-dihydroxy-26,27-dimethylcholecalciferol [ C29 H48 O3, db=93.15, \
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   {426.3503, 14.771001, "Meta"} -> {{1, 9302, 61321}, 
     {"1alpha-hydroxy-24-methylvitamin D2 / \
1alpha-hydroxy-24-methylergocalciferol [ C29 H46 O2, db=63.34, overall=31.67, \
Lipid ID=LMST03010058, KEGG ID= ]", ""}}, {698.5362, 14.787467, "Meta"} -> 
    {{51804, 49238, 1}, {"", ""}}, {630.3825, 14.770709, "Meta"} -> 
    {{95602, 1, 37893}, {"", ""}}, {562.4942, 14.773908, "Meta"} -> 
    {{107881, 89105, 107957}, {"", ""}}, {550.4593, 14.774359, "Meta"} -> 
    {{1, 29021, 275163}, {"", ""}}, {865.9048, 14.755374, "Meta"} -> 
    {{26915, 1, 49470}, {"", ""}}, {365.3291, 14.786773, "Meta"} -> 
    {{23984, 32729, 55886}, {"", ""}}, {947.7121, 14.789295, "Meta"} -> 
    {{1, 1, 24204}, {"", ""}}, {598.5127, 14.787033, "Meta"} -> 
    {{60382, 58255, 62400}, {"", ""}}, {885.2533, 14.794846, "Meta"} -> 
    {{23557, 41330, 22928}, {"", ""}}, {899.9287, 14.794801, "Meta"} -> 
    {{76121, 25379, 51257}, {"", ""}}, {1096.8158, 14.800359, "Meta"} -> 
    {{1, 1, 21868}, {"", ""}}, {1272.9229, 14.804, "Meta"} -> 
    {{1, 1, 16919}, {"", ""}}, {1145.8004, 14.803542, "Meta"} -> 
    {{1, 1, 34410}, {"", ""}}, {358.3193, 14.811888, "Meta"} -> 
    {{127668, 166732, 371305}, {"", ""}}, {1529.3846, 14.813001, "Meta"} -> 
    {{1, 31160, 72031}, {"", ""}}, {1231.097, 14.8139715, "Meta"} -> 
    {{55407, 66049, 126152}, {"", ""}}, {456.2772, 14.81156, "Meta"} -> 
    {{23019, 22625, 34645}, {"", ""}}, {686.5367, 14.812345, "Meta"} -> 
    {{86505, 108791, 1315740}, {"", ""}}, {298.2872, 14.814419, "Meta"} -> 
    {{3175772, 3549019, 2953362}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
db=97.99, overall=49.00, Lipid ID=, KEGG ID= ]", ""}}, 
   {315.3136, 14.814669, "Meta"} -> {{1046064, 1172035, 2639459}, {"", ""}}, 
   {412.2589, 14.804344, "Meta"} -> {{1, 1, 547593}, {"", ""}}, 
   {932.8066, 14.813334, "Meta"} -> {{20646, 14952, 27847}, {"", ""}}, 
   {1309.0577, 14.831959, "Meta"} -> {{1, 1, 46057}, {"", ""}}, 
   {1010.7714, 14.841031, "Meta"} -> {{49380, 74401, 290974}, {"", ""}}, 
   {861.6182, 14.853371, "Meta"} -> {{177510, 183791, 309761}, 
     {"Galabiosylceramide (d18:1/16:0) [ C46 H87 N O13, db=96.56, \
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   {339.3499, 14.845642, "Meta"} -> {{46238, 36789, 98299}, 
     {"Docosanamide [ C22 H45 N O, db=95.67, overall=47.83, HMP ID=HMDB00583, \
KEGG ID= ]", ""}}, {1270.9773, 14.83957, "Meta"} -> 
    {{88916, 182991, 437255}, {"", ""}}, {656.5257, 14.851055, "Meta"} -> 
    {{52031, 41451, 117459}, {"", ""}}, {1246.9775, 14.836859, "Meta"} -> 
    {{18539, 22308, 1}, {"", ""}}, {730.457, 14.851282, "Meta"} -> 
    {{66621, 71955, 221020}, {"", ""}}, {674.5367, 14.847863, "Meta"} -> 
    {{5242090, 5916224, 5.57*^7}, {"", ""}}, 
   {790.4836, 14.8502035, "Meta"} -> {{45239, 70662, 109441}, 
     {"Bis-[2-lyso-3-arachidonoyl-sn-glycerol]-1-phosphate [ C44 H71 O10 P, \
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   {797.5249, 15.449998, "Meta"} -> {{545495, 533476, 38688}, {"", ""}}, 
   {793.5993, 15.530659, "Meta"} -> {{4930849, 4053409, 3208725}, {"", ""}}, 
   {1553.1772, 15.442857, "Meta"} -> {{242275, 321660, 1178001}, {"", ""}}, 
   {759.5772, 15.439802, "Meta"} -> {{2.09*^7, 1.65*^7, 1.89*^7}, {"", ""}}, 
   {1569.174, 15.464, "Meta"} -> {{518763, 1155777, 3137953}, 
     {"CL(1'-[22:1(13Z)/22:1(13Z)],3'-[22:1(13Z)/14:1(9Z)])[rac] [ C89 H166 \
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   {721.5195, 15.531168, "Meta"} -> {{20825, 1, 12142}, {"", ""}}, 
   {662.4464, 15.531808, "Meta"} -> {{232825, 129660, 21974}, {"", ""}}, 
   {743.5827, 15.514, "Meta"} -> {{1754486, 1632166, 792471}, {"", ""}}, 
   {784.6467, 15.513362, "Meta"} -> {{2607000, 2359854, 2378965}, {"", ""}}, 
   {707.5041, 15.531445, "Meta"} -> {{124583, 86501, 18576}, {"", ""}}, 
   {809.593, 15.475028, "Meta"} -> {{1.33*^7, 1.32*^7, 1.16*^7}, {"", ""}}, 
   {797.5939, 15.47045, "Meta"} -> {{271502, 1, 230062}, {"", ""}}, 
   {729.5674, 15.54406, "Meta"} -> {{58423, 58783, 132881}, {"", ""}}, 
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   {1545.174, 15.501686, "Meta"} -> {{1, 684766, 3140724}, {"", ""}}, 
   {810.6619, 15.540002, "Meta"} -> {{4487268, 3977745, 7459016}, {"", ""}}, 
   {1609.1431, 15.548601, "Meta"} -> {{309939, 352942, 1}, {"", ""}}, 
   {785.5934, 15.537765, "Meta"} -> {{2.64*^7, 3.*^7, 5.92*^7}, 
     {"Dioleoylphosphatidylcholine [ C44 H84 N O8 P, db=97.16, overall=48.58, \
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    {{45992, 63688, 87907}, {"", ""}}, {550.496, 15.595188, "Meta"} -> 
    {{19771, 12021, 1}, {"1-O-(1Z-tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycer\
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   {823.542, 15.562964, "Meta"} -> {{741663, 742403, 124832}, 
     {"C18-OH Sulfatide [ C42 H81 N O12 S, db=59.42, overall=29.71, Lipid \
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    {{254010, 282285, 544283}, {"", ""}}, {585.5337, 15.609076, "Meta"} -> 
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    {{529184, 647595, 1278707}, {"GPEtn(20:0/18:1(13Z)) [ C43 H84 N O8 P, \
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   {835.6092, 15.570767, "Meta"} -> {{1242228, 1, 1}, {"", ""}}, 
   {645.6062, 15.626805, "Meta"} -> {{39050, 35597, 23889}, {"", ""}}, 
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   {611.5487, 15.632804, "Meta"} -> {{30108, 28463, 13819}, {"", ""}}, 
   {719.5833, 15.57664, "Meta"} -> {{199181, 244552, 578401}, {"", ""}}, 
   {798.6622, 15.62175, "Meta"} -> {{1500156, 1517824, 4274891}, {"", ""}}, 
   {836.6093, 15.621436, "Meta"} -> {{1, 71904, 56021}, 
     {"GPCho(18:0/22:5(4Z,7Z,10Z,13Z,16Z)[U]) [ C48 H87 N O8 P, db=12.94, \
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   {824.6755, 15.634373, "Meta"} -> {{97053, 93848, 1}, {"", ""}}, 
   {849.5563, 15.625002, "Meta"} -> {{212375, 252146, 193952}, {"", ""}}, 
   {811.6088, 15.61939, "Meta"} -> {{7365290, 8604903, 2.69*^7}, {"", ""}}, 
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   {745.5994, 15.617443, "Meta"} -> {{1390524, 1435471, 4944107}, {"", ""}}, 
   {642.5198, 15.686833, "Meta"} -> {{44475, 56878, 31330}, 
     {"1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol [ \
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   {1581.206, 15.608842, "Meta"} -> {{65101, 114618, 1060091}, {"", ""}}, 
   {795.6145, 15.647944, "Meta"} -> {{5029907, 3567676, 1.67*^7}, {"", ""}}, 
   {833.5642, 15.6496105, "Meta"} -> {{125307, 107355, 91217}, {"", ""}}, 
   {964.5729, 15.654156, "Meta"} -> {{60961, 77594, 1}, {"", ""}}, 
   {786.6616, 15.680306, "Meta"} -> {{1036016, 1287115, 2981259}, {"", ""}}, 
   {633.6055, 15.705123, "Meta"} -> {{1, 19260, 21125}, {"", ""}}, 
   {799.6104, 15.65322, "Meta"} -> {{178874, 226371, 543812}, 
     {"GPEtn(20:0/20:2(11Z,14Z)) [ C45 H86 N O8 P, db=93.83, overall=46.92, \
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    {{35890, 23617, 59978}, {"", ""}}, {812.6763, 15.714558, "Meta"} -> 
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    {{185330, 112607, 240055}, {"", ""}}, {646.4517, 15.798346, "Meta"} -> 
    {{73671, 1, 15016}, {"GPA(14:0/18:1(9Z)) [ C35 H67 O8 P, db=53.75, \
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   {629.6106, 15.80247, "Meta"} -> {{30971, 22686, 110046}, {"", ""}}, 
   {647.6218, 15.803638, "Meta"} -> {{198056, 203426, 646834}, 
     {"Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, db=94.85, overall=47.43, \
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    {{481346, 336976, 513817}, {"1-octadecanoyl-2-(9Z,12Z,15Z-octadecatrienoy\
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      ""}}, {800.6776, 15.794722, "Meta"} -> {{391560, 435854, 2837861}, 
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     {"", ""}}, {720.5875, 15.822541, "Meta"} -> {{27533, 38382, 47939}, 
     {"GPCho(O-16:0/16:0) [ C40 H83 N O7 P, db=74.12, overall=37.06, Lipid \
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    {{1, 1, 507090}, {"", ""}}, {661.637, 15.824202, "Meta"} -> 
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    {{22450, 1, 35086}, {"", ""}}, {801.6253, 15.848322, "Meta"} -> 
    {{1, 53326, 444581}, {"GPEtn(22:1(13Z)/18:0)[U] [ C45 H88 N O8 P, \
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   {632.5355, 15.902878, "Meta"} -> {{86924, 55288, 71971}, 
     {"1-(9Z-heptadecenoyl)-2-(11Z,14Z-eicosadienoyl)-sn-glycerol [ C40 H72 \
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   {839.6394, 15.8606, "Meta"} -> {{1, 46520, 422982}, {"", ""}}, 
   {814.6932, 15.912194, "Meta"} -> {{545668, 649759, 5546044}, {"", ""}}, 
   {852.6397, 15.911029, "Meta"} -> {{38414, 63137, 247050}, {"", ""}}, 
   {773.63, 15.906822, "Meta"} -> {{112663, 219588, 2649300}, {"", ""}}, 
   {823.6456, 15.917723, "Meta"} -> {{560650, 842216, 6106432}, {"", ""}}, 
   {649.6372, 15.946309, "Meta"} -> {{67453, 84553, 443607}, 
     {"N-Lignoceroylsphingosine [ C42 H83 N O3, db=98.89, overall=49.44, HMP \
ID=HMDB00831, KEGG ID= ]", ""}}, {861.593, 15.911041, "Meta"} -> 
    {{1, 1, 155380}, {"", ""}}, {849.6617, 15.960544, "Meta"} -> 
    {{525175, 558365, 7519410}, {"", ""}}, {606.5589, 16.002474, "Meta"} -> 
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    {{1, 1, 169143}, {"", ""}}, {646.5512, 16.021963, "Meta"} -> 
    {{704632, 607573, 1538313}, {"1-(9Z-octadecenoyl)-2-(11Z,14Z-eicosadienoy\
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      ""}}, {669.6274, 16.021229, "Meta"} -> {{55110, 1, 102420}, {"", ""}}, 
   {663.653, 16.021738, "Meta"} -> {{1, 1, 89929}, {"Ceramide (d18:1/25:0) [ \
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   {580.3012, 15.999072, "Meta"} -> {{1, 49162, 171193}, {"", ""}}, 
   {641.5965, 16.03561, "Meta"} -> {{312535, 204334, 999295}, {"", ""}}, 
   {633.6424, 16.0732, "Meta"} -> {{30613, 65880, 635871}, {"", ""}}, 
   {875.6776, 16.05178, "Meta"} -> {{365840, 527216, 6417526}, {"", ""}}, 
   {877.6932, 16.229668, "Meta"} -> {{768530, 516767, 1.03*^7}, {"", ""}}, 
   {903.7076, 16.322107, "Meta"} -> {{80377, 109125, 1448668}, {"", ""}}, 
   {958.9559, 0.36646155, "Meta"} -> {{35222, 29562, 30969}, {"", ""}}, 
   {2422.0625, 0.37100002, "Meta"} -> {{30947, 29986, 1}, {"", ""}}, 
   {1742.01, 0.37975758, "Meta"} -> {{40000, 39829, 37533}, {"", ""}}, 
   {1578.0028, 0.38074994, "Meta"} -> {{45232, 1, 45002}, {"", ""}}, 
   {1988.023, 0.37995836, "Meta"} -> {{29192, 24338, 25811}, {"", ""}}, 
   {1824.0161, 0.38057694, "Meta"} -> {{37359, 34303, 28392}, {"", ""}}, 
   {547.9159, 0.39203572, "Meta"} -> {{156969, 153014, 133268}, {"", ""}}, 
   {721.7918, 0.40096295, "Meta"} -> {{74782, 1, 41734}, {"", ""}}, 
   {557.7853, 0.40799993, "Meta"} -> {{147431, 148082, 145121}, {"", ""}}, 
   {791.6165, 0.41215378, "Meta"} -> {{1, 16012, 16432}, {"", ""}}, 
   {633.7165, 0.41170967, "Meta"} -> {{23604, 29956, 25364}, {"", ""}}, 
   {252.1202, 0.45106667, "Meta"} -> {{59781, 63182, 71951}, 
     {"Pro His [ C11 H16 N4 O3, db=76.47, overall=38.23 ]", ""}}, 
   {246.1942, 0.46209374, "Meta"} -> {{57247, 52271, 52219}, {"", ""}}, 
   {278.1842, 0.46203128, "Meta"} -> {{83666, 102099, 1}, {"", ""}}, 
   {304.1997, 0.46772003, "Meta"} -> {{32553, 33537, 35833}, {"", ""}}, 
   {218.1628, 0.46839395, "Meta"} -> {{64079, 62340, 60485}, {"", ""}}, 
   {274.1643, 0.46503848, "Meta"} -> {{22777, 48313, 26491}, 
     {"Ala Gly Lys [ C11 H22 N4 O4, db=47.47, overall=23.74 ]", ""}}, 
   {380.0201, 0.5091111, "Meta"} -> {{1, 326991, 1}, {"", ""}}, 
   {352.0515, 0.53367996, "Meta"} -> {{1, 31148, 42982}, {"", ""}}, 
   {135.068, 0.55345714, "Meta"} -> {{188290, 187551, 192285}, 
     {"2-Phenylacetamide [ C8 H9 N O, db=85.97, overall=42.98, KEGG \
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    {{79216, 100087, 88982}, {"", ""}}, {115.0629, 0.69411117, "Meta"} -> 
    {{179116, 80277, 204167}, {"Proline [ C5 H9 N O2, db=79.13, \
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   {131.0587, 0.6995, "Meta"} -> {{137479, 172834, 49062}, 
     {"Trans-4-Hydroxy-L-proline [ C5 H9 N O3, db=60.12, overall=30.06, KEGG \
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    {{1, 26229, 24992}, {"", ""}}, {380.0206, 0.6642414, "Meta"} -> 
    {{38928, 46994, 261891}, {"", ""}}, {306.0645, 0.74877775, "Meta"} -> 
    {{67053, 61082, 1}, {"", ""}}, {382.1085, 0.74347997, "Meta"} -> 
    {{43150, 43504, 44236}, {"", ""}}, {345.1429, 0.8536799, "Meta"} -> 
    {{41263, 53162, 1}, {"", ""}}, {138.0291, 0.95441395, "Meta"} -> 
    {{1, 58679, 24019}, {"", ""}}, {172.0702, 0.99353826, "Meta"} -> 
    {{2.5*^7, 1, 1}, {"", ""}}, {167.1155, 1.0165, "Meta"} -> 
    {{1, 495232, 1}, {"", ""}}, {374.102, 1.0232002, "Meta"} -> 
    {{85198, 83716, 1}, {"", ""}}, {143.0731, 1.2776923, "Meta"} -> 
    {{399986, 362023, 1}, {"", ""}}, {145.0524, 1.2775834, "Meta"} -> 
    {{703567, 640575, 651536}, {"Isoquinoline N-oxide [ C9 H7 N O, db=90.43, \
overall=45.21, KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, 
   {219.1104, 1.44356, "Meta"} -> {{52309, 41694, 41103}, 
     {"Pantothenic Acid [ C9 H17 N O5, db=54.47, overall=27.23, KEGG ID=, CAS \
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    {{1, 21469, 1}, 
     {"Pro Pro Pro [ C15 H23 N3 O4, db=83.74, overall=41.87 ]", ""}}, 
   {579.254, 6.318081, "Meta"} -> {{89572, 92191, 99969}, 
     {"2-[[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-Ethane\
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     {"", ""}}, {723.3073, 6.4805007, "Meta"} -> {{1, 49240, 50707}, 
     {"", ""}}, {420.8636, 6.645, "Meta"} -> {{45646, 52948, 55444}, 
     {"", ""}}, {414.1035, 7.120406, "Meta"} -> {{19607, 1, 26190}, 
     {"", ""}}, {1517.675, 7.538903, "Meta"} -> {{1, 1, 36239}, {"", ""}}, 
   {1106.4865, 7.75332, "Meta"} -> {{50385, 1, 103861}, {"", ""}}, 
   {427.849, 7.8510604, "Meta"} -> {{87993, 76088, 71833}, {"", ""}}, 
   {239.9882, 8.1396, "Meta"} -> {{470489, 381855, 1}, {"", ""}}, 
   {313.2252, 8.670879, "Meta"} -> {{1, 41420, 1}, {"", ""}}, 
   {465.1866, 8.675655, "Meta"} -> {{1, 32535, 1}, {"Biotripyrrin-b [ C25 H27 \
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   {602.3041, 9.497844, "Meta"} -> {{23700, 31345, 26638}, {"", ""}}, 
   {559.2988, 9.497002, "Meta"} -> {{1, 1, 26652}, {"", ""}}, 
   {263.127, 9.515958, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {420.2259, 9.685075, "Meta"} -> {{41909, 1, 35098}, 
     {"His His Lys [ C18 H28 N8 O4, db=54.50, overall=27.25 ]", ""}}, 
   {240.1338, 9.749299, "Meta"} -> {{67743, 52698, 58093}, {"", ""}}, 
   {176.0454, 9.963879, "Meta"} -> {{1, 54678, 1}, {"", ""}}, 
   {533.1125, 10.0555, "Meta"} -> {{38934, 27152, 21684}, 
     {"Indomethacin glucuronide [ C25 H24 Cl N O10, db=40.58, overall=20.29, \
KEGG ID=, CAS ID=75523-11-4 ]", "75523-11-4"}}, 
   {593.1437, 10.055286, "Meta"} -> {{50331, 36520, 27984}, {"", ""}}, 
   {536.1192, 10.055125, "Meta"} -> {{17784, 11210, 1}, {"", ""}}, 
   {335.1544, 10.10977, "Meta"} -> {{1, 25833, 29136}, 
     {"Cys Leu Thr [ C13 H25 N3 O5 S, db=37.55, overall=18.77 ]", ""}}, 
   {630.2684, 10.324069, "Meta"} -> {{66076, 50569, 65897}, {"", ""}}, 
   {219.129, 10.36744, "Meta"} -> {{43275, 51137, 240674}, {"", ""}}, 
   {250.1198, 10.418655, "Meta"} -> {{35237, 1, 1}, 
     {"Ubiquinone [ C14 H18 O4, db=60.72, overall=30.36, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {302.184, 10.730654, "Meta"} -> 
    {{42323, 42581, 30244}, {"", ""}}, {323.228, 10.9723625, "Meta"} -> 
    {{96484, 57504, 453166}, {"", ""}}, {171.162, 11.016933, "Meta"} -> 
    {{26300, 1, 1}, {"", ""}}, {564.3483, 11.143167, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {273.0832, 11.159881, "Meta"} -> 
    {{1, 1, 81943}, {"", ""}}, {503.2805, 11.289723, "Meta"} -> 
    {{1, 16401, 1}, {"", ""}}, {396.1934, 11.289607, "Meta"} -> 
    {{26038, 27172, 1}, {"Pregnenolone sulfate [ C21 H32 O5 S, db=58.26, \
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   {475.2532, 11.290502, "Meta"} -> {{1, 42323, 1}, {"", ""}}, 
   {632.2486, 11.370108, "Meta"} -> {{57326, 71604, 204448}, {"", ""}}, 
   {580.226, 11.39536, "Meta"} -> {{1, 1, 24227}, {"", ""}}, 
   {456.167, 11.397059, "Meta"} -> {{30295, 37551, 32601}, {"", ""}}, 
   {395.3032, 11.612541, "Meta"} -> {{19894, 17038, 27252}, {"", ""}}, 
   {360.3347, 11.940929, "Meta"} -> {{21173, 18308, 1}, {"", ""}}, 
   {171.1081, 11.943874, "Meta"} -> {{354711, 433714, 1}, {"", ""}}, 
   {396.2831, 12.028556, "Meta"} -> {{92045, 767775, 1}, {"", ""}}, 
   {313.2616, 12.047375, "Meta"} -> {{311138, 192056, 224965}, {"", ""}}, 
   {842.5207, 12.128361, "Meta"} -> {{146365, 1, 1}, 
     {"Spiramycin 1 [ C43 H74 N2 O14, db=60.72, overall=30.36, KEGG \
ID=C01754, CAS ID=24916-50-5 ]", "24916-50-5"}}, 
   {604.1137, 12.167592, "Meta"} -> {{11497, 9008, 21449}, {"", ""}}, 
   {381.9989, 12.185469, "Meta"} -> {{1, 14529, 29308}, {"", ""}}, 
   {572.2186, 12.2466, "Meta"} -> {{25142, 25593, 24744}, {"", ""}}, 
   {396.1641, 12.277833, "Meta"} -> {{1, 30336, 27645}, 
     {"Asn Tyr Thr [ C17 H24 N4 O7, db=61.81, overall=30.90 ]", ""}}, 
   {254.0726, 12.292558, "Meta"} -> {{31621, 21984, 52937}, 
     {"Acetaminophen-cysteine [ C11 H14 N2 O3 S, db=76.73, overall=38.36, \
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   {322.1171, 12.32875, "Meta"} -> {{39804, 1, 48091}, {"", ""}}, 
   {614.4236, 12.339584, "Meta"} -> {{1, 195951, 193693}, {"", ""}}, 
   {323.2098, 12.388596, "Meta"} -> {{71144, 62000, 69676}, 
     {"Betaxolol(hydroxylation) [ C18 H29 N O4, db=71.49, overall=35.74, KEGG \
ID=, CAS ID=87549-35-7 ]", "87549-35-7"}}, {618.251, 12.430832, "Meta"} -> 
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   {381.2643, 12.864834, "Meta"} -> {{90260, 94585, 136622}, 
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   {424.259, 13.54431, "Meta"} -> {{32482, 19158, 93791}, 
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     {"3alpha-Hydroxy-1,7-dioxo-5beta-cholan-24-oic Acid [ C24 H36 O5, \
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    {{1, 1, 19415}, {"", ""}}, {625.5645, 13.932321, "Meta"} -> 
    {{1, 1, 108283}, {"1,3-di-(9Z-octadecenoyl)-2-hydroxy-sn-glycerol-d5 [ \
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    {{1, 1, 54901}, {"", ""}}, {326.2818, 13.934208, "Meta"} -> 
    {{1, 21587, 121290}, {"14R-hydroxy-11Z-eicosenoic acid [ C20 H38 O3, \
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    {{1, 281524, 1}, {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-h\
omo-20-epivitamin D3 / (22S)-1alpha,22,25-trih [ C28 H42 O4, db=67.56, \
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   {314.2219, 14.110887, "Meta"} -> {{568995, 564381, 458970}, 
     {"Progesterone [ C21 H30 O2, db=66.34, overall=33.17, KEGG ID=, CAS \
ID=57-83-0 ]", "57-83-0"}}, {415.3467, 14.121041, "Meta"} -> 
    {{1, 1, 308653}, {"tomatidine [ C27 H45 N O2, db=66.95, overall=33.47, \
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    {{1, 1, 29133}, {"", ""}}, {1107.9249, 14.142357, "Meta"} -> 
    {{1, 1, 44505}, {"", ""}}, {889.6583, 14.144666, "Meta"} -> 
    {{1, 1, 125025}, {"", ""}}, {784.6361, 14.144617, "Meta"} -> 
    {{1, 1, 56865}, {"", ""}}, {706.5926, 14.145374, "Meta"} -> 
    {{1, 1, 123292}, {"", ""}}, {1120.8586, 14.145665, "Meta"} -> 
    {{1, 1, 23847}, {"", ""}}, {535.496, 14.138332, "Meta"} -> 
    {{1, 1, 39906}, {"", ""}}, {798.6034, 14.14996, "Meta"} -> 
    {{1, 1, 28741}, {"GPCho(18:0/19:3(9Z,12Z,15Z)[U]) [ C45 H85 N O8 P, \
db=67.76, overall=33.88, Lipid ID=LMGP01010778, KEGG ID= ]", ""}}, 
   {248.2501, 14.149543, "Meta"} -> {{1, 1, 55887}, {"", ""}}, 
   {467.2466, 14.092066, "Meta"} -> {{21831, 25665, 54157}, 
     {"Penbutolol glucuronide [ C24 H37 N O8, db=37.20, overall=18.60, KEGG \
ID=, CAS ID=86073-06-5 ]", "86073-06-5"}}, {1096.8943, 14.150332, "Meta"} -> 
    {{1, 1, 87245}, {"", ""}}, {1130.8466, 14.151208, "Meta"} -> 
    {{1, 1, 64545}, {"", ""}}, {471.2462, 14.144727, "Meta"} -> 
    {{54906, 57353, 154179}, {"", ""}}, {511.4599, 14.152822, "Meta"} -> 
    {{1, 14302, 244688}, {"", ""}}, {474.2492, 14.152304, "Meta"} -> 
    {{57664, 59411, 155153}, {"", ""}}, {431.361, 14.173369, "Meta"} -> 
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    {{1, 1, 30386}, {"", ""}}, {537.4757, 14.195916, "Meta"} -> 
    {{1, 1, 234360}, {"", ""}}, {1949.3077, 14.181482, "Meta"} -> 
    {{53839, 41127, 50894}, {"", ""}}, {1910.2386, 14.20512, "Meta"} -> 
    {{70506, 1, 75030}, {"", ""}}, {661.5622, 14.189167, "Meta"} -> 
    {{1, 1, 190663}, {"", ""}}, {342.3608, 14.2178755, "Meta"} -> 
    {{1, 1, 158865}, {"", ""}}, {381.2554, 14.218654, "Meta"} -> 
    {{1, 1, 31400}, {"", ""}}, {592.5907, 14.224184, "Meta"} -> 
    {{1, 1, 30008}, {"", ""}}, {354.3608, 14.2303095, "Meta"} -> 
    {{1, 1, 19320}, {"", ""}}, {919.6819, 14.234096, "Meta"} -> 
    {{24770, 21730, 28442}, {"", ""}}, {551.3956, 14.253501, "Meta"} -> 
    {{1, 1, 967005}, {"", ""}}, {342.255, 14.27097, "Meta"} -> 
    {{5944840, 6858485, 1.72*^7}, {"", ""}}, 
   {1114.7946, 14.253259, "Meta"} -> {{140848, 97247, 102615}, {"", ""}}, 
   {174.14, 14.273462, "Meta"} -> {{15977, 1, 44579}, {"", ""}}, 
   {540.4366, 14.265166, "Meta"} -> {{162689, 187450, 1}, {"", ""}}, 
   {537.5111, 14.26788, "Meta"} -> {{1, 1, 131969}, 
     {"N-Palmitoylsphingosine [ C34 H67 N O3, db=97.22, overall=48.61, HMP \
ID=HMDB00790, KEGG ID= ]", ""}}, {120.0925, 14.28412, "Meta"} -> 
    {{1, 1, 64076}, {"", ""}}, {493.3546, 14.284119, "Meta"} -> 
    {{1, 1, 188635}, {"", ""}}, {462.2603, 14.291335, "Meta"} -> 
    {{1, 1, 58942}, {"Retinyl glucuronide [ C26 H38 O7, db=72.43, \
overall=36.21, KEGG ID=, CAS ID=16639-19-3 ]", "16639-19-3"}}, 
   {294.165, 14.293693, "Meta"} -> {{1, 16362, 85632}, {"", ""}}, 
   {1929.2153, 14.301193, "Meta"} -> {{50249, 87868, 71011}, {"", ""}}, 
   {1919.2993, 14.301039, "Meta"} -> {{63804, 59648, 54453}, {"", ""}}, 
   {678.0978, 14.303559, "Meta"} -> {{44024, 42608, 19176}, {"", ""}}, 
   {660.1179, 14.307345, "Meta"} -> {{1, 47979, 51906}, {"", ""}}, 
   {616.0923, 14.309033, "Meta"} -> {{49849, 54473, 1}, {"", ""}}, 
   {1968.2823, 14.29344, "Meta"} -> {{59425, 1, 107901}, {"", ""}}, 
   {557.4655, 14.3256235, "Meta"} -> {{31720, 1, 92902}, {"", ""}}, 
   {210.1611, 14.326935, "Meta"} -> {{1, 14960, 34469}, 
     {"3E,5E-tridecadienoic acid [ C13 H22 O2, db=51.36, overall=25.68, Lipid \
ID=, KEGG ID= ]", ""}}, {280.2406, 14.322849, "Meta"} -> 
    {{1, 132360, 147803}, {"13E,17-octadecadienoic acid [ C18 H32 O2, \
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   {1302.9338, 14.329708, "Meta"} -> {{214229, 1, 276690}, {"", ""}}, 
   {1224.7938, 14.333634, "Meta"} -> {{83304, 80540, 1}, {"", ""}}, 
   {1158.784, 14.347498, "Meta"} -> {{1, 193929, 39110}, {"", ""}}, 
   {412.258, 14.357724, "Meta"} -> {{1.02*^7, 9856923, 8783523}, {"", ""}}, 
   {224.1775, 14.381326, "Meta"} -> {{783087, 788774, 132636}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=80.34, overall=40.17, \
Lipid ID=, KEGG ID= ]", ""}}, {540.3789, 14.368897, "Meta"} -> 
    {{1, 192635, 553227}, {"", ""}}, {266.2606, 14.390668, "Meta"} -> 
    {{1, 1, 38932}, {"3E,13Z-octadecadien-1-ol [ C18 H34 O, db=80.14, \
overall=40.07, Lipid ID=, KEGG ID= ]", ""}}, 
   {1987.2571, 14.389832, "Meta"} -> {{78881, 37990, 1}, {"", ""}}, 
   {644.4889, 14.399479, "Meta"} -> {{1, 1, 172911}, {"", ""}}, 
   {782.5681, 14.399292, "Meta"} -> {{1, 278884, 1081170}, 
     {"GPCho(18:1(9Z)/18:3(9Z,12Z,15Z)[U]) [ C44 H81 N O8 P, db=94.15, \
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   {1982.2996, 14.399588, "Meta"} -> {{77742, 86115, 1}, {"", ""}}, 
   {1977.3427, 14.395542, "Meta"} -> {{1, 66272, 42627}, {"", ""}}, 
   {415.3658, 14.408801, "Meta"} -> {{64008, 65746, 200036}, {"", ""}}, 
   {1894.2448, 14.404812, "Meta"} -> {{186735, 144141, 116305}, {"", ""}}, 
   {539.2676, 14.406583, "Meta"} -> {{12338, 1, 29550}, {"", ""}}, 
   {258.1832, 14.399001, "Meta"} -> {{22386, 18876, 82564}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=63.45, overall=31.73, \
Lipid ID=, KEGG ID= ]", ""}}, {1674.1147, 14.420113, "Meta"} -> 
    {{263179, 238022, 246081}, {"", ""}}, {1669.1595, 14.419, "Meta"} -> 
    {{164478, 1, 142990}, {"", ""}}, {607.7394, 14.417484, "Meta"} -> 
    {{1, 33073, 37567}, {"", ""}}, {690.5302, 14.423751, "Meta"} -> 
    {{1, 1, 95602}, {"", ""}}, {410.3766, 14.434156, "Meta"} -> 
    {{38542, 1, 113759}, {"", ""}}, {1458.941, 14.442542, "Meta"} -> 
    {{97190, 123878, 156081}, {"", ""}}, {1360.9753, 14.447921, "Meta"} -> 
    {{93778, 1, 1}, {"", ""}}, {415.4019, 14.450322, "Meta"} -> 
    {{9735, 1, 28302}, {"", ""}}, {1326.8624, 14.456611, "Meta"} -> 
    {{57727, 43120, 1}, {"", ""}}, {433.3763, 14.454422, "Meta"} -> 
    {{1, 1, 71468}, {"(+/-)N-(2-fluro-ethyl)-2,16,16-trimethyl-5Z,8Z,11Z,14Z-\
tricosatetraenoyl amine [ C28 H48 F N O, db=67.24, overall=33.62, Lipid ID=, \
KEGG ID= ]", ""}}, {450.3702, 14.42675, "Meta"} -> 
    {{1, 1, 377572}, {"3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-one [ \
C28 H50 O4, db=86.51, overall=43.25, Lipid ID=, KEGG ID= ]", ""}}, 
   {998.7598, 14.480124, "Meta"} -> {{1, 1, 48147}, {"", ""}}, 
   {568.4706, 14.499832, "Meta"} -> {{780546, 125126, 123475}, {"", ""}}, 
   {640.1112, 14.502998, "Meta"} -> {{1, 1, 56724}, {"", ""}}, 
   {537.4164, 14.511375, "Meta"} -> {{1, 1, 1182222}, {"", ""}}, 
   {1859.2772, 14.508418, "Meta"} -> {{89964, 1, 88952}, {"", ""}}, 
   {820.8858, 14.511085, "Meta"} -> {{1, 54139, 35512}, 
     {"Iohexol [ C19 H26 I3 N3 O9, db=28.84, overall=14.42, KEGG ID=, CAS \
ID=66108-95-0 ]", "66108-95-0"}}, {403.3657, 14.511079, "Meta"} -> 
    {{1, 1, 117627}, {"", ""}}, {484.3078, 14.513251, "Meta"} -> 
    {{1, 1, 18601}, {"", ""}}, {556.449, 14.513818, "Meta"} -> 
    {{189877, 1, 183695}, {"", ""}}, {1727.2, 14.51852, "Meta"} -> 
    {{112532, 129171, 121331}, {"", ""}}, {371.3507, 14.486881, "Meta"} -> 
    {{1, 17429, 22805}, {"", ""}}, {1428.9324, 14.556345, "Meta"} -> 
    {{47758, 31228, 45596}, {"", ""}}, {246.2343, 14.558037, "Meta"} -> 
    {{1, 16943, 42657}, {"Dodecylbenzene [ C18 H30, db=85.43, overall=42.71, \
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    {{1, 1, 52205}, {"", ""}}, {353.239, 14.559209, "Meta"} -> 
    {{1, 1, 69101}, {"", ""}}, {320.307, 14.586639, "Meta"} -> 
    {{1, 1, 13020}, {"", ""}}, {674.1341, 14.583749, "Meta"} -> 
    {{24880, 1, 36001}, {"", ""}}, {1922.2782, 14.597296, "Meta"} -> 
    {{123585, 106248, 102325}, {"", ""}}, {648.6536, 14.599898, "Meta"} -> 
    {{1, 11325, 70757}, {"", ""}}, {721.5625, 14.639969, "Meta"} -> 
    {{1, 37362, 86555}, {"", ""}}, {796.2077, 14.596042, "Meta"} -> 
    {{1, 1, 48446}, {"", ""}}, {356.3766, 14.611617, "Meta"} -> 
    {{13755, 20501, 122319}, {"", ""}}, {729.6274, 14.614373, "Meta"} -> 
    {{1, 1, 88680}, {"", ""}}, {616.4684, 14.621041, "Meta"} -> 
    {{1.77*^7, 1.42*^7, 6142418}, {"", ""}}, {292.1672, 14.630277, "Meta"} -> 
    {{1, 1, 311747}, {"", ""}}, {783.0571, 14.639333, "Meta"} -> 
    {{34368, 43743, 54340}, {"", ""}}, {516.2764, 14.643195, "Meta"} -> 
    {{1, 1, 193140}, {"", ""}}, {126.1405, 14.642334, "Meta"} -> 
    {{1, 1, 235051}, {"", ""}}, {449.3507, 14.649598, "Meta"} -> 
    {{1, 1, 403384}, {"", ""}}, {714.5294, 14.645124, "Meta"} -> 
    {{213404, 234378, 136605}, {"1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-(4\
Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol [ C47 H70 O5, db=26.90, \
overall=13.45, KEGG ID=, CAS ID= ]", ""}}, {148.0158, 14.662999, "Meta"} -> 
    {{1, 1, 495507}, {"", ""}}, {1975.3611, 14.680179, "Meta"} -> 
    {{35817, 49249, 1}, {"", ""}}, {1304.9498, 14.676501, "Meta"} -> 
    {{1, 1, 165055}, {"", ""}}, {1288.9882, 14.677895, "Meta"} -> 
    {{40907, 32060, 97822}, {"", ""}}, {314.2456, 14.663063, "Meta"} -> 
    {{501887, 454677, 167637}, {"Octadecanedioic acid [ C18 H34 O4, db=84.30, \
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   {1887.3066, 14.691118, "Meta"} -> {{36731, 52040, 43168}, {"", ""}}, 
   {718.5628, 14.687387, "Meta"} -> {{1, 104305, 345366}, {"", ""}}, 
   {623.4396, 14.6919565, "Meta"} -> {{1, 1, 35511}, {"", ""}}, 
   {645.6059, 14.685749, "Meta"} -> {{1, 1, 64122}, {"", ""}}, 
   {628.3971, 14.698038, "Meta"} -> {{22458, 98947, 43130}, {"", ""}}, 
   {1843.2805, 14.697259, "Meta"} -> {{1, 51322, 1}, {"", ""}}, 
   {648.5186, 14.694042, "Meta"} -> {{1, 1, 154381}, {"", ""}}, 
   {408.3972, 14.705543, "Meta"} -> {{1, 1, 60391}, 
     {"2,4-dimethyl-2-pentacosenoic acid [ C27 H52 O2, db=74.43, \
overall=37.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {1226.7506, 14.711852, "Meta"} -> {{1, 1, 192585}, 
     {"Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=97.82, \
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   {645.4183, 14.717676, "Meta"} -> {{234469, 204858, 106079}, {"", ""}}, 
   {698.468, 14.730161, "Meta"} -> {{1, 1, 65065}, {"", ""}}, 
   {758.5008, 14.730802, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {337.2991, 14.743073, "Meta"} -> {{70692, 97318, 155405}, {"", ""}}, 
   {567.4826, 14.741691, "Meta"} -> {{1, 43661, 1}, {"", ""}}, 
   {335.2823, 14.734916, "Meta"} -> {{1, 149732, 1}, {"", ""}}, 
   {224.1774, 14.743076, "Meta"} -> {{18547, 46558, 40860}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=58.15, overall=29.08, \
Lipid ID=, KEGG ID= ]", ""}}, {311.2823, 14.741, "Meta"} -> 
    {{1, 57218, 212335}, {"", ""}}, {410.3415, 14.759458, "Meta"} -> 
    {{132397, 1, 1}, {"", ""}}, {578.4528, 14.761768, "Meta"} -> 
    {{1, 1, 76276}, {"", ""}}, {821.8807, 14.768291, "Meta"} -> 
    {{30846, 1, 35553}, {"", ""}}, {454.306, 14.7669325, "Meta"} -> 
    {{79842, 1, 705798}, {"26,26,26-trifluoro-25-hydroxyvitamin D3 / \
26,26,26-trifluoro-25-hydroxycholecalciferol [ C27 H41 F3 O2, db=96.49, \
overall=48.25, Lipid ID=LMST03020131, KEGG ID= ]", ""}}, 
   {754.4952, 14.762309, "Meta"} -> {{1, 35386, 61475}, {"", ""}}, 
   {544.4848, 14.776436, "Meta"} -> {{57708, 61464, 66149}, {"", ""}}, 
   {1023.6713, 14.774457, "Meta"} -> {{1, 1, 136889}, 
     {"Trihexosylceramide (d18:1/16:0) [ C52 H97 N O18, db=90.02, \
overall=45.01, HMP ID=HMDB04879, KEGG ID= ]", ""}}, 
   {278.1698, 14.775679, "Meta"} -> {{1, 35812, 45079}, {"", ""}}, 
   {647.6214, 14.772876, "Meta"} -> {{1, 1, 58161}, 
     {"Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, db=98.12, overall=49.06, \
HMP ID=HMDB04953, KEGG ID= ]", ""}}, {434.3759, 14.783721, "Meta"} -> 
    {{33276, 1, 43624}, {"6-deoxoteasterone [ C28 H50 O3, db=63.15, \
overall=31.57, Lipid ID=LMST01030120, KEGG ID= ]", ""}}, 
   {724.4845, 14.780425, "Meta"} -> {{1, 1, 29484}, {"", ""}}, 
   {406.3782, 14.821377, "Meta"} -> {{7793, 12210, 37300}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=55.72, \
overall=27.86, Lipid ID=, KEGG ID= ]", ""}}, {704.5472, 14.802679, "Meta"} -> 
    {{1, 1, 74955}, {"", ""}}, {1249.0677, 14.813335, "Meta"} -> 
    {{24716, 1, 49446}, {"", ""}}, {843.4971, 14.847156, "Meta"} -> 
    {{14016, 20732, 113624}, {"", ""}}, {2045.5883, 14.842042, "Meta"} -> 
    {{1, 1, 26796}, {"", ""}}, {2720.1182, 14.840377, "Meta"} -> 
    {{1, 1, 125074}, {"", ""}}, {2061.5564, 14.8452215, "Meta"} -> 
    {{1, 1, 274448}, {"", ""}}, {1239.9836, 14.848166, "Meta"} -> 
    {{1, 1, 90308}, {"", ""}}, {1387.0208, 14.848454, "Meta"} -> 
    {{62522, 99555, 646178}, {"", ""}}, {565.4473, 14.858251, "Meta"} -> 
    {{1, 1, 556755}, {"", ""}}, {1226.951, 14.852665, "Meta"} -> 
    {{1, 1, 54102}, {"", ""}}, {1419.0518, 14.88988, "Meta"} -> 
    {{1, 24545, 26170}, {"", ""}}, {455.3974, 14.8894205, "Meta"} -> 
    {{40390, 18240, 23502}, {"", ""}}, {483.4287, 14.892069, "Meta"} -> 
    {{59159, 31127, 23825}, {"", ""}}, {1375.0894, 14.895823, "Meta"} -> 
    {{1, 23319, 1282101}, {"", ""}}, {469.413, 14.892142, "Meta"} -> 
    {{251732, 158227, 119681}, {"", ""}}, {280.2035, 14.893897, "Meta"} -> 
    {{59767, 26765, 39584}, 
     {"12S-HHTrE [ C17 H28 O3, db=88.18, overall=44.09, KEGG ID=, CAS ID= ]", 
      ""}}, {2113.588, 14.897228, "Meta"} -> {{1, 1, 120574}, {"", ""}}, 
   {1292.0153, 14.903293, "Meta"} -> {{1, 1, 283377}, {"", ""}}, 
   {2139.604, 14.913654, "Meta"} -> {{1, 34802, 424739}, {"", ""}}, 
   {1521.0576, 14.912457, "Meta"} -> {{1, 1, 41236}, {"", ""}}, 
   {738.4997, 14.919686, "Meta"} -> {{465254, 386302, 1399587}, {"", ""}}, 
   {1885.4286, 14.923374, "Meta"} -> {{1, 1, 35756}, {"", ""}}, 
   {892.7136, 14.926122, "Meta"} -> {{87836, 37425, 92682}, {"", ""}}, 
   {406.3781, 14.850402, "Meta"} -> {{12726, 1, 50771}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=63.39, \
overall=31.69, Lipid ID=, KEGG ID= ]", ""}}, {607.4578, 14.934502, "Meta"} -> 
    {{1, 1, 110210}, {"", ""}}, {1389.1053, 14.947632, "Meta"} -> 
    {{1, 1, 1286334}, {"", ""}}, {1363.0868, 14.951377, "Meta"} -> 
    {{1, 1, 168872}, {"", ""}}, {1415.0522, 14.961962, "Meta"} -> 
    {{1, 1, 230628}, {"", ""}}, {857.512, 14.964919, "Meta"} -> 
    {{1, 1, 60932}, {"", ""}}, {1142.867, 14.976418, "Meta"} -> 
    {{1, 1, 24626}, {"", ""}}, {1266.9861, 14.97788, "Meta"} -> 
    {{1, 1, 99485}, {"", ""}}, {1154.8688, 14.982498, "Meta"} -> 
    {{1, 1, 55669}, {"", ""}}, {390.277, 15.002232, "Meta"} -> 
    {{1, 1, 302947}, {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 \
H38 O4, db=85.91, overall=42.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {752.5832, 15.019201, "Meta"} -> {{1, 1, 90844}, {"", ""}}, 
   {484.3526, 15.004758, "Meta"} -> {{32444, 27474, 103296}, 
     {"(22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimethyl-23,24-tetradehydro-\
20-epivitamin D3 / (22S)-1alph [ C31 H48 O4, db=66.11, overall=33.06, Lipid \
ID=LMST03020487, KEGG ID= ]", ""}}, {367.3811, 15.008845, "Meta"} -> 
    {{1, 1, 90143}, {"", ""}}, {677.5002, 15.038733, "Meta"} -> 
    {{1, 1, 200926}, {"GPEtn(13:0/18:0)[U] [ C36 H72 N O8 P, db=95.91, \
overall=47.95, Lipid ID=LMGP02010240, KEGG ID= ]", ""}}, 
   {1391.1198, 15.0320015, "Meta"} -> {{1, 1, 290138}, {"", ""}}, 
   {1454.0837, 15.034749, "Meta"} -> {{1, 1, 126467}, {"", ""}}, 
   {1380.0681, 15.047085, "Meta"} -> {{1, 1, 150747}, {"", ""}}, 
   {755.4903, 15.05794, "Meta"} -> {{127622, 147898, 150104}, {"", ""}}, 
   {784.5607, 15.058108, "Meta"} -> {{1, 30990, 99533}, {"", ""}}, 
   {758.4878, 15.060915, "Meta"} -> {{343323, 282533, 528250}, {"", ""}}, 
   {818.5122, 15.060144, "Meta"} -> {{379381, 223922, 179476}, {"", ""}}, 
   {737.5, 15.062039, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1283.0142, 15.076242, "Meta"} -> {{296405, 304912, 104575}, {"", ""}}, 
   {2171.6577, 15.092257, "Meta"} -> {{1, 64396, 100583}, {"", ""}}, 
   {995.0105, 15.10904, "Meta"} -> {{45187, 49837, 1}, {"", ""}}, 
   {488.4462, 15.100375, "Meta"} -> {{1, 1, 11797}, {"", ""}}, 
   {1469.0988, 15.108223, "Meta"} -> {{1, 172575, 184680}, {"", ""}}, 
   {1506.1136, 15.1095, "Meta"} -> {{1, 1, 247258}, {"", ""}}, 
   {471.3568, 15.111719, "Meta"} -> {{1, 1, 43303}, {"", ""}}, 
   {1322.0612, 15.118584, "Meta"} -> {{1, 1, 41314}, {"", ""}}, 
   {828.6716, 15.138119, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {593.4785, 15.136201, "Meta"} -> {{1, 1, 440827}, {"", ""}}, 
   {697.5053, 15.145536, "Meta"} -> {{1, 24640, 91021}, 
     {"1-tetrahexanoyl-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolam\
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     {"Ceramide (d18:1/22:0) [ C40 H79 N O3, db=87.19, overall=43.60, HMP \
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   {582.4434, 15.824362, "Meta"} -> {{1, 1, 45082}, 
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    {{1, 29686, 128864}, {"Tricosanamide [ C41 H81 N O3, db=95.86, \
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   {564.3964, 15.855876, "Meta"} -> {{1, 1, 29329}, 
     {"Alloxanthin/ Tetradehydrozeaxanthin / (Cynthiaxanthin)/ \
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   {684.6018, 16.037434, "Meta"} -> {{25605, 1, 155090}, {"", ""}}, 
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   {398.103, 10.056501, "Meta"} -> {{149565, 159643, 162799}, 
     {"7-Deoxyadriamycinone [ C21 H18 O8, db=72.55, overall=36.27, KEGG ID=, \
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   {842.5152, 0.37236363, "Meta"} -> {{1, 63370, 58377}, 
     {"Spiramycin 1 [ C43 H74 N2 O14, db=50.52, overall=25.26, KEGG \
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   {611.9799, 0.37734482, "Meta"} -> {{143357, 135327, 142032}, {"", ""}}, 
   {857.9875, 0.3774839, "Meta"} -> {{54442, 46516, 50859}, {"", ""}}, 
   {1413.9979, 0.38107693, "Meta"} -> {{53761, 1, 43893}, {"", ""}}, 
   {1331.9816, 0.38222224, "Meta"} -> {{51115, 47108, 43459}, {"", ""}}, 
   {1495.995, 0.38175866, "Meta"} -> {{48080, 45790, 48841}, {"", ""}}, 
   {1249.9858, 0.38258335, "Meta"} -> {{1, 49060, 44028}, {"", ""}}, 
   {1167.9846, 0.38393104, "Meta"} -> {{39206, 1, 35191}, {"", ""}}, 
   {571.9606, 0.3881667, "Meta"} -> {{1, 196540, 203264}, {"", ""}}, 
   {489.9575, 0.38891178, "Meta"} -> {{1, 285463, 278901}, {"", ""}}, 
   {407.9539, 0.38981822, "Meta"} -> {{1, 335813, 333896}, {"", ""}}, 
   {325.9501, 0.3924723, "Meta"} -> {{249438, 240528, 232794}, {"", ""}}, 
   {465.9127, 0.39305556, "Meta"} -> {{214959, 209320, 201999}, {"", ""}}, 
   {259.9214, 0.39474198, "Meta"} -> {{1, 144597, 139050}, {"", ""}}, 
   {605.8735, 0.39525005, "Meta"} -> {{110203, 1, 1}, {"", ""}}, 
   {243.9473, 0.3973611, "Meta"} -> {{1309541, 1291346, 1265584}, {"", ""}}, 
   {383.9092, 0.39772224, "Meta"} -> {{239177, 229436, 225193}, {"", ""}}, 
   {523.872, 0.3975429, "Meta"} -> {{147401, 143111, 119291}, {"", ""}}, 
   {581.8306, 0.40027776, "Meta"} -> {{126537, 122913, 120226}, {"", ""}}, 
   {639.7888, 0.40351427, "Meta"} -> {{110245, 109216, 111996}, {"", ""}}, 
   {441.8685, 0.4018334, "Meta"} -> {{221822, 214886, 210155}, {"", ""}}, 
   {697.7475, 0.40715998, "Meta"} -> {{99710, 93172, 87576}, {"", ""}}, 
   {499.8273, 0.40608332, "Meta"} -> {{172705, 167376, 172059}, {"", ""}}, 
   {615.7448, 0.40847063, "Meta"} -> {{145836, 139561, 26042}, {"", ""}}, 
   {301.9058, 0.40786114, "Meta"} -> {{258670, 251685, 250101}, {"", ""}}, 
   {673.7031, 0.41129026, "Meta"} -> {{1, 94936, 92784}, {"", ""}}, 
   {359.8649, 0.41030556, "Meta"} -> {{204070, 189209, 190095}, {"", ""}}, 
   {417.8229, 0.4105714, "Meta"} -> {{221646, 222456, 216363}, {"", ""}}, 
   {755.7073, 0.41121435, "Meta"} -> {{1, 65539, 63553}, {"", ""}}, 
   {475.7822, 0.41099995, "Meta"} -> {{164235, 162240, 158843}, {"", ""}}, 
   {575.7568, 0.41006452, "Meta"} -> {{24597, 20575, 27945}, {"", ""}}, 
   {219.9025, 0.4121111, "Meta"} -> {{479442, 465116, 462325}, {"", ""}}, 
   {651.6545, 0.41184002, "Meta"} -> {{64661, 63354, 1}, 
     {"Cer(d18:0/24:0) [ C42 H85 N O3, db=58.22, overall=29.11, Lipid \
ID=LMSP02020012, KEGG ID= ]", ""}}, {593.6968, 0.41163632, "Meta"} -> 
    {{98099, 92201, 89768}, {"", ""}}, {277.8617, 0.41355553, "Meta"} -> 
    {{1, 254581, 252832}, {"", ""}}, {161.944, 0.4130858, "Meta"} -> 
    {{232869, 248658, 241209}, {"", ""}}, {607.0989, 0.41675, "Meta"} -> 
    {{31114, 30064, 32374}, {"", ""}}, {525.0954, 0.41841662, "Meta"} -> 
    {{67531, 73771, 69963}, {"Sertraline Carbamic acid glucuronide [ C24 H25 \
Cl2 N O8, db=66.50, overall=33.25, KEGG ID=, CAS ID=119733-44-7 ]", 
      "119733-44-7"}}, {377.0618, 0.41700003, "Meta"} -> 
    {{27922, 25806, 24720}, {"", ""}}, {295.0595, 0.42075, "Meta"} -> 
    {{235913, 226323, 241201}, {"5-Aminoimidazole ribonucleotide [ C8 H14 N3 \
O7 P, db=61.18, overall=30.59, HMP ID=HMDB01235, KEGG ID= ]", ""}}, 
   {361.0891, 0.4204722, "Meta"} -> {{437357, 432198, 465603}, 
     {"His Cys Cys [ C12 H19 N5 O4 S2, db=74.60, overall=37.30 ]", ""}}, 
   {443.0923, 0.42244443, "Meta"} -> {{88536, 91606, 96679}, {"", ""}}, 
   {536.1894, 0.42578793, "Meta"} -> {{109126, 125240, 140491}, {"", ""}}, 
   {342.008, 0.44034287, "Meta"} -> {{52119, 64690, 64454}, {"", ""}}, 
   {279.085, 0.43405554, "Meta"} -> {{2252459, 2541911, 2606758}, {"", ""}}, 
   {284.0491, 0.4420606, "Meta"} -> {{62636, 60570, 55018}, {"", ""}}, 
   {103.0999, 0.44377777, "Meta"} -> {{340704, 341705, 304171}, {"", ""}}, 
   {481.9704, 0.44212005, "Meta"} -> {{8713, 1, 1}, {"", ""}}, 
   {183.0875, 0.44372222, "Meta"} -> {{361108, 316203, 341552}, {"", ""}}, 
   {224.0281, 0.4447647, "Meta"} -> {{144455, 164764, 163399}, 
     {"Cys Cys [ C6 H12 N2 O3 S2, db=64.23, overall=32.11 ]", ""}}, 
   {457.0211, 0.45377782, "Meta"} -> {{15233, 1, 17373}, {"", ""}}, 
   {135.0411, 0.4499394, "Meta"} -> {{698995, 656360, 706741}, {"", ""}}, 
   {262.078, 0.45158333, "Meta"} -> {{280343, 280150, 276127}, 
     {"Asp Glu [ C9 H14 N2 O7, db=81.80, overall=40.90 ]", ""}}, 
   {202.0446, 0.45386112, "Meta"} -> {{7915439, 8099622, 7542381}, {"", ""}}, 
   {159.0275, 0.45163885, "Meta"} -> {{80914, 73535, 74051}, {"", ""}}, 
   {220.1785, 0.4556666, "Meta"} -> {{101669, 104362, 99287}, {"", ""}}, 
   {404.092, 0.45348275, "Meta"} -> {{45076, 42571, 42947}, {"", ""}}, 
   {315.1044, 0.4536389, "Meta"} -> {{267802, 253868, 250698}, {"", ""}}, 
   {320.036, 0.4549231, "Meta"} -> {{1, 18668, 21300}, {"", ""}}, 
   {382.1086, 0.45669445, "Meta"} -> {{3228199, 3062829, 3015583}, {"", ""}}, 
   {396.1638, 0.4501666, "Meta"} -> {{23018, 24433, 29391}, 
     {"Asn Tyr Thr [ C17 H24 N4 O7, db=83.05, overall=41.53 ]", ""}}, 
   {113.059, 0.45647225, "Meta"} -> {{551114, 661251, 481490}, 
     {"Creatinine [ C4 H7 N3 O, db=69.36, overall=34.68, KEGG ID=C00791, CAS \
ID=60-27-5 ]", "60-27-5"}}, {339.0908, 0.4577187, "Meta"} -> 
    {{16075, 1, 16656}, 
     {"Cys Ser Met [ C11 H21 N3 O5 S2, db=57.09, overall=28.54 ]", ""}}, 
   {337.0433, 0.45780003, "Meta"} -> {{304140, 324075, 317647}, 
     {"Famotidine [ C8 H15 N7 O2 S3, db=57.43, overall=28.71, KEGG ID=C06994, \
CAS ID=76824-35-6 ]", "76824-35-6"}}, {114.0292, 0.45835483, "Meta"} -> 
    {{129245, 132066, 150297}, {"", ""}}, {174.1111, 0.46506065, "Meta"} -> 
    {{75228, 68693, 77117}, {"Arginine [ C6 H14 N4 O2, db=51.57, \
overall=25.79, KEGG ID=C00062, CAS ID=74-79-3 ]", "74-79-3"}}, 
   {131.0692, 0.46048486, "Meta"} -> {{1, 166518, 165560}, 
     {"Creatine [ C4 H9 N3 O2, db=99.16, overall=49.58, KEGG ID=C00300, CAS \
ID=6020-87-7 ]", "6020-87-7"}}, {317.9624, 0.46102777, "Meta"} -> 
    {{229449, 215023, 209551}, {"", ""}}, {260.0039, 0.4610556, "Meta"} -> 
    {{633565, 637766, 608493}, {"", ""}}, {139.0609, 0.45847225, "Meta"} -> 
    {{977273, 920509, 923140}, {"", ""}}, {375.9207, 0.46166673, "Meta"} -> 
    {{162484, 159720, 134910}, {"", ""}}, {498.0259, 0.46341926, "Meta"} -> 
    {{42798, 45988, 46768}, {"", ""}}, {161.1053, 0.46408334, "Meta"} -> 
    {{1703652, 1639899, 1716685}, {"", ""}}, {366.1134, 0.4641667, "Meta"} -> 
    {{79528, 75049, 70735}, {"", ""}}, {440.0675, 0.46469444, "Meta"} -> 
    {{182329, 165356, 166913}, {"", ""}}, {175.0959, 0.4649032, "Meta"} -> 
    {{34852, 26304, 36386}, {"Citrulline [ C6 H13 N3 O3, db=47.39, \
overall=23.69, KEGG ID=C00327, CAS ID=372-75-8 ]", "372-75-8"}}, 
   {115.0636, 0.4639722, "Meta"} -> {{971370, 944839, 926865}, 
     {"Proline [ C5 H9 N O2, db=87.30, overall=43.65, KEGG ID=C00148, CAS \
ID=147-85-3 ]", "147-85-3"}}, {256.1436, 0.4642592, "Meta"} -> 
    {{149705, 156696, 152367}, {"", ""}}, {399.0646, 0.4658, "Meta"} -> 
    {{35232, 31579, 1}, {"", ""}}, {192.1473, 0.46303123, "Meta"} -> 
    {{71644, 66088, 64024}, {"", ""}}, {341.1066, 0.46715382, "Meta"} -> 
    {{34454, 32759, 31814}, 
     {"Tyr Cys Gly [ C14 H19 N3 O5 S, db=77.47, overall=38.73 ]", ""}}, 
   {248.1483, 0.46862853, "Meta"} -> {{28559, 28484, 28265}, {"", ""}}, 
   {159.1256, 0.47108328, "Meta"} -> {{238605, 231123, 221342}, 
     {"DL-2-Aminooctanoic acid [ C8 H17 N O2, db=86.92, overall=43.46, HMP \
ID=HMDB00991, KEGG ID= ]", ""}}, {60.0325, 0.47265622, "Meta"} -> 
    {{224879, 1, 1}, {"Urea [ C H4 N2 O, db=87.80, overall=43.90, KEGG \
ID=C00086, CAS ID=57-13-6 ]", "57-13-6"}}, {297.1425, 0.47046667, "Meta"} -> 
    {{243305, 231560, 231119}, 
     {"Ala His Ala [ C12 H19 N5 O4, db=91.10, overall=45.55 ]", ""}}, 
   {117.0784, 0.47286117, "Meta"} -> {{5132786, 4930657, 4986637}, 
     {"5-Aminopentanoic acid [ C5 H11 N O2, db=96.95, overall=48.48, HMP \
ID=HMDB03355, KEGG ID= ]", ""}}, {222.0852, 0.47502783, "Meta"} -> 
    {{63897, 63859, 63422}, {"", ""}}, {302.184, 0.47386664, "Meta"} -> 
    {{25716, 23970, 1}, {"", ""}}, {240.0955, 0.47499996, "Meta"} -> 
    {{60562, 53023, 56308}, {"", ""}}, {143.0945, 0.4738333, "Meta"} -> 
    {{846713, 900464, 1020030}, {"Triparanol [ C7 H13 N O2, db=69.83, \
overall=34.92, HMP ID=HMDB01378, KEGG ID= ]", ""}}, 
   {228.1473, 0.47896966, "Meta"} -> {{192792, 315784, 290614}, 
     {"Leu Pro [ C11 H20 N2 O3, db=61.48, overall=30.74 ]", ""}}, 
   {257.1031, 0.48044443, "Meta"} -> {{1361800, 1456633, 1541346}, 
     {"5-Methylcytidine [ C10 H15 N3 O5, db=85.28, overall=42.64, HMP \
ID=HMDB00982, KEGG ID=, CAS ID=2140-61-6 ]", "2140-61-6"}}, 
   {71.074, 0.48255876, "Meta"} -> {{740218, 706438, 714337}, {"", ""}}, 
   {157.1101, 0.4915172, "Meta"} -> {{17857, 1, 1}, 
     {"Tranexamic acid [ C8 H15 N O2, db=82.75, overall=41.37, KEGG \
ID=C12535, CAS ID=1197-18-8 ]", "1197-18-8"}}, 
   {144.042, 0.48648572, "Meta"} -> {{139376, 124446, 143937}, 
     {"(E)-2-Methylglutaconic acid [ C6 H8 O4, db=81.83, overall=40.91, HMP \
ID=HMDB02266, KEGG ID= ]", ""}}, {240.1471, 0.48564285, "Meta"} -> 
    {{21981, 27461, 26868}, {"", ""}}, {162.0524, 0.48472, "Meta"} -> 
    {{177126, 156476, 169736}, {"2-Hydroxyadipic acid [ C6 H10 O5, db=74.88, \
overall=37.44, HMP ID=HMDB00321, KEGG ID= ]", ""}}, 
   {307.0891, 0.4947, "Meta"} -> {{19714, 1, 15429}, 
     {"Succinyllipoic acid [ C12 H21 N O4 S2, db=34.62, overall=17.31, HMP \
ID=HMDB01012, KEGG ID= ]", ""}}, {247.9688, 0.49561107, "Meta"} -> 
    {{145865, 79073, 130450}, {"", ""}}, {198.0384, 0.50133336, "Meta"} -> 
    {{105112, 1, 130007}, {"", ""}}, {168.0283, 0.50608325, "Meta"} -> 
    {{1488699, 1895023, 1534149}, {"Uric acid [ C5 H4 N4 O3, db=97.37, \
overall=48.69, KEGG ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, 
   {191.0248, 0.5051143, "Meta"} -> {{97406, 80867, 72469}, {"", ""}}, 
   {348.0916, 0.5082572, "Meta"} -> {{111514, 98806, 91585}, {"", ""}}, 
   {280.0422, 0.50655884, "Meta"} -> {{44052, 20949, 31155}, {"", ""}}, 
   {133.9952, 0.5028, "Meta"} -> {{338929, 1, 304543}, {"", ""}}, 
   {129.0423, 0.50794446, "Meta"} -> {{374704, 368001, 626480}, 
     {"Pyroglutamic acid [ C5 H7 N O3, db=86.82, overall=43.41, KEGG \
ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, {309.1056, 0.5132, "Meta"} -> 
    {{43390, 43889, 1}, {"N-Acetyl-a-neuraminic acid [ C11 H19 N O9, \
db=51.18, overall=25.59, HMP ID=HMDB00773, KEGG ID= ]", ""}}, 
   {548.0497, 0.5119356, "Meta"} -> {{19873, 1, 1}, {"", ""}}, 
   {112.0135, 0.51612, "Meta"} -> {{1070015, 1412973, 1008161}, {"", ""}}, 
   {396.0151, 0.5267038, "Meta"} -> {{1, 47394, 1}, {"", ""}}, 
   {393.0659, 0.53931427, "Meta"} -> {{57235, 69526, 38876}, 
     {"5-Hydroxythiabendazole glucuronide [ C16 H15 N3 O7 S, db=55.85, \
overall=27.93, KEGG ID=, CAS ID=6801-82-7 ]", "6801-82-7"}}, 
   {185.1047, 0.54106057, "Meta"} -> {{48874, 67873, 50879}, 
     {"Ecgonine [ C9 H15 N O3, db=82.32, overall=41.16, KEGG ID=, CAS \
ID=481-37-8 ]", "481-37-8"}}, {159.068, 0.54042304, "Meta"} -> 
    {{1, 40721, 1}, {"Indoleacetaldehyde [ C10 H9 N O, db=55.69, \
overall=27.85, HMP ID=HMDB01190, KEGG ID= ]", ""}}, 
   {132.0244, 0.54202855, "Meta"} -> {{93862, 95919, 88802}, {"", ""}}, 
   {149.0507, 0.54125, "Meta"} -> {{875763, 976329, 865671}, 
     {"Methionine [ C5 H11 N O2 S, db=99.04, overall=49.52, KEGG ID=C00073, \
CAS ID=63-68-3 ]", "63-68-3"}}, {279.1315, 0.54772216, "Meta"} -> 
    {{81975, 68269, 85883}, {"", ""}}, {164.047, 0.5517223, "Meta"} -> 
    {{168273, 179650, 160406}, {"p-Coumaric acid [ C9 H8 O3, db=86.35, \
overall=43.17, KEGG ID=, CAS ID=7400-08-0 ]", "7400-08-0"}}, 
   {181.0737, 0.5518889, "Meta"} -> {{1929648, 2052780, 1872965}, 
     {"Tyrosine [ C9 H11 N O3, db=99.43, overall=49.71, KEGG ID=C00082, CAS \
ID=60-18-4 ]", "60-18-4"}}, {122.0354, 0.55100006, "Meta"} -> 
    {{252788, 289245, 245925}, {"", ""}}, {321.1047, 0.5580909, "Meta"} -> 
    {{1, 92512, 51212}, {"", ""}}, {311.1578, 0.55884373, "Meta"} -> 
    {{277036, 1, 58743}, 
     {"Gly Val His [ C13 H21 N5 O4, db=80.96, overall=40.48 ]", ""}}, 
   {131.0946, 0.5592222, "Meta"} -> {{1.82*^7, 2.04*^7, 1.88*^7}, 
     {"Leucine [ C6 H13 N O2, db=99.82, overall=49.91, KEGG ID=C00123, CAS \
ID=61-90-5 ]", "61-90-5"}}, {85.0889, 0.5585, "Meta"} -> 
    {{2368458, 2302547, 2322759}, {"", ""}}, 
   {175.0582, 0.55870366, "Meta"} -> {{188341, 188243, 157150}, 
     {"Guanidinosuccinic Acid [ C5 H9 N3 O4, db=74.59, overall=37.29, KEGG \
ID=C03139, CAS ID=6133-30-8 ]", "6133-30-8"}}, 
   {230.0767, 0.58708334, "Meta"} -> {{29492, 1, 1}, {"", ""}}, 
   {124.0136, 0.573853, "Meta"} -> {{112535, 134655, 131448}, {"", ""}}, 
   {262.1892, 0.5915186, "Meta"} -> {{38926, 70397, 180850}, {"", ""}}, 
   {315.1291, 0.6577931, "Meta"} -> {{1, 1, 23517}, {"", ""}}, 
   {181.0738, 0.63259375, "Meta"} -> {{979420, 1, 1008083}, 
     {"Tyrosine [ C9 H11 N O3, db=99.69, overall=49.85, KEGG ID=C00082, CAS \
ID=60-18-4 ]", "60-18-4"}}, {321.1046, 0.64432, "Meta"} -> 
    {{22951, 20890, 53841}, {"", ""}}, {262.1526, 0.64625, "Meta"} -> 
    {{1, 1, 18577}, {"", ""}}, {85.0891, 0.65061104, "Meta"} -> 
    {{2366121, 2133865, 2111796}, {"", ""}}, 
   {131.0943, 0.65075004, "Meta"} -> {{1.98*^7, 1.76*^7, 1.74*^7}, 
     {"Leucine [ C6 H13 N O2, db=98.20, overall=49.10, KEGG ID=C00123, CAS \
ID=61-90-5 ]", "61-90-5"}}, {184.0232, 0.6469033, "Meta"} -> 
    {{766183, 533032, 776198}, {"", ""}}, {396.0152, 0.65655553, "Meta"} -> 
    {{43530, 52925, 51477}, {"", ""}}, {198.0385, 0.6591563, "Meta"} -> 
    {{81192, 1, 112574}, {"", ""}}, {366.1426, 0.73793095, "Meta"} -> 
    {{74673, 24753, 21403}, {"", ""}}, {564.0432, 0.6553846, "Meta"} -> 
    {{1, 20144, 20211}, {"", ""}}, {168.0284, 0.66358334, "Meta"} -> 
    {{3488922, 2940175, 2843405}, {"Uric acid [ C5 H4 N4 O3, db=99.35, \
overall=49.68, KEGG ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, 
   {352.0513, 0.6635001, "Meta"} -> {{106624, 112276, 110108}, {"", ""}}, 
   {191.0249, 0.6656572, "Meta"} -> {{218967, 209453, 278277}, {"", ""}}, 
   {176.0948, 0.66323525, "Meta"} -> {{47667, 48415, 1}, 
     {"Serotonin [ C10 H12 N2 O, db=81.86, overall=40.93, KEGG ID=C00780, CAS \
ID=50-67-9 ]", "50-67-9"}}, {343.1261, 0.6673332, "Meta"} -> 
    {{1, 20679, 20904}, {"b-D-Glucopyranosiduronic acid [ C15 H21 N O8, \
db=84.47, overall=42.23, KEGG ID=, CAS ID=33150-82-2 ]", "33150-82-2"}}, 
   {159.0679, 0.6692903, "Meta"} -> {{56152, 63178, 55686}, 
     {"Indoleacetaldehyde [ C10 H9 N O, db=58.61, overall=29.30, HMP \
ID=HMDB01190, KEGG ID= ]", ""}}, {542.0351, 0.6685769, "Meta"} -> 
    {{18484, 12136, 19268}, {"cefonicid [ C18 H18 N6 O8 S3, db=52.28, \
overall=26.14, KEGG ID=, CAS ID= ]", ""}}, {267.1331, 0.6696945, "Meta"} -> 
    {{71272, 64540, 63929}, {"", ""}}, {346.076, 0.6595, "Meta"} -> 
    {{31080, 28488, 1}, {"", ""}}, {366.0667, 0.6683939, "Meta"} -> 
    {{29936, 25717, 26231}, {"", ""}}, {348.0913, 0.6686563, "Meta"} -> 
    {{1, 56192, 52538}, {"", ""}}, {478.0537, 0.6733429, "Meta"} -> 
    {{19454, 16492, 1}, {"", ""}}, {129.0423, 0.67652774, "Meta"} -> 
    {{711728, 676519, 459032}, {"Pyroglutamic acid [ C5 H7 N O3, db=60.99, \
overall=30.50, KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {297.0706, 0.67399997, "Meta"} -> {{25292, 29462, 32529}, {"", ""}}, 
   {414.0701, 0.68071425, "Meta"} -> {{11687, 11831, 1}, {"", ""}}, 
   {104.0473, 0.7109601, "Meta"} -> {{1, 1, 33444}, 
     {"a-hydroxybutyrate [ C4 H8 O3, db=87.83, overall=43.92, KEGG ID=, CAS \
ID= ]", ""}}, {293.1474, 0.70211107, "Meta"} -> {{453249, 434560, 540019}, 
     {"", ""}}, {124.0136, 0.698871, "Meta"} -> {{167928, 118746, 125959}, 
     {"", ""}}, {244.0693, 0.69808567, "Meta"} -> {{105901, 108003, 110356}, 
     {"Uridine [ C9 H12 N2 O6, db=80.06, overall=40.03, KEGG ID=C00299, CAS \
ID=58-96-8 ]", "58-96-8"}}, {228.1472, 0.70621204, "Meta"} -> 
    {{1, 228334, 280448}, 
     {"Leu Pro [ C11 H20 N2 O3, db=86.33, overall=43.17 ]", ""}}, 
   {246.1213, 0.72223526, "Meta"} -> {{52601, 1, 43761}, 
     {"Ile Asp [ C10 H18 N2 O5, db=79.46, overall=39.73 ]", ""}}, 
   {126.0292, 0.7198077, "Meta"} -> {{1212804, 1197230, 1181421}, {"", ""}}, 
   {347.9839, 0.72131026, "Meta"} -> {{35942, 28204, 56464}, {"", ""}}, 
   {252.1109, 0.7333571, "Meta"} -> {{181692, 177186, 1}, 
     {"Tyr Ala [ C12 H16 N2 O4, db=96.68, overall=48.34 ]", ""}}, 
   {338.0838, 0.75042427, "Meta"} -> {{112253, 122690, 110082}, {"", ""}}, 
   {148.0112, 0.75524235, "Meta"} -> {{135634, 132144, 131949}, {"", ""}}, 
   {136.0384, 0.7559166, "Meta"} -> {{3325256, 3113031, 3268947}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=95.18, overall=47.59, KEGG ID=C00262, \
CAS ID=68-94-0 ]", "68-94-0"}}, {277.0016, 0.76956004, "Meta"} -> 
    {{1, 101449, 1}, {"", ""}}, {161.0507, 0.7749999, "Meta"} -> 
    {{202185, 1, 199502}, {"", ""}}, {301.1176, 0.832861, "Meta"} -> 
    {{55252, 69674, 51446}, {"", ""}}, {263.0468, 0.8569698, "Meta"} -> 
    {{49959, 34031, 41796}, {"Normetanephrine sulfate [ C9 H13 N O6 S, \
db=62.13, overall=31.07, KEGG ID=, CAS ID=1215-29-8 ]", "1215-29-8"}}, 
   {427.2543, 0.88016677, "Meta"} -> {{93713, 144212, 116316}, {"", ""}}, 
   {533.1839, 0.8766785, "Meta"} -> {{23419, 1, 22377}, {"", ""}}, 
   {208.0844, 0.8729697, "Meta"} -> {{1, 763911, 787689}, 
     {"Kynurenine [ C10 H12 N2 O3, db=98.79, overall=49.40, KEGG ID=C00328, \
CAS ID=343-65-7 ]", "343-65-7"}}, {310.1159, 0.87493944, "Meta"} -> 
    {{58896, 47309, 31725}, 
     {"Tyr Glu [ C14 H18 N2 O6, db=80.16, overall=40.08 ]", ""}}, 
   {130.0417, 0.889875, "Meta"} -> {{1, 308878, 262915}, {"", ""}}, 
   {119.0736, 0.8910293, "Meta"} -> {{6678793, 6388665, 6296211}, {"", ""}}, 
   {165.0784, 0.88927776, "Meta"} -> {{3.79*^7, 3.66*^7, 3.47*^7}, 
     {"2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, db=96.07, \
overall=48.03, KEGG ID=, CAS ID=18259-42-2 ]", "18259-42-2"}}, 
   {102.047, 0.8869601, "Meta"} -> {{24158, 38763, 62435}, {"", ""}}, 
   {268.0808, 0.88524127, "Meta"} -> {{1, 65167, 47530}, 
     {"Inosine [ C10 H12 N4 O5, db=85.71, overall=42.86, KEGG ID=C00294, CAS \
ID=58-63-9 ]", "58-63-9"}}, {518.1942, 0.9226364, "Meta"} -> 
    {{22267, 18290, 16440}, {"Gossypol [ C30 H30 O8, db=74.85, overall=37.42, \
Lipid ID=LMPR01030019, KEGG ID=C07667 ]", ""}}, 
   {359.1316, 0.92291445, "Meta"} -> {{32327, 33042, 36004}, 
     {"Asp Glu Pro [ C14 H21 N3 O8, db=49.24, overall=24.62 ]", ""}}, 
   {358.1738, 0.921639, "Meta"} -> {{40978, 44741, 48235}, {"", ""}}, 
   {315.1679, 0.92541665, "Meta"} -> {{3145088, 2885831, 3082246}, {"", ""}}, 
   {246.1213, 0.9403793, "Meta"} -> {{1, 33113, 39356}, 
     {"Ile Asp [ C10 H18 N2 O5, db=75.39, overall=37.69 ]", ""}}, 
   {348.1567, 0.99688005, "Meta"} -> {{143666, 1, 1}, 
     {"Ala Arg Cys [ C12 H24 N6 O4 S, db=90.69, overall=45.35 ]", ""}}, 
   {150.0887, 1.0149167, "Meta"} -> {{7778728, 7456135, 7889623}, {"", ""}}, 
   {380.1186, 1.0151613, "Meta"} -> {{169696, 166868, 159254}, 
     {"Cys Gln Met [ C13 H24 N4 O5 S2, db=70.63, overall=35.32 ]", ""}}, 
   {88.0527, 1.0138214, "Meta"} -> {{1, 844642, 876157}, 
     {"Acetoin [ C4 H8 O2, db=98.92, overall=49.46, KEGG ID=C00810, CAS \
ID=513-86-0 ]", "513-86-0"}}, {132.0785, 1.0133704, "Meta"} -> 
    {{1, 246875, 324458}, {"2-Hydroxy-4-methylvaleric acid [ C6 H12 O3, \
db=96.66, overall=48.33, KEGG ID=, CAS ID=13748-90-8 ]", "13748-90-8"}}, 
   {248.0572, 1.018941, "Meta"} -> {{970166, 915238, 931614}, 
     {"Pyridoxamine Phosphate [ C8 H13 N2 O5 P, db=92.97, overall=46.48, KEGG \
ID=C00647, CAS ID=529-96-4 ]", "529-96-4"}}, {264.0292, 1.0199355, "Meta"} -> 
    {{1, 248280, 1}, {"(3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate [ \
C9 H12 O7 S, db=58.12, overall=29.06, KEGG ID=, CAS ID=3415-67-6 ]", 
      "3415-67-6"}}, {239.9853, 1.04124, "Meta"} -> 
    {{70885, 1, 1}, {"", ""}}, {210.1212, 1.0249231, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {338.1254, 1.0379394, "Meta"} -> 
    {{465221, 442133, 529586}, {"", ""}}, {353.0898, 1.0451715, "Meta"} -> 
    {{259762, 151692, 164404}, {"Acenocoumarol [ C19 H15 N O6, db=85.70, \
overall=42.85, KEGG ID=, CAS ID=152-72-7 ]", "152-72-7"}}, 
   {327.1318, 1.0948066, "Meta"} -> {{173151, 1, 129683}, {"", ""}}, 
   {231.1472, 1.1548711, "Meta"} -> {{48751, 55362, 1}, 
     {"Isobutyryl carnitine [ C11 H21 N O4, db=82.39, overall=41.19, KEGG \
ID=, CAS ID=25518-49-4 ]", "25518-49-4"}}, {354.1791, 1.2549354, "Meta"} -> 
    {{1, 281455, 285884}, {"", ""}}, {291.0178, 1.2728126, "Meta"} -> 
    {{45655, 43001, 34617}, {"", ""}}, {276.0544, 1.2674193, "Meta"} -> 
    {{44960, 1, 34169}, {"", ""}}, {216.0308, 1.2762144, "Meta"} -> 
    {{83421, 55658, 45716}, {"", ""}}, {117.0578, 1.2811853, "Meta"} -> 
    {{99313, 162921, 1}, {"Indole [ C8 H7 N, db=70.72, overall=35.36, KEGG \
ID=C00463, CAS ID=120-72-9 ]", "120-72-9"}}, {204.0894, 1.2753054, "Meta"} -> 
    {{4.14*^7, 3.87*^7, 3.71*^7}, {"Tryptophan [ C11 H12 N2 O2, db=95.92, \
overall=47.96, KEGG ID=C00078, CAS ID=73-22-3 ]", "73-22-3"}}, 
   {187.0628, 1.2740554, "Meta"} -> {{1.03*^7, 9697519, 9313372}, 
     {"Indoleacrylic acid [ C11 H9 N O2, db=97.72, overall=48.86, HMP \
ID=HMDB00734, KEGG ID=, CAS ID=1204-06-4 ]", "1204-06-4"}}, 
   {650.2158, 1.2843436, "Meta"} -> {{1, 21148, 1}, {"", ""}}, 
   {302.0588, 1.2867241, "Meta"} -> {{102102, 94901, 90352}, {"", ""}}, 
   {276.0543, 1.4092578, "Meta"} -> {{1, 1, 38023}, {"", ""}}, 
   {291.0175, 1.4124061, "Meta"} -> {{50303, 33602, 35258}, {"", ""}}, 
   {230.1631, 1.4211999, "Meta"} -> {{1, 1, 1}, 
     {"Leu Val [ C11 H22 N2 O3, db=83.67, overall=41.83 ]", ""}}, 
   {280.1058, 1.5567034, "Meta"} -> {{127813, 124575, 134307}, 
     {"Phe Asp [ C13 H16 N2 O5, db=70.05, overall=35.02 ]", ""}}, 
   {366.1426, 1.5676208, "Meta"} -> {{1, 1, 146346}, {"", ""}}, 
   {157.11, 1.5776898, "Meta"} -> {{63425, 55703, 1}, 
     {"Tranexamic acid [ C8 H15 N O2, db=74.57, overall=37.29, KEGG \
ID=C12535, CAS ID=1197-18-8 ]", "1197-18-8"}}, 
   {219.1104, 1.6220001, "Meta"} -> {{55521, 38684, 1}, 
     {"Pantothenic Acid [ C9 H17 N O5, db=55.18, overall=27.59, KEGG ID=, CAS \
ID=137-08-6 ]", "137-08-6"}}, {260.1369, 1.7801199, "Meta"} -> 
    {{143601, 103340, 133065}, 
     {"Glu Leu [ C11 H20 N2 O5, db=77.86, overall=38.93 ]", ""}}, 
   {208.0161, 1.9748787, "Meta"} -> {{146548, 217219, 229509}, {"", ""}}, 
   {260.1368, 1.9889677, "Meta"} -> {{112632, 116243, 99538}, 
     {"Glu Leu [ C11 H20 N2 O5, db=90.71, overall=45.35 ]", ""}}, 
   {131.0368, 2.0663033, "Meta"} -> {{288602, 404847, 387592}, {"", ""}}, 
   {613.3187, 2.414278, "Meta"} -> {{366390, 336323, 345103}, {"", ""}}, 
   {294.1216, 2.470125, "Meta"} -> {{1, 1, 32460}, {"Aspartame [ C14 H18 N2 \
O5, db=72.39, overall=36.19, HMP ID=HMDB01894, KEGG ID= ]", ""}}, 
   {245.1627, 2.565185, "Meta"} -> {{1, 205686, 140800}, 
     {"2-Methylbutyroylcarnitine [ C12 H23 N O4, db=86.34, overall=43.17, HMP \
ID=HMDB00378, KEGG ID= ]", ""}}, {246.1366, 2.6443236, "Meta"} -> 
    {{365599, 313706, 312144}, {"", ""}}, {159.1255, 2.8531144, "Meta"} -> 
    {{210611, 187783, 183760}, {"DL-2-Aminooctanoic acid [ C8 H17 N O2, \
db=83.22, overall=41.61, HMP ID=HMDB00991, KEGG ID= ]", ""}}, 
   {294.2798, 2.8666072, "Meta"} -> {{113778, 243623, 1}, {"", ""}}, 
   {129.1512, 2.8755276, "Meta"} -> {{8235116, 9945925, 1.18*^7}, {"", ""}}, 
   {179.0578, 2.9460568, "Meta"} -> {{5989861, 5259002, 3778660}, 
     {"5,8-Dihydroxy-3,4-dihydrocarbostyril [ C9 H9 N O3, db=94.87, \
overall=47.43, KEGG ID=, CAS ID=59430-56-7 ]", "59430-56-7"}}, 
   {457.2172, 3.21976, "Meta"} -> {{89185, 82405, 89256}, 
     {"Leu Tyr Tyr [ C24 H31 N3 O6, db=60.12, overall=30.06 ]", ""}}, 
   {113.0839, 3.4427686, "Meta"} -> {{72972, 79679, 1}, {"", ""}}, 
   {457.2171, 3.449129, "Meta"} -> {{113357, 102132, 115956}, 
     {"Leu Tyr Tyr [ C24 H31 N3 O6, db=66.31, overall=33.16 ]", ""}}, 
   {353.0194, 3.4831946, "Meta"} -> {{37296, 15476, 20187}, 
     {"H 152/66 [ C16 H13 Cl2 N O4, db=34.19, overall=17.09, KEGG ID=, CAS \
ID=91854-02-3 ]", "91854-02-3"}}, {180.0646, 3.4828331, "Meta"} -> 
    {{536068, 503485, 481213}, {"Paraxanthine [ C7 H8 N4 O2, db=97.04, \
overall=48.52, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {338.0584, 3.4828844, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {184.1207, 3.5528529, "Meta"} -> {{1, 268119, 276964}, {"", ""}}, 
   {286.0929, 3.6669033, "Meta"} -> {{1, 1, 1}, {"5-(3,4-Dihydroxy-1,5-cycloh\
exadien-1-yl)-5-phenylhydantoin [ C15 H14 N2 O4, db=80.32, overall=40.16, \
KEGG ID=, CAS ID=28129-90-0 ]", "28129-90-0"}}, 
   {262.1315, 3.6955454, "Meta"} -> {{100284, 102853, 90580}, 
     {"Pro Phe [ C14 H18 N2 O3, db=79.05, overall=39.52 ]", ""}}, 
   {484.3516, 3.714577, "Meta"} -> {{101382, 97902, 109726}, 
     {"(22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimethyl-23,24-tetradehydro-\
20-epivitamin D3 / (22S)-1alph [ C31 H48 O4, db=68.14, overall=34.07, Lipid \
ID=LMST03020487, KEGG ID= ]", ""}}, {264.1109, 3.7114289, "Meta"} -> 
    {{787201, 767748, 538379}, {"", ""}}, {300.9474, 3.7771254, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {285.9843, 3.784971, "Meta"} -> 
    {{47547, 33715, 33385}, {"", ""}}, {406.0258, 3.779679, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {346.0054, 3.7820883, "Meta"} -> 
    {{87554, 1, 78788}, {"", ""}}, {390.0608, 3.9207745, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {194.1056, 3.9298828, "Meta"} -> 
    {{95029, 97861, 80583}, {"3-Hydroxy-N-glycyl-2,6-xylidine \
(3-Hydroxyglycinexylidide) [ C10 H14 N2 O2, db=79.20, overall=39.60, KEGG \
ID=, CAS ID=112606-87-8 ]", "112606-87-8"}}, {123.0431, 3.9404666, "Meta"} -> 
    {{1, 1, 1}, {"Pyrazinamide [ C5 H5 N3 O, db=73.22, overall=36.61, KEGG \
ID=C01956, CAS ID=98-96-4 ]", "98-96-4"}}, {180.0647, 3.9408891, "Meta"} -> 
    {{2174062, 1895331, 1947423}, {"Paraxanthine [ C7 H8 N4 O2, db=98.66, \
overall=49.33, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {353.02, 3.9439723, "Meta"} -> {{47251, 33660, 28396}, 
     {"H 152/66 [ C16 H13 Cl2 N O4, db=40.19, overall=20.09, KEGG ID=, CAS \
ID=91854-02-3 ]", "91854-02-3"}}, {338.06, 3.9440384, "Meta"} -> 
    {{1, 23168, 1}, {"1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide \
(AICAR) [ C9 H15 N4 O8 P, db=56.82, overall=28.41, KEGG ID=C04677, CAS \
ID=3031-94-5 ]", "3031-94-5"}}, {282.0003, 4.0873055, "Meta"} -> 
    {{229560, 204705, 196052}, {"", ""}}, {244.1785, 4.1058927, "Meta"} -> 
    {{73308, 63641, 66606}, 
     {"Leu Leu [ C12 H24 N2 O3, db=80.30, overall=40.15 ]", ""}}, 
   {315.2042, 4.138722, "Meta"} -> {{367322, 398272, 413624}, {"", ""}}, 
   {180.0646, 4.184583, "Meta"} -> {{621037, 534016, 509633}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=96.10, overall=48.05, KEGG ID=, CAS \
ID=611-59-6 ]", "611-59-6"}}, {196.1205, 4.4604373, "Meta"} -> 
    {{25153, 30502, 27797}, {"", ""}}, {259.1781, 4.5265555, "Meta"} -> 
    {{1, 1, 1}, {"L-Glutamic acid dibutyl ester [ C13 H25 N O4, db=69.80, \
overall=34.90, KEGG ID=, CAS ID=4261-76-1 ]", "4261-76-1"}}, 
   {278.1625, 4.5463552, "Meta"} -> {{35687, 1, 1}, 
     {"Phe Leu [ C15 H22 N2 O3, db=77.05, overall=38.53 ]", ""}}, 
   {196.1206, 4.620389, "Meta"} -> {{88435, 88018, 49998}, {"", ""}}, 
   {145.0523, 4.6313715, "Meta"} -> {{98318, 102239, 129901}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=73.77, overall=36.88, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {221.0685, 4.632059, "Meta"} -> 
    {{33072, 25824, 36538}, {"5-Carboxymethoxy-3,4-dihydrocarbostyril [ C11 \
H11 N O4, db=64.45, overall=32.22, KEGG ID=, CAS ID=58898-50-3 ]", 
      "58898-50-3"}}, {399.1795, 4.9157567, "Meta"} -> 
    {{75984, 69527, 67728}, 
     {"Tyr Ala Phe [ C21 H25 N3 O5, db=71.49, overall=35.75 ]", ""}}, 
   {185.1049, 4.9669666, "Meta"} -> {{307615, 297604, 288831}, 
     {"Ecgonine [ C9 H15 N O3, db=77.31, overall=38.66, KEGG ID=, CAS \
ID=481-37-8 ]", "481-37-8"}}, {649.3074, 5.013072, "Meta"} -> 
    {{46612, 38853, 45139}, {"", ""}}, {278.163, 5.0759177, "Meta"} -> 
    {{380168, 357844, 329441}, 
     {"Phe Leu [ C15 H22 N2 O3, db=99.27, overall=49.64 ]", ""}}, 
   {535.2641, 5.1008615, "Meta"} -> {{115809, 115268, 111975}, {"", ""}}, 
   {904.4772, 5.3270283, "Meta"} -> {{1737749, 1658402, 1639956}, {"", ""}}, 
   {145.0523, 5.4314723, "Meta"} -> {{58847, 82192, 77650}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=84.42, overall=42.21, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {129.0576, 5.434444, "Meta"} -> 
    {{181726, 177911, 207429}, {"", ""}}, {273.0317, 5.4347143, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {175.0629, 5.4345837, "Meta"} -> 
    {{257855, 169996, 160008}, {"3-Indoleacetic Acid [ C10 H9 N O2, db=84.76, \
overall=42.38, KEGG ID=C00954, CAS ID=87-51-4 ]", "87-51-4"}}, 
   {163.063, 5.4345, "Meta"} -> {{1, 1, 1}, {"p-Acetaminobenzaldehyde [ C9 H9 \
N O2, db=64.35, overall=32.17, KEGG ID=, CAS ID=122-85-0 ]", "122-85-0"}}, 
   {317.1736, 5.4687505, "Meta"} -> {{1, 1, 32204}, 
     {"Leu Trp [ C17 H23 N3 O3, db=81.63, overall=40.81 ]", ""}}, 
   {780.393, 5.47776, "Meta"} -> {{1, 11015, 1}, {"25-O-Desacetylrifampin [ \
C41 H56 N4 O11, db=84.35, overall=42.18, KEGG ID=, CAS ID=16783-99-6 ]", 
      "16783-99-6"}}, {506.2009, 5.4841557, "Meta"} -> 
    {{102977, 104140, 90269}, {"", ""}}, {351.1581, 5.5261106, "Meta"} -> 
    {{252204, 232033, 217379}, 
     {"Trp Phe [ C20 H21 N3 O3, db=99.58, overall=49.79 ]", ""}}, 
   {462.2364, 5.543243, "Meta"} -> {{72008, 60336, 50941}, {"", ""}}, 
   {119.0735, 5.541345, "Meta"} -> {{359391, 353399, 351453}, {"", ""}}, 
   {312.1467, 5.5432773, "Meta"} -> {{1.63*^7, 1.57*^7, 1.5*^7}, 
     {"Phe Phe [ C18 H20 N2 O3, db=95.14, overall=47.57 ]", ""}}, 
   {112.0524, 5.5669603, "Meta"} -> {{1, 1, 1}, {"3,5-hexadienoic acid [ C6 \
H8 O2, db=60.24, overall=30.12, Lipid ID=, KEGG ID= ]", ""}}, 
   {415.2207, 5.670666, "Meta"} -> {{20595, 17422, 15466}, 
     {"Phe Leu His [ C21 H29 N5 O4, db=66.52, overall=33.26 ]", ""}}, 
   {145.0523, 5.7114286, "Meta"} -> {{26250, 23158, 15916}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=58.30, overall=29.15, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {470.2164, 5.740111, "Meta"} -> 
    {{254711, 249884, 251170}, {"", ""}}, {486.1287, 5.7655144, "Meta"} -> 
    {{48047, 43326, 38130}, {"", ""}}, {814.2692, 5.7653933, "Meta"} -> 
    {{40485, 33161, 28454}, {"", ""}}, {352.0723, 5.766555, "Meta"} -> 
    {{188175, 172816, 164048}, {"Griseofulvin [ C17 H17 Cl O6, db=62.45, \
overall=31.22, KEGG ID=C06686, CAS ID=126-07-8 ]", "126-07-8"}}, 
   {561.114, 5.765363, "Meta"} -> {{39095, 30234, 23328}, {"", ""}}, 
   {367.0347, 5.766611, "Meta"} -> {{224183, 176909, 143390}, 
     {"H 167/87 [ C17 H15 Cl2 N O4, db=30.19, overall=15.10, KEGG ID=, CAS \
ID=91854-01-2 ]", "91854-01-2"}}, {137.0587, 5.7666464, "Meta"} -> 
    {{166528, 175002, 150521}, {"Isoniazid [ C6 H7 N3 O, db=85.82, \
overall=42.91, KEGG ID=C07054, CAS ID=54-85-3 ]", "54-85-3"}}, 
   {680.2204, 5.7653627, "Meta"} -> {{34041, 41309, 35514}, {"", ""}}, 
   {194.0796, 5.7665, "Meta"} -> {{1.54*^7, 1.36*^7, 1.27*^7}, 
     {"D-Glucoside [ C7 H14 O6, db=97.63, overall=48.82, HMP ID=HMDB03570, \
KEGG ID= ]", ""}}, {292.0482, 5.7668047, "Meta"} -> 
    {{90315, 74565, 76421}, {"", ""}}, {427.0664, 5.7660594, "Meta"} -> 
    {{35301, 28778, 24639}, {"", ""}}, {308.021, 5.7663703, "Meta"} -> 
    {{39841, 35195, 1}, {"", ""}}, {336.0987, 5.766, "Meta"} -> 
    {{28302, 23501, 30716}, {"", ""}}, {339.0394, 5.7657404, "Meta"} -> 
    {{28839, 21660, 1}, {"", ""}}, {276.0943, 5.767443, "Meta"} -> 
    {{186570, 188866, 175959}, 
     {"Glu Glu [ C10 H16 N2 O7, db=91.86, overall=45.93 ]", ""}}, 
   {546.167, 5.766311, "Meta"} -> {{15428, 23992, 21493}, {"", ""}}, 
   {82.0146, 5.7676473, "Meta"} -> {{1, 352854, 309494}, {"", ""}}, 
   {450.2112, 6.0146294, "Meta"} -> {{79347, 77498, 77667}, {"", ""}}, 
   {598.3831, 6.149971, "Meta"} -> {{87634, 1, 32829}, {"", ""}}, 
   {210.1363, 6.1674, "Meta"} -> {{165187, 116078, 140010}, {"", ""}}, 
   {1076.5251, 6.1918607, "Meta"} -> {{888213, 872897, 818824}, {"", ""}}, 
   {285.1937, 6.2077217, "Meta"} -> {{132119, 88342, 60373}, {"", ""}}, 
   {413.1947, 6.402389, "Meta"} -> {{123241, 68082, 67656}, 
     {"Phe Phe Thr [ C22 H27 N3 O5, db=96.85, overall=48.42 ]", ""}}, 
   {210.1363, 6.4091425, "Meta"} -> {{147594, 124852, 129595}, {"", ""}}, 
   {171.1256, 6.4184237, "Meta"} -> {{383421, 1, 361223}, 
     {"Gabapentin [ C9 H17 N O2, db=89.41, overall=44.71, KEGG ID=C07018, CAS \
ID=60142-96-3 ]", "60142-96-3"}}, {225.134, 6.4274607, "Meta"} -> 
    {{1, 98348, 197502}, {"", ""}}, {464.2267, 6.4558063, "Meta"} -> 
    {{89109, 87410, 82261}, {"", ""}}, {636.2752, 6.4700866, "Meta"} -> 
    {{67734, 70588, 59171}, 
     {" [ C34 H40 N2 O10, db=0.00, overall=30.97, mfg=61.94 ]", ""}}, 
   {401.8564, 6.4737997, "Meta"} -> {{148289, 141835, 134701}, {"", ""}}, 
   {1205.5684, 6.4744167, "Meta"} -> {{1882944, 1866772, 1717852}, {"", ""}}, 
   {650.291, 6.4855704, "Meta"} -> {{96602, 98800, 95221}, {"", ""}}, 
   {1072.4163, 6.52011, "Meta"} -> {{117311, 104309, 78240}, {"", ""}}, 
   {1019.5046, 6.519862, "Meta"} -> {{4555745, 4382037, 4239537}, {"", ""}}, 
   {339.8352, 6.519917, "Meta"} -> {{121585, 114145, 105540}, {"", ""}}, 
   {370.2202, 6.5523853, "Meta"} -> {{38323, 46028, 44466}, {"", ""}}, 
   {393.1896, 6.6016774, "Meta"} -> {{116649, 110008, 96286}, 
     {"Phe Leu Asp [ C19 H27 N3 O6, db=93.55, overall=46.78 ]", ""}}, 
   {1262.5898, 6.6459446, "Meta"} -> {{855365, 926260, 840108}, {"", ""}}, 
   {748.3746, 6.6664577, "Meta"} -> {{352684, 345047, 346601}, {"", ""}}, 
   {467.5117, 6.6833715, "Meta"} -> {{54175, 43348, 39190}, {"", ""}}, 
   {449.8743, 6.681861, "Meta"} -> {{186429, 151359, 176066}, {"", ""}}, 
   {1349.622, 6.682221, "Meta"} -> {{1317371, 1523286, 1389077}, {"", ""}}, 
   {462.5233, 6.6829696, "Meta"} -> {{86126, 89233, 81653}, {"", ""}}, 
   {467.8464, 6.68125, "Meta"} -> {{41645, 35216, 23933}, {"", ""}}, 
   {457.2013, 6.682588, "Meta"} -> {{38257, 35272, 32378}, {"", ""}}, 
   {1076.5258, 6.7304854, "Meta"} -> {{59502, 57555, 54640}, {"", ""}}, 
   {298.1418, 6.74896, "Meta"} -> {{61135, 1, 1}, {"Idebenone Metabolite \
(Benzenehexanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, \
db=73.54, overall=36.77, KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {1200.5566, 6.7732415, "Meta"} -> {{29476, 28950, 24770}, {"", ""}}, 
   {741.297, 6.7771387, "Meta"} -> {{161952, 161094, 129433}, {"", ""}}, 
   {189.0785, 6.956638, "Meta"} -> {{486207, 453032, 411816}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=94.09, overall=47.05, HMP \
ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {429.2361, 6.977999, "Meta"} -> {{71947, 51017, 28185}, 
     {"Pro Trp Lys [ C22 H31 N5 O4, db=90.19, overall=45.09 ]", ""}}, 
   {260.0935, 7.0326056, "Meta"} -> {{1372250, 67439, 133022}, 
     {"Furafylline [ C12 H12 N4 O3, db=57.24, overall=28.62, KEGG ID=, CAS \
ID=80288-49-9 ]", "80288-49-9"}}, {179.1517, 7.0339313, "Meta"} -> 
    {{710509, 53568, 101897}, {"", ""}}, {162.1254, 7.032972, "Meta"} -> 
    {{2.74*^7, 1463194, 2842974}, {"", ""}}, {386.884, 7.089772, "Meta"} -> 
    {{112350, 112914, 243894}, {"", ""}}, {339.9438, 7.090166, "Meta"} -> 
    {{125108, 133293, 188439}, {"", ""}}, {165.9783, 7.0914993, "Meta"} -> 
    {{100655, 132173, 212294}, {"", ""}}, {324.978, 7.0900297, "Meta"} -> 
    {{38656, 49616, 133597}, {"", ""}}, {389.8912, 7.089734, "Meta"} -> 
    {{41243, 44885, 85110}, {"", ""}}, {554.8763, 7.0902586, "Meta"} -> 
    {{399329, 441726, 1048583}, {"", ""}}, {590.8546, 7.090121, "Meta"} -> 
    {{157456, 160057, 323374}, {"", ""}}, {166.9861, 7.0904727, "Meta"} -> 
    {{4571677, 5272621, 1.34*^7}, {"", ""}}, {280.9265, 7.090501, "Meta"} -> 
    {{141517, 136994, 189764}, {"", ""}}, {264.9547, 7.0911846, "Meta"} -> 
    {{1, 27166, 87154}, {"", ""}}, {395.8936, 7.0915, "Meta"} -> 
    {{64496, 76753, 105128}, {"", ""}}, {431.8628, 7.0915837, "Meta"} -> 
    {{33915, 1, 88686}, {"", ""}}, {624.9684, 7.1091247, "Meta"} -> 
    {{18931, 16630, 34242}, {"", ""}}, {534.1705, 7.1183324, "Meta"} -> 
    {{1, 1, 15341}, {"", ""}}, {354.0646, 7.1213336, "Meta"} -> 
    {{49863, 47628, 42287}, {"", ""}}, {238.0838, 7.121195, "Meta"} -> 
    {{465549, 498098, 477268}, {"Propanoic acid, \
2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- [ C12 H14 O5, db=99.24, \
overall=49.62, KEGG ID=, CAS ID=53564-64-0 ]", "53564-64-0"}}, 
   {278.0763, 7.119251, "Meta"} -> {{223331, 287239, 320259}, {"", ""}}, 
   {351.0169, 7.127134, "Meta"} -> {{32625, 25200, 1}, {"", ""}}, 
   {1560.7216, 7.157438, "Meta"} -> {{27139, 23804, 26495}, {"", ""}}, 
   {941.4612, 7.1827216, "Meta"} -> {{102090, 86938, 81057}, {"", ""}}, 
   {299.2095, 7.264514, "Meta"} -> {{47026, 42632, 46148}, {"", ""}}, 
   {270.1572, 7.337296, "Meta"} -> {{21562, 27562, 37190}, {"", ""}}, 
   {280.1885, 7.331959, "Meta"} -> {{133846, 132375, 68431}, {"", ""}}, 
   {361.1425, 7.353097, "Meta"} -> {{23953, 16015, 14337}, 
     {"N-Acetylnorfloxacin [ C18 H20 F N3 O4, db=74.33, overall=37.17, KEGG \
ID=, CAS ID=74011-56-6 ]", "74011-56-6"}}, {309.194, 7.3625283, "Meta"} -> 
    {{83052, 68295, 55299}, {"Nadolol [ C17 H27 N O4, db=98.01, \
overall=49.00, KEGG ID=C07249, CAS ID=42200-33-9 ]", "42200-33-9"}}, 
   {920.4221, 7.436666, "Meta"} -> {{216194, 217286, 204299}, {"", ""}}, 
   {287.2094, 7.4803905, "Meta"} -> {{44716, 34245, 23806}, 
     {"O-octanoyl-R-carnitine [ C15 H29 N O4, db=84.96, overall=42.48, Lipid \
ID=, KEGG ID=C02838 ]", ""}}, {206.1518, 7.485084, "Meta"} -> 
    {{100106, 1, 1}, {"", ""}}, {174.0887, 7.533999, "Meta"} -> 
    {{5568103, 457688, 243424}, {"2-Propylglutaric acid [ C8 H14 O4, \
db=96.02, overall=48.01, KEGG ID=, CAS ID=32806-62-5 ]", "32806-62-5"}}, 
   {142.0625, 7.5357056, "Meta"} -> {{1503064, 114101, 172587}, 
     {"7-hydroxy-5-heptynoic acid [ C7 H10 O3, db=91.50, overall=45.75, Lipid \
ID=, KEGG ID= ]", ""}}, {833.3582, 7.620576, "Meta"} -> 
    {{53317, 38210, 44179}, {"", ""}}, {182.0914, 7.628904, "Meta"} -> 
    {{73904, 58182, 60529}, {"Dacarbazine [ C6 H10 N6 O, db=63.87, \
overall=31.94, KEGG ID=C06936, CAS ID=4342-03-4 ]", "3/4/42"}}, 
   {1389.6527, 7.619026, "Meta"} -> {{217300, 255050, 232774}, {"", ""}}, 
   {170.1415, 7.7676864, "Meta"} -> {{95688, 88118, 110685}, {"", ""}}, 
   {1193.519, 7.7542224, "Meta"} -> {{175642, 255873, 263518}, {"", ""}}, 
   {318.1216, 7.8365397, "Meta"} -> {{1, 1, 1}, {"Fluvoxamine acid [ C14 H17 \
F3 N2 O3, db=57.11, overall=28.55, KEGG ID=, CAS ID=84692-89-7 ]", 
      "84692-89-7"}}, {432.8377, 7.851473, "Meta"} -> 
    {{76841, 59168, 52388}, {"", ""}}, {433.1729, 7.8523235, "Meta"} -> 
    {{57130, 47874, 39507}, {"", ""}}, {1245.5992, 7.851389, "Meta"} -> 
    {{3579399, 3740987, 3574378}, {"", ""}}, {415.2002, 7.8513994, "Meta"} -> 
    {{294493, 304359, 282715}, {"", ""}}, {428.1836, 7.8517575, "Meta"} -> 
    {{73440, 70997, 89058}, 
     {"Ser Trp His [ C20 H24 N6 O5, db=49.60, overall=24.80 ]", ""}}, 
   {1298.5118, 7.8517423, "Meta"} -> {{1, 140088, 128104}, {"", ""}}, 
   {863.401, 7.871555, "Meta"} -> {{788454, 794862, 666666}, {"", ""}}, 
   {916.3146, 7.8727407, "Meta"} -> {{78003, 64643, 56165}, {"", ""}}, 
   {189.0785, 7.8873053, "Meta"} -> {{30202, 22831, 31336}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=68.09, overall=34.05, HMP \
ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {185.1414, 7.8914566, "Meta"} -> {{180015, 193780, 130205}, 
     {"N-methyl-Gabapentin [ C10 H19 N O2, db=74.42, overall=37.21, KEGG ID=, \
CAS ID=102937-74-6 ]", "102937-74-6"}}, {208.0732, 8.064808, "Meta"} -> 
    {{33597, 37284, 33704}, {"2,5-Dimethoxycinnamic acid [ C11 H12 O4, \
db=79.88, overall=39.94, HMP ID=HMDB02370, KEGG ID= ]", ""}}, 
   {318.1217, 8.112399, "Meta"} -> {{1, 1, 20801}, {"Fluvoxamine acid [ C14 \
H17 F3 N2 O3, db=51.04, overall=25.52, KEGG ID=, CAS ID=84692-89-7 ]", 
      "84692-89-7"}}, {186.1189, 8.142306, "Meta"} -> 
    {{683480, 239756, 339673}, {"", ""}}, {415.3079, 8.180323, "Meta"} -> 
    {{28084, 1, 27803}, {"", ""}}, {301.2252, 8.18464, "Meta"} -> 
    {{55894, 55017, 57635}, {"", ""}}, {210.0888, 8.229969, "Meta"} -> 
    {{1, 53579, 1}, {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 O4, \
db=76.31, overall=38.15, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {619.2852, 8.249543, "Meta"} -> {{108637, 144278, 138996}, 
     {" [ C34 H41 N3 O8, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {301.2252, 8.364499, "Meta"} -> {{1, 1, 29160}, {"", ""}}, 
   {224.1042, 8.49708, "Meta"} -> {{39553, 37717, 37835}, {"", ""}}, 
   {222.0865, 8.595155, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {538.2428, 8.63658, "Meta"} -> {{27105, 28151, 27238}, {"", ""}}, 
   {289.1346, 8.648037, "Meta"} -> {{32293, 1, 33367}, {"", ""}}, 
   {332.1369, 8.648942, "Meta"} -> {{213907, 224538, 243123}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=83.61, \
overall=41.80, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {247.1604, 8.659072, "Meta"} -> {{57670, 1, 51323}, {"", ""}}, 
   {1395.5562, 8.677833, "Meta"} -> {{4490026, 5226615, 4393681}, {"", ""}}, 
   {1237.4865, 8.679944, "Meta"} -> {{2010642, 2177115, 2121122}, {"", ""}}, 
   {1290.4019, 8.679688, "Meta"} -> {{1, 247953, 128449}, {"", ""}}, 
   {1059.5352, 8.717444, "Meta"} -> {{372543, 341977, 296200}, {"", ""}}, 
   {201.1364, 8.713065, "Meta"} -> {{29914, 35266, 1}, 
     {"Capryloylglycine [ C10 H19 N O3, db=67.21, overall=33.61, HMP \
ID=HMDB00832, KEGG ID= ]", ""}}, {302.1881, 8.721181, "Meta"} -> 
    {{22693, 24032, 18335}, {"2-Methoxyestradiol [ C19 H26 O3, db=78.62, \
overall=39.31, HMP ID=HMDB00405, KEGG ID= ]", ""}}, 
   {496.2306, 8.726456, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {594.2002, 8.727458, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {332.1369, 8.780612, "Meta"} -> {{698156, 737736, 806731}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=85.03, \
overall=42.52, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {430.1107, 8.796733, "Meta"} -> {{41308, 18079, 41385}, {"", ""}}, 
   {300.1108, 8.80197, "Meta"} -> {{158274, 156575, 179287}, {"", ""}}, 
   {313.2252, 8.7906, "Meta"} -> {{98746, 1, 61374}, {"", ""}}, 
   {286.2617, 8.82916, "Meta"} -> {{45926, 1, 1}, {"", ""}}, 
   {346.1526, 8.849605, "Meta"} -> {{33666, 31058, 41522}, {"", ""}}, 
   {215.1519, 8.867749, "Meta"} -> {{112720, 102141, 59790}, {"", ""}}, 
   {224.1021, 8.969444, "Meta"} -> {{35930, 28136, 19628}, {"", ""}}, 
   {223.1208, 8.969972, "Meta"} -> {{24960, 27215, 19664}, 
     {"Rimiterol [ C12 H17 N O3, db=47.61, overall=23.81, KEGG ID=, CAS \
ID=32953-89-2 ]", "32953-89-2"}}, {196.1092, 8.977416, "Meta"} -> 
    {{19776, 1, 17771}, {"Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- [ C11 \
H16 O3, db=59.23, overall=29.61, KEGG ID=, CAS ID=64111-04-2 ]", 
      "64111-04-2"}}, {253.165, 9.127285, "Meta"} -> 
    {{220267, 197795, 178971}, {"", ""}}, {199.157, 9.126751, "Meta"} -> 
    {{564931, 546468, 545914}, {"", ""}}, {1089.4962, 9.145666, "Meta"} -> 
    {{557765, 622080, 593929}, {"", ""}}, {346.1526, 9.17123, "Meta"} -> 
    {{25785, 27809, 29413}, {"", ""}}, {181.1102, 9.210125, "Meta"} -> 
    {{72021, 1, 61118}, {"2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- \
Metabolite [ C10 H15 N O2, db=76.98, overall=38.49, KEGG ID=, CAS ID= ]", 
      ""}}, {382.2563, 9.247962, "Meta"} -> {{278668, 1, 1}, 
     {"C17 Sphingosine-1-phosphate [ C17 H39 N2 O5 P, db=59.88, \
overall=29.94, Lipid ID=LMSP01040004, KEGG ID= ]", ""}}, 
   {592.3259, 9.304143, "Meta"} -> {{148162, 121794, 130700}, {"", ""}}, 
   {298.1321, 9.309667, "Meta"} -> {{32637, 32035, 29039}, {"", ""}}, 
   {411.1791, 9.316696, "Meta"} -> {{24270, 23650, 29200}, 
     {"Tyr Val Met [ C19 H29 N3 O5 S, db=58.11, overall=29.06 ]", ""}}, 
   {332.1369, 9.345439, "Meta"} -> {{21714, 30826, 30054}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=61.66, \
overall=30.83, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {189.1184, 9.360473, "Meta"} -> {{38156, 55769, 86257}, {"", ""}}, 
   {211.1571, 9.3698, "Meta"} -> {{59148, 61203, 1}, {"", ""}}, 
   {196.1076, 9.373194, "Meta"} -> {{33249, 32911, 30715}, {"", ""}}, 
   {343.2259, 9.375806, "Meta"} -> {{1, 1, 16068}, {"dibucaine [ C20 H29 N3 \
O2, db=78.46, overall=39.23, KEGG ID=, CAS ID=85-79-0 ]", "85-79-0"}}, 
   {594.3415, 9.429972, "Meta"} -> {{55007, 63964, 1}, 
     {"L-Urobilin [ C33 H46 N4 O6, db=97.19, overall=48.59, HMP ID=HMDB04159, \
KEGG ID= ]", ""}}, {202.1203, 9.477693, "Meta"} -> 
    {{1, 103112, 74133}, {"sebacic acid [ C10 H18 O4, db=70.07, \
overall=35.04, KEGG ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, 
   {254.1153, 9.500695, "Meta"} -> {{71110, 81609, 64523}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=77.56, overall=38.78, Lipid ID=, KEGG ID= ]", ""}}, 
   {640.2432, 9.499125, "Meta"} -> {{19270, 18691, 16973}, 
     {"5-Methyltetrahydropteroyltri-L-glutamate [ C25 H36 N8 O12, db=61.28, \
overall=30.64, KEGG ID=C04489, CAS ID= ]", ""}}, 
   {564.2544, 9.498889, "Meta"} -> {{61269, 49514, 48344}, {"", ""}}, 
   {330.2192, 9.5008, "Meta"} -> {{1, 26560, 1}, {"Gestodene metabolite 2 [ \
C21 H30 O3, db=68.18, overall=34.09, KEGG ID=, CAS ID= ]", ""}}, 
   {262.12, 9.519543, "Meta"} -> {{62633, 55805, 53179}, 
     {"Artemisin [ C15 H18 O4, db=68.17, overall=34.08, Lipid \
ID=LMPR01030020, KEGG ID=C09344 ]", ""}}, {264.1357, 9.516806, "Meta"} -> 
    {{192932, 159292, 159289}, {"", ""}}, {327.2406, 9.530406, "Meta"} -> 
    {{1, 39831, 1}, {"", ""}}, {463.184, 9.53997, "Meta"} -> 
    {{47590, 53276, 39404}, {"Ritodrine glucuronide [ C23 H29 N O9, db=95.20, \
overall=47.60, KEGG ID=, CAS ID=129464-58-0 ]", "129464-58-0"}}, 
   {273.1762, 9.569387, "Meta"} -> {{63207, 63300, 61840}, {"", ""}}, 
   {327.2405, 9.610461, "Meta"} -> {{1, 44540, 1}, {"", ""}}, 
   {273.1762, 9.6855, "Meta"} -> {{85168, 80393, 80274}, {"", ""}}, 
   {360.1935, 9.683611, "Meta"} -> {{102473, 85592, 59501}, 
     {"Aldosterone [ C21 H28 O5, db=80.00, overall=40.00, KEGG ID=, CAS \
ID=52-39-1 ]", "52-39-1"}}, {238.1201, 9.702206, "Meta"} -> 
    {{268433, 1, 123343}, {"", ""}}, {520.202, 9.758688, "Meta"} -> 
    {{40726, 1, 37768}, {"", ""}}, {422.2412, 9.75828, "Meta"} -> 
    {{358201, 321828, 298090}, {"", ""}}, {362.2091, 9.759223, "Meta"} -> 
    {{1099631, 978640, 933671}, {"20alpha-Dihydroprednisolone [ C21 H30 O5, \
db=80.45, overall=40.22, KEGG ID=, CAS ID=15847-24-2 ]", "15847-24-2"}}, 
   {346.214, 9.791315, "Meta"} -> {{29365, 29720, 29672}, 
     {"Corticosterone [ C21 H30 O4, db=61.19, overall=30.59, HMP \
ID=HMDB01547, KEGG ID= ]", ""}}, {638.2274, 9.789353, "Meta"} -> 
    {{22435, 24836, 21728}, {"", ""}}, {346.1525, 9.793889, "Meta"} -> 
    {{195476, 147269, 135930}, {"", ""}}, {562.2387, 9.788788, "Meta"} -> 
    {{50118, 74756, 61191}, {"", ""}}, {557.2833, 9.790912, "Meta"} -> 
    {{19207, 20069, 17490}, {"", ""}}, {510.2462, 9.815877, "Meta"} -> 
    {{24142, 22676, 15103}, {"", ""}}, {229.1674, 9.85191, "Meta"} -> 
    {{44680, 50389, 42965}, {"", ""}}, {548.2599, 9.858362, "Meta"} -> 
    {{21063, 16720, 17691}, {"", ""}}, {504.2344, 9.858466, "Meta"} -> 
    {{16816, 45362, 15791}, {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 \
O9, db=72.48, overall=36.24, KEGG ID=, CAS ID= ]", ""}}, 
   {470.3088, 9.879321, "Meta"} -> {{225814, 217149, 55345}, {"", ""}}, 
   {550.2021, 9.877315, "Meta"} -> {{29350, 27666, 26270}, {"", ""}}, 
   {346.1525, 9.904173, "Meta"} -> {{161241, 162214, 124358}, {"", ""}}, 
   {238.0238, 9.941334, "Meta"} -> {{108729, 69880, 98502}, {"", ""}}, 
   {396.272, 9.949917, "Meta"} -> {{194999, 196346, 182488}, {"", ""}}, 
   {352.1786, 9.951111, "Meta"} -> {{185602, 201413, 190137}, {"", ""}}, 
   {244.0709, 9.960057, "Meta"} -> {{55312, 49684, 52139}, 
     {"Uridine [ C9 H12 N2 O6, db=67.18, overall=33.59, KEGG ID=C00299, CAS \
ID=58-96-8 ]", "58-96-8"}}, {238.1185, 9.979892, "Meta"} -> 
    {{70332, 40720, 29192}, {"", ""}}, {330.1981, 9.977964, "Meta"} -> 
    {{53556, 1, 58735}, 
     {"Val Arg Gly [ C13 H26 N6 O4, db=57.73, overall=28.86 ]", ""}}, 
   {284.0936, 9.975928, "Meta"} -> {{57536, 49939, 51197}, {"", ""}}, 
   {463.2106, 10.027572, "Meta"} -> {{13182, 1, 12864}, {"", ""}}, 
   {314.1266, 10.0307455, "Meta"} -> {{153943, 126072, 115467}, {"", ""}}, 
   {314.2933, 10.043069, "Meta"} -> {{47912, 1, 1}, {"", ""}}, 
   {285.1574, 10.05632, "Meta"} -> {{1, 23920, 18676}, 
     {"6,7-Dimethyltetrahydropterin [ C15 H19 N5 O, db=55.04, overall=27.52, \
HMP ID=HMDB02397, KEGG ID= ]", ""}}, {300.1323, 10.061844, "Meta"} -> 
    {{50174, 50935, 49178}, {"8-Hydroxypromazine [ C17 H20 N2 O S, db=45.98, \
overall=22.99, KEGG ID=, CAS ID=130349-17-6 ]", "130349-17-6"}}, 
   {356.0424, 10.055119, "Meta"} -> {{60389, 1, 39280}, {"", ""}}, 
   {758.2462, 10.054517, "Meta"} -> {{54143, 1, 1}, {"", ""}}, 
   {524.1633, 10.055028, "Meta"} -> {{23596, 26362, 26839}, {"", ""}}, 
   {338.0701, 10.055571, "Meta"} -> {{247601, 231050, 215170}, 
     {"Asn Cys Cys [ C10 H18 N4 O5 S2, db=69.48, overall=34.74 ]", ""}}, 
   {240.0997, 10.05514, "Meta"} -> {{2599242, 2347460, 2284143}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=99.31, overall=49.66, KEGG ID=, CAS ID=56392-15-5 ]", "56392-15-5"}}, 
   {180.0783, 10.055166, "Meta"} -> {{321865, 297152, 286837}, 
     {"o-Methoxyhydrocinnamic acid [ C10 H12 O3, db=99.04, overall=49.52, \
KEGG ID=, CAS ID= ]", ""}}, {222.0891, 10.055057, "Meta"} -> 
    {{1641720, 1565528, 1471301}, {"2E,4E,8E,10E-Dodecatetraenedioic acid [ \
C12 H14 O4, db=99.63, overall=49.81, Lipid ID=, KEGG ID= ]", ""}}, 
   {773.212, 10.0548, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {428.1355, 10.05561, "Meta"} -> {{42232, 42556, 36297}, {"", ""}}, 
   {284.0629, 10.055297, "Meta"} -> {{16385, 27586, 1}, {"", ""}}, 
   {370.0939, 10.056542, "Meta"} -> {{27545, 23670, 21028}, {"", ""}}, 
   {518.1473, 10.055831, "Meta"} -> {{78465, 62357, 63184}, {"", ""}}, 
   {353.0342, 10.055324, "Meta"} -> {{130986, 1, 83696}, {"", ""}}, 
   {413.0684, 10.055799, "Meta"} -> {{69654, 59415, 47218}, {"", ""}}, 
   {254.1151, 10.055778, "Meta"} -> {{91838, 86280, 87285}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=92.65, overall=46.32, Lipid ID=, KEGG ID= ]", ""}}, 
   {382.1291, 10.055561, "Meta"} -> {{29638, 1, 35749}, 
     {"Asn Phe Cys [ C16 H22 N4 O5 S, db=52.83, overall=26.41 ]", ""}}, 
   {270.1108, 10.057515, "Meta"} -> {{143364, 133759, 146144}, 
     {"Idebenone Metabolite (Benzenebutanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C13 H18 O6, db=87.10, overall=43.55, \
KEGG ID=, CAS ID=95233-52-6 ]", "95233-52-6"}}, 
   {238.0837, 10.05803, "Meta"} -> {{32641, 35589, 39342}, 
     {"Propanoic acid, 2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- [ C12 H14 O5, \
db=79.56, overall=39.78, KEGG ID=, CAS ID=53564-64-0 ]", "53564-64-0"}}, 
   {329.2564, 10.071557, "Meta"} -> {{110294, 92542, 93493}, {"", ""}}, 
   {298.1417, 10.074715, "Meta"} -> {{1, 1, 1}, {"Idebenone Metabolite \
(Benzenehexanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, \
db=61.89, overall=30.94, KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {267.1807, 10.080885, "Meta"} -> {{1, 67847, 1}, 
     {"Metoprolol [ C15 H25 N O3, db=55.81, overall=27.91, KEGG ID=C07202, \
CAS ID=51384-51-1 ]", "51384-51-1"}}, {213.1727, 10.082888, "Meta"} -> 
    {{146572, 99281, 144728}, {"", ""}}, {280.1306, 10.084135, "Meta"} -> 
    {{15332, 1, 16748}, {"Betaxolol(deaminated) [ C15 H20 O5, db=67.92, \
overall=33.96, KEGG ID=, CAS ID=87549-34-6 ]", "87549-34-6"}}, 
   {324.0999, 10.10015, "Meta"} -> {{709522, 764608, 427522}, 
     {"7-Hydroxywarfarin [ C19 H16 O5, db=62.79, overall=31.40, KEGG ID=, CAS \
ID=17834-03-6 ]", "17834-03-6"}}, {542.2723, 10.113879, "Meta"} -> 
    {{20376, 12381, 1}, {"", ""}}, {226.1503, 10.1374, "Meta"} -> 
    {{70645, 63748, 96208}, {"", ""}}, {564.2545, 10.16625, "Meta"} -> 
    {{22714, 27157, 23991}, {"", ""}}, {157.1461, 10.186832, "Meta"} -> 
    {{145138, 161345, 173292}, {"", ""}}, {776.6856, 10.190693, "Meta"} -> 
    {{120691, 101938, 93637}, {"Thyroxine [ C15 H11 I4 N O4, db=98.31, \
overall=49.15, KEGG ID=C08212, CAS ID=51-48-9 ]", "51-48-9"}}, 
   {275.1915, 10.220444, "Meta"} -> {{146368, 139160, 132233}, {"", ""}}, 
   {258.165, 10.220358, "Meta"} -> {{13003, 1, 1}, {"", ""}}, 
   {250.1179, 10.22413, "Meta"} -> {{23613, 20762, 1}, {"", ""}}, 
   {210.123, 10.228934, "Meta"} -> {{75776, 77935, 69123}, {"", ""}}, 
   {346.1381, 10.229135, "Meta"} -> {{21710, 1, 15023}, {"", ""}}, 
   {286.1097, 10.229067, "Meta"} -> {{1, 15171, 1}, 
     {"His Met [ C11 H18 N4 O3 S, db=62.46, overall=31.23 ]", ""}}, 
   {438.1865, 10.251937, "Meta"} -> {{20617, 19549, 1}, 
     {"Phe Ser Trp [ C23 H26 N4 O5, db=47.42, overall=23.71 ]", ""}}, 
   {254.1509, 10.254307, "Meta"} -> {{47227, 21465, 1}, {"", ""}}, 
   {222.1614, 10.2523, "Meta"} -> {{1, 28734, 29690}, {"", ""}}, 
   {272.162, 10.262467, "Meta"} -> {{1, 20959, 35980}, {"", ""}}, 
   {324.0948, 10.281, "Meta"} -> {{1, 1, 29311}, {"", ""}}, 
   {166.0989, 10.282687, "Meta"} -> {{42228, 49603, 43216}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=46.36, overall=23.18, Lipid \
ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, {615.2453, 10.311601, "Meta"} -> 
    {{52074, 45152, 31050}, {"", ""}}, {582.2476, 10.3178005, "Meta"} -> 
    {{611083, 497027, 475631}, {"Biliverdin IX [ C33 H34 N4 O6, db=70.82, \
overall=35.41, HMP ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", 
      " 114-25-0"}}, {612.2579, 10.319498, "Meta"} -> 
    {{26013, 62516, 51511}, {"", ""}}, {598.2435, 10.3203745, "Meta"} -> 
    {{53449, 46641, 33375}, {"", ""}}, {580.2318, 10.321624, "Meta"} -> 
    {{1, 92697, 80593}, {"", ""}}, {302.1078, 10.325857, "Meta"} -> 
    {{16004, 1, 21473}, {"", ""}}, {299.1918, 10.32961, "Meta"} -> 
    {{279124, 261828, 284854}, {"", ""}}, {144.1147, 10.324371, "Meta"} -> 
    {{1, 1, 1}, {"\207-ethyl caproic acid [ C8 H16 O2, db=81.51, \
overall=40.75, KEGG ID=, CAS ID= ]", ""}}, {489.1998, 10.348856, "Meta"} -> 
    {{36913, 29725, 19766}, {"Terbinafine metabolite glucuronide [ C25 H31 N \
O9, db=76.80, overall=38.40, KEGG ID=, CAS ID= ]", ""}}, 
   {264.0959, 10.353962, "Meta"} -> {{31569, 29432, 26358}, {"", ""}}, 
   {319.0784, 10.364562, "Meta"} -> {{1, 19008, 39421}, {"", ""}}, 
   {453.2262, 10.414259, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {252.134, 10.437142, "Meta"} -> {{87675, 76785, 91497}, {"", ""}}, 
   {343.2186, 10.472101, "Meta"} -> {{1, 29907, 27714}, {"", ""}}, 
   {632.2476, 10.46173, "Meta"} -> {{22112, 20145, 22460}, {"", ""}}, 
   {314.1266, 10.46791, "Meta"} -> {{43475, 41921, 41965}, {"", ""}}, 
   {245.145, 10.478071, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {690.4105, 10.481418, "Meta"} -> {{16002, 16082, 15272}, {"", ""}}, 
   {492.2092, 10.482031, "Meta"} -> {{45549, 40311, 40251}, {"", ""}}, 
   {416.2284, 10.482223, "Meta"} -> {{147652, 144606, 135528}, 
     {"Ramipril [ C23 H32 N2 O5, db=71.08, overall=35.54, KEGG ID=C07232, CAS \
ID=87333-19-5 ]", "87333-19-5"}}, {356.1961, 10.4823885, "Meta"} -> 
    {{224648, 189049, 176052}, {"", ""}}, {316.2036, 10.483486, "Meta"} -> 
    {{89941, 74633, 81356}, {"Acitretin Ro 23-4293 [ C20 H28 O3, db=83.16, \
overall=41.58, KEGG ID=, CAS ID=121693-28-5 ]", "121693-28-5"}}, 
   {319.218, 10.518692, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {250.118, 10.512572, "Meta"} -> {{38594, 42580, 54859}, {"", ""}}, 
   {205.1132, 10.609686, "Meta"} -> {{124991, 148288, 162098}, {"", ""}}, 
   {218.0879, 10.616875, "Meta"} -> {{223531, 68108, 137062}, {"", ""}}, 
   {254.1511, 10.619676, "Meta"} -> {{94101, 85350, 86446}, {"", ""}}, 
   {243.1831, 10.626083, "Meta"} -> {{196031, 165844, 158123}, {"", ""}}, 
   {225.1725, 10.6266775, "Meta"} -> {{32926, 1, 32113}, {"", ""}}, 
   {385.2821, 10.648808, "Meta"} -> {{13058, 1, 1}, {"", ""}}, 
   {602.2044, 10.638667, "Meta"} -> {{16036, 22432, 17561}, {"", ""}}, 
   {545.3771, 10.661119, "Meta"} -> {{130335, 130436, 138929}, {"", ""}}, 
   {325.2075, 10.677681, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {173.1233, 10.677229, "Meta"} -> {{108388, 131598, 177810}, {"", ""}}, 
   {171.1619, 10.675749, "Meta"} -> {{80473, 102711, 110430}, {"", ""}}, 
   {301.2074, 10.694365, "Meta"} -> {{75161, 65259, 69122}, {"", ""}}, 
   {286.1105, 10.689359, "Meta"} -> {{39456, 29566, 34247}, 
     {"Hydroxymelphalan [ C13 H19 Cl N2 O3, db=66.75, overall=33.38, KEGG \
ID=, CAS ID=61733-01-5 ]", "61733-01-5"}}, {346.1349, 10.691233, "Meta"} -> 
    {{41979, 34253, 35395}, {"", ""}}, {343.2722, 10.704386, "Meta"} -> 
    {{142640, 137270, 117987}, {"Dodecanoylcarnitine [ C19 H37 N O4, \
db=90.71, overall=45.36, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {302.1125, 10.712086, "Meta"} -> {{28886, 23937, 1}, {"", ""}}, 
   {340.1257, 10.728134, "Meta"} -> {{29172, 20384, 22885}, {"", ""}}, 
   {242.1516, 10.728, "Meta"} -> {{230814, 212026, 205336}, {"", ""}}, 
   {400.1631, 10.728265, "Meta"} -> {{30087, 26723, 28208}, 
     {"N-AcetylCilastatin [ C18 H28 N2 O6 S, db=63.48, overall=31.74, KEGG \
ID=, CAS ID=94388-32-6 ]", "94388-32-6"}}, {331.2723, 10.732485, "Meta"} -> 
    {{51607, 28164, 39598}, {"", ""}}, {252.1335, 10.748029, "Meta"} -> 
    {{28132, 25509, 37420}, {"", ""}}, {212.1408, 10.760103, "Meta"} -> 
    {{135102, 112848, 44834}, {"12-oxo-10Z-dodecenoic acid [ C12 H20 O3, \
db=80.89, overall=40.45, Lipid ID=, KEGG ID= ]", ""}}, 
   {239.1884, 10.751323, "Meta"} -> {{51129, 1, 49494}, {"", ""}}, 
   {226.0562, 10.78225, "Meta"} -> {{109542, 59393, 117363}, {"", ""}}, 
   {367.2718, 10.79603, "Meta"} -> {{47796, 38059, 22079}, {"", ""}}, 
   {262.1177, 10.825701, "Meta"} -> {{235875, 222400, 199143}, {"", ""}}, 
   {343.2721, 10.835971, "Meta"} -> {{87005, 63684, 39279}, 
     {"Dodecanoylcarnitine [ C19 H37 N O4, db=97.12, overall=48.56, HMP \
ID=HMDB02250, KEGG ID= ]", ""}}, {227.1882, 10.834806, "Meta"} -> 
    {{311725, 337739, 316997}, {"", ""}}, {281.1964, 10.834471, "Meta"} -> 
    {{149680, 153383, 139935}, {"", ""}}, {589.4036, 10.839125, "Meta"} -> 
    {{126003, 127797, 127379}, {"", ""}}, {316.1647, 10.838167, "Meta"} -> 
    {{47566, 46517, 42523}, {"Gibberellin A9 [ C19 H24 O4, db=60.62, \
overall=30.31, Lipid ID=LMPR01040080, KEGG ID=C11863 ]", ""}}, 
   {594.3588, 10.837862, "Meta"} -> {{176336, 162708, 162274}, {"", ""}}, 
   {346.1531, 10.850415, "Meta"} -> {{1, 18784, 23213}, {"", ""}}, 
   {360.1682, 10.850501, "Meta"} -> {{17989, 35950, 43946}, {"", ""}}, 
   {328.142, 10.851166, "Meta"} -> {{92444, 88599, 112246}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=71.54, overall=35.77 ]", ""}}, 
   {298.1327, 10.851243, "Meta"} -> {{1, 34832, 1}, {"", ""}}, 
   {355.272, 10.84606, "Meta"} -> {{125519, 1, 1}, {"", ""}}, 
   {383.288, 10.873963, "Meta"} -> {{81039, 83571, 75999}, {"", ""}}, 
   {388.2436, 10.871462, "Meta"} -> {{108657, 1, 97520}, 
     {"Thr Ile Arg [ C16 H32 N6 O5, db=61.43, overall=30.71 ]", ""}}, 
   {284.1808, 10.88514, "Meta"} -> {{48472, 59301, 42717}, {"", ""}}, 
   {301.2077, 10.885583, "Meta"} -> {{1272581, 1235041, 1195318}, {"", ""}}, 
   {276.1936, 10.92211, "Meta"} -> {{172121, 160382, 155465}, {"", ""}}, 
   {342.3243, 10.933499, "Meta"} -> {{36779, 37850, 1}, {"", ""}}, 
   {242.1516, 10.939269, "Meta"} -> {{596458, 531991, 502340}, {"", ""}}, 
   {400.163, 10.940041, "Meta"} -> {{63541, 74582, 72541}, 
     {"N-AcetylCilastatin [ C18 H28 N2 O6 S, db=61.45, overall=30.73, KEGG \
ID=, CAS ID=94388-32-6 ]", "94388-32-6"}}, {287.2463, 10.968501, "Meta"} -> 
    {{40292, 82665, 84944}, {"", ""}}, {498.3417, 10.976148, "Meta"} -> 
    {{61774, 59770, 54387}, {"", ""}}, {381.2882, 10.990801, "Meta"} -> 
    {{14822, 1, 1}, {"5,6-DiHETrE-EA [ C22 H39 N O4, db=62.62, overall=31.31, \
Lipid ID=LMFA08040029, KEGG ID= ]", ""}}, {431.2308, 10.993176, "Meta"} -> 
    {{23728, 1, 14732}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=63.44, overall=31.72 ]", ""}}, 
   {414.2039, 10.993806, "Meta"} -> {{105946, 75837, 89975}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=75.35, overall=37.67 ]", ""}}, 
   {616.403, 10.994139, "Meta"} -> {{177620, 1, 170997}, {"", ""}}, 
   {633.4297, 10.99538, "Meta"} -> {{118229, 108154, 110610}, {"", ""}}, 
   {285.9721, 10.995276, "Meta"} -> {{59173, 31508, 154952}, {"", ""}}, 
   {249.1109, 11.002543, "Meta"} -> {{55563, 52478, 40483}, {"", ""}}, 
   {440.2017, 10.997424, "Meta"} -> {{37729, 42738, 33780}, 
     {"Phe Gln Phe [ C23 H28 N4 O5, db=38.67, overall=19.34 ]", ""}}, 
   {276.1334, 11.004139, "Meta"} -> {{49111, 37812, 38950}, 
     {"Saccharopine [ C11 H20 N2 O6, db=56.45, overall=28.23, KEGG ID=, CAS \
ID=997-68-2 ]", "997-68-2"}}, {465.3087, 11.014788, "Meta"} -> 
    {{74238, 65230, 62582}, {"Cholylglycine [ C26 H43 N O6, db=75.71, \
overall=37.85, KEGG ID=, CAS ID=475-31-0 ]", "475-31-0"}}, 
   {236.1403, 11.007713, "Meta"} -> {{63300, 37215, 35592}, {"", ""}}, 
   {345.2335, 11.036324, "Meta"} -> {{119120, 120237, 104549}, {"", ""}}, 
   {410.2874, 11.06508, "Meta"} -> {{113166, 113160, 104021}, {"", ""}}, 
   {402.2185, 11.074946, "Meta"} -> {{17089, 21326, 19333}, 
     {"Trandolaprilat [ C22 H30 N2 O5, db=47.66, overall=23.83, KEGG ID=, CAS \
ID=87679-71-8 ]", "87679-71-8"}}, {276.0972, 11.078914, "Meta"} -> 
    {{24901, 31193, 29354}, 
     {"Glu Glu [ C10 H16 N2 O7, db=71.47, overall=35.73 ]", ""}}, 
   {331.2721, 11.109583, "Meta"} -> {{43468, 86927, 93621}, {"", ""}}, 
   {402.1563, 11.114313, "Meta"} -> {{570722, 18517, 19849}, {"", ""}}, 
   {321.215, 11.114806, "Meta"} -> {{7419091, 187314, 246585}, {"", ""}}, 
   {304.1884, 11.114723, "Meta"} -> {{1.81*^7, 563008, 633853}, {"", ""}}, 
   {224.0838, 11.132531, "Meta"} -> {{1, 49095, 30145}, {"", ""}}, 
   {278.0912, 11.133195, "Meta"} -> {{1, 60742, 29138}, 
     {"Glu Met [ C10 H18 N2 O5 S, db=50.61, overall=25.31 ]", ""}}, 
   {327.223, 11.149416, "Meta"} -> {{144297, 151902, 144304}, 
     {"Levonorgestrel oxime [ C21 H29 N O2, db=60.97, overall=30.49, KEGG \
ID=, CAS ID=53016-31-2 ]", "53016-31-2"}}, {172.1474, 11.181901, "Meta"} -> 
    {{1, 31491, 24507}, {"3-methyl-nonanoic acid [ C10 H20 O2, db=48.71, \
overall=24.36, Lipid ID=, KEGG ID= ]", ""}}, {238.1544, 11.197818, "Meta"} -> 
    {{121602, 135775, 125529}, {"", ""}}, {265.0592, 11.2015, "Meta"} -> 
    {{401750, 196208, 159136}, {"", ""}}, {256.1671, 11.202999, "Meta"} -> 
    {{90164, 67566, 82429}, {"", ""}}, {331.272, 11.201206, "Meta"} -> 
    {{1, 62353, 18352}, {"", ""}}, {202.1566, 11.219847, "Meta"} -> 
    {{1, 1, 1}, {"10-hydroxy-undecanoic acid [ C11 H22 O3, db=57.60, \
overall=28.80, Lipid ID=, KEGG ID= ]", ""}}, {357.2877, 11.224555, "Meta"} -> 
    {{220630, 209476, 196516}, {"", ""}}, {287.2463, 11.230424, "Meta"} -> 
    {{32131, 51250, 30251}, {"", ""}}, {286.196, 11.254839, "Meta"} -> 
    {{14253, 15615, 1}, {"Androstenedione [ C19 H26 O2, db=51.24, \
overall=25.62, KEGG ID=C00280, CAS ID=63-05-8 ]", "63-05-8"}}, 
   {306.1806, 11.240032, "Meta"} -> {{1, 1, 38480}, 
     {"Tetranor Iloprost [ C18 H26 O4, db=57.37, overall=28.69, KEGG ID=, CAS \
ID=93220-69-0 ]", "93220-69-0"}}, {303.223, 11.255501, "Meta"} -> 
    {{211372, 199973, 196001}, {"", ""}}, {288.1332, 11.251001, "Meta"} -> 
    {{37574, 36576, 34262}, {"4-Methylumbelliferyl heptanoate [ C17 H20 O4, \
db=40.76, overall=20.38, KEGG ID=, CAS ID=18319-92-1 ]", "18319-92-1"}}, 
   {248.1406, 11.251324, "Meta"} -> {{22732, 18985, 18729}, 
     {"2,4-Pentadienoic acid, \
3-methyl-5-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)- [ C15 H20 O3, db=58.71, \
overall=29.36, KEGG ID=, CAS ID=126624-24-6 ]", "126624-24-6"}}, 
   {358.2326, 11.257731, "Meta"} -> {{59463, 60650, 60470}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=70.59, overall=35.30 ]", ""}}, 
   {717.4275, 11.272499, "Meta"} -> {{35286, 32793, 43137}, {"", ""}}, 
   {587.1718, 11.289588, "Meta"} -> {{19675, 16298, 15305}, {"", ""}}, 
   {294.1107, 11.290332, "Meta"} -> {{30631, 22108, 25586}, {"", ""}}, 
   {1280.5605, 11.288729, "Meta"} -> {{18522, 1, 11137}, {"", ""}}, 
   {452.1514, 11.289388, "Meta"} -> {{78524, 60325, 63949}, {"", ""}}, 
   {586.2752, 11.289446, "Meta"} -> {{115517, 123527, 134110}, {"", ""}}, 
   {527.1393, 11.289233, "Meta"} -> {{117175, 82717, 81047}, {"", ""}}, 
   {496.1945, 11.289706, "Meta"} -> {{29923, 1, 23199}, 
     {"Trp Glu Tyr [ C25 H28 N4 O7, db=59.40, overall=29.70 ]", ""}}, 
   {845.4351, 11.289027, "Meta"} -> {{293203, 189184, 248739}, {"", ""}}, 
   {530.1451, 11.290032, "Meta"} -> {{68657, 40733, 42276}, 
     {"Ketoconazole [ C26 H28 Cl2 N4 O4, db=59.08, overall=29.54, KEGG \
ID=C07061, CAS ID=65277-42-1 ]", "65277-42-1"}}, 
   {531.2824, 11.290118, "Meta"} -> {{21264, 23235, 29818}, {"", ""}}, 
   {866.3558, 11.289026, "Meta"} -> {{73276, 47804, 59924}, {"", ""}}, 
   {876.3872, 11.289584, "Meta"} -> {{42845, 30176, 36134}, {"", ""}}, 
   {608.2851, 11.289752, "Meta"} -> {{20663, 15134, 16947}, 
     {" [ C34 H42 N O9, db=0.00, overall=41.18, mfg=82.37 ]", ""}}, 
   {445.2463, 11.290056, "Meta"} -> {{124788, 97139, 121157}, {"", ""}}, 
   {534.248, 11.289888, "Meta"} -> {{931057, 848907, 1008332}, {"", ""}}, 
   {512.1748, 11.289804, "Meta"} -> {{250292, 207260, 226947}, {"", ""}}, 
   {485.2606, 11.290346, "Meta"} -> {{70272, 100816, 37795}, {"", ""}}, 
   {414.2037, 11.289584, "Meta"} -> {{1.14*^7, 9163285, 1.03*^7}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=82.04, overall=41.02 ]", ""}}, 
   {280.131, 11.2896385, "Meta"} -> {{96049, 80560, 87261}, 
     {"Betaxolol(deaminated) [ C15 H20 O5, db=93.07, overall=46.54, KEGG ID=, \
CAS ID=87549-34-6 ]", "87549-34-6"}}, {431.2309, 11.289611, "Meta"} -> 
    {{3914880, 3000673, 3392321}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=83.76, overall=41.88 ]", ""}}, 
   {487.292, 11.2910595, "Meta"} -> {{47268, 30287, 33468}, {"", ""}}, 
   {544.1991, 11.289091, "Meta"} -> {{1, 22906, 21616}, {"", ""}}, 
   {471.2445, 11.291112, "Meta"} -> {{33659, 31156, 42939}, {"", ""}}, 
   {459.2618, 11.289667, "Meta"} -> {{557123, 428239, 444573}, 
     {"Arg Val Trp [ C22 H33 N7 O4, db=83.80, overall=41.90 ]", ""}}, 
   {457.2271, 11.291111, "Meta"} -> {{111530, 82065, 90370}, {"", ""}}, 
   {493.246, 11.289943, "Meta"} -> {{31564, 22735, 27082}, 
     {"Epothilone A [ C26 H39 N O6 S, db=62.97, overall=31.48, Lipid \
ID=LMPK01000045, KEGG ID=C12153 ]", ""}}, {560.2447, 11.289834, "Meta"} -> 
    {{33619, 34244, 37434}, {"Chloramphenicol palmitate [ C27 H42 Cl2 N2 O6, \
db=50.93, overall=25.46, KEGG ID=C11726, CAS ID=530-43-8 ]", "530-43-8"}}, 
   {473.2773, 11.28986, "Meta"} -> {{77057, 81621, 107592}, 
     {"Leu Trp Arg [ C23 H35 N7 O4, db=65.72, overall=32.86 ]", ""}}, 
   {480.1932, 11.290501, "Meta"} -> {{53954, 37036, 37250}, {"", ""}}, 
   {440.2009, 11.290919, "Meta"} -> {{177943, 149784, 140162}, 
     {"punaglandin 8 [ C23 H33 Cl O6, db=31.94, overall=15.97, Lipid \
ID=LMFA03120045, KEGG ID= ]", ""}}, {749.4477, 11.296001, "Meta"} -> 
    {{19912, 13857, 1}, {"", ""}}, {455.3245, 11.3231, "Meta"} -> 
    {{1, 23613, 1}, {"", ""}}, {369.2876, 11.339501, "Meta"} -> 
    {{87368, 69812, 38375}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, \
db=97.62, overall=48.81, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {226.1929, 11.347332, "Meta"} -> {{133310, 131588, 131746}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=85.58, overall=42.79, \
KEGG ID=, CAS ID= ]", ""}}, {336.1572, 11.353258, "Meta"} -> 
    {{94938, 73703, 99618}, {"", ""}}, {243.2196, 11.351666, "Meta"} -> 
    {{42766, 38053, 28611}, {"2-amino-tetradecanoic acid [ C14 H29 N O2, \
db=77.47, overall=38.74, Lipid ID=, KEGG ID= ]", ""}}, 
   {256.1672, 11.371285, "Meta"} -> {{190498, 198882, 171946}, {"", ""}}, 
   {285.1361, 11.375806, "Meta"} -> {{212178, 212285, 153614}, 
     {"Morphine [ C17 H19 N O3, db=95.72, overall=47.86, KEGG ID=C01516, CAS \
ID=57-27-2 ]", "57-27-2"}}, {282.1465, 11.395613, "Meta"} -> 
    {{105555, 97481, 97732}, {"Artemisinin [ C15 H22 O5, db=88.47, \
overall=44.23, KEGG ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {208.1094, 11.39564, "Meta"} -> {{182247, 151797, 161892}, 
     {"1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo- [ C12 H16 O3, \
db=81.98, overall=40.99, KEGG ID=, CAS ID=28043-09-6 ]", "28043-09-6"}}, 
   {250.1206, 11.395556, "Meta"} -> {{1281016, 1159449, 1095245}, 
     {"Ubiquinone [ C14 H18 O4, db=99.59, overall=49.80, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {366.1019, 11.395695, "Meta"} -> 
    {{190162, 160591, 143765}, 
     {"Cys Asn Met [ C12 H22 N4 O5 S2, db=72.32, overall=36.16 ]", ""}}, 
   {381.0665, 11.395805, "Meta"} -> {{75917, 60159, 45742}, {"", ""}}, 
   {268.131, 11.395668, "Meta"} -> {{2201228, 1957252, 1885868}, {"", ""}}, 
   {842.34, 11.395239, "Meta"} -> {{22351, 1, 16524}, {"", ""}}, 
   {589.1759, 11.39528, "Meta"} -> {{16924, 10305, 8446}, {"", ""}}, 
   {384.0751, 11.395806, "Meta"} -> {{56241, 43808, 38302}, {"", ""}}, 
   {649.2068, 11.395183, "Meta"} -> {{22097, 20798, 16328}, {"", ""}}, 
   {504.2696, 11.396668, "Meta"} -> {{64175, 56701, 43653}, {"", ""}}, 
   {312.0943, 11.396322, "Meta"} -> {{1, 19873, 20644}, {"", ""}}, 
   {575.2477, 11.396999, "Meta"} -> {{1, 9555, 1}, {"", ""}}, 
   {328.1616, 11.3960285, "Meta"} -> {{82569, 75787, 73617}, 
     {"Methotrimeprazine [ C19 H24 N2 O S, db=76.92, overall=38.46, KEGG \
ID=C07192, CAS ID=60-99-1 ]", "60-99-1"}}, {441.1043, 11.396527, "Meta"} -> 
    {{56349, 49574, 37385}, {"", ""}}, {398.1249, 11.39558, "Meta"} -> 
    {{23938, 21339, 17115}, 
     {"Cys Tyr Asn [ C16 H22 N4 O6 S, db=64.30, overall=32.15 ]", ""}}, 
   {410.1626, 11.397676, "Meta"} -> {{30265, 1, 1}, 
     {"Phe Asn Met [ C18 H26 N4 O5 S, db=72.68, overall=36.34 ]", ""}}, 
   {426.1383, 11.396766, "Meta"} -> {{125576, 138919, 143938}, 
     {"Mometasone [ C22 H28 Cl2 O4, db=54.85, overall=27.42, KEGG ID=C07816, \
CAS ID=105102-22-5 ]", "105102-22-5"}}, {136.1248, 11.399722, "Meta"} -> 
    {{79891, 73113, 67798}, {"(+)-Limonene [ C10 H16, db=85.33, \
overall=42.67, Lipid ID=LMPR01020041, KEGG ID=C06099 ]", ""}}, 
   {266.115, 11.397911, "Meta"} -> {{19229, 22401, 26597}, {"", ""}}, 
   {214.1567, 11.399723, "Meta"} -> {{1137190, 1071141, 1003127}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=86.76, overall=43.38, \
Lipid ID=, KEGG ID= ]", ""}}, {274.189, 11.399056, "Meta"} -> 
    {{141428, 69336, 139162}, {"", ""}}, {312.1249, 11.399559, "Meta"} -> 
    {{44002, 29713, 30415}, {"", ""}}, {154.1354, 11.39986, "Meta"} -> 
    {{145508, 139453, 117379}, {"Linalool [ C10 H18 O, db=84.18, \
overall=42.09, Lipid ID=LMPR01020038, KEGG ID=C03985 ]", ""}}, 
   {647.4454, 11.415207, "Meta"} -> {{130960, 140646, 137724}, {"", ""}}, 
   {196.1447, 11.415208, "Meta"} -> {{34186, 33063, 1}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=61.34, overall=30.67, Lipid ID=, \
KEGG ID= ]", ""}}, {397.3034, 11.419818, "Meta"} -> 
    {{104393, 107124, 74718}, {"", ""}}, {518.121, 11.434154, "Meta"} -> 
    {{13354, 16452, 1}, {"", ""}}, {336.157, 11.451531, "Meta"} -> 
    {{80297, 84359, 95310}, {"", ""}}, {246.1829, 11.451807, "Meta"} -> 
    {{51796, 22244, 1}, {"", ""}}, {241.2038, 11.455589, "Meta"} -> 
    {{63346, 38214, 42337}, {"", ""}}, {478.2178, 11.45214, "Meta"} -> 
    {{59523, 61601, 51581}, {"Formestane-4-O-glucuronide [ C25 H34 O9, \
db=82.02, overall=41.01, KEGG ID=, CAS ID=102848-54-4 ]", "102848-54-4"}}, 
   {210.1249, 11.457354, "Meta"} -> {{86535, 71577, 58270}, 
     {"Jasmonic acid [ C12 H18 O3, db=81.52, overall=40.76, Lipid \
ID=LMFA02020001, KEGG ID= ]", ""}}, {342.2878, 11.461249, "Meta"} -> 
    {{29098, 30238, 19460}, {"", ""}}, {367.1506, 11.475408, "Meta"} -> 
    {{1, 1, 27424}, 
     {"Asp His Pro [ C15 H21 N5 O6, db=71.89, overall=35.95 ]", ""}}, 
   {285.1362, 11.475694, "Meta"} -> {{327924, 287234, 288172}, 
     {"Morphine [ C17 H19 N O3, db=98.62, overall=49.31, KEGG ID=C01516, CAS \
ID=57-27-2 ]", "57-27-2"}}, {528.1969, 11.478286, "Meta"} -> 
    {{75149, 59683, 54809}, {"", ""}}, {460.2096, 11.476846, "Meta"} -> 
    {{37237, 35239, 32843}, 
     {"Trp Gln Gln [ C21 H28 N6 O6, db=60.46, overall=30.23 ]", ""}}, 
   {311.2457, 11.484715, "Meta"} -> {{321815, 1, 298961}, {"", ""}}, 
   {347.2489, 11.499638, "Meta"} -> {{44197, 52443, 39880}, {"", ""}}, 
   {356.2318, 11.490559, "Meta"} -> {{20224, 19959, 15595}, 
     {"Estradiol valerate [ C23 H32 O3, db=40.90, overall=20.45, Lipid \
ID=LMST02010039, KEGG ID=C12859 ]", ""}}, {344.1596, 11.518447, "Meta"} -> 
    {{56774, 48438, 14681}, {"16-Hydroxy-4-carboxyretinoic acid [ C20 H24 O5, \
db=62.38, overall=31.19, KEGG ID=, CAS ID=99665-36-8 ]", "99665-36-8"}}, 
   {414.204, 11.526778, "Meta"} -> {{40302, 1, 18920}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=76.96, overall=38.48 ]", ""}}, 
   {413.2931, 11.527801, "Meta"} -> {{83864, 83745, 80277}, {"", ""}}, 
   {449.3137, 11.528334, "Meta"} -> {{207273, 189845, 196286}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=91.01, overall=45.51, HMP \
ID=HMDB00708, KEGG ID= ]", ""}}, {431.3032, 11.527909, "Meta"} -> 
    {{225904, 211596, 196294}, {"", ""}}, {250.1557, 11.546168, "Meta"} -> 
    {{50897, 50346, 54019}, {"Gemfibrozil [ C15 H22 O3, db=55.73, \
overall=27.87, KEGG ID=, CAS ID=25812-30-0 ]", "25812-30-0"}}, 
   {632.2483, 11.548585, "Meta"} -> {{739998, 731895, 826619}, {"", ""}}, 
   {441.3298, 11.567675, "Meta"} -> {{126595, 124777, 120724}, {"", ""}}, 
   {424.3029, 11.567376, "Meta"} -> {{178933, 192347, 194168}, 
     {"2alpha-Fluoro-19-nor-22-oxa-1alpha,25-dihydroxyvitamin D3 [ C25 H41 F \
O4, db=58.90, overall=29.45, Lipid ID=LMST03020616, KEGG ID= ]", ""}}, 
   {488.2383, 11.5761385, "Meta"} -> {{30031, 26177, 25134}, {"", ""}}, 
   {329.2389, 11.608471, "Meta"} -> {{673466, 686864, 710460}, {"", ""}}, 
   {280.165, 11.619699, "Meta"} -> {{129522, 125589, 102167}, {"", ""}}, 
   {386.1862, 11.624001, "Meta"} -> {{29579, 1, 32839}, {"", ""}}, 
   {386.2455, 11.630222, "Meta"} -> {{164538, 141706, 126802}, 
     {"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid [ C24 H34 O4, \
db=85.79, overall=42.90, Lipid ID=, KEGG ID= ]", ""}}, 
   {598.2424, 11.630831, "Meta"} -> {{47448, 46854, 48509}, {"", ""}}, 
   {735.4978, 11.632807, "Meta"} -> {{104051, 103420, 99055}, 
     {"Dipalmitoylphosphatidylserine [ C38 H74 N O10 P, db=54.29, \
overall=27.15, HMP ID=HMDB00614, KEGG ID= ]", ""}}, 
   {370.3555, 11.634998, "Meta"} -> {{37663, 51147, 49054}, {"", ""}}, 
   {468.2595, 11.6322565, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {740.4531, 11.631467, "Meta"} -> {{140680, 1, 132864}, {"", ""}}, 
   {477.1897, 11.660638, "Meta"} -> {{63199, 73655, 78774}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=85.23, overall=42.62, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {582.2477, 11.661, "Meta"} -> 
    {{52625, 51161, 55344}, {"Biliverdin IX [ C33 H34 N4 O6, db=87.31, \
overall=43.66, HMP ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", 
      " 114-25-0"}}, {354.2379, 11.661621, "Meta"} -> 
    {{1, 25627, 29650}, {"13,14-dihydro-15-keto-PGF2alpha [ C20 H34 O5, \
db=42.26, overall=21.13, Lipid ID=LMFA03010027, KEGG ID= ]", ""}}, 
   {520.2644, 11.689971, "Meta"} -> {{51645, 42070, 37523}, 
     {"Medroxyprogesterone glucuronide [ C28 H40 O9, db=48.42, overall=24.21, \
KEGG ID=, CAS ID= ]", ""}}, {485.356, 11.693, "Meta"} -> 
    {{118594, 125518, 115063}, {"", ""}}, {240.1703, 11.670438, "Meta"} -> 
    {{96073, 95648, 86450}, {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic \
acid [ C14 H24 O3, db=65.39, overall=32.69, Lipid ID=, KEGG ID= ]", ""}}, 
   {439.2696, 11.698639, "Meta"} -> {{1, 1, 1}, {"GPA(17:1(9Z)/0:0) [ C20 H42 \
N O7 P, db=58.14, overall=29.07, Lipid ID=LMGP10050002, KEGG ID= ]", ""}}, 
   {414.2039, 11.722752, "Meta"} -> {{94455, 70298, 80511}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=70.02, overall=35.01 ]", ""}}, 
   {522.2801, 11.738907, "Meta"} -> {{62024, 41986, 40899}, {"", ""}}, 
   {262.1541, 11.742794, "Meta"} -> {{55639, 45684, 42422}, {"", ""}}, 
   {272.2133, 11.744, "Meta"} -> {{56167, 54797, 61944}, {"", ""}}, 
   {588.2251, 11.747442, "Meta"} -> {{23185, 33764, 28141}, {"", ""}}, 
   {528.1907, 11.747131, "Meta"} -> {{16634, 1, 18361}, {"", ""}}, 
   {371.3033, 11.768027, "Meta"} -> {{44000, 35005, 21995}, {"", ""}}, 
   {590.3101, 11.752577, "Meta"} -> {{289778, 876692, 261527}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=61.46, overall=30.73, HMP \
ID=HMDB04158, KEGG ID= ]", ""}}, {417.1435, 11.795814, "Meta"} -> 
    {{15692, 16268, 11579}, {"Mefenamic acid Metabolite (b-D-Glucopyranuronic \
acid, 1-[2-[(2,3-dimethylphenyl)amino]benzoate]) [ C21 H23 N O8, db=50.07, \
overall=25.03, KEGG ID=, CAS ID=102623-18-7 ]", "102623-18-7"}}, 
   {282.1151, 11.797542, "Meta"} -> {{55408, 48193, 44246}, {"", ""}}, 
   {342.145, 11.797485, "Meta"} -> {{45267, 46821, 42684}, {"", ""}}, 
   {184.146, 11.798257, "Meta"} -> {{179261, 140887, 134700}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=82.08, overall=41.04, Lipid ID=, \
KEGG ID= ]", ""}}, {373.2647, 11.811193, "Meta"} -> 
    {{1, 1, 34181}, {"", ""}}, {299.2823, 11.815419, "Meta"} -> 
    {{15527, 23848, 1}, {"3-Dehydrosphinganine [ C18 H37 N O2, db=94.66, \
overall=47.33, KEGG ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {251.2249, 11.800002, "Meta"} -> {{116142, 106802, 107001}, {"", ""}}, 
   {534.3375, 11.806134, "Meta"} -> {{110845, 1, 113895}, {"", ""}}, 
   {465.3086, 11.805584, "Meta"} -> {{1984175, 1801233, 1714763}, 
     {"Cholylglycine [ C26 H43 N O6, db=97.59, overall=48.80, KEGG ID=, CAS \
ID=475-31-0 ]", "475-31-0"}}, {429.2878, 11.80568, "Meta"} -> 
    {{47943, 43606, 44012}, {"", ""}}, {529.3823, 11.806334, "Meta"} -> 
    {{104056, 102708, 94394}, {"", ""}}, {518.2228, 11.805154, "Meta"} -> 
    {{58657, 44777, 36108}, {"26,26,26,27,27,27-hexafluoro-1alpha,25-dihydrox\
y-16,17,23,23,24,24-hexadehydrovitamin D3 / 26,26,26, [ C27 H32 F6 O3, \
db=61.57, overall=30.78, Lipid ID=LMST03020078, KEGG ID= ]", ""}}, 
   {585.3523, 11.805889, "Meta"} -> {{45570, 43569, 44426}, {"", ""}}, 
   {521.2284, 11.805668, "Meta"} -> {{53926, 43059, 38043}, {"", ""}}, 
   {414.204, 11.809854, "Meta"} -> {{72236, 58216, 71938}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=78.79, overall=39.40 ]", ""}}, 
   {431.2309, 11.812069, "Meta"} -> {{23799, 1, 1}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=56.36, overall=28.18 ]", ""}}, 
   {218.1664, 11.82626, "Meta"} -> {{1, 16276, 16150}, 
     {"6,8,10,12-pentadecatetraenal [ C15 H22 O, db=57.54, overall=28.77, \
Lipid ID=, KEGG ID= ]", ""}}, {270.1153, 11.829969, "Meta"} -> 
    {{26485, 1, 20808}, {"chloroprocaine [ C13 H19 Cl N2 O2, db=55.52, \
overall=27.76, KEGG ID=, CAS ID= ]", ""}}, {330.1401, 11.829573, "Meta"} -> 
    {{23435, 18089, 19356}, {"Desmethyl methotrimeprazine 5-sulfoxide [ C18 \
H22 N2 O2 S, db=85.40, overall=42.70, KEGG ID=, CAS ID=16808-77-8 ]", 
      "16808-77-8"}}, {172.146, 11.8296385, "Meta"} -> 
    {{42495, 31932, 37138}, {"3-methyl-nonanoic acid [ C10 H20 O2, db=89.90, \
overall=44.95, Lipid ID=, KEGG ID= ]", ""}}, {186.1616, 11.829715, "Meta"} -> 
    {{35072, 1, 31678}, {"Undecylic acid [ C11 H22 O2, db=83.39, \
overall=41.70, KEGG ID=, CAS ID= ]", ""}}, {431.3031, 11.831061, "Meta"} -> 
    {{80481, 70536, 68649}, {"", ""}}, {471.2956, 11.832395, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {308.1988, 11.834726, "Meta"} -> 
    {{32954, 26055, 1}, {"", ""}}, {355.2544, 11.8503895, "Meta"} -> 
    {{224063, 206492, 204056}, {"", ""}}, {346.1188, 11.835636, "Meta"} -> 
    {{26906, 25734, 23286}, {"Nifedipine [ C17 H18 N2 O6, db=50.63, \
overall=25.31, KEGG ID=C07266, CAS ID=21829-25-4 ]", "21829-25-4"}}, 
   {276.1724, 11.846942, "Meta"} -> {{89040, 84956, 77634}, 
     {"cyclandelate [ C17 H24 O3, db=63.51, overall=31.75, KEGG ID=, CAS \
ID=456-59-7 ]", "456-59-7"}}, {369.197, 11.842227, "Meta"} -> 
    {{32177, 35712, 23168}, {"", ""}}, {588.2903, 11.855272, "Meta"} -> 
    {{41552, 21868, 18518}, {"", ""}}, {330.1805, 11.858284, "Meta"} -> 
    {{197289, 174428, 109753}, {"16-Hydroxy-4-oxoretinoic acid [ C20 H26 O4, \
db=78.37, overall=39.19, KEGG ID=, CAS ID=107257-23-8 ]", "107257-23-8"}}, 
   {252.1358, 11.86086, "Meta"} -> {{44430, 37743, 38366}, {"", ""}}, 
   {290.1884, 11.862444, "Meta"} -> {{100090, 132153, 29325}, 
     {"8-hydroxy-17-octadecene-9,11-diynoic acid [ C18 H26 O3, db=62.31, \
overall=31.16, Lipid ID=, KEGG ID= ]", ""}}, {351.2187, 11.864862, "Meta"} -> 
    {{164684, 208564, 126557}, {"", ""}}, {592.3258, 11.793964, "Meta"} -> 
    {{704453, 87308, 602901}, {"", ""}}, {309.2302, 11.861514, "Meta"} -> 
    {{531671, 267437, 235972}, {"", ""}}, {447.2981, 11.879917, "Meta"} -> 
    {{680504, 577181, 571060}, {"", ""}}, {511.3273, 11.884157, "Meta"} -> 
    {{84018, 1, 1}, {"", ""}}, {280.1649, 11.8923235, "Meta"} -> 
    {{49628, 58332, 46779}, {"", ""}}, {705.4871, 11.893938, "Meta"} -> 
    {{108521, 120743, 117131}, {"", ""}}, {291.2176, 11.896868, "Meta"} -> 
    {{293072, 303690, 1}, {"Penbutolol [ C18 H29 N O2, db=57.95, \
overall=28.98, KEGG ID=C07416, CAS ID=38363-40-5 ]", "38363-40-5"}}, 
   {688.4606, 11.89371, "Meta"} -> {{202669, 198574, 196344}, {"", ""}}, 
   {267.2197, 11.913969, "Meta"} -> {{695220, 365037, 671243}, {"", ""}}, 
   {394.2926, 11.915362, "Meta"} -> {{200026, 187592, 192724}, {"", ""}}, 
   {251.2248, 11.917944, "Meta"} -> {{296522, 267423, 249486}, {"", ""}}, 
   {411.3194, 11.915528, "Meta"} -> {{103106, 82907, 97853}, {"", ""}}, 
   {256.219, 11.924389, "Meta"} -> {{66062, 55569, 53323}, {"", ""}}, 
   {610.2709, 11.924807, "Meta"} -> {{1, 21370, 17601}, {"", ""}}, 
   {534.281, 11.92525, "Meta"} -> {{66980, 61689, 57906}, {"", ""}}, 
   {451.3145, 11.934751, "Meta"} -> {{30340, 24630, 27347}, {"", ""}}, 
   {224.1408, 11.931854, "Meta"} -> {{37775, 37342, 1}, 
     {"Methyl jasmonate [ C13 H20 O3, db=49.28, overall=24.64, KEGG \
ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {456.2698, 11.934423, "Meta"} -> {{53829, 1, 49972}, {"", ""}}, 
   {572.3308, 11.924665, "Meta"} -> {{1, 1, 9509}, {"", ""}}, 
   {428.2149, 11.942999, "Meta"} -> {{40397, 21879, 16850}, {"", ""}}, 
   {315.2772, 11.940305, "Meta"} -> {{1758789, 1630678, 1627951}, {"", ""}}, 
   {413.2462, 11.94091, "Meta"} -> {{89862, 56466, 70411}, {"", ""}}, 
   {297.2667, 11.941416, "Meta"} -> {{133381, 117716, 127782}, 
     {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ C18 H35 N O2, db=86.94, \
overall=43.47, KEGG ID=, CAS ID= ]", ""}}, {341.2728, 11.941767, "Meta"} -> 
    {{37457, 1, 20884}, {"", ""}}, {314.0917, 11.9444475, "Meta"} -> 
    {{249118, 1, 195112}, {"", ""}}, {261.1217, 11.955101, "Meta"} -> 
    {{50031, 133052, 56597}, {"", ""}}, {379.2542, 11.973425, "Meta"} -> 
    {{1, 1, 22491}, {"", ""}}, {594.3415, 11.96689, "Meta"} -> 
    {{211602, 196964, 194769}, {"L-Urobilin [ C33 H46 N4 O6, db=74.87, \
overall=37.44, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {255.2196, 11.968827, "Meta"} -> {{52261, 62268, 1}, {"", ""}}, 
   {414.2043, 11.974148, "Meta"} -> {{1, 1, 1}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=62.51, overall=31.26 ]", ""}}, 
   {312.2301, 11.973156, "Meta"} -> {{91230, 1, 19378}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=65.73, \
overall=32.86, Lipid ID=, KEGG ID= ]", ""}}, {328.2254, 11.979709, "Meta"} -> 
    {{58620, 133613, 64300}, {"9,12,13-trihydroxy-10,15-octadecadienoic acid \
[ C18 H32 O5, db=55.40, overall=27.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {196.1461, 11.97807, "Meta"} -> {{46100, 1, 35930}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=60.16, overall=30.08, Lipid ID=, \
KEGG ID= ]", ""}}, {754.4684, 11.973702, "Meta"} -> 
    {{150790, 1, 145416}, {"", ""}}, {749.5135, 11.97703, "Meta"} -> 
    {{126033, 119778, 113429}, {"", ""}}, {324.1915, 11.994925, "Meta"} -> 
    {{1, 1, 22034}, {"12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid \
[ C18 H28 O5, db=57.41, overall=28.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {309.23, 11.97869, "Meta"} -> {{107596, 98606, 1}, {"", ""}}, 
   {301.1142, 11.992531, "Meta"} -> {{54123, 65668, 92554}, {"", ""}}, 
   {331.2543, 12.023166, "Meta"} -> {{189860, 176842, 158697}, {"", ""}}, 
   {455.3454, 12.01464, "Meta"} -> {{160672, 153191, 148053}, {"", ""}}, 
   {438.3189, 12.015082, "Meta"} -> {{255827, 257826, 251208}, {"", ""}}, 
   {358.2328, 12.025667, "Meta"} -> {{166104, 2878131, 942932}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=96.96, overall=48.48 ]", ""}}, 
   {311.152, 12.032904, "Meta"} -> {{39712, 29007, 29817}, {"", ""}}, 
   {353.2775, 12.026425, "Meta"} -> {{155938, 2621699, 808138}, {"", ""}}, 
   {385.3189, 12.040938, "Meta"} -> {{22298, 14549, 1}, {"", ""}}, 
   {397.3187, 12.041324, "Meta"} -> {{55200, 1, 39306}, {"", ""}}, 
   {798.4948, 12.054034, "Meta"} -> {{1, 1, 131055}, {"", ""}}, 
   {793.5397, 12.054131, "Meta"} -> {{107254, 102232, 100354}, {"", ""}}, 
   {590.3062, 12.072692, "Meta"} -> {{25426, 23547, 26317}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=57.10, overall=28.55, HMP \
ID=HMDB04158, KEGG ID= ]", ""}}, {326.0038, 12.075236, "Meta"} -> 
    {{47165, 59065, 380176}, {"", ""}}, {236.1403, 12.083773, "Meta"} -> 
    {{33449, 1, 23195}, {"", ""}}, {252.1866, 12.082345, "Meta"} -> 
    {{47010, 26507, 34650}, {"", ""}}, {586.209, 12.083833, "Meta"} -> 
    {{103610, 154491, 156041}, {"", ""}}, {350.155, 12.082278, "Meta"} -> 
    {{93778, 85408, 81045}, {"", ""}}, {526.1727, 12.085113, "Meta"} -> 
    {{141493, 156241, 140816}, {"", ""}}, {466.1347, 12.082086, "Meta"} -> 
    {{159369, 126535, 117384}, {"", ""}}, {270.1981, 12.084306, "Meta"} -> 
    {{371003, 349190, 270187}, {"", ""}}, {412.1294, 12.085416, "Meta"} -> 
    {{129832, 109764, 112151}, {"", ""}}, {368.1654, 12.082582, "Meta"} -> 
    {{110418, 103590, 102118}, {"Testosterone sulfate [ C19 H28 O5 S, \
db=92.27, overall=46.13, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {498.1664, 12.083362, "Meta"} -> {{49103, 43332, 37907}, {"", ""}}, 
   {616.2339, 12.084806, "Meta"} -> {{73816, 84291, 79478}, {"", ""}}, 
   {243.2196, 12.102666, "Meta"} -> {{75790, 41942, 65334}, 
     {"2-amino-tetradecanoic acid [ C14 H29 N O2, db=84.12, overall=42.06, \
Lipid ID=, KEGG ID= ]", ""}}, {482.3452, 12.104295, "Meta"} -> 
    {{74633, 275636, 261837}, {"", ""}}, {234.1617, 12.111666, "Meta"} -> 
    {{73698, 59752, 53055}, {"", ""}}, {248.1769, 12.122094, "Meta"} -> 
    {{76811, 68978, 76354}, {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, \
db=79.54, overall=39.77, Lipid ID=, KEGG ID= ]", ""}}, 
   {291.2195, 12.120156, "Meta"} -> {{117590, 114064, 67303}, 
     {"Penbutolol [ C18 H29 N O2, db=68.40, overall=34.20, KEGG ID=C07416, \
CAS ID=38363-40-5 ]", "38363-40-5"}}, {837.5658, 12.128968, "Meta"} -> 
    {{88073, 87098, 82457}, {"", ""}}, {342.1837, 12.136654, "Meta"} -> 
    {{1, 17639, 17146}, {"Acitretin Ro 23-4750 [ C21 H26 O4, db=77.85, \
overall=38.93, KEGG ID=, CAS ID=121785-73-7 ]", "121785-73-7"}}, 
   {264.1359, 12.146778, "Meta"} -> {{426873, 400325, 344890}, {"", ""}}, 
   {222.1252, 12.146971, "Meta"} -> {{54938, 73712, 47579}, 
     {"Hydroxyibuprofen [ C13 H18 O3, db=74.22, overall=37.11, KEGG ID=, CAS \
ID=51146-55-5 ]", "51146-55-5"}}, {296.1624, 12.147417, "Meta"} -> 
    {{75487, 64223, 65897}, {"Lactone of PGF-MUM [ C16 H24 O5, db=79.76, \
overall=39.88, KEGG ID=, CAS ID= ]", ""}}, {282.1466, 12.147778, "Meta"} -> 
    {{639660, 591448, 550542}, {"Artemisinin [ C15 H22 O5, db=99.12, \
overall=49.56, KEGG ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {341.2723, 12.151607, "Meta"} -> {{31059, 1, 23738}, {"", ""}}, 
   {380.1164, 12.147638, "Meta"} -> {{28222, 23547, 22901}, 
     {"Cys Gln Met [ C13 H24 N4 O5 S2, db=68.35, overall=34.18 ]", ""}}, 
   {306.1804, 12.177001, "Meta"} -> {{77344, 74211, 52430}, 
     {"Tetranor Iloprost [ C18 H26 O4, db=63.70, overall=31.85, KEGG ID=, CAS \
ID=93220-69-0 ]", "93220-69-0"}}, {402.1937, 12.148144, "Meta"} -> 
    {{41670, 1, 31054}, 
     {"Pro Trp Thr [ C20 H26 N4 O5, db=72.34, overall=36.17 ]", ""}}, 
   {297.2667, 12.156, "Meta"} -> {{81075, 72691, 1}, 
     {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ C18 H35 N O2, db=77.59, \
overall=38.79, KEGG ID=, CAS ID= ]", ""}}, {315.2772, 12.155445, "Meta"} -> 
    {{1334625, 1218719, 1234510}, {"", ""}}, {413.2455, 12.157277, "Meta"} -> 
    {{1, 29232, 46241}, {"", ""}}, {313.2615, 12.160829, "Meta"} -> 
    {{109914, 280833, 88086}, {"", ""}}, {311.1518, 12.180069, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {299.9847, 12.185141, "Meta"} -> 
    {{2085016, 1175261, 1427654}, {"", ""}}, 
   {318.1804, 12.2324295, "Meta"} -> {{47727, 47065, 36988}, 
     {"Ubiquinone (Q2) [ C19 H26 O4, db=42.47, overall=21.23, KEGG ID=, CAS \
ID=606-06-4 ]", "606-06-4"}}, {606.2023, 12.187666, "Meta"} -> 
    {{157908, 146722, 136581}, {"", ""}}, {462.2252, 12.1875, "Meta"} -> 
    {{643940, 644475, 588424}, {"Hydrocortisone succinate [ C25 H34 O8, \
db=96.63, overall=48.31, Lipid ID=LMST02030126, KEGG ID=C12888 ]", ""}}, 
   {525.2572, 12.187778, "Meta"} -> {{368161, 313081, 295470}, {"", ""}}, 
   {568.2631, 12.187808, "Meta"} -> {{73675, 81887, 80220}, {"", ""}}, 
   {621.1704, 12.188378, "Meta"} -> {{56770, 42001, 33998}, {"", ""}}, 
   {530.2126, 12.187939, "Meta"} -> {{807323, 662452, 646626}, 
     {"Trp Tyr Tyr [ C29 H30 N4 O6, db=72.13, overall=36.06 ]", ""}}, 
   {377.2329, 12.190221, "Meta"} -> {{192376, 214028, 178645}, 
     {"Val Leu Phe [ C20 H31 N3 O4, db=88.80, overall=44.40 ]", ""}}, 
   {628.2743, 12.1870985, "Meta"} -> {{33758, 37211, 38123}, {"", ""}}, 
   {420.2121, 12.200396, "Meta"} -> {{25826, 24502, 1}, {"", ""}}, 
   {228.1723, 12.197486, "Meta"} -> {{79459, 86174, 88454}, 
     {"10-keto tridecanoic acid [ C13 H24 O3, db=61.20, overall=30.60, Lipid \
ID=LMFA01060042, KEGG ID= ]", ""}}, {372.191, 12.199401, "Meta"} -> 
    {{68211, 64686, 64308}, {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=56.89, \
overall=28.44, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {357.2698, 12.228862, "Meta"} -> {{322367, 288608, 262435}, {"", ""}}, 
   {199.1932, 12.220861, "Meta"} -> {{369955, 504020, 232748}, 
     {"dodecanamide [ C12 H25 N O, db=98.45, overall=49.22, Lipid ID=, KEGG \
ID= ]", ""}}, {259.2255, 12.222748, "Meta"} -> {{88001, 127428, 64531}, 
     {"", ""}}, {269.235, 12.2237425, "Meta"} -> {{85085, 1, 170992}, 
     {"", ""}}, {719.5028, 12.228621, "Meta"} -> {{85012, 85958, 82371}, 
     {"", ""}}, {664.2384, 12.227905, "Meta"} -> {{49841, 61343, 83963}, 
     {"", ""}}, {248.1768, 12.233333, "Meta"} -> {{21825, 22984, 1}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=72.21, \
overall=36.10, Lipid ID=, KEGG ID= ]", ""}}, {284.1987, 12.237692, "Meta"} -> 
    {{162384, 115621, 160657}, {"", ""}}, {262.1929, 12.242998, "Meta"} -> 
    {{411486, 358739, 324845}, {"5,8-heptadecadiynoic acid [ C17 H26 O2, \
db=98.55, overall=49.28, Lipid ID=, KEGG ID= ]", ""}}, 
   {533.3115, 12.239881, "Meta"} -> {{55308, 25251, 1}, {"", ""}}, 
   {302.1855, 12.243556, "Meta"} -> {{340566, 304423, 296695}, 
     {"2-Methoxyestradiol [ C19 H26 O3, db=76.71, overall=38.36, HMP \
ID=HMDB00405, KEGG ID= ]", ""}}, {436.1856, 12.235857, "Meta"} -> 
    {{1, 27697, 37878}, {"", ""}}, {596.3558, 12.249497, "Meta"} -> 
    {{32263, 30447, 25570}, {"", ""}}, {242.188, 12.252134, "Meta"} -> 
    {{105403, 70408, 66238}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
db=63.43, overall=31.71, Lipid ID=, KEGG ID= ]", ""}}, 
   {614.3666, 12.251577, "Meta"} -> {{74181, 55052, 47010}, {"", ""}}, 
   {512.1788, 12.245139, "Meta"} -> {{34773, 23410, 23883}, 
     {"10S,11R-epoxy-punaglandin 3 [ C25 H33 Cl O9, db=53.22, overall=26.61, \
Lipid ID=LMFA03120039, KEGG ID= ]", ""}}, {376.1882, 12.266801, "Meta"} -> 
    {{122778, 176409, 165263}, 
     {"Arg Val Cys [ C14 H28 N6 O4 S, db=75.82, overall=37.91 ]", ""}}, 
   {580.2321, 12.270332, "Meta"} -> {{184950, 189844, 182347}, {"", ""}}, 
   {630.2687, 12.26936, "Meta"} -> {{102029, 154965, 111240}, {"", ""}}, 
   {612.2583, 12.2699175, "Meta"} -> {{110048, 97444, 112540}, {"", ""}}, 
   {672.2793, 12.270498, "Meta"} -> {{76036, 72115, 80192}, {"", ""}}, 
   {658.2637, 12.2717495, "Meta"} -> {{29462, 33471, 28735}, {"", ""}}, 
   {644.2843, 12.27025, "Meta"} -> {{245495, 244698, 260691}, {"", ""}}, 
   {298.2154, 12.269302, "Meta"} -> {{37613, 59808, 52247}, 
     {"8E-Heptadecenedioic acid [ C17 H30 O4, db=61.18, overall=30.59, Lipid \
ID=, KEGG ID= ]", ""}}, {336.1262, 12.278805, "Meta"} -> 
    {{26462, 23187, 22025}, {"", ""}}, {238.1567, 12.281195, "Meta"} -> 
    {{438606, 364530, 336470}, {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 \
H22 O3, db=97.15, overall=48.57, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {423.3348, 12.288555, "Meta"} -> {{241226, 166119, 102162}, {"", ""}}, 
   {311.2457, 12.286498, "Meta"} -> {{453260, 447423, 394526}, {"", ""}}, 
   {374.2429, 12.298686, "Meta"} -> {{68380, 78725, 1}, 
     {"Digitoxigenin [ C23 H34 O4, db=53.68, overall=26.84, KEGG ID=, CAS \
ID=143-62-4 ]", "143-62-4"}}, {477.1899, 12.302515, "Meta"} -> 
    {{41046, 35955, 45996}, {"3,5-Pyridinedicarboxylic acid, \
2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino] [ C26 \
H27 N3 O6, db=59.31, overall=29.66, KEGG ID=, CAS ID=59875-58-0 ]", 
      "59875-58-0"}}, {768.4842, 12.295834, "Meta"} -> 
    {{125304, 112569, 125283}, {"", ""}}, {369.2874, 12.299877, "Meta"} -> 
    {{1, 1, 46697}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, db=64.19, \
overall=32.09, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {763.5288, 12.296454, "Meta"} -> {{111458, 96511, 92313}, {"", ""}}, 
   {314.1884, 12.299144, "Meta"} -> {{49264, 55682, 86609}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=70.86, overall=35.43, KEGG ID=, \
CAS ID=38030-57-8 ]", "38030-57-8"}}, {271.2523, 12.302779, "Meta"} -> 
    {{121667, 1, 106415}, {"2R-aminohexadecanoic acid [ C16 H33 N O2, \
db=52.07, overall=26.04, Lipid ID=, KEGG ID= ]", ""}}, 
   {625.346, 12.299999, "Meta"} -> {{622495, 601584, 557097}, 
     {"Glycochenodeoxycholic acid 3-glucuronide [ C32 H51 N O11, db=99.35, \
overall=49.68, HMP ID=HMDB02579, KEGG ID= ]", ""}}, 
   {342.1463, 12.310115, "Meta"} -> {{34687, 16474, 31895}, {"", ""}}, 
   {663.2926, 12.299033, "Meta"} -> {{64785, 56105, 59806}, {"", ""}}, 
   {372.2661, 12.3107815, "Meta"} -> {{89551, 62085, 85498}, 
     {"(22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid [ C24 H36 O3, db=66.95, \
overall=33.48, Lipid ID=, KEGG ID= ]", ""}}, {329.2566, 12.319615, "Meta"} -> 
    {{69117, 53669, 51673}, {"", ""}}, {265.2404, 12.332487, "Meta"} -> 
    {{77184, 59315, 58854}, {"", ""}}, {305.2328, 12.322701, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {230.1879, 12.337853, "Meta"} -> 
    {{1, 1, 49159}, {"4-hydroxy-tridecanoic acid [ C13 H26 O3, db=63.86, \
overall=31.93, Lipid ID=, KEGG ID= ]", ""}}, {631.4503, 12.339085, "Meta"} -> 
    {{137895, 1, 1}, {"", ""}}, {312.1359, 12.347117, "Meta"} -> 
    {{24828, 56532, 30349}, {"", ""}}, {388.2607, 12.350721, "Meta"} -> 
    {{44797, 38259, 34155}, {"7,12-Dioxo-5beta-cholan-24-oic Acid [ C24 H36 \
O4, db=77.22, overall=38.61, Lipid ID=, KEGG ID= ]", ""}}, 
   {328.2249, 12.339256, "Meta"} -> {{294124, 261849, 176010}, 
     {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 H32 O5, db=76.40, \
overall=38.20, Lipid ID=, KEGG ID= ]", ""}}, {425.3361, 12.35692, "Meta"} -> 
    {{80217, 96628, 97650}, {"", ""}}, {408.3088, 12.36271, "Meta"} -> 
    {{37180, 129371, 113687}, {"", ""}}, {281.2354, 12.3655615, "Meta"} -> 
    {{210364, 125626, 160298}, {"", ""}}, {360.1656, 12.382274, "Meta"} -> 
    {{26678, 38398, 43605}, 
     {"Leu Asn Asp [ C14 H24 N4 O7, db=77.19, overall=38.60 ]", ""}}, 
   {338.2439, 12.380382, "Meta"} -> {{100641, 71343, 55457}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=74.85, overall=37.42, KEGG ID=, \
CAS ID= ]", ""}}, {436.1472, 12.383839, "Meta"} -> 
    {{30551, 25108, 25852}, {"", ""}}, {376.1198, 12.386286, "Meta"} -> 
    {{38001, 35139, 30800}, 
     {"Asp Asn Glu [ C13 H20 N4 O9, db=55.52, overall=27.76 ]", ""}}, 
   {278.1519, 12.387778, "Meta"} -> {{2492403, 2498033, 2359475}, {"", ""}}, 
   {148.0158, 12.3895, "Meta"} -> {{267516, 254220, 252685}, {"", ""}}, 
   {204.0784, 12.3909445, "Meta"} -> {{172420, 156719, 157071}, {"", ""}}, 
   {396.2873, 12.403235, "Meta"} -> {{161336, 191221, 143662}, 
     {"PGF2alpha isopropyl ester [ C23 H40 O5, db=87.08, overall=43.54, Lipid \
ID=LMFA03010076, KEGG ID= ]", ""}}, {276.17, 12.37928, "Meta"} -> 
    {{21216, 18962, 17351}, {"cyclandelate [ C17 H24 O3, db=51.06, \
overall=25.53, KEGG ID=, CAS ID=456-59-7 ]", "456-59-7"}}, 
   {607.326, 12.407581, "Meta"} -> {{41394, 69209, 63103}, {"", ""}}, 
   {675.4764, 12.4054, "Meta"} -> {{120052, 111148, 95941}, {"", ""}}, 
   {487.2618, 12.410424, "Meta"} -> {{210512, 172711, 170384}, {"", ""}}, 
   {562.256, 12.410714, "Meta"} -> {{80899, 58746, 59677}, 
     {"Protoporphyrin [ C34 H34 N4 O4, db=79.79, overall=39.90, KEGG \
ID=C01079, CAS ID=553-12-8 ]", "553-12-8"}}, {547.2891, 12.410121, "Meta"} -> 
    {{179834, 163979, 161622}, {"", ""}}, {449.3139, 12.410828, "Meta"} -> 
    {{6908566, 5960555, 5801112}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, \
db=99.45, overall=49.73, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {505.2336, 12.410571, "Meta"} -> {{98020, 56330, 65375}, {"", ""}}, 
   {431.3035, 12.411553, "Meta"} -> {{2330985, 2061442, 2018618}, {"", ""}}, 
   {413.2934, 12.41158, "Meta"} -> {{805946, 760614, 714050}, {"", ""}}, 
   {491.3008, 12.412041, "Meta"} -> {{1, 20071, 1}, {"", ""}}, 
   {1312.7719, 12.4140005, "Meta"} -> {{42960, 44776, 49330}, {"", ""}}, 
   {851.5811, 12.417131, "Meta"} -> {{100191, 86487, 100675}, 
     {"C20-OHSulfatide [ C44 H85 N O12 S, db=89.76, overall=44.88, Lipid \
ID=LMSP06020005, KEGG ID= ]", ""}}, {467.301, 12.424151, "Meta"} -> 
    {{266195, 169056, 1}, {"Myristoyl L-a-lysophosphatidylcholine [ C22 H46 N \
O7 P, db=96.32, overall=48.16, KEGG ID=, CAS ID=20559-16-4 ]", 
      "20559-16-4"}}, {469.361, 12.42775, "Meta"} -> 
    {{184891, 172442, 161371}, {"", ""}}, {452.3344, 12.426857, "Meta"} -> 
    {{284549, 319426, 317420}, {"", ""}}, {505.2485, 12.426792, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {863.4587, 12.424135, "Meta"} -> 
    {{29016, 27294, 28427}, {"", ""}}, {614.2372, 12.435374, "Meta"} -> 
    {{55047, 41092, 42171}, {"", ""}}, {324.0821, 12.4366255, "Meta"} -> 
    {{310972, 295838, 138865}, {"", ""}}, {274.2141, 12.443, "Meta"} -> 
    {{81574, 65190, 1}, {"2,15-dihydroxy-pentadecylic acid [ C15 H30 O4, \
db=98.78, overall=49.39, Lipid ID=LMFA01050082, KEGG ID= ]", ""}}, 
   {256.2038, 12.44312, "Meta"} -> {{1, 1, 1}, {"11-keto pentadecanoic acid [ \
C15 H28 O3, db=62.07, overall=31.03, Lipid ID=LMFA01060048, KEGG ID= ]", 
      ""}}, {352.171, 12.430658, "Meta"} -> {{29803, 28180, 37869}, 
     {"", ""}}, {370.1815, 12.436501, "Meta"} -> {{52604, 49913, 38416}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=68.09, \
overall=34.04, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {500.1792, 12.433194, "Meta"} -> {{27564, 24178, 24228}, 
     {"gamma-Hydroxyphenylbutazone glucuronide [ C25 H28 N2 O9, db=72.50, \
overall=36.25, KEGG ID=, CAS ID= ]", ""}}, {588.225, 12.436315, "Meta"} -> 
    {{34447, 53627, 52350}, {"", ""}}, {504.2695, 12.450472, "Meta"} -> 
    {{91708, 80643, 76547}, {"", ""}}, {528.189, 12.4353895, "Meta"} -> 
    {{38175, 44974, 45002}, {"", ""}}, {414.1453, 12.441296, "Meta"} -> 
    {{1, 28900, 1}, {"", ""}}, {270.2135, 12.456722, "Meta"} -> 
    {{773469, 366343, 525156}, {"", ""}}, {292.167, 12.460268, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {719.5026, 12.466721, "Meta"} -> 
    {{92676, 77799, 71322}, {"", ""}}, {399.3347, 12.47114, "Meta"} -> 
    {{128231, 119134, 73614}, {"Palmitoylcarnitine [ C23 H45 N O4, db=99.77, \
overall=49.89, Lipid ID=LMFA07070004, KEGG ID=C02990 ]", ""}}, 
   {182.1666, 12.464886, "Meta"} -> {{28796, 26924, 24425}, 
     {"7E,9Z-dodecadien-1-ol [ C12 H22 O, db=80.52, overall=40.26, Lipid ID=, \
KEGG ID= ]", ""}}, {242.1878, 12.468251, "Meta"} -> 
    {{351862, 312406, 296439}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 \
O3, db=62.18, overall=31.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {895.6074, 12.470839, "Meta"} -> {{129019, 81161, 95932}, {"", ""}}, 
   {496.3607, 12.486807, "Meta"} -> {{205721, 367799, 304532}, {"", ""}}, 
   {513.3873, 12.487667, "Meta"} -> {{301277, 226799, 211274}, {"", ""}}, 
   {384.1933, 12.488749, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {250.1204, 12.488947, "Meta"} -> {{25609, 21960, 24254}, 
     {"Ubiquinone [ C14 H18 O4, db=74.11, overall=37.06, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {409.3186, 12.504228, "Meta"} -> 
    {{631388, 109110, 67301}, {"", ""}}, {374.2808, 12.501667, "Meta"} -> 
    {{224441, 203303, 210045}, {"3beta-Hydroxychol-4-en-24-oic Acid [ C24 H38 \
O3, db=92.13, overall=46.07, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2756, 12.501445, "Meta"} -> {{334669, 325735, 300996}, {"", ""}}, 
   {356.2712, 12.505676, "Meta"} -> {{554528, 459193, 511075}, 
     {"4,8,12,15,19,21-tetracosahexaenoic acid [ C24 H36 O2, db=94.78, \
overall=47.39, Lipid ID=, KEGG ID= ]", ""}}, {546.153, 12.509251, "Meta"} -> 
    {{30935, 26372, 21245}, {"", ""}}, {331.2721, 12.510544, "Meta"} -> 
    {{50939, 30607, 18939}, {"", ""}}, {449.314, 12.51639, "Meta"} -> 
    {{8049023, 7795089, 7353025}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, \
db=99.24, overall=49.62, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {562.2545, 12.516361, "Meta"} -> {{88303, 79508, 70460}, 
     {"Protoporphyrin [ C34 H34 N4 O4, db=70.11, overall=35.05, KEGG \
ID=C01079, CAS ID=553-12-8 ]", "553-12-8"}}, {505.2343, 12.514931, "Meta"} -> 
    {{89540, 78978, 69373}, {"", ""}}, {487.2613, 12.517092, "Meta"} -> 
    {{189642, 170607, 176545}, {"", ""}}, {942.5912, 12.517724, "Meta"} -> 
    {{90881, 96894, 155103}, {"", ""}}, {391.3102, 12.521373, "Meta"} -> 
    {{209102, 188651, 159461}, {"N,N-(2,2-dihydroxy-ethyl) arachidonoyl amine \
[ C24 H41 N O3, db=41.49, overall=20.74, Lipid ID=LMFA08020028, KEGG ID= ]", 
      ""}}, {768.484, 12.522172, "Meta"} -> {{60546, 48660, 55999}, 
     {"", ""}}, {547.2912, 12.518182, "Meta"} -> {{115168, 172358, 188100}, 
     {"", ""}}, {763.5285, 12.522705, "Meta"} -> {{77888, 58124, 55311}, 
     {"", ""}}, {612.2584, 12.528093, "Meta"} -> {{67839, 70344, 38846}, 
     {"", ""}}, {537.3427, 12.543621, "Meta"} -> {{36694, 1, 35584}, 
     {"GPEtn(10:0/11:0)[U] [ C26 H52 N O8 P, db=59.82, overall=29.91, Lipid \
ID=LMGP02010053, KEGG ID= ]", ""}}, {425.2543, 12.535178, "Meta"} -> 
    {{1, 1, 1}, {"GPEtn(14:0/0:0) [ C19 H40 N O7 P, db=66.09, overall=33.05, \
Lipid ID=LMGP02050003, KEGG ID= ]", ""}}, {557.4136, 12.545144, "Meta"} -> 
    {{331262, 282209, 249642}, {"", ""}}, {355.2721, 12.554709, "Meta"} -> 
    {{119360, 145659, 1}, {"", ""}}, {225.2089, 12.554222, "Meta"} -> 
    {{622865, 593261, 541274}, {"", ""}}, {650.3645, 12.549894, "Meta"} -> 
    {{64128, 69413, 39186}, {"Digoxigenin bisdigitoxoside [ C35 H54 O11, \
db=73.18, overall=36.59, KEGG ID=, CAS ID=5297-05-2 ]", "5/2/97"}}, 
   {580.2348, 12.5748005, "Meta"} -> {{65259, 1, 1}, {"", ""}}, 
   {501.3662, 12.573688, "Meta"} -> {{110946, 94859, 87345}, {"", ""}}, 
   {434.2881, 12.585032, "Meta"} -> {{6793567, 1, 1}, 
     {"(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 3-oxide / \
(5Z)-(3S)-1alpha,25-dihydroxy-3-deo [ C26 H42 O3 S, db=73.08, overall=36.54, \
Lipid ID=LMST03020052, KEGG ID= ]", ""}}, {467.3008, 12.5836935, "Meta"} -> 
    {{1949998, 1235144, 429020}, {"Myristoyl L-a-lysophosphatidylcholine [ \
C22 H46 N O7 P, db=97.87, overall=48.94, KEGG ID=, CAS ID=20559-16-4 ]", 
      "20559-16-4"}}, {505.2486, 12.583806, "Meta"} -> 
    {{117865, 68110, 26247}, {"", ""}}, {565.2755, 12.582859, "Meta"} -> 
    {{88962, 51968, 12377}, {" [ C32 H39 N O8, overall=43.39, mfg=86.78 ]", 
      ""}}, {451.3146, 12.585577, "Meta"} -> {{4262784, 1, 1}, {"", ""}}, 
   {279.2563, 12.585971, "Meta"} -> {{1113223, 1338138, 1278867}, {"", ""}}, 
   {319.2485, 12.586908, "Meta"} -> {{1, 991336, 931284}, 
     {"N-hydroxy arachidonoyl amine [ C20 H33 N O2, db=80.38, overall=40.19, \
Lipid ID=LMFA08020029, KEGG ID= ]", ""}}, {625.3125, 12.582887, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {499.2697, 12.597638, "Meta"} -> 
    {{56436, 44389, 20555}, {"", ""}}, {584.4132, 12.599159, "Meta"} -> 
    {{356073, 1, 1}, {"", ""}}, {601.4399, 12.599721, "Meta"} -> 
    {{315429, 281971, 268536}, {"", ""}}, {246.2193, 12.616779, "Meta"} -> 
    {{85520, 88794, 91626}, {"", ""}}, {367.4175, 12.6358, "Meta"} -> 
    {{17922, 14841, 20525}, {"", ""}}, {579.2638, 12.629876, "Meta"} -> 
    {{57771, 34248, 14681}, {"", ""}}, {541.3169, 12.629602, "Meta"} -> 
    {{465467, 1, 1}, {"", ""}}, {639.2913, 12.632768, "Meta"} -> 
    {{1, 1, 1}, {" [ C33 H41 N3 O10, db=0.00, overall=27.22, mfg=54.45 ]", 
      ""}}, {425.3506, 12.640696, "Meta"} -> {{253713, 249237, 142195}, 
     {"", ""}}, {185.1413, 12.638656, "Meta"} -> {{119257, 1, 98799}, 
     {"N-methyl-Gabapentin [ C10 H19 N O2, db=81.22, overall=40.61, KEGG ID=, \
CAS ID=102937-74-6 ]", "102937-74-6"}}, {285.2666, 12.643584, "Meta"} -> 
    {{1, 16687, 1}, {"C17 Sphingosine [ C17 H35 N O2, db=57.52, \
overall=28.76, Lipid ID=LMSP01040002, KEGG ID= ]", ""}}, 
   {327.277, 12.625759, "Meta"} -> {{116957, 97954, 102023}, {"", ""}}, 
   {821.5705, 12.638498, "Meta"} -> {{82584, 71968, 69760}, {"", ""}}, 
   {268.24, 12.642863, "Meta"} -> {{89697, 137833, 46203}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=79.16, overall=39.58, Lipid \
ID=LMFA01030060, KEGG ID= ]", ""}}, {545.3922, 12.643999, "Meta"} -> 
    {{88217, 78435, 74392}, {"", ""}}, {302.1891, 12.6535015, "Meta"} -> 
    {{1, 1, 1}, {"2-Methoxyestradiol [ C19 H26 O3, db=65.37, overall=32.69, \
HMP ID=HMDB00405, KEGG ID= ]", ""}}, {650.4213, 12.651346, "Meta"} -> 
    {{270585, 268662, 261621}, {"", ""}}, {645.466, 12.651555, "Meta"} -> 
    {{289179, 265286, 257537}, {"", ""}}, {335.2434, 12.66379, "Meta"} -> 
    {{701508, 662835, 681984}, {"", ""}}, {256.2034, 12.661515, "Meta"} -> 
    {{79454, 88301, 85316}, {"11-keto pentadecanoic acid [ C15 H28 O3, \
db=61.28, overall=30.64, Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, 
   {493.3169, 12.66411, "Meta"} -> {{624289, 409099, 136702}, {"", ""}}, 
   {531.2641, 12.663871, "Meta"} -> {{53346, 30509, 1}, {"", ""}}, 
   {590.3068, 12.671346, "Meta"} -> {{40667, 42410, 38806}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=52.07, overall=26.03, HMP \
ID=HMDB04158, KEGG ID= ]", ""}}, {396.1935, 12.680503, "Meta"} -> 
    {{47613, 62335, 66548}, {"Pregnenolone sulfate [ C21 H32 O5 S, db=36.59, \
overall=18.29, HMP ID=HMDB00774, KEGG ID= ]", ""}}, 
   {632.5102, 12.680666, "Meta"} -> {{86060, 81972, 82015}, {"", ""}}, 
   {865.5968, 12.684233, "Meta"} -> {{91584, 70815, 76878}, {"", ""}}, 
   {395.2349, 12.689027, "Meta"} -> {{101752, 107584, 92531}, {"", ""}}, 
   {379.2488, 12.687057, "Meta"} -> {{807014, 734976, 694746}, 
     {"Sphingosine-1-phosphate [ C18 H38 N O5 P, db=99.36, overall=49.68, \
KEGG ID=, CAS ID=26993-30-6 ]", "26993-30-6"}}, 
   {319.2487, 12.687944, "Meta"} -> {{3288010, 2399896, 2322154}, 
     {"N-hydroxy arachidonoyl amine [ C20 H33 N O2, db=82.57, overall=41.29, \
Lipid ID=LMFA08020029, KEGG ID= ]", ""}}, {279.2564, 12.689749, "Meta"} -> 
    {{4192746, 3646295, 3499922}, {"", ""}}, {342.3243, 12.690058, "Meta"} -> 
    {{133163, 101470, 95967}, {"", ""}}, {352.236, 12.696232, "Meta"} -> 
    {{197431, 199381, 157131}, {"", ""}}, {180.0781, 12.695332, "Meta"} -> 
    {{76224, 67808, 66394}, {"o-Methoxyhydrocinnamic acid [ C10 H12 O3, \
db=82.64, overall=41.32, KEGG ID=, CAS ID= ]", ""}}, 
   {314.1855, 12.695227, "Meta"} -> {{495159, 429866, 1}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=73.03, overall=36.52, KEGG ID=, \
CAS ID=38030-57-8 ]", "38030-57-8"}}, {309.2304, 12.69561, "Meta"} -> 
    {{812081, 713459, 612602}, {"", ""}}, {475.2699, 12.694333, "Meta"} -> 
    {{142667, 104074, 1}, {"", ""}}, {236.1406, 12.695944, "Meta"} -> 
    {{58205, 46187, 42209}, {"", ""}}, {689.4924, 12.699888, "Meta"} -> 
    {{256339, 235765, 229213}, {"", ""}}, {672.4659, 12.699749, "Meta"} -> 
    {{299804, 289505, 275052}, {"", ""}}, {609.351, 12.6962595, "Meta"} -> 
    {{73023, 70660, 69597}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl [ C32 H51 N O10, \
db=94.76, overall=47.38, HMP ID=HMDB02474, KEGG ID= ]", ""}}, 
   {382.2147, 12.704666, "Meta"} -> {{1, 14928, 1}, 
     {"3,12-Dioxochola-1,4,9(11)-trien-24-oic Acid [ C24 H30 O4, db=73.34, \
overall=36.67, Lipid ID=, KEGG ID= ]", ""}}, {589.4187, 12.706942, "Meta"} -> 
    {{58464, 64864, 60699}, {"", ""}}, {307.2718, 12.7117195, "Meta"} -> 
    {{32113, 1, 18996}, {"", ""}}, {270.2192, 12.709618, "Meta"} -> 
    {{85834, 91450, 1}, {"3-keto palmitic acid [ C16 H30 O3, db=85.03, \
overall=42.52, Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, 
   {537.217, 12.694345, "Meta"} -> {{1, 12388, 1}, {"", ""}}, 
   {499.2698, 12.711946, "Meta"} -> {{221340, 185868, 92006}, {"", ""}}, 
   {300.2299, 12.716436, "Meta"} -> {{100771, 1, 83428}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=79.78, overall=39.89, \
Lipid ID=, KEGG ID= ]", ""}}, {630.4941, 12.715778, "Meta"} -> 
    {{52607, 49059, 48368}, {"", ""}}, {252.2085, 12.716553, "Meta"} -> 
    {{27429, 41679, 1}, {"2E,4E-hexadecadienoic acid [ C16 H28 O2, db=73.15, \
overall=36.57, Lipid ID=, KEGG ID= ]", ""}}, {914.5783, 12.727905, "Meta"} -> 
    {{90817, 102675, 77161}, {"", ""}}, {280.2014, 12.73493, "Meta"} -> 
    {{59655, 62207, 1}, 
     {"12S-HHTrE [ C17 H28 O3, db=42.31, overall=21.16, KEGG ID=, CAS ID= ]", 
      ""}}, {329.2928, 12.71444, "Meta"} -> {{1036861, 948207, 940711}, 
     {"", ""}}, {355.2179, 12.744277, "Meta"} -> {{82373, 90339, 84211}, 
     {"p-Hydroxypropoxyphene [ C22 H29 N O3, db=63.66, overall=31.83, KEGG \
ID=, CAS ID=43117-32-4 ]", "43117-32-4"}}, {240.2085, 12.740068, "Meta"} -> 
    {{66566, 56453, 1}, {"2-pentadecenoic acid [ C15 H28 O2, db=72.07, \
overall=36.04, Lipid ID=, KEGG ID= ]", ""}}, {573.2378, 12.738915, "Meta"} -> 
    {{15011, 1, 1}, {"", ""}}, {874.5164, 12.745845, "Meta"} -> 
    {{70286, 27981, 1}, {"Ivermectin B1a [ C48 H74 O14, db=21.59, \
overall=10.80, KEGG ID=C07970, CAS ID=71827-03-7 ]", "71827-03-7"}}, 
   {615.29, 12.742728, "Meta"} -> {{51974, 44779, 1}, {"", ""}}, 
   {393.2191, 12.747176, "Meta"} -> {{164992, 111802, 142025}, {"", ""}}, 
   {733.5184, 12.745, "Meta"} -> {{208619, 180242, 189113}, {"", ""}}, 
   {716.4917, 12.745065, "Meta"} -> {{221546, 243970, 1}, {"", ""}}, 
   {517.3169, 12.746193, "Meta"} -> {{2579067, 1721652, 606582}, 
     {"Linolenoyl lysolecithin [ C26 H48 N O7 P, db=99.00, overall=49.50, \
KEGG ID=, CAS ID=63163-01-9 ]", "63163-01-9"}}, 
   {555.2641, 12.744076, "Meta"} -> {{178189, 142112, 1}, 
     {"Leucine Enkephalin [ C28 H37 N5 O7, db=46.08, overall=23.04, KEGG ID=, \
CAS ID=81678-16-2 ]", "81678-16-2"}}, {1096.581, 12.747542, "Meta"} -> 
    {{75188, 33542, 1}, {"", ""}}, {1058.6335, 12.748626, "Meta"} -> 
    {{38197, 1, 1}, {"", ""}}, {451.2698, 12.751194, "Meta"} -> 
    {{181737, 150824, 111533}, {"", ""}}, {1104.6042, 12.750401, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {594.238, 12.752146, "Meta"} -> 
    {{45129, 19238, 1}, {"", ""}}, {1661.8961, 12.749751, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {295.2514, 12.752306, "Meta"} -> 
    {{1.25*^7, 1.19*^7, 1.03*^7}, {"", ""}}, {646.5257, 12.745705, "Meta"} -> 
    {{42992, 40188, 37562}, {"", ""}}, {654.2522, 12.751028, "Meta"} -> 
    {{89013, 38913, 1}, {"", ""}}, {541.3161, 12.752888, "Meta"} -> 
    {{5895380, 3075021, 1210361}, {"", ""}}, {597.2377, 12.750058, "Meta"} -> 
    {{78961, 40800, 1}, {"", ""}}, {579.2647, 12.7531395, "Meta"} -> 
    {{424294, 267191, 110242}, 
     {" [ C32 H39 N2 O8, db=0.00, overall=32.44, mfg=64.87 ]", ""}}, 
   {710.2763, 12.752368, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {639.2909, 12.752972, "Meta"} -> {{112182, 95322, 35937}, 
     {" [ C33 H41 N3 O10, db=0.00, overall=34.40, mfg=68.80 ]", ""}}, 
   {563.2865, 12.751833, "Meta"} -> {{33588, 22322, 1}, {"", ""}}, 
   {278.2243, 12.768029, "Meta"} -> {{243404, 227995, 218562}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=76.66, overall=38.33, Lipid \
ID=LMFA01030148, KEGG ID= ]", ""}}, {958.6044, 12.764857, "Meta"} -> 
    {{116377, 93862, 90506}, {"", ""}}, {1613.8976, 12.766002, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {358.1711, 12.782434, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {298.1468, 12.782714, "Meta"} -> 
    {{35389, 32659, 45065}, {"", ""}}, {345.1374, 12.7813015, "Meta"} -> 
    {{17924, 16837, 1}, {"", ""}}, {200.1773, 12.781779, "Meta"} -> 
    {{44133, 44041, 73800}, {"Lauric acid [ C12 H24 O2, db=93.72, \
overall=46.86, KEGG ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, 
   {214.1929, 12.781723, "Meta"} -> {{45636, 43777, 51472}, 
     {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, db=85.75, overall=42.87, \
KEGG ID=, CAS ID= ]", ""}}, {254.224, 12.784, "Meta"} -> 
    {{165578, 137854, 230145}, {"7-palmitoleic acid [ C16 H30 O2, db=89.68, \
overall=44.84, Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, 
   {1072.5817, 12.78529, "Meta"} -> {{96178, 49936, 1}, {"", ""}}, 
   {777.5449, 12.788111, "Meta"} -> {{151204, 139649, 102525}, {"", ""}}, 
   {294.2171, 12.80724, "Meta"} -> {{204095, 224343, 211167}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=65.45, overall=32.73, \
Lipid ID=, KEGG ID= ]", ""}}, {986.6337, 12.798241, "Meta"} -> 
    {{23489, 1, 1}, {"", ""}}, {483.3767, 12.801028, "Meta"} -> 
    {{113907, 97170, 112785}, {"", ""}}, {466.3504, 12.800827, "Meta"} -> 
    {{205890, 41887, 41999}, {"", ""}}, {515.2983, 12.801221, "Meta"} -> 
    {{1033405, 571207, 197201}, {"", ""}}, {272.1993, 12.802755, "Meta"} -> 
    {{688044, 227729, 182041}, {"3-methyl-tetradecanedioic acid [ C15 H28 O4, \
db=87.86, overall=43.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {1002.6305, 12.8012295, "Meta"} -> {{110826, 146768, 133053}, {"", ""}}, 
   {1024.5826, 12.804735, "Meta"} -> {{104914, 1, 1}, {"", ""}}, 
   {591.2919, 12.809055, "Meta"} -> {{161695, 124147, 56058}, 
     {" [ C34 H41 N O8, db=0.00, overall=41.36, mfg=82.72 ]", ""}}, 
   {606.2508, 12.808973, "Meta"} -> {{80817, 53541, 1}, {"", ""}}, 
   {493.3159, 12.811169, "Meta"} -> {{6113258, 3818912, 1497485}, {"", ""}}, 
   {531.2643, 12.810324, "Meta"} -> {{409810, 265298, 117678}, {"", ""}}, 
   {549.2373, 12.808871, "Meta"} -> {{60801, 31252, 1}, {"", ""}}, 
   {454.3057, 12.813647, "Meta"} -> {{58581, 67919, 54360}, 
     {"26,26,26-trifluoro-25-hydroxyvitamin D3 / \
26,26,26-trifluoro-25-hydroxycholecalciferol [ C27 H41 F3 O2, db=85.90, \
overall=42.95, Lipid ID=LMST03020131, KEGG ID= ]", ""}}, 
   {414.3129, 12.812971, "Meta"} -> {{87528, 73195, 69475}, 
     {"1alpha,25-dihydroxy-9,11-didehydrovitamin D_3 / \
1alpha,25-dihydroxy-9,11-didehydrocholecalciferol [ C27 H42 O3, db=82.66, \
overall=41.33, Lipid ID=LMST03020170, KEGG ID= ]", ""}}, 
   {596.2634, 12.8228445, "Meta"} -> {{58699, 65383, 44462}, {"", ""}}, 
   {437.2892, 12.8172, "Meta"} -> {{43744, 50186, 62173}, {"", ""}}, 
   {682.4242, 12.824768, "Meta"} -> {{37767, 35330, 37655}, {"", ""}}, 
   {398.2432, 12.822418, "Meta"} -> {{49946, 96315, 94557}, {"", ""}}, 
   {677.4712, 12.822635, "Meta"} -> {{1, 34250, 1}, {"", ""}}, 
   {256.2036, 12.822162, "Meta"} -> {{88034, 15869, 80432}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=61.54, overall=30.77, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {826.5262, 12.818275, "Meta"} -> 
    {{134793, 1, 101840}, {"", ""}}, {280.2011, 12.8328, "Meta"} -> 
    {{24963, 1, 1}, 
     {"12S-HHTrE [ C17 H28 O3, db=40.55, overall=20.28, KEGG ID=, CAS ID= ]", 
      ""}}, {821.5706, 12.8296385, "Meta"} -> {{121767, 113578, 115680}, 
     {"", ""}}, {240.2083, 12.832307, "Meta"} -> 
    {{1, 19867, 1}, {"2-pentadecenoic acid [ C15 H28 O2, db=72.97, \
overall=36.49, Lipid ID=, KEGG ID= ]", ""}}, {527.403, 12.835585, "Meta"} -> 
    {{210594, 213506, 192852}, {"", ""}}, {510.3765, 12.837113, "Meta"} -> 
    {{363345, 315354, 320363}, {"", ""}}, {901.4447, 12.842889, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {338.2438, 12.854486, "Meta"} -> 
    {{64094, 39497, 53565}, {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=56.30, \
overall=28.15, KEGG ID=, CAS ID= ]", ""}}, {885.4796, 12.842206, "Meta"} -> 
    {{59668, 28801, 1}, {"", ""}}, {588.2239, 12.856218, "Meta"} -> 
    {{29442, 45722, 52063}, {"", ""}}, {414.1448, 12.856258, "Meta"} -> 
    {{43841, 48197, 60995}, {"", ""}}, {472.187, 12.863851, "Meta"} -> 
    {{24484, 30773, 41433}, 
     {"Trp His Met [ C22 H28 N6 O4 S, db=36.23, overall=18.12 ]", ""}}, 
   {865.5967, 12.867527, "Meta"} -> {{90512, 81164, 77031}, {"", ""}}, 
   {870.5522, 12.86621, "Meta"} -> {{83445, 80461, 72644}, {"", ""}}, 
   {515.2333, 12.872112, "Meta"} -> {{47470, 35634, 23464}, {"", ""}}, 
   {384.1824, 12.871333, "Meta"} -> {{45652, 58633, 53053}, {"", ""}}, 
   {554.4028, 12.871445, "Meta"} -> {{468217, 465207, 444227}, {"", ""}}, 
   {500.1787, 12.860778, "Meta"} -> {{55104, 51586, 54009}, 
     {"gamma-Hydroxyphenylbutazone glucuronide [ C25 H28 N2 O9, db=78.83, \
overall=39.41, KEGG ID=, CAS ID= ]", ""}}, {444.2075, 12.872678, "Meta"} -> 
    {{45251, 65027, 57386}, {"", ""}}, {477.2857, 12.872913, "Meta"} -> 
    {{554146, 525566, 227224}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=70.03, overall=35.02 ]", ""}}, 
   {560.2004, 12.861138, "Meta"} -> {{34403, 30945, 30532}, {"", ""}}, 
   {571.4295, 12.871741, "Meta"} -> {{290371, 285722, 280662}, {"", ""}}, 
   {370.1814, 12.859806, "Meta"} -> {{133712, 144596, 146757}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=96.30, \
overall=48.15, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {468.1503, 12.861229, "Meta"} -> {{26781, 25360, 24463}, {"", ""}}, 
   {352.1708, 12.858888, "Meta"} -> {{41454, 40995, 46134}, {"", ""}}, 
   {286.2145, 12.873165, "Meta"} -> {{2161254, 3154707, 2861209}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=98.68, overall=49.34, HMP \
ID=HMDB00672, KEGG ID= ]", ""}}, {198.1615, 12.874167, "Meta"} -> 
    {{659072, 944320, 820371}, {"9-lauroleic acid [ C12 H22 O2, db=98.26, \
overall=49.13, Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, 
   {346.2464, 12.87547, "Meta"} -> {{110889, 1, 181086}, {"", ""}}, 
   {303.2406, 12.874667, "Meta"} -> {{733152, 899520, 792736}, {"", ""}}, 
   {110.1092, 12.874167, "Meta"} -> {{209955, 299714, 254881}, {"", ""}}, 
   {331.272, 12.874617, "Meta"} -> {{169595, 131309, 97735}, {"", ""}}, 
   {312.23, 12.861374, "Meta"} -> {{83534, 79624, 1}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=73.37, \
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    {{63432, 80685, 56791}, {"1alpha,23-dihydroxy-24,25,26,27-tetranorvitamin \
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    {{190570, 185407, 189794}, {"", ""}}, {396.2874, 13.171314, "Meta"} -> 
    {{158103, 162813, 177744}, {"PGF2alpha isopropyl ester [ C23 H40 O5, \
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   {479.337, 13.16625, "Meta"} -> {{68821, 58480, 1}, {"", ""}}, 
   {413.3138, 13.174972, "Meta"} -> {{80683, 92251, 1}, {"", ""}}, 
   {566.2211, 13.179689, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {491.2329, 13.180776, "Meta"} -> {{61566, 58923, 33885}, 
     {"Trp Met Arg [ C22 H33 N7 O4 S, db=87.08, overall=43.54 ]", ""}}, 
   {453.2857, 13.181751, "Meta"} -> {{1145860, 1033686, 684777}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=99.55, overall=49.78, Lipid \
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    {{28774, 1, 1}, {"", ""}}, {629.4713, 13.1857195, "Meta"} -> 
    {{322706, 305788, 313335}, {"", ""}}, {612.4449, 13.182668, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {465.3219, 13.180713, "Meta"} -> 
    {{54913, 41638, 52051}, {"", ""}}, {583.3639, 13.184667, "Meta"} -> 
    {{1, 55931, 1}, {"", ""}}, {527.3017, 13.189112, "Meta"} -> 
    {{1, 1, 132205}, {"", ""}}, {986.5672, 13.191906, "Meta"} -> 
    {{35868, 35951, 1}, {"", ""}}, {948.6178, 13.197943, "Meta"} -> 
    {{97381, 98564, 1}, {"", ""}}, {656.4712, 13.201724, "Meta"} -> 
    {{546768, 551972, 551332}, {"", ""}}, {673.4978, 13.204778, "Meta"} -> 
    {{437521, 416383, 426850}, {"", ""}}, {1481.8986, 13.193931, "Meta"} -> 
    {{1, 20958, 1}, {"", ""}}, {1052.6062, 13.280134, "Meta"} -> 
    {{269443, 241679, 139260}, {"", ""}}, {1977.24, 13.196, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {974.6362, 13.249577, "Meta"} -> 
    {{70859, 58263, 17565}, {"", ""}}, {1104.696, 13.221923, "Meta"} -> 
    {{40495, 65562, 33375}, {"", ""}}, {2472.564, 13.195778, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {700.4977, 13.235683, "Meta"} -> 
    {{636574, 613534, 651181}, {"1,2-dioleoyl-sn-Glycero-3-Phosphate [ C39 \
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   {503.3012, 13.232915, "Meta"} -> {{152931, 121861, 124062}, {"", ""}}, 
   {717.5241, 13.237333, "Meta"} -> {{516797, 503700, 529761}, 
     {"GPEtn(18:0/18:1(11Z)) [ C39 H76 N O8 P, db=62.66, overall=31.33, Lipid \
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    {{155856, 130068, 36411}, {"", ""}}, {462.2955, 13.254001, "Meta"} -> 
    {{118185, 121186, 136775}, {"", ""}}, {2003.3011, 13.2253895, "Meta"} -> 
    {{641114, 504949, 89945}, {"", ""}}, {2993.9556, 13.221577, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {2034.2473, 13.227414, "Meta"} -> 
    {{408898, 330207, 58585}, {"", ""}}, {517.302, 13.225831, "Meta"} -> 
    {{56289, 56659, 33477}, {"", ""}}, {2019.2783, 13.228057, "Meta"} -> 
    {{706463, 851581, 230595}, {"", ""}}, {1099.6038, 13.232703, "Meta"} -> 
    {{31612, 25223, 1}, {"", ""}}, {1028.6134, 13.241438, "Meta"} -> 
    {{1650589, 1730336, 821208}, {"", ""}}, {2514.61, 13.227503, "Meta"} -> 
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    {{1, 135274, 1}, {"", ""}}, {1523.9456, 13.230223, "Meta"} -> 
    {{785861, 780898, 246443}, {"", ""}}, {3009.9429, 13.227229, "Meta"} -> 
    {{171244, 228164, 1}, {"", ""}}, {1508.4799, 13.223558, "Meta"} -> 
    {{67339, 86966, 1}, {"", ""}}, {1507.9799, 13.227895, "Meta"} -> 
    {{684667, 1140538, 106608}, {"", ""}}, {537.2731, 13.229601, "Meta"} -> 
    {{41023, 43636, 16729}, {"", ""}}, {458.2412, 13.234296, "Meta"} -> 
    {{46653, 40387, 20687}, 
     {"His Phe Arg [ C21 H30 N8 O4, db=67.47, overall=33.73 ]", ""}}, 
   {2037.2556, 13.228621, "Meta"} -> {{403826, 422915, 39792}, {"", ""}}, 
   {1043.581, 13.234543, "Meta"} -> {{425733, 399647, 148602}, {"", ""}}, 
   {611.2766, 13.222031, "Meta"} -> {{301000, 175610, 79090}, 
     {" [ C33 H41 N O10, db=0.00, overall=26.98, mfg=53.95 ]", ""}}, 
   {1485.998, 13.230372, "Meta"} -> {{200596, 246805, 1}, {"", ""}}, 
   {990.6677, 13.217499, "Meta"} -> {{1, 1.51*^7, 2186811}, {"", ""}}, 
   {551.2526, 13.259735, "Meta"} -> {{205930, 233443, 123968}, {"", ""}}, 
   {593.3056, 13.245584, "Meta"} -> {{686794, 769431, 594113}, {"", ""}}, 
   {608.2666, 13.235713, "Meta"} -> {{386907, 336448, 175913}, 
     {"Harderoporphyrin [ C35 H36 N4 O6, db=75.75, overall=37.88, HMP \
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    {{40784, 33504, 1}, {"", ""}}, {664.2918, 13.251393, "Meta"} -> 
    {{131669, 147329, 82664}, {"", ""}}, {617.268, 13.263249, "Meta"} -> 
    {{124243, 127789, 123613}, {"", ""}}, {577.3247, 13.24794, "Meta"} -> 
    {{223109, 232920, 159355}, {"dihydro-alpha-ergocryptine [ C32 H43 N5 O5, \
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   {495.334, 13.239806, "Meta"} -> {{9.22*^7, 7.02*^7, 2.96*^7}, {"", ""}}, 
   {533.2802, 13.268294, "Meta"} -> {{2008402, 2071020, 1070856}, {"", ""}}, 
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   {1064.682, 13.263082, "Meta"} -> {{1290957, 1041723, 305687}, {"", ""}}, 
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   {744.5235, 13.261028, "Meta"} -> {{675318, 622291, 684325}, {"", ""}}, 
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   {1603.9698, 13.194346, "Meta"} -> {{42894, 1, 30776}, {"", ""}}, 
   {2570.6394, 13.279125, "Meta"} -> {{138711, 1, 1}, {"", ""}}, 
   {2564.6238, 13.272265, "Meta"} -> {{220113, 1, 1}, {"", ""}}, 
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   {1549.9583, 13.273215, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {253.2404, 13.272541, "Meta"} -> {{1267457, 1592717, 2831973}, {"", ""}}, 
   {1054.6241, 13.305807, "Meta"} -> {{173355, 130130, 1}, {"", ""}}, 
   {2614.6387, 13.283346, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1573.9609, 13.280412, "Meta"} -> {{296835, 262037, 1}, {"", ""}}, 
   {810.532, 13.281161, "Meta"} -> {{1, 1, 548980}, 
     {"GPIns(16:0/16:0) [ C41 H79 O13 P, db=64.98, overall=32.49, Lipid \
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    {{144195, 1, 1}, {"", ""}}, {805.5764, 13.280774, "Meta"} -> 
    {{507688, 491930, 516677}, {"GPSer(18:0/19:0)[U] [ C43 H84 N O10 P, \
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   {1136.6779, 13.288575, "Meta"} -> {{68298, 1, 1}, {"", ""}}, 
   {1040.6799, 13.284514, "Meta"} -> {{2974790, 3541999, 455679}, {"", ""}}, 
   {1579.9836, 13.29087, "Meta"} -> {{132368, 140514, 1}, {"", ""}}, 
   {1062.664, 13.296707, "Meta"} -> {{781345, 1, 136045}, {"", ""}}, 
   {2119.3076, 13.245101, "Meta"} -> {{1, 179074, 36511}, {"", ""}}, 
   {1599.9738, 13.3018055, "Meta"} -> {{90786, 94794, 1}, {"", ""}}, 
   {1063.1641, 13.296844, "Meta"} -> {{66829, 50510, 1}, {"", ""}}, 
   {1066.6967, 13.293614, "Meta"} -> {{1, 672270, 1}, {"", ""}}, 
   {2134.2778, 13.297467, "Meta"} -> {{79292, 62982, 1}, {"", ""}}, 
   {467.3375, 13.291593, "Meta"} -> {{64301, 84799, 107901}, {"", ""}}, 
   {1096.6024, 13.296208, "Meta"} -> {{126837, 1, 1}, {"", ""}}, 
   {1093.5978, 13.300689, "Meta"} -> {{163209, 1, 1}, {"", ""}}, 
   {501.3666, 13.296033, "Meta"} -> {{135593, 131910, 1}, {"", ""}}, 
   {1092.1475, 13.2980795, "Meta"} -> {{53059, 44892, 1}, {"", ""}}, 
   {1078.6298, 13.294057, "Meta"} -> {{575427, 512000, 264699}, {"", ""}}, 
   {1623.9762, 13.299394, "Meta"} -> {{265113, 131676, 42862}, {"", ""}}, 
   {1629.9934, 13.309808, "Meta"} -> {{112494, 81750, 26574}, {"", ""}}, 
   {849.6027, 13.300112, "Meta"} -> {{504786, 488015, 515350}, {"", ""}}, 
   {1112.6788, 13.280607, "Meta"} -> {{32386, 18656, 84092}, {"", ""}}, 
   {545.3477, 13.301525, "Meta"} -> {{1.76*^7, 1.78*^7, 7573867}, {"", ""}}, 
   {832.5762, 13.303964, "Meta"} -> {{117600, 547598, 154000}, {"", ""}}, 
   {583.2962, 13.30914, "Meta"} -> {{878788, 795383, 399421}, {"", ""}}, 
   {714.3076, 13.313554, "Meta"} -> {{53234, 38216, 19528}, {"", ""}}, 
   {658.283, 13.309391, "Meta"} -> {{112849, 66431, 49620}, {"", ""}}, 
   {598.2697, 13.309324, "Meta"} -> {{73500, 1, 35407}, {"", ""}}, 
   {601.2686, 13.309152, "Meta"} -> {{135983, 86820, 56048}, {"", ""}}, 
   {567.3305, 13.308373, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {876.6023, 13.319311, "Meta"} -> {{48234, 294967, 1}, {"", ""}}, 
   {893.629, 13.319388, "Meta"} -> {{482529, 457434, 434555}, {"", ""}}, 
   {643.3197, 13.312749, "Meta"} -> {{142989, 190334, 131932}, {"", ""}}, 
   {241.2403, 13.322444, "Meta"} -> {{522067, 533880, 553611}, {"", ""}}, 
   {910.6564, 13.324881, "Meta"} -> {{31979, 39248, 37775}, {"", ""}}, 
   {1024.6501, 13.330481, "Meta"} -> {{1, 138499, 1}, {"", ""}}, 
   {282.2558, 13.331113, "Meta"} -> {{109747, 149179, 189241}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=84.52, overall=42.26, Lipid \
ID=LMFA01030065, KEGG ID= ]", ""}}, {423.4804, 13.34125, "Meta"} -> 
    {{19323, 17393, 17077}, {"", ""}}, {937.6549, 13.335834, "Meta"} -> 
    {{415224, 387752, 344843}, {"", ""}}, {298.2507, 13.336177, "Meta"} -> 
    {{283507, 1, 404586}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, \
db=80.93, overall=40.46, Lipid ID=, KEGG ID= ]", ""}}, 
   {328.2012, 13.335937, "Meta"} -> {{107236, 111891, 137748}, 
     {"16beta-Hydroxynorgestrel [ C21 H28 O3, db=66.86, overall=33.43, KEGG \
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    {{47552, 44648, 50998}, {"Gestodene metabolite 2 [ C21 H30 O3, db=61.17, \
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    {{1781130, 1519169, 1}, {"GPEtn(18:1(9Z)/0:0) [ C23 H46 N O7 P, db=98.52, \
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   {528.3661, 13.33408, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {328.2613, 13.336803, "Meta"} -> {{229435, 240082, 101264}, {"", ""}}, 
   {517.2493, 13.338251, "Meta"} -> {{97640, 79877, 60108}, {"", ""}}, 
   {1250.794, 13.402483, "Meta"} -> {{31401, 103272, 87371}, {"", ""}}, 
   {479.8187, 13.336802, "Meta"} -> {{72851, 67379, 1}, {"", ""}}, 
   {388.2939, 13.338266, "Meta"} -> {{20433, 23157, 1}, 
     {"1alpha-hydroxy-21-nor-20-oxavitamin D3 / \
1alpha-hydroxy-21-nor-20-oxacholecalciferol [ C25 H40 O3, db=40.90, \
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   {947.6221, 13.3417425, "Meta"} -> {{54870, 60728, 1}, {"", ""}}, 
   {301.2679, 13.337848, "Meta"} -> {{256707, 132762, 1}, {"", ""}}, 
   {284.2354, 13.34189, "Meta"} -> {{437936, 218543, 683526}, 
     {"2-oxo-heptadecanoic acid [ C17 H32 O3, db=85.71, overall=42.86, Lipid \
ID=, KEGG ID= ]", ""}}, {430.3079, 13.34614, "Meta"} -> 
    {{371266, 319043, 511434}, {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=95.43, \
overall=47.71, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {577.27, 13.340281, "Meta"} -> {{35563, 34443, 31254}, 
     {" [ C33 H39 N O8, db=0.00, overall=34.88, mfg=69.77 ]", ""}}, 
   {986.6369, 13.352861, "Meta"} -> {{418115, 357543, 301233}, {"", ""}}, 
   {981.6806, 13.352666, "Meta"} -> {{292496, 342009, 466402}, {"", ""}}, 
   {533.3479, 13.338459, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1000.6504, 13.355293, "Meta"} -> {{95367, 117632, 1}, {"", ""}}, 
   {1599.9753, 13.409709, "Meta"} -> {{42532, 37232, 1}, {"", ""}}, 
   {268.2401, 13.405736, "Meta"} -> {{839796, 889914, 1162680}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=99.54, overall=49.77, Lipid \
ID=LMFA01030060, KEGG ID= ]", ""}}, {589.4191, 13.370656, "Meta"} -> 
    {{152713, 171544, 188078}, {"", ""}}, {523.8448, 13.3705, "Meta"} -> 
    {{83036, 78196, 98252}, {"", ""}}, {594.3745, 13.370138, "Meta"} -> 
    {{133641, 160718, 158570}, {"7,8-Didehydroastaxanthin [ C40 H50 O4, \
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   {1025.706, 13.367587, "Meta"} -> {{342869, 367301, 38305}, {"", ""}}, 
   {1581.9897, 13.412071, "Meta"} -> {{99987, 82569, 1}, {"", ""}}, 
   {1625.9843, 13.380572, "Meta"} -> {{1, 1, 31573}, {"", ""}}, 
   {1016.6811, 13.3736105, "Meta"} -> {{519571, 693252, 76689}, {"", ""}}, 
   {545.8579, 13.391934, "Meta"} -> {{77416, 81133, 102251}, {"", ""}}, 
   {1041.1667, 13.452554, "Meta"} -> {{1, 38972, 1}, {"", ""}}, 
   {2618.6714, 13.380218, "Meta"} -> {{170215, 80449, 1}, {"", ""}}, 
   {1538.0292, 13.379565, "Meta"} -> {{1, 37238, 1}, {"", ""}}, 
   {2123.34, 13.399669, "Meta"} -> {{1, 1, 41787}, {"", ""}}, 
   {1586.5278, 13.398274, "Meta"} -> {{25847, 26237, 1}, {"", ""}}, 
   {1065.18, 13.404373, "Meta"} -> {{129652, 118027, 1}, {"", ""}}, 
   {1564.0461, 13.391882, "Meta"} -> {{312181, 60240, 1}, {"", ""}}, 
   {1042.6969, 13.392434, "Meta"} -> {{5513673, 5239924, 1}, {"", ""}}, 
   {2138.309, 13.398957, "Meta"} -> {{299227, 1, 1}, {"", ""}}, 
   {1586.0273, 13.389183, "Meta"} -> {{642255, 727383, 99771}, {"", ""}}, 
   {543.3173, 13.400834, "Meta"} -> {{1, 114343, 55893}, {"", ""}}, 
   {1211.6556, 13.401071, "Meta"} -> {{1, 20060, 1}, {"", ""}}, 
   {1601.9927, 13.398812, "Meta"} -> {{1, 591379, 107499}, {"", ""}}, 
   {1098.6179, 13.403186, "Meta"} -> {{1, 312961, 87423}, {"", ""}}, 
   {1095.6132, 13.404236, "Meta"} -> {{1, 327664, 1}, {"", ""}}, 
   {577.2687, 13.40871, "Meta"} -> {{285123, 269451, 111089}, 
     {" [ C33 H39 N O8, db=0.00, overall=31.75, mfg=63.50 ]", ""}}, 
   {559.2963, 13.411333, "Meta"} -> {{2459063, 1958062, 1008089}, {"", ""}}, 
   {634.2827, 13.409872, "Meta"} -> {{345694, 1, 1}, 
     {"Rescinnamine [ C35 H42 N2 O9, db=64.05, overall=32.02, KEGG ID=C06540, \
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    {{43880, 36390, 1}, {"", ""}}, {574.2699, 13.414751, "Meta"} -> 
    {{186762, 171546, 66909}, {"", ""}}, {521.3495, 13.403557, "Meta"} -> 
    {{5.01*^7, 5.45*^7, 2.01*^7}, {"", ""}}, {637.2891, 13.414482, "Meta"} -> 
    {{113218, 1, 1}, {"", ""}}, {1118.7146, 13.412797, "Meta"} -> 
    {{149674, 144255, 118830}, {"", ""}}, {619.3223, 13.421804, "Meta"} -> 
    {{564264, 654134, 397963}, {"", ""}}, {633.4451, 13.413411, "Meta"} -> 
    {{158238, 207309, 235638}, {"", ""}}, {603.3438, 13.414715, "Meta"} -> 
    {{127874, 105966, 88163}, {"", ""}}, {2560.632, 13.427743, "Meta"} -> 
    {{90691, 94899, 1}, {"", ""}}, {543.3295, 13.437201, "Meta"} -> 
    {{1.*^7, 1, 1}, {"Arachidonyl lysolecithin [ C28 H50 N O7 P, db=68.32, \
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   {1135.743, 13.422143, "Meta"} -> {{112593, 107969, 142725}, {"", ""}}, 
   {690.3105, 13.4258585, "Meta"} -> {{166330, 150671, 56497}, {"", ""}}, 
   {1501.9677, 13.427439, "Meta"} -> {{17237, 19903, 1}, {"", ""}}, 
   {2039.2827, 13.429742, "Meta"} -> {{58398, 73483, 1}, {"", ""}}, 
   {958.6393, 13.429195, "Meta"} -> {{220137, 251765, 84217}, {"", ""}}, 
   {1162.74, 13.429583, "Meta"} -> {{84765, 160017, 85713}, {"", ""}}, 
   {1517.9358, 13.433, "Meta"} -> {{63481, 74555, 47627}, {"", ""}}, 
   {346.283, 13.424243, "Meta"} -> {{97065, 117642, 161933}, {"", ""}}, 
   {475.2383, 13.436575, "Meta"} -> {{43311, 47388, 47286}, {"", ""}}, 
   {996.5873, 13.434169, "Meta"} -> {{92213, 112967, 117383}, {"", ""}}, 
   {437.2908, 13.436001, "Meta"} -> {{1143604, 1143574, 1254854}, {"", ""}}, 
   {1174.8127, 13.437468, "Meta"} -> {{59463, 57778, 55782}, 
     {"Ganglioside GA2 (d18:1/24:1(15Z)) [ C62 H114 N2 O18, db=63.68, \
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   {356.2326, 13.443095, "Meta"} -> {{82307, 98832, 162840}, 
     {"Estradiol valerate [ C23 H32 O3, db=76.14, overall=38.07, Lipid \
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    {{1, 1, 1}, {"2-hydroxy-heptadecanoic acid [ C17 H34 O3, db=69.59, \
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    {{113801, 137740, 135404}, {"", ""}}, {660.4455, 13.46008, "Meta"} -> 
    {{1, 27728, 41391}, {"", ""}}, {677.4712, 13.445686, "Meta"} -> 
    {{153054, 157361, 183815}, {"", ""}}, {1589.9924, 13.468614, "Meta"} -> 
    {{1, 34008, 1}, {"", ""}}, {582.434, 13.44971, "Meta"} -> 
    {{92574, 72180, 92044}, {"", ""}}, {1201.8121, 13.446374, "Meta"} -> 
    {{1, 150452, 1}, {"", ""}}, {1218.8394, 13.450121, "Meta"} -> 
    {{42264, 47780, 47950}, {"", ""}}, {643.4868, 13.455331, "Meta"} -> 
    {{152894, 141615, 137295}, {"", ""}}, {787.504, 13.456806, "Meta"} -> 
    {{131967, 157444, 231561}, {"", ""}}, {360.1684, 13.446973, "Meta"} -> 
    {{72946, 60832, 69719}, {"", ""}}, {298.2508, 13.4529085, "Meta"} -> 
    {{79360, 83067, 382515}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, \
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   {328.1422, 13.449487, "Meta"} -> {{244944, 200069, 232734}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=59.63, overall=29.81 ]", ""}}, 
   {626.4605, 13.455713, "Meta"} -> {{186447, 177811, 187633}, {"", ""}}, 
   {529.3166, 13.445241, "Meta"} -> {{55944, 53107, 43044}, {"", ""}}, 
   {298.132, 13.452121, "Meta"} -> {{52032, 33314, 42628}, {"", ""}}, 
   {210.1979, 13.462029, "Meta"} -> {{35315, 37021, 37267}, 
     {"9R-(2-cyclopentenyl)-1-nonanol [ C14 H26 O, db=80.27, overall=40.13, \
Lipid ID=, KEGG ID= ]", ""}}, {228.2088, 13.461361, "Meta"} -> 
    {{169480, 165139, 183992}, {"4,8-dimethyl-dodecanoic acid [ C14 H28 O2, \
db=97.16, overall=48.58, KEGG ID=, CAS ID= ]", ""}}, 
   {242.2246, 13.461306, "Meta"} -> {{108103, 120188, 120087}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=84.34, overall=42.17, KEGG ID=, \
CAS ID= ]", ""}}, {326.1768, 13.462116, "Meta"} -> {{1, 1, 92600}, {"", ""}}, 
   {386.1997, 13.462514, "Meta"} -> {{54145, 51192, 1}, 
     {"Sufentanil [ C22 H30 N2 O2 S, db=68.01, overall=34.01, KEGG ID=C08022, \
CAS ID=56030-54-7 ]", "56030-54-7"}}, {1262.8665, 13.464781, "Meta"} -> 
    {{57309, 54655, 1}, {"", ""}}, {373.1689, 13.462395, "Meta"} -> 
    {{41473, 1, 32958}, {"", ""}}, {687.5133, 13.464694, "Meta"} -> 
    {{275914, 275677, 275754}, {"", ""}}, {670.4869, 13.464749, "Meta"} -> 
    {{363639, 374784, 340765}, {"", ""}}, {282.2192, 13.465608, "Meta"} -> 
    {{137533, 101810, 101735}, {"12S-hydroxy-16-heptadecynoic acid [ C17 H30 \
O3, db=84.60, overall=42.30, Lipid ID=, KEGG ID= ]", ""}}, 
   {889.4821, 13.472444, "Meta"} -> {{43425, 1, 1}, {"", ""}}, 
   {1068.6482, 13.486214, "Meta"} -> {{1, 45537, 1}, {"", ""}}, 
   {294.2173, 13.475067, "Meta"} -> {{48398, 60873, 58807}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=67.17, overall=33.58, \
Lipid ID=, KEGG ID= ]", ""}}, {721.4973, 13.473999, "Meta"} -> 
    {{136803, 128767, 150012}, {"", ""}}, {322.2483, 13.518925, "Meta"} -> 
    {{1, 74463, 108137}, {"5(S)-HETrE [ C20 H34 O3, db=45.60, overall=22.80, \
Lipid ID=LMFA03050005, KEGG ID= ]", ""}}, {714.513, 13.474778, "Meta"} -> 
    {{565153, 520817, 508384}, {"", ""}}, {726.453, 13.474451, "Meta"} -> 
    {{104308, 114802, 104167}, {"", ""}}, {731.5396, 13.474721, "Meta"} -> 
    {{440373, 426601, 417868}, {"GPEtnNMe(16:0/18:1(9Z))[U] [ C40 H78 N O8 P, \
db=63.14, overall=31.57, Lipid ID=LMGP02010335, KEGG ID= ]", ""}}, 
   {346.1525, 13.466243, "Meta"} -> {{113057, 95716, 140097}, {"", ""}}, 
   {1306.8907, 13.478, "Meta"} -> {{35297, 36262, 37394}, {"", ""}}, 
   {779.9911, 13.482259, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {426.2963, 13.498375, "Meta"} -> {{32464, 1, 37716}, 
     {"GPCho(O-6:0/O-6:0) [ C20 H45 N O6 P, db=69.94, overall=34.97, Lipid \
ID=LMGP01040078, KEGG ID= ]", ""}}, {775.5658, 13.486027, "Meta"} -> 
    {{565179, 565122, 559294}, {"", ""}}, {439.306, 13.489087, "Meta"} -> 
    {{186828, 198958, 180254}, {"", ""}}, {758.539, 13.485962, "Meta"} -> 
    {{694882, 658688, 1}, {"", ""}}, {368.1336, 13.48364, "Meta"} -> 
    {{95181, 44015, 1}, {"", ""}}, {283.108, 13.4861145, "Meta"} -> 
    {{186893, 123825, 60119}, {"", ""}}, {648.2967, 13.495222, "Meta"} -> 
    {{1, 23461, 1}, {"", ""}}, {819.592, 13.497973, "Meta"} -> 
    {{655088, 641455, 632390}, {"", ""}}, {802.5656, 13.49772, "Meta"} -> 
    {{734436, 760462, 673355}, {"1-heptadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetra\
enoyl)-sn-glycero-3-phospho-(1'-rac-glycerol) [ C43 H81 N O10 P, db=70.84, \
overall=35.42, KEGG ID=, CAS ID= ]", ""}}, {479.337, 13.495556, "Meta"} -> 
    {{4434057, 5069837, 3020245}, {"", ""}}, 
   {1165.6327, 13.499093, "Meta"} -> {{25374, 35527, 1}, {"", ""}}, 
   {1151.618, 13.505199, "Meta"} -> {{40896, 1, 1}, {"", ""}}, 
   {988.6857, 13.50629, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {339.2883, 13.506903, "Meta"} -> {{532027, 678701, 674121}, {"", ""}}, 
   {517.285, 13.498918, "Meta"} -> {{145642, 179652, 137223}, {"", ""}}, 
   {765.5234, 13.503918, "Meta"} -> {{110391, 118672, 117953}, {"", ""}}, 
   {1399.899, 13.508409, "Meta"} -> {{57403, 47872, 49651}, {"", ""}}, 
   {1050.7004, 13.5051985, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1026.6353, 13.507728, "Meta"} -> {{1, 23444, 1}, {"", ""}}, 
   {1092.7122, 13.491323, "Meta"} -> {{1, 22914, 1}, {"", ""}}, 
   {477.1903, 13.515063, "Meta"} -> {{82857, 75952, 83549}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=52.47, overall=26.23, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {279.2562, 13.510799, "Meta"} -> 
    {{4049512, 4217296, 3921761}, {"", ""}}, 
   {1123.622, 13.4977045, "Meta"} -> {{19806, 31706, 1}, {"", ""}}, 
   {598.2433, 13.509795, "Meta"} -> {{59495, 33696, 33528}, {"", ""}}, 
   {846.5917, 13.509481, "Meta"} -> {{154405, 885998, 783794}, {"", ""}}, 
   {863.6182, 13.510503, "Meta"} -> {{668348, 678575, 667449}, 
     {"C22 Sulfatide [ C46 H89 N O11 S, db=87.95, overall=43.97, Lipid \
ID=LMSP06020009, KEGG ID= ]", ""}}, {885.5996, 13.517038, "Meta"} -> 
    {{105806, 96590, 93967}, {"", ""}}, {612.2584, 13.509334, "Meta"} -> 
    {{414459, 336800, 345102}, {"", ""}}, {580.2323, 13.509277, "Meta"} -> 
    {{657306, 557281, 474032}, {"", ""}}, {547.2957, 13.523854, "Meta"} -> 
    {{87285, 88253, 1}, {"", ""}}, {644.2847, 13.51143, "Meta"} -> 
    {{953776, 882388, 791236}, {"", ""}}, {509.3475, 13.52603, "Meta"} -> 
    {{2018103, 2337811, 619954}, {"", ""}}, {658.2652, 13.513304, "Meta"} -> 
    {{86553, 56704, 68874}, {"", ""}}, {607.3208, 13.524964, "Meta"} -> 
    {{1, 58154, 1}, {"", ""}}, {907.6449, 13.525166, "Meta"} -> 
    {{852496, 702690, 846651}, {"3-O-Sulfogalactosylceramide [ C48 H93 N O12 \
S, db=86.45, overall=43.23, HMP ID=HMDB00024, KEGG ID= ]", ""}}, 
   {890.6182, 13.524207, "Meta"} -> {{71645, 1, 674439}, {"", ""}}, 
   {720.3006, 13.519515, "Meta"} -> {{45772, 38068, 33748}, {"", ""}}, 
   {672.2796, 13.517088, "Meta"} -> {{347537, 273765, 278010}, {"", ""}}, 
   {571.3639, 13.521864, "Meta"} -> {{1785862, 1578580, 338752}, {"", ""}}, 
   {354.2171, 13.571854, "Meta"} -> {{25541, 38455, 34411}, 
     {"Levonorgestrel acetate [ C23 H30 O3, db=64.58, overall=32.29, KEGG \
ID=, CAS ID=13732-69-9 ]", "13732-69-9"}}, {814.5046, 13.536868, "Meta"} -> 
    {{1, 86671, 62912}, {"", ""}}, {809.5497, 13.531092, "Meta"} -> 
    {{71574, 82120, 77539}, {"", ""}}, {734.3164, 13.525888, "Meta"} -> 
    {{124623, 95436, 87396}, {"", ""}}, {299.2825, 13.542036, "Meta"} -> 
    {{1, 1, 1}, {"3-Dehydrosphinganine [ C18 H37 N O2, db=93.67, \
overall=46.83, KEGG ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {706.3211, 13.528087, "Meta"} -> {{62569, 48753, 49461}, {"", ""}}, 
   {1369.8884, 13.563042, "Meta"} -> {{89200, 75685, 86120}, {"", ""}}, 
   {934.6437, 13.537066, "Meta"} -> {{646809, 641154, 1}, {"", ""}}, 
   {951.6706, 13.535638, "Meta"} -> {{582631, 566674, 855029}, {"", ""}}, 
   {395.3035, 13.538113, "Meta"} -> {{64485, 62781, 1}, {"", ""}}, 
   {400.2588, 13.538917, "Meta"} -> {{235847, 224803, 150537}, 
     {"Ophiobolin A [ C25 H36 O4, db=54.29, overall=27.15, Lipid \
ID=LMPR01050002, KEGG ID=C09145 ]", ""}}, {452.2451, 13.542232, "Meta"} -> 
    {{61810, 63162, 23388}, {"Diphenoxylate [ C30 H32 N2 O2, db=83.13, \
overall=41.56, KEGG ID=C07872, CAS ID=915-30-0 ]", "915-30-0"}}, 
   {354.2765, 13.544889, "Meta"} -> {{1617110, 1573923, 242561}, 
     {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 O4, db=86.35, \
overall=43.17, KEGG ID=, CAS ID= ]", ""}}, {491.2062, 13.533772, "Meta"} -> 
    {{139608, 66189, 86755}, 
     {"Tyr Phe Tyr [ C27 H29 N3 O6, db=57.52, overall=28.76 ]", ""}}, 
   {414.3093, 13.543919, "Meta"} -> {{101260, 140205, 48942}, {"", ""}}, 
   {371.3036, 13.545373, "Meta"} -> {{398131, 389290, 1}, {"", ""}}, 
   {1000.6522, 13.561621, "Meta"} -> {{869233, 685947, 716797}, {"", ""}}, 
   {995.6966, 13.547221, "Meta"} -> {{581626, 613438, 556200}, {"", ""}}, 
   {262.2296, 13.545572, "Meta"} -> {{133541, 127868, 1}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=92.20, overall=46.10, Lipid \
ID=, KEGG ID= ]", ""}}, {396.2665, 13.645791, "Meta"} -> 
    {{82903, 72559, 83135}, {"", ""}}, {508.8397, 13.549695, "Meta"} -> 
    {{186278, 179575, 178328}, {"", ""}}, {1022.6367, 13.552206, "Meta"} -> 
    {{1, 164926, 1}, {"", ""}}, {267.2559, 13.55222, "Meta"} -> 
    {{740558, 678343, 379597}, {"", ""}}, {853.5758, 13.555092, "Meta"} -> 
    {{54472, 54695, 1}, {"", ""}}, {501.2539, 13.558999, "Meta"} -> 
    {{40896, 47174, 38748}, {"", ""}}, {858.5316, 13.556654, "Meta"} -> 
    {{55673, 54897, 50677}, {"", ""}}, {1028.648, 13.573232, "Meta"} -> 
    {{35205, 1, 22906}, {"", ""}}, {837.5203, 13.564915, "Meta"} -> 
    {{48014, 30409, 1}, {"", ""}}, {519.8613, 13.559681, "Meta"} -> 
    {{826749, 1, 804186}, {"", ""}}, {1056.7491, 13.56075, "Meta"} -> 
    {{176859, 147834, 166597}, {"", ""}}, {530.8529, 13.562063, "Meta"} -> 
    {{1, 221796, 1}, {"", ""}}, {463.3064, 13.56053, "Meta"} -> 
    {{1086791, 1195084, 1000250}, {"", ""}}, {334.1441, 13.569034, "Meta"} -> 
    {{146538, 101625, 115050}, 
     {"Arg Cys Gly [ C11 H22 N6 O4 S, db=50.72, overall=25.36 ]", ""}}, 
   {376.1987, 13.568419, "Meta"} -> {{169322, 109593, 190156}, 
     {"Glu Thr Lys [ C15 H28 N4 O7, db=67.35, overall=33.68 ]", ""}}, 
   {316.1717, 13.568858, "Meta"} -> {{89199, 78942, 87850}, 
     {"Ala Asn Leu [ C13 H24 N4 O5, db=54.09, overall=27.05 ]", ""}}, 
   {278.2244, 13.568999, "Meta"} -> {{1020167, 824600, 886096}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=86.05, overall=43.02, Lipid \
ID=LMFA01030148, KEGG ID= ]", ""}}, {295.2523, 13.578938, "Meta"} -> 
    {{560984, 400843, 374042}, {"", ""}}, {1088.7043, 13.572557, "Meta"} -> 
    {{299982, 243066, 269817}, {"", ""}}, {1110.6956, 13.577559, "Meta"} -> 
    {{224734, 1, 139010}, {"", ""}}, {960.6902, 13.570629, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {902.5572, 13.5793, "Meta"} -> 
    {{23176, 36239, 33254}, {"", ""}}, {897.6025, 13.580344, "Meta"} -> 
    {{1, 61420, 1}, {"", ""}}, {294.2172, 13.592863, "Meta"} -> 
    {{1, 1, 1}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=68.48, \
overall=34.24, Lipid ID=, KEGG ID= ]", ""}}, {466.3728, 13.589202, "Meta"} -> 
    {{1, 230119, 1}, {"", ""}}, {519.3001, 13.581778, "Meta"} -> 
    {{131043, 168684, 119416}, {"", ""}}, {594.2896, 13.585677, "Meta"} -> 
    {{29276, 39335, 23003}, 
     {" [ C33 H42 N2 O8, db=0.00, overall=30.00, mfg=60.00 ]", ""}}, 
   {1132.7306, 13.584446, "Meta"} -> {{207783, 223810, 267642}, {"", ""}}, 
   {481.3526, 13.5835, "Meta"} -> {{5105066, 5501187, 3916915}, 
     {"1-O-Hexadecyl-2-lyso-glycero-3-phosphorylcholine [ C24 H52 N O6 P, \
db=95.41, overall=47.71, KEGG ID=, CAS ID=52691-62-0 ]", "52691-62-0"}}, 
   {579.3257, 13.584827, "Meta"} -> {{96823, 133678, 1}, {"", ""}}, 
   {421.3402, 13.600849, "Meta"} -> {{1, 63826, 1}, {"", ""}}, 
   {364.2589, 13.5994625, "Meta"} -> {{109907, 127429, 131348}, 
     {"11-deoxy-16,16-dimethyl-PGE2 [ C22 H36 O4, db=63.57, overall=31.78, \
KEGG ID=, CAS ID= ]", ""}}, {386.3031, 13.601744, "Meta"} -> 
    {{33669, 48511, 1}, {"", ""}}, {1545.9933, 13.579229, "Meta"} -> 
    {{79074, 1, 70358}, {"", ""}}, {1176.7563, 13.596857, "Meta"} -> 
    {{202135, 259873, 197051}, {"", ""}}, {404.3139, 13.602781, "Meta"} -> 
    {{1, 257786, 1}, {"", ""}}, {599.8735, 13.598457, "Meta"} -> 
    {{68227, 78350, 80655}, {"", ""}}, {946.5852, 13.60276, "Meta"} -> 
    {{1, 24436, 1}, {"", ""}}, {547.3639, 13.597056, "Meta"} -> 
    {{1307255, 1522176, 380631}, {"", ""}}, {941.6301, 13.598959, "Meta"} -> 
    {{1, 30872, 1}, {"", ""}}, {585.3108, 13.596875, "Meta"} -> 
    {{67689, 79122, 1}, {"", ""}}, {358.2483, 13.611223, "Meta"} -> 
    {{60324, 81648, 43439}, {"", ""}}, {312.2663, 13.609001, "Meta"} -> 
    {{126881, 229573, 134318}, {"18-oxo-nonadecanoic acid [ C19 H36 O3, \
db=91.98, overall=45.99, Lipid ID=, KEGG ID= ]", ""}}, 
   {1215.8278, 13.60837, "Meta"} -> {{545430, 1, 1}, {"", ""}}, 
   {1220.7823, 13.607741, "Meta"} -> {{181018, 137444, 362944}, {"", ""}}, 
   {1232.8549, 13.610902, "Meta"} -> {{177493, 137919, 173008}, {"", ""}}, 
   {451.3062, 13.630885, "Meta"} -> {{1, 127398, 68585}, {"", ""}}, 
   {773.5247, 13.616361, "Meta"} -> {{27884, 22532, 22205}, {"", ""}}, 
   {1264.8105, 13.619029, "Meta"} -> {{107259, 60211, 90269}, {"", ""}}, 
   {993.6999, 13.622969, "Meta"} -> {{18065, 27906, 1}, {"", ""}}, 
   {629.9261, 13.618459, "Meta"} -> {{149043, 162207, 1}, {"", ""}}, 
   {271.2509, 13.618684, "Meta"} -> {{121394, 91768, 85047}, 
     {"2R-aminohexadecanoic acid [ C16 H33 N O2, db=94.88, overall=47.44, \
Lipid ID=, KEGG ID= ]", ""}}, {367.1602, 13.626543, "Meta"} -> 
    {{92670, 56041, 52647}, {"prasterone sulfate [ C19 H27 O5 S, db=49.48, \
overall=24.74, KEGG ID=, CAS ID=78590-17-7 ]", "78590-17-7"}}, 
   {1276.8809, 13.6216545, "Meta"} -> {{1, 206922, 163411}, {"", ""}}, 
   {254.2244, 13.625055, "Meta"} -> {{851582, 715194, 707159}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=96.21, overall=48.11, Lipid \
ID=LMFA01030055, KEGG ID= ]", ""}}, {356.2328, 13.633856, "Meta"} -> 
    {{16161, 52077, 17348}, {"Estradiol valerate [ C23 H32 O3, db=47.05, \
overall=23.52, Lipid ID=LMST02010039, KEGG ID=C12859 ]", ""}}, 
   {370.17, 13.628917, "Meta"} -> {{74225, 63088, 1}, {"", ""}}, 
   {352.1935, 13.626401, "Meta"} -> {{1, 187746, 192551}, {"", ""}}, 
   {308.235, 13.627833, "Meta"} -> {{900695, 2044695, 740060}, 
     {"methyl 9,10-epoxy-12,15-octadecadienoate [ C19 H32 O3, db=72.91, \
overall=36.45, Lipid ID=, KEGG ID= ]", ""}}, {236.2138, 13.625389, "Meta"} -> 
    {{61496, 39602, 50227}, {"6,11-hexadecadienal [ C16 H28 O, db=62.84, \
overall=31.42, Lipid ID=, KEGG ID= ]", ""}}, {512.3476, 13.627999, "Meta"} -> 
    {{172438, 201981, 160388}, {"ZK 159222 [ C32 H48 O5, db=76.77, \
overall=38.39, Lipid ID=LMST03020621, KEGG ID= ]", ""}}, 
   {325.2617, 13.630723, "Meta"} -> {{228676, 212482, 187044}, 
     {"50oxo-ETE-d7 [ C20 H23 D7 O3, db=54.79, overall=27.39, Lipid \
ID=LMFA03060083, KEGG ID= ]", ""}}, {472.3549, 13.629856, "Meta"} -> 
    {{106593, 76095, 97452}, {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehy\
dro-23-oxavitamin D3 / 26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, \
db=78.46, overall=39.23, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {290.2243, 13.629774, "Meta"} -> {{1, 120099, 1}, 
     {"Androsterone [ C19 H30 O2, db=84.81, overall=42.40, KEGG ID=C00523, \
CAS ID=53-41-8 ]", "53-41-8"}}, {1303.8798, 13.632357, "Meta"} -> 
    {{376373, 409386, 325997}, {"", ""}}, {1308.8383, 13.623311, "Meta"} -> 
    {{57570, 204572, 34935}, {"", ""}}, {1320.9062, 13.631161, "Meta"} -> 
    {{185027, 158941, 151463}, {"", ""}}, {484.3163, 13.628167, "Meta"} -> 
    {{429121, 335330, 290093}, {"", ""}}, {589.3743, 13.630784, "Meta"} -> 
    {{73126, 1, 1}, {"", ""}}, {1347.9061, 13.640295, "Meta"} -> 
    {{1, 223233, 249624}, {"", ""}}, {1364.9329, 13.639176, "Meta"} -> 
    {{136007, 157858, 113254}, {"", ""}}, {543.3015, 13.631483, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {268.2188, 13.641944, "Meta"} -> 
    {{205335, 205136, 143645}, {"", ""}}, {505.3532, 13.638071, "Meta"} -> 
    {{1, 746390, 1}, {"", ""}}, {1408.9576, 13.652612, "Meta"} -> 
    {{86572, 80885, 89010}, {"", ""}}, {1418.8726, 13.652807, "Meta"} -> 
    {{97385, 98017, 80770}, {"", ""}}, {380.2538, 13.661728, "Meta"} -> 
    {{44249, 1, 30861}, {"16,16-dimethyl-PGE2 [ C22 H36 O5, db=43.84, \
overall=21.92, Lipid ID=LMFA03010065, KEGG ID= ]", ""}}, 
   {277.2381, 13.661151, "Meta"} -> {{1, 905116, 956786}, {"", ""}}, 
   {456.3809, 13.659138, "Meta"} -> {{237110, 199596, 170803}, {"", ""}}, 
   {1452.9851, 13.655355, "Meta"} -> {{63113, 69047, 96601}, {"", ""}}, 
   {1462.9037, 13.658624, "Meta"} -> {{82246, 82003, 58214}, {"", ""}}, 
   {1457.9413, 13.6546545, "Meta"} -> {{116478, 1, 1}, {"", ""}}, 
   {535.364, 13.656915, "Meta"} -> {{196101, 250364, 1}, {"", ""}}, 
   {315.2885, 13.664111, "Meta"} -> {{760839, 1114336, 1118401}, {"", ""}}, 
   {255.2563, 13.666528, "Meta"} -> {{4260122, 2505159, 2343487}, {"", ""}}, 
   {1497.008, 13.670268, "Meta"} -> {{58950, 1, 58721}, {"", ""}}, 
   {300.3139, 13.665778, "Meta"} -> {{51105, 49061, 44497}, {"", ""}}, 
   {750.9837, 13.667515, "Meta"} -> {{59322, 62790, 47866}, {"", ""}}, 
   {1541.0359, 13.675578, "Meta"} -> {{33911, 51720, 29701}, {"", ""}}, 
   {561.3118, 13.6438, "Meta"} -> {{1, 102984, 1}, {"", ""}}, 
   {419.3251, 13.692777, "Meta"} -> {{394795, 330606, 384471}, {"", ""}}, 
   {585.5332, 13.689299, "Meta"} -> {{1, 252393, 133247}, {"", ""}}, 
   {728.5284, 13.694607, "Meta"} -> {{322184, 41245, 242447}, 
     {" 1-heptadecanoyl, \
2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate [ C40 H75 N O8 P, \
db=67.05, overall=33.53, KEGG ID=, CAS ID= ]", ""}}, 
   {657.5026, 13.693542, "Meta"} -> {{42295, 51557, 53102}, {"", ""}}, 
   {745.5551, 13.695362, "Meta"} -> {{213419, 207614, 206303}, 
     {"GPEtn(18:0/18:1(9Z))[U] [ C41 H80 N O8 P, db=60.81, overall=30.41, \
Lipid ID=LMGP02010026, KEGG ID= ]", ""}}, {789.5814, 13.698277, "Meta"} -> 
    {{337367, 300679, 315893}, {"", ""}}, {988.6896, 13.703807, "Meta"} -> 
    {{1, 23778, 1}, {"", ""}}, {481.3164, 13.701916, "Meta"} -> 
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   {1202.8444, 13.744382, "Meta"} -> {{267271, 273435, 294259}, 
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   {1058.2133, 13.77028, "Meta"} -> {{16940, 62942, 1}, {"", ""}}, 
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   {1405.9486, 13.799881, "Meta"} -> {{372255, 412164, 30608}, {"", ""}}, 
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     {"Anandamide (20:5, n-3) [ C22 H35 N O2, db=85.48, overall=42.74, Lipid \
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    {{436811, 301970, 461884}, {"3,9,15-Docosatriynoic acid [ C22 H32 O2, \
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   {1330.8604, 13.71827, "Meta"} -> {{37043, 1, 1}, {"", ""}}, 
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   {536.5281, 13.803085, "Meta"} -> {{107634, 118838, 121269}, {"", ""}}, 
   {587.4892, 13.8079605, "Meta"} -> {{15636, 18341, 39393}, {"", ""}}, 
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   {341.3044, 13.817472, "Meta"} -> {{3221038, 4059952, 4179864}, {"", ""}}, 
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   {281.2712, 13.812444, "Meta"} -> {{3.84*^7, 2.54*^7, 3.81*^7}, 
     {"Oleamide [ C18 H35 N O, db=95.12, overall=47.56, KEGG ID=, CAS \
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    {{150345, 149296, 174444}, {"", ""}}, {312.3138, 13.81286, "Meta"} -> 
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   {887.643, 13.824824, "Meta"} -> {{25351, 71250, 1}, {"", ""}}, 
   {262.2296, 13.822443, "Meta"} -> {{124314, 117387, 126440}, 
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    {{75834, 1, 91225}, {"", ""}}, {1599.0771, 13.82784, "Meta"} -> 
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     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.73, overall=42.36, \
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    {{88401, 126665, 83172}, {"9,12-octadecadienal [ C18 H32 O, db=93.91, \
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    {{95536, 40280, 49869}, {"", ""}}, {637.5649, 13.826834, "Meta"} -> 
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    {{37411, 42423, 15684}, {"18-acetoxy-PGF2alpha-11-acetate [ C24 H38 O8, \
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    {{43720, 65887, 29889}, {"", ""}}, {296.2716, 13.837235, "Meta"} -> 
    {{1, 1422470, 1657137}, {"10-methylene-octadecanoic acid [ C19 H36 O2, \
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   {331.3083, 13.839138, "Meta"} -> {{22494, 27969, 28694}, {"", ""}}, 
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   {312.2662, 13.867914, "Meta"} -> {{231885, 336760, 366835}, 
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    {{86006, 77422, 70853}, {"", ""}}, {875.5037, 13.871608, "Meta"} -> 
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   {360.1681, 13.864379, "Meta"} -> {{57534, 1, 1}, 
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   {418.1739, 13.870945, "Meta"} -> {{114427, 106064, 105024}, 
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    {{76839, 82433, 88584}, {"", ""}}, {1103.5966, 13.872333, "Meta"} -> 
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    {{605594, 452509, 417937}, {"", ""}}, {390.1788, 13.869486, "Meta"} -> 
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   {328.1421, 13.873054, "Meta"} -> {{322794, 256595, 277930}, 
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   {1189.6305, 13.875001, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {420.1898, 13.874806, "Meta"} -> {{23295, 19420, 1}, 
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   {582.2468, 13.8751, "Meta"} -> {{6500363, 5890778, 4414394}, 
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   {734.3167, 13.875916, "Meta"} -> {{838750, 701098, 658387}, {"", ""}}, 
   {970.4116, 13.876899, "Meta"} -> {{94543, 30661, 1}, {"", ""}}, 
   {867.3674, 13.8762865, "Meta"} -> {{266105, 232769, 205015}, {"", ""}}, 
   {926.3857, 13.876266, "Meta"} -> {{142094, 160563, 50559}, {"", ""}}, 
   {583.2517, 13.87564, "Meta"} -> {{2585750, 2358741, 2513251}, {"", ""}}, 
   {956.396, 13.876835, "Meta"} -> {{100035, 95925, 69055}, {"", ""}}, 
   {676.308, 13.876473, "Meta"} -> {{114339, 105737, 113023}, {"", ""}}, 
   {929.4038, 13.876501, "Meta"} -> {{115722, 97823, 1}, {"", ""}}, 
   {672.2801, 13.875572, "Meta"} -> {{2061970, 1834646, 1804441}, {"", ""}}, 
   {493.2209, 13.875945, "Meta"} -> {{351758, 331690, 265778}, {"", ""}}, 
   {658.2643, 13.874903, "Meta"} -> {{540384, 408563, 405650}, {"", ""}}, 
   {1151.4832, 13.877482, "Meta"} -> {{55286, 50676, 1}, {"", ""}}, 
   {961.4299, 13.877784, "Meta"} -> {{29618, 30909, 25544}, {"", ""}}, 
   {912.4054, 13.877669, "Meta"} -> {{1, 1, 247162}, {"", ""}}, 
   {762.3116, 13.876194, "Meta"} -> {{382777, 309108, 277522}, {"", ""}}, 
   {975.4451, 13.8780365, "Meta"} -> {{50511, 1, 1}, {"", ""}}, 
   {509.216, 13.87594, "Meta"} -> {{59529, 58895, 56605}, {"", ""}}, 
   {491.2056, 13.876723, "Meta"} -> {{338749, 309655, 323504}, 
     {"Tyr Phe Tyr [ C27 H29 N3 O6, db=65.06, overall=32.53 ]", ""}}, 
   {881.3826, 13.877259, "Meta"} -> {{48316, 38536, 1}, {"", ""}}, 
   {1193.664, 13.879387, "Meta"} -> {{1, 47279, 1}, {"", ""}}, 
   {582.7497, 13.876502, "Meta"} -> {{186475, 163666, 132431}, {"", ""}}, 
   {495.208, 13.876967, "Meta"} -> {{1, 1, 53546}, 
     {"Trp Tyr Gln [ C25 H29 N5 O6, db=56.92, overall=28.46 ]", ""}}, 
   {616.2538, 13.877678, "Meta"} -> {{139187, 133527, 118786}, {"", ""}}, 
   {479.205, 13.876445, "Meta"} -> {{82547, 64943, 67406}, 
     {"Nicardipine [ C26 H29 N3 O6, db=70.81, overall=35.41, KEGG ID=C07264, \
CAS ID=55985-32-5 ]", "55985-32-5"}}, {878.365, 13.876516, "Meta"} -> 
    {{22180, 18879, 17747}, {"", ""}}, {567.2211, 13.876649, "Meta"} -> 
    {{1, 1, 166068}, {"", ""}}, {644.7861, 13.877095, "Meta"} -> 
    {{20951, 16620, 18255}, {"", ""}}, {461.195, 13.876152, "Meta"} -> 
    {{32493, 1, 31815}, 
     {"Gln Trp Glu [ C21 H27 N5 O7, db=34.78, overall=17.39 ]", ""}}, 
   {298.1317, 13.878472, "Meta"} -> {{940413, 766160, 608009}, {"", ""}}, 
   {352.1394, 13.880392, "Meta"} -> {{1, 1, 41140}, 
     {"Asn Tyr Gly [ C15 H20 N4 O6, db=68.82, overall=34.41 ]", ""}}, 
   {284.1158, 13.879252, "Meta"} -> {{551037, 439903, 420995}, {"", ""}}, 
   {477.1898, 13.879307, "Meta"} -> {{297050, 295842, 294426}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=74.18, overall=37.09, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {833.4963, 13.885234, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1045.5562, 13.8920965, "Meta"} -> 
    {{1, 1, 31579}, {"", ""}}, {1095.5912, 13.892453, "Meta"} -> 
    {{22999, 29644, 1}, {"", ""}}, {1048.5735, 13.892926, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {779.4516, 13.885543, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {918.6492, 13.8966, "Meta"} -> 
    {{477024, 391806, 51414}, {"", ""}}, {935.6756, 13.895752, "Meta"} -> 
    {{408401, 379882, 393359}, {"", ""}}, {891.6496, 13.895306, "Meta"} -> 
    {{291474, 298994, 283860}, {"C24 Sulfatide [ C48 H93 N O11 S, db=88.42, \
overall=44.21, Lipid ID=LMSP06020013, KEGG ID= ]", ""}}, 
   {749.4387, 13.89454, "Meta"} -> {{1, 19468, 1}, {"", ""}}, 
   {830.5967, 13.895909, "Meta"} -> {{247755, 1, 243080}, {"", ""}}, 
   {847.6232, 13.896607, "Meta"} -> {{195853, 176731, 194898}, {"", ""}}, 
   {979.702, 13.896585, "Meta"} -> {{460215, 482576, 454761}, {"", ""}}, 
   {1050.7274, 13.9000435, "Meta"} -> {{35936, 45349, 1}, {"", ""}}, 
   {1028.6847, 13.898851, "Meta"} -> {{496523, 1, 1}, {"", ""}}, 
   {984.6579, 13.897518, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1023.7278, 13.898656, "Meta"} -> {{477650, 481179, 1}, {"", ""}}, 
   {962.6753, 13.896331, "Meta"} -> {{534645, 508289, 478419}, {"", ""}}, 
   {803.597, 13.898972, "Meta"} -> {{126753, 115033, 116461}, {"", ""}}, 
   {1006.7014, 13.900152, "Meta"} -> {{39336, 545804, 431444}, {"", ""}}, 
   {1067.7542, 13.901264, "Meta"} -> {{483765, 538464, 1}, {"", ""}}, 
   {1094.7538, 13.901059, "Meta"} -> {{32444, 45083, 36918}, {"", ""}}, 
   {465.3222, 13.902696, "Meta"} -> {{670153, 930723, 516034}, {"", ""}}, 
   {1138.7803, 13.90453, "Meta"} -> {{25503, 29181, 23914}, {"", ""}}, 
   {478.8288, 13.901231, "Meta"} -> {{50822, 1, 1}, {"", ""}}, 
   {996.7292, 13.904589, "Meta"} -> {{1, 63378, 51844}, 
     {"TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,\
13Z,16Z,19Z))[iso3] [ C67 H96 O6, db=48.00, overall=24.00, Lipid \
ID=LMGL03012576, KEGG ID= ]", ""}}, {1160.7618, 13.905588, "Meta"} -> 
    {{384131, 493571, 429405}, {"", ""}}, {503.2691, 13.903366, "Meta"} -> 
    {{30965, 34329, 28493}, {"", ""}}, {522.8552, 13.904035, "Meta"} -> 
    {{169127, 148040, 151206}, {"", ""}}, {1001.6842, 13.904192, "Meta"} -> 
    {{148982, 145266, 138825}, {"", ""}}, {511.8639, 13.905617, "Meta"} -> 
    {{41690, 41863, 807769}, {"", ""}}, {544.8687, 13.907429, "Meta"} -> 
    {{221969, 205325, 1}, {"", ""}}, {489.8508, 13.903928, "Meta"} -> 
    {{25157, 1, 25761}, {"", ""}}, {1050.6691, 13.904042, "Meta"} -> 
    {{183161, 150830, 154174}, {"", ""}}, {1040.753, 13.906883, "Meta"} -> 
    {{1, 150554, 144516}, {"", ""}}, {549.3798, 13.901501, "Meta"} -> 
    {{214146, 371719, 147936}, {"", ""}}, {555.8901, 13.907157, "Meta"} -> 
    {{74090, 923660, 80248}, {"", ""}}, {1248.8145, 13.916356, "Meta"} -> 
    {{330608, 337901, 298385}, {"", ""}}, {591.8776, 13.913758, "Meta"} -> 
    {{106358, 100222, 102279}, {"", ""}}, {591.3753, 13.914109, "Meta"} -> 
    {{235021, 220221, 185249}, {"", ""}}, {1172.8337, 13.914706, "Meta"} -> 
    {{1, 278949, 344108}, {"", ""}}, {643.9424, 13.918862, "Meta"} -> 
    {{1, 420221, 402236}, {"", ""}}, {1243.8593, 13.917862, "Meta"} -> 
    {{1030486, 983218, 1006244}, {"", ""}}, {1216.8606, 13.917243, "Meta"} -> 
    {{325575, 345396, 1}, {"", ""}}, {1292.8436, 13.918814, "Meta"} -> 
    {{535580, 233074, 545669}, {"", ""}}, {482.3011, 13.906962, "Meta"} -> 
    {{44841, 24141, 1}, {"", ""}}, {1260.8875, 13.921888, "Meta"} -> 
    {{342981, 297856, 404965}, {"", ""}}, {1336.8698, 13.9245, "Meta"} -> 
    {{204895, 503694, 477584}, {"Ganglioside GA1 (d18:1/24:1(15Z)) [ C68 H124 \
N2 O23, db=60.87, overall=30.44, HMP ID=HMDB04906, KEGG ID= ]", ""}}, 
   {1304.9122, 13.925807, "Meta"} -> {{393850, 334652, 376522}, {"", ""}}, 
   {1309.8685, 13.923631, "Meta"} -> {{1, 623675, 609556}, {"", ""}}, 
   {1331.9117, 13.925688, "Meta"} -> {{826011, 830278, 819316}, {"", ""}}, 
   {1066.7665, 13.906301, "Meta"} -> {{103759, 1, 1}, {"", ""}}, 
   {1348.9387, 13.928513, "Meta"} -> {{347813, 335643, 330127}, {"", ""}}, 
   {1380.8955, 13.928842, "Meta"} -> {{437332, 420137, 392526}, {"", ""}}, 
   {442.2608, 13.933564, "Meta"} -> {{1, 21687, 10887}, {"", ""}}, 
   {1375.9377, 13.930394, "Meta"} -> {{738951, 711279, 701427}, {"", ""}}, 
   {1392.9644, 13.933, "Meta"} -> {{311678, 330539, 307689}, {"", ""}}, 
   {1424.9208, 13.932688, "Meta"} -> {{382285, 367768, 329116}, {"", ""}}, 
   {1419.9648, 13.935295, "Meta"} -> {{690006, 670050, 641380}, {"", ""}}, 
   {344.2923, 13.939112, "Meta"} -> {{73331, 516585, 309328}, 
     {"1-heptadecanoyl-rac-glycerol [ C20 H40 O4, db=98.52, overall=49.26, \
KEGG ID=, CAS ID=68002-72-2 ]", "68002-72-2"}}, 
   {1468.948, 13.937098, "Meta"} -> {{345768, 1, 1}, {"", ""}}, 
   {1436.9904, 13.938028, "Meta"} -> {{285086, 269882, 290793}, {"", ""}}, 
   {1463.9899, 13.9394865, "Meta"} -> {{537531, 530406, 478997}, {"", ""}}, 
   {466.3654, 13.941461, "Meta"} -> {{602250, 565594, 223699}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=76.50, overall=38.25, \
Lipid ID=LMST01030128, KEGG ID= ]", ""}}, {1481.017, 13.942124, "Meta"} -> 
    {{270317, 243486, 258769}, {"", ""}}, {1508.0137, 13.944414, "Meta"} -> 
    {{71303, 1, 440029}, {"", ""}}, {222.1615, 13.993, "Meta"} -> 
    {{1, 383071, 1}, {"", ""}}, {1529.9991, 13.944249, "Meta"} -> 
    {{407349, 377172, 1}, {"", ""}}, {283.2872, 13.950055, "Meta"} -> 
    {{370654, 304634, 340268}, {"Stearamide [ C18 H37 N O, db=99.52, \
overall=49.76, KEGG ID=, CAS ID=124-26-5 ]", "124-26-5"}}, 
   {1525.0424, 13.947517, "Meta"} -> {{262073, 211317, 195395}, {"", ""}}, 
   {386.1755, 13.956785, "Meta"} -> {{33527, 27436, 25747}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=50.71, overall=25.36 ]", ""}}, 
   {1623.0092, 13.9477415, "Meta"} -> {{62495, 115374, 104639}, {"", ""}}, 
   {428.2901, 13.938, "Meta"} -> {{86414, 1, 77078}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=61.60, \
overall=30.80, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {1618.051, 13.949916, "Meta"} -> {{250465, 1, 1}, {"", ""}}, 
   {1569.0697, 13.946124, "Meta"} -> {{167168, 159678, 135656}, {"", ""}}, 
   {467.3376, 13.954553, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {347.2825, 13.963371, "Meta"} -> {{254653, 220133, 180081}, 
     {"(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide [ C22 \
H37 N O2, db=98.13, overall=49.07, KEGG ID=, CAS ID= ]", ""}}, 
   {330.2557, 13.959749, "Meta"} -> {{1, 314466, 1}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=84.17, \
overall=42.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {1662.0767, 13.946449, "Meta"} -> {{193969, 183945, 1}, {"", ""}}, 
   {510.3319, 13.973654, "Meta"} -> {{138286, 63087, 77261}, 
     {"11-(3-acetoxy-1-propynyl)-1alpha,25-dihydroxy-9,11-didehydrovitamin D3 \
/ 11-(3-acetoxy-1-propynyl)-1 [ C32 H46 O5, db=44.65, overall=22.33, Lipid \
ID=LMST03020511, KEGG ID= ]", ""}}, {452.3502, 13.976595, "Meta"} -> 
    {{183650, 181652, 166672}, {"5beta-Cholestane-3alpha,7alpha,12alpha,25,26\
-pentol [ C27 H48 O5, db=62.10, overall=31.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {1657.1215, 13.958542, "Meta"} -> {{1, 129965, 1}, {"", ""}}, 
   {1750.128, 13.9647875, "Meta"} -> {{76477, 95110, 77334}, {"", ""}}, 
   {220.146, 13.986333, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {329.2933, 13.898458, "Meta"} -> {{131175, 45949, 210226}, {"", ""}}, 
   {460.3175, 13.9654, "Meta"} -> {{130321, 115438, 127038}, 
     {"(24R)-1alpha,24,25,26-tetrahydroxyvitamin D2 / \
(24R)-1alpha,24,25,26-tetrahydroxyergocalciferol [ C28 H44 O5, db=68.24, \
overall=34.12, Lipid ID=LMST03010054, KEGG ID= ]", ""}}, 
   {1745.1743, 13.967287, "Meta"} -> {{41611, 54775, 55173}, {"", ""}}, 
   {1701.1473, 13.966741, "Meta"} -> {{106121, 100550, 81581}, {"", ""}}, 
   {402.2765, 13.957289, "Meta"} -> {{62743, 24057, 1}, 
     {"1alpha-hydroxy-26,27-dinorvitamin D3 25-carboxylic acid / \
1alpha-hydroxy-26,27-dinorcholecalciferol [ C25 H38 O4, db=52.81, \
overall=26.41, Lipid ID=LMST03020025, KEGG ID= ]", ""}}, 
   {440.3505, 13.985816, "Meta"} -> {{487903, 55643, 402483}, {"", ""}}, 
   {484.3164, 13.975783, "Meta"} -> {{223573, 176055, 173307}, {"", ""}}, 
   {653.3246, 13.973182, "Meta"} -> {{1, 14212, 1}, {"", ""}}, 
   {334.2482, 13.893001, "Meta"} -> {{1, 368425, 496533}, 
     {"Tetrahydrodeoxycorticosterone [ C21 H34 O3, db=65.74, overall=32.87, \
HMP ID=HMDB00879, KEGG ID= ]", ""}}, {1319.1475, 13.976606, "Meta"} -> 
    {{23788, 21418, 20074}, {"", ""}}, {386.3394, 13.973793, "Meta"} -> 
    {{254923, 295172, 254379}, {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, \
db=89.09, overall=44.55, KEGG ID=, CAS ID= ]", ""}}, 
   {831.6982, 13.975789, "Meta"} -> {{36092, 27264, 23609}, {"", ""}}, 
   {806.668, 13.976223, "Meta"} -> {{293117, 249591, 227880}, {"", ""}}, 
   {866.6982, 13.981547, "Meta"} -> {{24914, 25877, 23831}, {"", ""}}, 
   {354.2087, 13.977749, "Meta"} -> {{444159, 395846, 339070}, {"", ""}}, 
   {224.1773, 13.974033, "Meta"} -> {{21609, 22428, 25612}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=68.79, overall=34.39, \
Lipid ID=, KEGG ID= ]", ""}}, {270.2557, 13.976111, "Meta"} -> 
    {{434686, 415229, 381673}, {"10-methyl-hexadecanoic acid [ C17 H34 O2, \
db=99.62, overall=49.81, Lipid ID=, KEGG ID= ]", ""}}, 
   {1062.9073, 13.976445, "Meta"} -> {{50078, 43580, 35997}, {"", ""}}, 
   {597.4186, 13.975773, "Meta"} -> {{78277, 53480, 40876}, {"", ""}}, 
   {238.2292, 13.975834, "Meta"} -> {{247737, 240461, 210204}, 
     {"cis-11-Hexadecenal [ C16 H30 O, db=98.78, overall=49.39, KEGG ID=, CAS \
ID=53939-28-9 ]", "53939-28-9"}}, {256.2401, 13.976223, "Meta"} -> 
    {{1286893, 1036643, 912441}, {"2-propyl-tridecanoic acid [ C16 H32 O2, \
db=86.75, overall=43.37, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2322, 13.97861, "Meta"} -> {{226435, 209198, 199311}, {"", ""}}, 
   {386.2337, 13.980557, "Meta"} -> {{1, 19852, 1}, 
     {"1-tridecanoyl-sn-glycero-3-phosphate [ C16 H37 N O7 P, db=38.62, \
overall=19.31, KEGG ID=, CAS ID= ]", ""}}, {568.3997, 13.977068, "Meta"} -> 
    {{78336, 66689, 36011}, {"1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phospha\
te (ammonium salt) [ C28 H59 N O8 P, db=52.38, overall=26.19, KEGG ID=, CAS \
ID= ]", ""}}, {374.1813, 13.978594, "Meta"} -> {{38665, 30388, 34093}, 
     {"Glu Asn Leu [ C15 H26 N4 O7, db=57.08, overall=28.54 ]", ""}}, 
   {401.2, 13.978515, "Meta"} -> {{178903, 1, 98107}, {"", ""}}, 
   {429.2065, 13.981425, "Meta"} -> {{69754, 54459, 49977}, {"", ""}}, 
   {444.2765, 13.977774, "Meta"} -> {{43970, 58514, 48661}, {"", ""}}, 
   {610.4531, 13.979807, "Meta"} -> {{257305, 253136, 238399}, {"", ""}}, 
   {897.0775, 13.963102, "Meta"} -> {{30188, 29640, 29208}, {"", ""}}, 
   {420.3661, 13.976656, "Meta"} -> {{37634, 29374, 32437}, {"", ""}}, 
   {294.1873, 13.977543, "Meta"} -> {{55548, 41679, 43852}, 
     {"Sodium tetradecyl sulfate [ C14 H30 O4 S, db=82.16, overall=41.08, \
KEGG ID=, CAS ID=139-88-8 ]", "139-88-8"}}, {556.3739, 13.973735, "Meta"} -> 
    {{348317, 251793, 207604}, {"", ""}}, {540.3787, 13.981038, "Meta"} -> 
    {{381397, 1, 325367}, {"", ""}}, {500.3862, 13.978946, "Meta"} -> 
    {{239971, 238753, 178460}, {"", ""}}, {1838.1816, 13.978887, "Meta"} -> 
    {{47929, 44172, 40806}, {"", ""}}, {273.2666, 13.976639, "Meta"} -> 
    {{68378, 63919, 55197}, {"C16 Sphinganine [ C16 H35 N O2, db=89.23, \
overall=44.61, Lipid ID=LMSP01040001, KEGG ID= ]", ""}}, 
   {370.2578, 13.982139, "Meta"} -> {{74680, 70713, 55830}, {"", ""}}, 
   {470.3612, 13.984445, "Meta"} -> {{354687, 165720, 129304}, {"", ""}}, 
   {307.287, 13.978666, "Meta"} -> {{87979, 91370, 68314}, {"", ""}}, 
   {369.1855, 13.979225, "Meta"} -> {{70553, 49743, 41430}, {"", ""}}, 
   {520.4126, 13.9819145, "Meta"} -> {{634768, 635684, 517296}, {"", ""}}, 
   {560.4047, 13.986311, "Meta"} -> {{414334, 289151, 292098}, {"", ""}}, 
   {685.3513, 13.989969, "Meta"} -> {{1, 18174, 1}, {"", ""}}, 
   {600.436, 13.992064, "Meta"} -> {{167710, 133630, 1}, {"", ""}}, 
   {276.2085, 13.992001, "Meta"} -> {{57086, 43200, 50654}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=76.40, overall=38.20, Lipid \
ID=, KEGG ID= ]", ""}}, {294.2182, 13.990687, "Meta"} -> 
    {{55889, 62571, 45843}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, \
db=70.71, overall=35.35, Lipid ID=, KEGG ID= ]", ""}}, 
   {486.3319, 13.971826, "Meta"} -> {{1, 309626, 275875}, {"", ""}}, 
   {1764.1438, 14.027258, "Meta"} -> {{73388, 65884, 65324}, {"", ""}}, 
   {306.2556, 13.999083, "Meta"} -> {{593305, 435724, 524912}, 
     {"ETrE(11Z, 14Z, 17Z) [ C20 H34 O2, db=67.35, overall=33.67, Lipid \
ID=LMFA01030378, KEGG ID= ]", ""}}, {507.3694, 13.993544, "Meta"} -> 
    {{337019, 700113, 1}, {"", ""}}, {323.2821, 13.996278, "Meta"} -> 
    {{207077, 160536, 161187}, {"(9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-die\
namide [ C20 H37 N O2, db=99.15, overall=49.57, KEGG ID=, CAS ID= ]", ""}}, 
   {490.3655, 14.002969, "Meta"} -> {{447642, 392461, 388024}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=61.55, \
overall=30.77, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {362.1752, 14.002638, "Meta"} -> {{56606, 44840, 43355}, 
     {"Met Gly Arg [ C13 H26 N6 O4 S, db=56.03, overall=28.02 ]", ""}}, 
   {360.2646, 14.006222, "Meta"} -> {{1, 1, 1}, {"1alpha,23-dihydroxy-24,25,2\
6,27-tetranorvitamin D3 / 1alpha,23-dihydroxy-24,25,26,27-tetranorcholeca [ \
C23 H36 O3, db=49.92, overall=24.96, Lipid ID=LMST03020020, KEGG ID= ]", 
      ""}}, {627.5055, 14.012999, "Meta"} -> {{23434, 36621, 22931}, 
     {"", ""}}, {388.2586, 14.0047655, "Meta"} -> 
    {{23278, 1, 19858}, {"7,12-Dioxo-5beta-cholan-24-oic Acid [ C24 H36 O4, \
db=55.81, overall=27.91, Lipid ID=, KEGG ID= ]", ""}}, 
   {472.3551, 13.985233, "Meta"} -> {{1, 67332, 1}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehydro-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=61.77, overall=30.89, Lipid \
ID=LMST03020462, KEGG ID= ]", ""}}, {420.3237, 13.996353, "Meta"} -> 
    {{183539, 81631, 75512}, {"1alpha,2alpha,25-trihydroxy-19-norvitamin D3 / \
1alpha,2alpha,25-trihydroxy-19-norcholecalciferolchol [ C26 H44 O4, db=77.07, \
overall=38.53, Lipid ID=LMST03020547, KEGG ID= ]", ""}}, 
   {512.3477, 14.046452, "Meta"} -> {{668103, 629200, 563681}, 
     {"ZK 159222 [ C32 H48 O5, db=50.94, overall=25.47, Lipid \
ID=LMST03020621, KEGG ID= ]", ""}}, {545.3171, 14.010888, "Meta"} -> 
    {{1, 19962, 1}, {"", ""}}, {469.2862, 14.021042, "Meta"} -> 
    {{30967, 29382, 27009}, {"", ""}}, {259.2508, 14.031133, "Meta"} -> 
    {{1, 20114, 1}, {"", ""}}, {242.2245, 14.033613, "Meta"} -> 
    {{222822, 202599, 251031}, {"Isopentadecylic acid [ C15 H30 O2, db=99.40, \
overall=49.70, KEGG ID=, CAS ID= ]", ""}}, {295.2873, 14.061223, "Meta"} -> 
    {{49419, 128056, 112815}, {"", ""}}, {408.1761, 14.037353, "Meta"} -> 
    {{4605151, 5463286, 3513021}, 
     {"Trp Gly Phe [ C22 H24 N4 O4, db=41.37, overall=20.69 ]", ""}}, 
   {298.2508, 14.035623, "Meta"} -> {{1, 1, 63577}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=71.18, overall=35.59, \
Lipid ID=, KEGG ID= ]", ""}}, {454.3265, 13.978308, "Meta"} -> 
    {{162419, 314308, 166148}, {"GPCho(O-7:0/O-7:0) [ C22 H49 N O6 P, \
db=80.05, overall=40.03, Lipid ID=LMGP01040080, KEGG ID= ]", ""}}, 
   {449.3718, 14.041364, "Meta"} -> {{28284, 72027, 1}, {"", ""}}, 
   {171.108, 14.037002, "Meta"} -> {{534329, 568654, 423310}, {"", ""}}, 
   {353.3292, 14.065957, "Meta"} -> {{1, 1, 1}, {"(Z)-N-(2-hydroxyethyl)icos-\
11-enamide [ C22 H43 N O2, db=53.55, overall=26.77, KEGG ID=, CAS ID= ]", 
      ""}}, {358.3083, 14.061032, "Meta"} -> {{270591, 600913, 1}, 
     {"1-octadecanoyl-rac-glycerol [ C21 H42 O4, db=91.49, overall=45.75, \
KEGG ID=, CAS ID= ]", ""}}, {534.3899, 14.062283, "Meta"} -> 
    {{1666372, 1396184, 2300606}, {"", ""}}, 
   {1218.8057, 14.057057, "Meta"} -> {{619160, 661106, 573248}, {"", ""}}, 
   {642.91, 14.060259, "Meta"} -> {{127480, 1, 113143}, {"", ""}}, 
   {1186.8503, 14.059189, "Meta"} -> {{341495, 1, 305646}, {"", ""}}, 
   {1103.753, 14.057482, "Meta"} -> {{276834, 246123, 230327}, {"", ""}}, 
   {1169.8226, 14.057669, "Meta"} -> {{1004245, 923766, 920293}, {"", ""}}, 
   {1262.8317, 14.057412, "Meta"} -> {{247801, 1, 241144}, 
     {"Ganglioside GM3 (d18:1/24:1(15Z)) [ C65 H118 N2 O21, db=64.86, \
overall=32.43, HMP ID=HMDB04848, KEGG ID= ]", ""}}, 
   {1152.795, 14.05788, "Meta"} -> {{21270, 28586, 1}, {"", ""}}, 
   {1064.743, 14.0559025, "Meta"} -> {{35122, 40642, 305562}, {"", ""}}, 
   {1213.8492, 14.058307, "Meta"} -> {{424611, 435739, 395280}, {"", ""}}, 
   {1020.7168, 14.055375, "Meta"} -> {{345753, 38005, 289475}, {"", ""}}, 
   {507.8499, 14.0589695, "Meta"} -> {{49364, 48153, 43934}, {"", ""}}, 
   {1125.7968, 14.0580015, "Meta"} -> {{417938, 1, 388996}, {"", ""}}, 
   {1108.7697, 14.056641, "Meta"} -> {{31436, 40269, 26760}, {"", ""}}, 
   {485.8368, 14.06136, "Meta"} -> {{21631, 16381, 16427}, {"", ""}}, 
   {1230.8765, 14.069205, "Meta"} -> {{398713, 347583, 349609}, {"", ""}}, 
   {1306.8593, 14.060386, "Meta"} -> {{661555, 615674, 592676}, {"", ""}}, 
   {1318.9282, 14.062551, "Meta"} -> {{459712, 443713, 426798}, {"", ""}}, 
   {1257.8752, 14.0591755, "Meta"} -> {{206933, 202230, 1}, {"", ""}}, 
   {1037.7437, 14.060363, "Meta"} -> {{281354, 332943, 283855}, {"", ""}}, 
   {1054.7722, 14.059851, "Meta"} -> {{94868, 1, 1}, {"", ""}}, 
   {1350.8864, 14.060532, "Meta"} -> {{570249, 114411, 161356}, {"", ""}}, 
   {1362.9545, 14.064612, "Meta"} -> {{454032, 412231, 409370}, {"", ""}}, 
   {1389.9536, 14.06309, "Meta"} -> {{907358, 892335, 859240}, {"", ""}}, 
   {1142.8239, 14.061389, "Meta"} -> {{251280, 223847, 258638}, {"", ""}}, 
   {976.6912, 14.068707, "Meta"} -> {{295097, 287252, 249466}, {"", ""}}, 
   {422.375, 14.068999, "Meta"} -> {{21673, 25691, 21918}, {"", ""}}, 
   {993.7174, 14.063914, "Meta"} -> {{280419, 261585, 274466}, {"", ""}}, 
   {1438.9374, 14.065999, "Meta"} -> {{128409, 402340, 384093}, {"", ""}}, 
   {1433.9799, 14.066055, "Meta"} -> {{763066, 794180, 765750}, {"", ""}}, 
   {949.6916, 14.066196, "Meta"} -> {{191438, 188692, 176607}, {"", ""}}, 
   {1451.0062, 14.068264, "Meta"} -> {{416060, 389994, 424401}, {"", ""}}, 
   {932.6646, 14.065879, "Meta"} -> {{196165, 200082, 21646}, {"", ""}}, 
   {470.2924, 14.073814, "Meta"} -> {{74282, 68194, 87926}, {"", ""}}, 
   {905.6649, 14.069608, "Meta"} -> {{139784, 121992, 130663}, {"", ""}}, 
   {1522.0323, 14.071529, "Meta"} -> {{123544, 93913, 567292}, {"", ""}}, 
   {888.6409, 14.076768, "Meta"} -> {{159882, 122430, 118848}, {"", ""}}, 
   {1482.9642, 14.067459, "Meta"} -> {{394095, 388475, 33101}, {"", ""}}, 
   {1174.7784, 14.05864, "Meta"} -> {{368751, 413292, 66733}, {"", ""}}, 
   {1526.9904, 14.071257, "Meta"} -> {{22814, 52420, 53045}, {"", ""}}, 
   {1495.0323, 14.071646, "Meta"} -> {{375917, 352933, 368825}, {"", ""}}, 
   {861.6387, 14.075389, "Meta"} -> {{56739, 56506, 53553}, {"", ""}}, 
   {405.3454, 14.078472, "Meta"} -> {{26833, 21408, 1}, {"", ""}}, 
   {316.2402, 14.079582, "Meta"} -> {{2649828, 2962716, 2326223}, 
     {"pregnenolone [ C21 H32 O2, db=98.88, overall=49.44, KEGG ID=, CAS \
ID=1852-38-6 ]", "1852-38-6"}}, {376.2724, 14.080198, "Meta"} -> 
    {{451171, 545866, 454527}, {"", ""}}, {284.2138, 14.07936, "Meta"} -> 
    {{38994, 43301, 33898}, {"11-cis-Retinaldehyde [ C20 H28 O, db=83.12, \
overall=41.56, HMP ID=HMDB02152, KEGG ID= ]", ""}}, 
   {333.2666, 14.079747, "Meta"} -> {{2247032, 2215616, 1930766}, {"", ""}}, 
   {805.0406, 14.07626, "Meta"} -> {{38115, 1, 1}, {"", ""}}, 
   {529.4339, 14.081344, "Meta"} -> {{78259, 75112, 52513}, {"", ""}}, 
   {1632.0676, 14.078387, "Meta"} -> {{358106, 385394, 364403}, {"", ""}}, 
   {1583.085, 14.078301, "Meta"} -> {{288777, 1, 275976}, {"", ""}}, 
   {1627.1108, 14.078733, "Meta"} -> {{245312, 207239, 214821}, {"", ""}}, 
   {1676.0933, 14.06074, "Meta"} -> {{264477, 246355, 237100}, {"", ""}}, 
   {1715.1598, 14.067248, "Meta"} -> {{154452, 44955, 148641}, {"", ""}}, 
   {948.6653, 14.082221, "Meta"} -> {{1, 61972, 60797}, {"", ""}}, 
   {264.2448, 14.087555, "Meta"} -> {{102819, 91868, 85984}, 
     {"9,12-octadecadienal [ C18 H32 O, db=69.08, overall=34.54, Lipid ID=, \
KEGG ID= ]", ""}}, {1813.1312, 14.077153, "Meta"} -> 
    {{69282, 1, 72814}, {"", ""}}, {546.5012, 14.088577, "Meta"} -> 
    {{32333, 1, 24178}, {"", ""}}, {367.1936, 14.089778, "Meta"} -> 
    {{76909, 51160, 42784}, {"N-Desethylquinagolide [ C18 H29 N3 O3 S, \
db=63.48, overall=31.74, KEGG ID=, CAS ID= ]", ""}}, 
   {602.4589, 14.089057, "Meta"} -> {{815674, 653636, 687207}, {"", ""}}, 
   {1808.1718, 14.068594, "Meta"} -> {{124215, 112820, 101775}, {"", ""}}, 
   {884.7153, 14.088696, "Meta"} -> {{262753, 202320, 197480}, {"", ""}}, 
   {380.2247, 14.088887, "Meta"} -> {{703880, 615445, 624381}, {"", ""}}, 
   {282.2564, 14.088139, "Meta"} -> {{3011333, 2715182, 2633095}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=98.70, overall=49.35, Lipid \
ID=LMFA01030065, KEGG ID= ]", ""}}, {486.3322, 14.0887165, "Meta"} -> 
    {{883443, 791448, 788079}, {"", ""}}, {868.7374, 14.088824, "Meta"} -> 
    {{50223, 38783, 38093}, {"", ""}}, {299.2823, 14.088805, "Meta"} -> 
    {{458959, 379262, 389713}, {"3-Dehydrosphinganine [ C18 H37 N O2, \
db=99.55, overall=49.78, KEGG ID=C02934, CAS ID=16105-69-4 ]", 
      "16105-69-4"}}, {338.1754, 14.0895, "Meta"} -> 
    {{158704, 1, 96445}, {"2,3-Dinor-6,15-diketo-13,14-dihydro-PGF1a [ C18 \
H26 O6, db=42.53, overall=21.26, KEGG ID=, CAS ID= ]", ""}}, 
   {586.4805, 14.089943, "Meta"} -> {{58854, 44280, 218068}, 
     {"3',4'-Dihydrorhodovibrin [ C41 H62 O2, db=20.76, overall=10.38, Lipid \
ID=LMPR01070139, KEGG ID= ]", ""}}, {440.2498, 14.08963, "Meta"} -> 
    {{110796, 1, 1}, {"", ""}}, {404.1936, 14.090585, "Meta"} -> 
    {{56257, 1, 39714}, 
     {"Lys Glu Glu [ C16 H28 N4 O8, db=45.07, overall=22.53 ]", ""}}, 
   {398.202, 14.090389, "Meta"} -> {{187387, 157615, 143183}, 
     {"His Arg Ser [ C15 H26 N8 O5, db=43.07, overall=21.53 ]", ""}}, 
   {395.1929, 14.089863, "Meta"} -> {{245903, 162194, 158724}, {"", ""}}, 
   {1720.1184, 14.061962, "Meta"} -> {{263166, 63566, 1}, {"", ""}}, 
   {434.3862, 14.09189, "Meta"} -> {{76849, 76117, 60680}, {"", ""}}, 
   {320.2035, 14.088819, "Meta"} -> {{1, 85627, 82270}, {"", ""}}, 
   {357.2667, 14.066502, "Meta"} -> {{42503, 30193, 1}, {"", ""}}, 
   {1803.2148, 14.080516, "Meta"} -> {{71844, 87978, 79430}, {"", ""}}, 
   {1847.2441, 14.088383, "Meta"} -> {{1, 47303, 59812}, {"", ""}}, 
   {1852.1967, 14.0926, "Meta"} -> {{1, 96193, 1}, {"", ""}}, 
   {1896.2227, 14.094833, "Meta"} -> {{85790, 56183, 36967}, {"", ""}}, 
   {662.4873, 14.106453, "Meta"} -> {{182131, 164870, 1}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaeno\
yl)-sn-glycerol [ C43 H66 O5, db=68.73, overall=34.37, KEGG ID=, CAS ID= ]", 
      ""}}, {498.3687, 14.089807, "Meta"} -> {{1, 44467, 54067}, 
     {"(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a,24\
b,24c-trihomo-20-epivitamin D3 [ C32 H50 O4, db=49.58, overall=24.79, Lipid \
ID=LMST03020516, KEGG ID= ]", ""}}, {509.3843, 14.0923605, "Meta"} -> 
    {{919091, 1029739, 734811}, {"", ""}}, {466.3657, 14.105546, "Meta"} -> 
    {{1303768, 974710, 952887}, {"6alpha-Hydroxycastasterone [ C28 H50 O5, \
db=82.12, overall=41.06, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {292.2399, 14.107418, "Meta"} -> {{353078, 397712, 319552}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=85.29, overall=42.65, \
HMP ID=HMDB00412, KEGG ID= ]", ""}}, {580.4317, 14.10757, "Meta"} -> 
    {{169557, 91343, 167142}, {"GPCho(O-18:0/4:0) [ C30 H63 N O7 P, db=63.24, \
overall=31.62, Lipid ID=LMGP01020116, KEGG ID= ]", ""}}, 
   {352.2723, 14.1108885, "Meta"} -> {{148025, 184839, 151830}, {"", ""}}, 
   {309.2668, 14.111446, "Meta"} -> {{642012, 617194, 551870}, 
     {"Dicyclomine [ C19 H35 N O2, db=99.35, overall=49.67, KEGG ID=C06951, \
CAS ID=77-19-0 ]", "77-19-0"}}, {222.1617, 14.1038265, "Meta"} -> 
    {{755072, 231532, 375021}, {"", ""}}, {960.7672, 14.101361, "Meta"} -> 
    {{39194, 63453, 43274}, {"", ""}}, {499.2963, 14.121678, "Meta"} -> 
    {{137330, 139898, 162594}, {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, \
db=89.57, overall=44.79, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {484.378, 14.105919, "Meta"} -> {{1, 41340, 1}, {"", ""}}, 
   {420.3042, 14.12719, "Meta"} -> {{1, 82904, 1}, {"3D,7D,11D-Phytanic acid \
[ C29 H40 O2, db=55.51, overall=27.76, HMP ID=HMDB00417, KEGG ID= ]", ""}}, 
   {696.4838, 14.114749, "Meta"} -> {{58765, 54324, 29137}, {"", ""}}, 
   {514.423, 14.141911, "Meta"} -> {{337434, 264484, 200046}, {"", ""}}, 
   {678.511, 14.121193, "Meta"} -> {{89446, 112359, 98571}, 
     {"GPCho(14:0/14:0[U]) [ C36 H73 N O8 P, db=73.61, overall=36.81, Lipid \
ID=LMGP01010478, KEGG ID= ]", ""}}, {895.5533, 14.136167, "Meta"} -> 
    {{1, 61463, 1}, {"", ""}}, {422.34, 14.145611, "Meta"} -> 
    {{143881, 538305, 473779}, {"", ""}}, {340.298, 14.148811, "Meta"} -> 
    {{1, 578752, 372338}, {"20-oxo-heneicosanoic acid [ C21 H40 O3, db=96.35, \
overall=48.18, Lipid ID=, KEGG ID= ]", ""}}, {352.334, 14.145808, "Meta"} -> 
    {{63243, 54900, 51679}, {"14Z-tricosenoic acid [ C23 H44 O2, db=81.01, \
overall=40.50, Lipid ID=, KEGG ID= ]", ""}}, 
   {1036.8195, 14.135778, "Meta"} -> {{20517, 62919, 33156}, {"", ""}}, 
   {741.6305, 14.144343, "Meta"} -> {{1, 168149, 81266}, {"", ""}}, 
   {384.3049, 14.142907, "Meta"} -> {{129586, 39096, 87574}, {"", ""}}, 
   {403.3659, 14.148665, "Meta"} -> {{37993, 103857, 52329}, {"", ""}}, 
   {772.5821, 14.131801, "Meta"} -> {{30474, 67567, 42115}, 
     {"GPCho(16:0/19:2(9Z,12Z)[U]) [ C43 H83 N O8 P, db=73.13, overall=36.57, \
Lipid ID=LMGP01010610, KEGG ID= ]", ""}}, {764.5958, 14.144802, "Meta"} -> 
    {{37852, 85907, 50781}, {"", ""}}, {1054.792, 14.132248, "Meta"} -> 
    {{1, 32839, 22133}, {"", ""}}, {266.2608, 14.148749, "Meta"} -> 
    {{47312, 98449, 69181}, {"3E,13Z-octadecadien-1-ol [ C18 H34 O, db=97.90, \
overall=48.95, Lipid ID=, KEGG ID= ]", ""}}, {375.3339, 14.148222, "Meta"} -> 
    {{849548, 1752050, 1213832}, {"", ""}}, {358.3078, 14.148471, "Meta"} -> 
    {{5157220, 1.19*^7, 7660807}, {"1-octadecanoyl-rac-glycerol [ C21 H42 O4, \
db=98.40, overall=49.20, KEGG ID=, CAS ID= ]", ""}}, 
   {418.3406, 14.1476965, "Meta"} -> {{268358, 601173, 429346}, 
     {"1alpha,25-dihydroxy-2alpha-methyl-19-norvitamin D3 / \
1alpha,25-dihydroxy-2alpha-methyl-19-norcholeca [ C27 H46 O3, db=67.02, \
overall=33.51, Lipid ID=LMST03020553, KEGG ID= ]", ""}}, 
   {639.5801, 14.147194, "Meta"} -> {{25407, 232788, 167493}, {"", ""}}, 
   {1200.9023, 14.160806, "Meta"} -> {{1, 22658, 11879}, {"", ""}}, 
   {1112.877, 14.148324, "Meta"} -> {{1, 160427, 15189}, {"", ""}}, 
   {814.5844, 14.151257, "Meta"} -> {{1, 95197, 44990}, {"", ""}}, 
   {769.529, 14.1481085, "Meta"} -> {{1, 94492, 1}, {"", ""}}, 
   {1471.1823, 14.148783, "Meta"} -> {{1, 51799, 9858}, {"", ""}}, 
   {343.3194, 14.142917, "Meta"} -> {{153349, 234681, 186518}, {"", ""}}, 
   {527.2676, 14.149583, "Meta"} -> {{33001, 60313, 32181}, {"", ""}}, 
   {456.2764, 14.150944, "Meta"} -> {{266433, 344490, 296182}, {"", ""}}, 
   {480.2429, 14.151414, "Meta"} -> {{1, 24361, 11897}, {"", ""}}, 
   {389.3503, 14.147706, "Meta"} -> {{38067, 44808, 1}, {"", ""}}, 
   {424.2965, 14.153561, "Meta"} -> {{81624, 40795, 83079}, 
     {"(22E,24E,26E)-1alpha,26b-dihydroxy-22,23,24,25,26,26a-hexadehydro-26a,\
26b-dihomo-27-norvitamin D3 / [ C28 H40 O3, db=44.45, overall=22.22, Lipid \
ID=LMST03020312, KEGG ID= ]", ""}}, {454.3656, 14.155731, "Meta"} -> 
    {{254079, 1, 1}, {"", ""}}, {564.5589, 14.166798, "Meta"} -> 
    {{19197, 22807, 1}, {"", ""}}, {426.327, 14.133777, "Meta"} -> 
    {{56320, 56359, 49774}, {"", ""}}, {846.402, 14.16888, "Meta"} -> 
    {{62201, 123422, 80580}, {"", ""}}, {934.6778, 14.200471, "Meta"} -> 
    {{1, 38818, 1}, {"", ""}}, {466.1108, 14.175235, "Meta"} -> 
    {{1656790, 1532566, 1133503}, {"", ""}}, {285.267, 14.18239, "Meta"} -> 
    {{235455, 265676, 196459}, {"C17 Sphingosine [ C17 H35 N O2, db=93.80, \
overall=46.90, Lipid ID=LMSP01040002, KEGG ID= ]", ""}}, 
   {436.3163, 14.176588, "Meta"} -> {{34640, 41819, 1}, 
     {"4,4-difluoro-1alpha-hydroxyvitamin D3 / \
4,4-difluoro-1alpha-hydroxycholecalciferol [ C27 H42 F2 O2, db=84.08, \
overall=42.04, Lipid ID=LMST03020138, KEGG ID= ]", ""}}, 
   {268.24, 14.176917, "Meta"} -> {{482664, 1077455, 794202}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=92.99, overall=46.49, Lipid \
ID=LMFA01030060, KEGG ID= ]", ""}}, {446.3394, 14.189685, "Meta"} -> 
    {{2073633, 1831432, 1861131}, {"1alpha,25-dihydroxy-11beta-methoxyvitamin \
D3 / 1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, \
db=80.19, overall=40.09, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {398.3198, 14.172886, "Meta"} -> {{43343, 33373, 32892}, 
     {"(22Z)-1beta-hydroxy-22,23-didehydrovitamin D_3 / \
(22Z)-1beta-hydroxy-22,23-didehydrocholecalciferol [ C27 H42 O2, db=77.14, \
overall=38.57, Lipid ID=LMST03020151, KEGG ID= ]", ""}}, 
   {434.2678, 14.188435, "Meta"} -> {{186337, 165732, 160055}, 
     {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, db=84.90, overall=42.45, \
KEGG ID=, CAS ID=114883-29-3 ]", "114883-29-3"}}, 
   {1364.8975, 14.194389, "Meta"} -> {{517690, 482603, 453796}, 
     {"Ganglioside GA1 (d18:1/26:1(17Z)) [ C70 H128 N2 O23, db=75.48, \
overall=37.74, HMP ID=HMDB04907, KEGG ID= ]", ""}}, 
   {1447.9952, 14.192001, "Meta"} -> {{773843, 731086, 736150}, {"", ""}}, 
   {1492.0217, 14.194573, "Meta"} -> {{725919, 729265, 705841}, {"", ""}}, 
   {412.2971, 14.195, "Meta"} -> {{98843, 146298, 107848}, 
     {"Calcipotriene [ C27 H40 O3, db=80.60, overall=40.30, KEGG ID=, CAS \
ID=112965-21-6 ]", "112965-21-6"}}, {1496.9803, 14.19325, "Meta"} -> 
    {{386500, 344285, 87198}, {"", ""}}, {1420.9965, 14.197917, "Meta"} -> 
    {{332669, 379410, 345375}, {"", ""}}, {1624.1003, 14.197062, "Meta"} -> 
    {{46912, 46333, 451305}, {"", ""}}, {1817.2332, 14.199793, "Meta"} -> 
    {{80201, 68115, 77929}, {"", ""}}, {1597.101, 14.198148, "Meta"} -> 
    {{296047, 277256, 288406}, {"", ""}}, {1408.9271, 14.194473, "Meta"} -> 
    {{492533, 466605, 137052}, {"", ""}}, {1861.258, 14.196594, "Meta"} -> 
    {{86109, 1, 82447}, {"", ""}}, {1403.9694, 14.194972, "Meta"} -> 
    {{816749, 817336, 790307}, {"", ""}}, {1452.9532, 14.194514, "Meta"} -> 
    {{50684, 418626, 405387}, {"", ""}}, {1509.0479, 14.196716, "Meta"} -> 
    {{365823, 337897, 334900}, {"", ""}}, {1465.0219, 14.194402, "Meta"} -> 
    {{366480, 358426, 365895}, {"", ""}}, {1553.0742, 14.197194, "Meta"} -> 
    {{303772, 297375, 337688}, {"", ""}}, {1562.9896, 14.198364, "Meta"} -> 
    {{343076, 283510, 269082}, {"", ""}}, {1536.0472, 14.194414, "Meta"} -> 
    {{86886, 598166, 579840}, {"", ""}}, {1376.9705, 14.195032, "Meta"} -> 
    {{360333, 388562, 376818}, {"", ""}}, {1602.0566, 14.198463, "Meta"} -> 
    {{1, 440688, 415409}, {"", ""}}, {1729.1761, 14.185585, "Meta"} -> 
    {{121509, 188048, 1}, {"", ""}}, {1695.0688, 14.195794, "Meta"} -> 
    {{208651, 179713, 24544}, {"", ""}}, {1734.1353, 14.190585, "Meta"} -> 
    {{1, 282909, 227422}, {"", ""}}, {1783.1184, 14.192629, "Meta"} -> 
    {{1, 101045, 118259}, {"", ""}}, {649.9173, 14.20141, "Meta"} -> 
    {{1, 87101, 87706}, {"", ""}}, {484.2849, 14.207409, "Meta"} -> 
    {{1, 75811, 77588}, {"GPGro(16:0/0:0)[U] [ C22 H45 O9 P, db=38.98, \
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   {1822.1873, 14.202721, "Meta"} -> {{149263, 104872, 139244}, {"", ""}}, 
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   {1276.8481, 14.198558, "Meta"} -> {{210935, 236885, 204379}, {"", ""}}, 
   {1288.9185, 14.196689, "Meta"} -> {{301877, 296620, 300701}, {"", ""}}, 
   {1871.1737, 14.199768, "Meta"} -> {{1, 1, 35653}, {"", ""}}, 
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   {1139.8115, 14.206183, "Meta"} -> {{235898, 429327, 420982}, {"", ""}}, 
   {406.3804, 14.209417, "Meta"} -> {{29399, 28711, 26191}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=79.02, \
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    {{168489, 159205, 121902}, {"", ""}}, {488.3482, 14.211999, "Meta"} -> 
    {{394207, 385772, 383235}, {"", ""}}, {1100.7411, 14.209909, "Meta"} -> 
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    {{1, 1, 415300}, {"", ""}}, {328.3451, 14.2168, "Meta"} -> 
    {{58750, 40221, 29884}, {"", ""}}, {283.2869, 14.21733, "Meta"} -> 
    {{2102550, 1475372, 967136}, {"Stearamide [ C18 H37 N O, db=96.78, \
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   {431.3039, 14.195275, "Meta"} -> {{274108, 198107, 97085}, {"", ""}}, 
   {1051.7598, 14.215641, "Meta"} -> {{155851, 144012, 151318}, {"", ""}}, 
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   {1022.7088, 14.223097, "Meta"} -> {{48702, 41826, 51085}, {"", ""}}, 
   {422.3747, 14.206687, "Meta"} -> {{20514, 19419, 45271}, {"", ""}}, 
   {1007.7326, 14.221612, "Meta"} -> {{88985, 114507, 97024}, {"", ""}}, 
   {518.3967, 14.2736025, "Meta"} -> {{1309410, 309589, 306233}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=61.50, \
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   {1885.1884, 14.293885, "Meta"} -> {{90952, 51638, 31673}, {"", ""}}, 
   {325.2996, 14.210102, "Meta"} -> {{22857, 1, 12608}, 
     {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, db=43.24, overall=21.62, \
KEGG ID=, CAS ID= ]", ""}}, {612.4955, 14.216895, "Meta"} -> 
    {{193822, 1, 245021}, {"", ""}}, {624.5072, 14.226657, "Meta"} -> 
    {{80868, 216714, 172227}, {"", ""}}, {538.3636, 14.237194, "Meta"} -> 
    {{352062, 335172, 288952}, {"", ""}}, {308.2716, 14.231286, "Meta"} -> 
    {{53097, 47893, 42328}, {"5,11-Eicosadienoic acid [ C20 H36 O2, db=81.25, \
overall=40.62, Lipid ID=, KEGG ID= ]", ""}}, {278.2241, 14.218176, "Meta"} -> 
    {{147279, 134543, 128320}, {"beta-eleostearic acid [ C18 H30 O2, \
db=83.37, overall=41.68, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {963.7065, 14.228668, "Meta"} -> {{50378, 48360, 48560}, {"", ""}}, 
   {369.3356, 14.230916, "Meta"} -> {{120104, 153187, 120701}, {"", ""}}, 
   {309.3033, 14.23247, "Meta"} -> {{433069, 513603, 452466}, {"", ""}}, 
   {538.4231, 14.239277, "Meta"} -> {{1014758, 883155, 835034}, 
     {"GPCho(O-16:0/O-4:0[U]) [ C28 H61 N O6 P, db=76.53, overall=38.26, \
Lipid ID=LMGP01040044, KEGG ID= ]", ""}}, {520.413, 14.242222, "Meta"} -> 
    {{1889611, 1740500, 1739183}, {"", ""}}, {647.3629, 14.24356, "Meta"} -> 
    {{1, 31194, 1}, {"", ""}}, {591.3425, 14.248113, "Meta"} -> 
    {{81822, 1, 58886}, {"", ""}}, {636.3988, 14.250115, "Meta"} -> 
    {{1, 85984, 85599}, {"", ""}}, {1098.8239, 14.252852, "Meta"} -> 
    {{182499, 108035, 1}, {"", ""}}, {594.3456, 14.25331, "Meta"} -> 
    {{98313, 79175, 83659}, {"L-Urobilin [ C33 H46 N4 O6, db=35.51, \
overall=17.75, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {256.24, 14.260359, "Meta"} -> {{25312, 49043, 47481}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=78.64, overall=39.32, Lipid \
ID=, KEGG ID= ]", ""}}, {387.3139, 14.260241, "Meta"} -> 
    {{1, 50007, 46959}, {"", ""}}, {373.2977, 14.262173, "Meta"} -> 
    {{68457, 59558, 48518}, {"Arachidonoylmorpholine [ C24 H39 N O2, \
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   {227.1883, 14.25888, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {310.2297, 14.267167, "Meta"} -> {{1, 60199, 1}, 
     {"Desogestrel [ C22 H30 O, db=87.12, overall=43.56, KEGG ID=, CAS \
ID=54024-22-5 ]", "54024-22-5"}}, {402.2882, 14.268779, "Meta"} -> 
    {{791594, 970495, 696681}, {"", ""}}, {359.2815, 14.267722, "Meta"} -> 
    {{5580751, 6072195, 5015571}, {"", ""}}, {272.1768, 14.267366, "Meta"} -> 
    {{14275, 1, 1}, {"5,8,11-octadecatriynoic acid [ C18 H24 O2, db=55.08, \
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    {{31560, 1, 1}, {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=62.19, \
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    {{37252, 40185, 28512}, {"", ""}}, {458.1971, 14.265822, "Meta"} -> 
    {{16231, 17718, 11429}, {"", ""}}, {722.4598, 14.266535, "Meta"} -> 
    {{9368, 1, 1}, {"", ""}}, {698.4571, 14.2792225, "Meta"} -> 
    {{25904, 26341, 22624}, {"", ""}}, {1016.7246, 14.284067, "Meta"} -> 
    {{38934, 66253, 1}, {"", ""}}, {234.1617, 14.2904, "Meta"} -> 
    {{33536, 44280, 44936}, {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9\
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   {416.2236, 14.286627, "Meta"} -> {{75583, 69622, 57444}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=73.66, \
overall=36.83, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {134.1094, 14.287377, "Meta"} -> {{121143, 119754, 119326}, 
     {"p-Cymene [ C10 H14, db=86.48, overall=43.24, Lipid ID=LMPR01020045, \
KEGG ID=C06575 ]", ""}}, {349.2979, 14.288562, "Meta"} -> 
    {{64124, 61822, 60233}, {"Anandamide (20:3, n-3) [ C22 H39 N O2, \
db=74.63, overall=37.32, Lipid ID=LMFA08040005, KEGG ID= ]", ""}}, 
   {378.288, 14.29039, "Meta"} -> {{628597, 768569, 637428}, {"", ""}}, 
   {1116.8062, 14.30288, "Meta"} -> {{170296, 141644, 112106}, {"", ""}}, 
   {286.2294, 14.290941, "Meta"} -> {{284780, 316555, 277067}, 
     {"11-cis-Retinol [ C20 H30 O, db=99.50, overall=49.75, Lipid \
ID=LMPR01090005, KEGG ID=C00899 ]", ""}}, {318.255, 14.292167, "Meta"} -> 
    {{1.05*^7, 3874510, 3101452}, {"Allopregnanolone [ C21 H34 O2, db=64.02, \
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   {1310.9695, 14.290519, "Meta"} -> {{18483, 10726, 14297}, {"", ""}}, 
   {434.1969, 14.290781, "Meta"} -> {{31877, 28309, 19938}, 
     {"Trp Met Val [ C21 H30 N4 O4 S, db=56.25, overall=28.12 ]", ""}}, 
   {335.2815, 14.294109, "Meta"} -> {{5980633, 6535236, 6383214}, {"", ""}}, 
   {468.3816, 14.297306, "Meta"} -> {{4109105, 2196703, 2066174}, {"", ""}}, 
   {1044.7502, 14.296883, "Meta"} -> {{133227, 100922, 124920}, {"", ""}}, 
   {674.4608, 14.296427, "Meta"} -> {{36060, 33745, 32236}, {"", ""}}, 
   {1022.7092, 14.298482, "Meta"} -> {{65605, 140097, 116625}, {"", ""}}, 
   {1963.3293, 14.298726, "Meta"} -> {{25766, 29189, 47639}, {"", ""}}, 
   {577.3202, 14.3007145, "Meta"} -> {{34197, 24977, 26906}, 
     {"dihydro-alpha-ergocryptine [ C32 H43 N5 O5, db=34.25, overall=17.13, \
KEGG ID=, CAS ID= ]", ""}}, {1028.7731, 14.29594, "Meta"} -> 
    {{37869, 42070, 56513}, {"TG(22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z\
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Lipid ID=LMGL03012602, KEGG ID= ]", ""}}, {468.3218, 14.263261, "Meta"} -> 
    {{200761, 213056, 209265}, {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl\
)-9,11-didehydrovitamin D3 / 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, \
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   {1880.2303, 14.295215, "Meta"} -> {{162859, 138905, 129552}, {"", ""}}, 
   {562.4212, 14.302342, "Meta"} -> {{2771325, 2409926, 3260224}, {"", ""}}, 
   {952.666, 14.2989645, "Meta"} -> {{48816, 33201, 32575}, {"", ""}}, 
   {366.3494, 14.30147, "Meta"} -> {{1, 15356, 14940}, 
     {"Nervonic acid [ C24 H46 O2, db=79.78, overall=39.89, KEGG ID=, CAS \
ID=506-37-6 ]", "506-37-6"}}, {484.287, 14.291407, "Meta"} -> 
    {{48372, 49814, 48993}, {"", ""}}, {661.7696, 14.304938, "Meta"} -> 
    {{43933, 60599, 59065}, {"", ""}}, {1836.2034, 14.306453, "Meta"} -> 
    {{152306, 197743, 1}, {"", ""}}, {634.0719, 14.305877, "Meta"} -> 
    {{36971, 49292, 33832}, {"", ""}}, {603.0685, 14.306771, "Meta"} -> 
    {{66802, 56140, 52094}, {"", ""}}, {604.7206, 14.3060255, "Meta"} -> 
    {{45653, 45912, 35664}, {"", ""}}, {1748.1512, 14.302379, "Meta"} -> 
    {{271634, 316656, 266498}, {"", ""}}, {573.7178, 14.306849, "Meta"} -> 
    {{50024, 48369, 44255}, {"", ""}}, {1792.1765, 14.2968, "Meta"} -> 
    {{212868, 223643, 211768}, {"", ""}}, {60.0325, 14.311346, "Meta"} -> 
    {{1, 1, 1}, {"Urea [ C H4 N2 O, db=87.29, overall=43.65, KEGG ID=C00086, \
CAS ID=57-13-6 ]", "57-13-6"}}, {968.7169, 14.309335, "Meta"} -> 
    {{57213, 46224, 52584}, {"", ""}}, {1787.222, 14.30246, "Meta"} -> 
    {{140930, 1, 166463}, {"", ""}}, {559.0424, 14.307241, "Meta"} -> 
    {{42365, 1, 40428}, {"", ""}}, {590.0455, 14.306272, "Meta"} -> 
    {{41884, 40470, 33358}, {"", ""}}, {1831.2483, 14.304244, "Meta"} -> 
    {{111315, 118044, 1}, {"", ""}}, {1743.1947, 14.307287, "Meta"} -> 
    {{208347, 187993, 203877}, {"", ""}}, {647.0946, 14.304667, "Meta"} -> 
    {{58349, 60742, 63798}, {"", ""}}, {1699.1694, 14.298276, "Meta"} -> 
    {{227428, 201955, 245262}, {"", ""}}, {630.768, 14.307372, "Meta"} -> 
    {{68546, 66192, 1}, {"", ""}}, {1665.057, 14.310457, "Meta"} -> 
    {{246301, 201653, 233899}, {"", ""}}, {2012.3074, 14.281552, "Meta"} -> 
    {{87413, 77227, 34498}, {"", ""}}, {1924.2563, 14.306934, "Meta"} -> 
    {{67592, 1, 1}, {"", ""}}, {1616.0728, 14.3115015, "Meta"} -> 
    {{448503, 1, 424618}, {"", ""}}, {1875.2738, 14.2969675, "Meta"} -> 
    {{76900, 77583, 91846}, {"", ""}}, {1550.0645, 14.311656, "Meta"} -> 
    {{45171, 560089, 53047}, {"", ""}}, {648.7473, 14.305516, "Meta"} -> 
    {{43993, 50494, 41049}, {"", ""}}, {1523.0645, 14.315276, "Meta"} -> 
    {{335396, 326848, 365652}, {"", ""}}, {1506.0385, 14.314786, "Meta"} -> 
    {{608620, 51343, 1}, {"", ""}}, {1462.0117, 14.3143835, "Meta"} -> 
    {{1, 613623, 69365}, {"", ""}}, {298.2506, 14.321658, "Meta"} -> 
    {{130551, 113100, 124505}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=73.00, overall=36.50, Lipid ID=, KEGG ID= ]", ""}}, 
   {650.4595, 14.318721, "Meta"} -> {{28156, 25163, 18837}, {"", ""}}, 
   {1435.0125, 14.319297, "Meta"} -> {{342965, 342635, 1}, {"", ""}}, 
   {152.1198, 14.325621, "Meta"} -> {{25514, 20250, 1}, 
     {"Limonene-1,2-epoxide [ C10 H16 O, db=71.21, overall=35.61, Lipid \
ID=LMPR01020046, KEGG ID=C07271 ]", ""}}, {1417.9856, 14.31611, "Meta"} -> 
    {{1, 85002, 582187}, {"", ""}}, {596.3593, 14.318885, "Meta"} -> 
    {{161814, 127373, 103724}, {"", ""}}, {1373.9594, 14.321887, "Meta"} -> 
    {{620340, 87668, 564370}, {"", ""}}, {944.712, 14.3222, "Meta"} -> 
    {{77825, 86664, 70606}, {"", ""}}, {196.1459, 14.323223, "Meta"} -> 
    {{16555, 18154, 1}, {"4-dodecynoic acid [ C12 H20 O2, db=55.50, \
overall=27.75, Lipid ID=, KEGG ID= ]", ""}}, 
   {1329.9312, 14.326601, "Meta"} -> {{565979, 567883, 529364}, {"", ""}}, 
   {1346.9602, 14.32572, "Meta"} -> {{273882, 288883, 324489}, {"", ""}}, 
   {626.4591, 14.3310995, "Meta"} -> {{593188, 101544, 1}, {"", ""}}, 
   {244.2189, 14.325999, "Meta"} -> {{76622, 92295, 80666}, {"", ""}}, 
   {325.2979, 14.328285, "Meta"} -> {{33565, 36505, 29929}, 
     {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, db=68.35, overall=34.18, \
KEGG ID=, CAS ID= ]", ""}}, {294.2551, 14.3272505, "Meta"} -> 
    {{1.05*^7, 4989596, 9842579}, {"Sterculic acid [ C19 H34 O2, db=82.34, \
overall=41.17, Lipid ID=LMFA01030190, KEGG ID= ]", ""}}, 
   {262.2296, 14.327582, "Meta"} -> {{351663, 401331, 332136}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=81.28, overall=40.64, Lipid \
ID=, KEGG ID= ]", ""}}, {238.1927, 14.326264, "Meta"} -> 
    {{14135, 22348, 14059}, {"3-pentadecynoic acid [ C15 H26 O2, db=57.86, \
overall=28.93, Lipid ID=, KEGG ID= ]", ""}}, {392.2238, 14.332555, "Meta"} -> 
    {{112596, 125016, 116508}, {"6b-Hydroxycortisol [ C22 H32 O6, db=57.81, \
overall=28.91, KEGG ID=, CAS ID=53-35-0 ]", "53-35-0"}}, 
   {1285.907, 14.330352, "Meta"} -> {{505231, 513781, 452549}, {"", ""}}, 
   {198.1614, 14.327666, "Meta"} -> {{1, 76623, 51527}, 
     {"9-lauroleic acid [ C12 H22 O2, db=55.65, overall=27.83, Lipid \
ID=LMFA01030041, KEGG ID= ]", ""}}, {311.2817, 14.328415, "Meta"} -> 
    {{4564184, 4921303, 4993121}, {"", ""}}, {354.2882, 14.326629, "Meta"} -> 
    {{724696, 983429, 811627}, {"", ""}}, {1241.8809, 14.334071, "Meta"} -> 
    {{396637, 97955, 1}, {"", ""}}, {410.1968, 14.332834, "Meta"} -> 
    {{31162, 29511, 20069}, {"", ""}}, {920.7121, 14.328693, "Meta"} -> 
    {{118790, 135673, 96101}, {"", ""}}, {372.3238, 14.330667, "Meta"} -> 
    {{1, 1, 1}, {"13,14-dihydroxy-docosanoic acid [ C22 H44 O4, db=92.68, \
overall=46.34, Lipid ID=, KEGG ID= ]", ""}}, 
   {1180.7678, 14.332838, "Meta"} -> {{104253, 100879, 68632}, {"", ""}}, 
   {1214.8828, 14.336967, "Meta"} -> {{97138, 104900, 122048}, {"", ""}}, 
   {1258.907, 14.333887, "Meta"} -> {{148061, 150696, 157139}, {"", ""}}, 
   {1170.852, 14.335778, "Meta"} -> {{156963, 63030, 231175}, {"", ""}}, 
   {1197.8549, 14.342236, "Meta"} -> {{67393, 430457, 363431}, {"", ""}}, 
   {1202.8094, 14.343749, "Meta"} -> {{82222, 52861, 43345}, {"", ""}}, 
   {1246.8376, 14.333188, "Meta"} -> {{269707, 255361, 56722}, {"", ""}}, 
   {1070.7347, 14.356584, "Meta"} -> {{1, 38361, 30410}, {"", ""}}, 
   {587.9054, 14.341818, "Meta"} -> {{71258, 69952, 70085}, {"", ""}}, 
   {754.5154, 14.349834, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {576.9138, 14.348359, "Meta"} -> {{1, 120056, 1}, {"", ""}}, 
   {442.4017, 14.35682, "Meta"} -> {{1, 1, 64031}, {"", ""}}, 
   {424.3913, 14.357807, "Meta"} -> {{18674, 21502, 15474}, {"", ""}}, 
   {406.3808, 14.358058, "Meta"} -> {{15221, 21111, 16145}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=83.65, \
overall=41.82, Lipid ID=, KEGG ID= ]", ""}}, 
   {1109.8003, 14.359261, "Meta"} -> {{36903, 64898, 48259}, {"", ""}}, 
   {880.6371, 14.358142, "Meta"} -> {{18113, 18588, 17671}, {"", ""}}, 
   {854.6613, 14.358676, "Meta"} -> {{12864, 11824, 1}, {"", ""}}, 
   {802.5359, 14.362123, "Meta"} -> {{2716382, 2731044, 2411641}, {"", ""}}, 
   {390.2761, 14.363417, "Meta"} -> {{2.01*^7, 9905670, 1.07*^7}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=96.27, \
overall=48.13, Lipid ID=, KEGG ID= ]", ""}}, {166.0263, 14.363825, "Meta"} -> 
    {{57992, 56437, 57300}, {"Benzoquinoneacetic acid [ C8 H6 O4, db=86.34, \
overall=43.17, HMP ID=HMDB02334, KEGG ID= ]", ""}}, 
   {506.2177, 14.361897, "Meta"} -> {{46925, 29564, 32348}, {"", ""}}, 
   {488.2453, 14.363861, "Meta"} -> {{73143, 62538, 55836}, 
     {"(3a,5b,7a,12a)-3,7-dihydroxy-12-(sulfooxy)cholan-24-oic acid [ C24 H40 \
O8 S, db=80.09, overall=40.05, HMP ID=HMDB02600, KEGG ID= ]", ""}}, 
   {1065.7736, 14.364685, "Meta"} -> {{51855, 45035, 33048}, {"", ""}}, 
   {148.0158, 14.363888, "Meta"} -> {{463935, 463256, 523776}, {"", ""}}, 
   {435.3347, 14.36872, "Meta"} -> {{514745, 520657, 663430}, {"", ""}}, 
   {260.1407, 14.364168, "Meta"} -> {{35703, 19786, 39908}, {"", ""}}, 
   {510.3212, 14.366528, "Meta"} -> {{151711, 188656, 150334}, 
     {"GPCho(8:0/8:0) [ C24 H49 N O8 P, db=69.20, overall=34.60, Lipid \
ID=LMGP01011251, KEGG ID= ]", ""}}, {421.319, 14.36807, "Meta"} -> 
    {{95196, 101510, 84757}, {"", ""}}, {278.1517, 14.363973, "Meta"} -> 
    {{159781, 172795, 186559}, {"", ""}}, {56.0626, 14.364111, "Meta"} -> 
    {{173765, 1, 177692}, {"", ""}}, {559.2364, 14.3670025, "Meta"} -> 
    {{63104, 51948, 47434}, {"", ""}}, {707.5107, 14.365907, "Meta"} -> 
    {{79696, 27284, 25186}, {"", ""}}, {723.5778, 14.369323, "Meta"} -> 
    {{144112, 126831, 134254}, {"", ""}}, {472.2919, 14.36994, "Meta"} -> 
    {{50332, 64012, 76119}, {"", ""}}, {612.496, 14.377229, "Meta"} -> 
    {{1, 90914, 261396}, {"", ""}}, {693.5309, 14.366889, "Meta"} -> 
    {{119156, 118497, 125461}, {"", ""}}, {311.3178, 14.3759985, "Meta"} -> 
    {{1087455, 819719, 980532}, {"", ""}}, {242.1879, 14.379251, "Meta"} -> 
    {{77168, 73917, 80712}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
db=85.66, overall=42.83, Lipid ID=, KEGG ID= ]", ""}}, 
   {206.1667, 14.376665, "Meta"} -> {{1, 32506, 34177}, {"", ""}}, 
   {260.1984, 14.38937, "Meta"} -> {{75292, 57072, 53257}, 
     {"3,11-dihydroxy myristoic acid [ C14 H28 O4, db=63.47, overall=31.73, \
Lipid ID=LMFA01050081, KEGG ID= ]", ""}}, {996.7662, 14.379554, "Meta"} -> 
    {{13407, 1, 1}, {"", ""}}, {429.2323, 14.385517, "Meta"} -> 
    {{82602, 53607, 43444}, {"", ""}}, {2021.3699, 14.398199, "Meta"} -> 
    {{31133, 47087, 1}, {"", ""}}, {504.4169, 14.390971, "Meta"} -> 
    {{73388, 1, 129673}, {"", ""}}, {540.4393, 14.375798, "Meta"} -> 
    {{209772, 76412, 108949}, {"", ""}}, {890.7617, 14.388518, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {298.2869, 14.3915205, "Meta"} -> 
    {{75461, 71708, 1}, {"11-methyl-octadecanoic acid [ C19 H38 O2, db=67.14, \
overall=33.57, Lipid ID=, KEGG ID= ]", ""}}, {397.2157, 14.390834, "Meta"} -> 
    {{23640, 21741, 1}, {"", ""}}, {666.5123, 14.391109, "Meta"} -> 
    {{64256, 68282, 51153}, {"", ""}}, {400.2142, 14.393068, "Meta"} -> 
    {{1, 45157, 27613}, 
     {"Trp Pro Val [ C21 H28 N4 O4, db=30.15, overall=15.08 ]", ""}}, 
   {284.2715, 14.392412, "Meta"} -> {{144682, 135048, 107998}, 
     {"Stearic acid [ C18 H36 O2, db=99.03, overall=49.51, KEGG ID=, CAS \
ID=57-11-4 ]", "57-11-4"}}, {432.2395, 14.391428, "Meta"} -> 
    {{1, 17136, 1}, {"", ""}}, {382.2398, 14.392168, "Meta"} -> 
    {{155932, 158658, 111084}, {"", ""}}, {514.3634, 14.388402, "Meta"} -> 
    {{155042, 1, 120865}, {"", ""}}, {442.2629, 14.3930025, "Meta"} -> 
    {{61808, 64293, 49418}, {"", ""}}, {457.239, 14.3956, "Meta"} -> 
    {{20920, 18049, 15643}, {"", ""}}, {408.3599, 14.406938, "Meta"} -> 
    {{17697, 13866, 15301}, {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, \
db=75.02, overall=37.51, Lipid ID=, KEGG ID= ]", ""}}, 
   {1938.2709, 14.402037, "Meta"} -> {{130135, 1, 120026}, {"", ""}}, 
   {250.193, 14.395028, "Meta"} -> {{92424, 66503, 127726}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=73.78, overall=36.89, \
Lipid ID=, KEGG ID= ]", ""}}, {301.2979, 14.39117, "Meta"} -> 
    {{1, 10662, 1}, {"Dihydrosphingosine [ C18 H39 N O2, db=85.23, \
overall=42.62, KEGG ID=C00836, CAS ID=764-22-7 ]", "764-22-7"}}, 
   {522.4279, 14.397862, "Meta"} -> {{165694, 154394, 187872}, {"", ""}}, 
   {1933.3156, 14.403201, "Meta"} -> {{67531, 1, 107853}, {"", ""}}, 
   {416.2903, 14.408222, "Meta"} -> {{35343, 40019, 41269}, 
     {"(24R,25S)-25,26-epoxy-1alpha,24-dihydroxy-27-norvitamin D3 / \
(24R,25S)-25,26-epoxy-1alpha,24-dihydro [ C26 H40 O4, db=47.47, \
overall=23.74, Lipid ID=LMST03020037, KEGG ID= ]", ""}}, 
   {566.3937, 14.392841, "Meta"} -> {{123295, 1, 106253}, {"", ""}}, 
   {474.37, 14.399874, "Meta"} -> {{314591, 53852, 59555}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=85.87, \
overall=42.94, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {612.4365, 14.406086, "Meta"} -> {{504422, 466894, 448530}, {"", ""}}, 
   {470.3972, 14.407165, "Meta"} -> {{178016, 49340, 169937}, {"", ""}}, 
   {1850.2188, 14.408482, "Meta"} -> {{164436, 175503, 158719}, {"", ""}}, 
   {566.4545, 14.401355, "Meta"} -> {{1057233, 1117944, 935687}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=61.55, overall=30.77, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {443.3973, 14.4052, "Meta"} -> 
    {{75243, 65932, 84864}, {"", ""}}, {681.1175, 14.41128, "Meta"} -> 
    {{33992, 32627, 33742}, {"", ""}}, {1899.2042, 14.408434, "Meta"} -> 
    {{74316, 68130, 54019}, {"", ""}}, {1943.2288, 14.400298, "Meta"} -> 
    {{1, 34204, 48288}, {"", ""}}, {664.7895, 14.409922, "Meta"} -> 
    {{1, 24555, 1}, {"", ""}}, {448.3536, 14.37326, "Meta"} -> 
    {{1, 633463, 418343}, {"Teasterone [ C28 H48 O4, db=51.26, overall=25.63, \
Lipid ID=LMST01030121, KEGG ID= ]", ""}}, {1806.1923, 14.411065, "Meta"} -> 
    {{227850, 182010, 193565}, {"", ""}}, {486.4034, 14.407399, "Meta"} -> 
    {{34683, 40429, 41238}, {"1alpha,25-dihydroxy-2beta-pentylvitamin D3 / \
1alpha,25-dihydroxy-2beta-pentylcholecalciferol [ C32 H54 O3, db=34.55, \
overall=17.27, Lipid ID=LMST03020520, KEGG ID= ]", ""}}, 
   {1855.1772, 14.401386, "Meta"} -> {{110992, 112322, 78009}, {"", ""}}, 
   {651.7665, 14.412334, "Meta"} -> {{38572, 23781, 42564}, {"", ""}}, 
   {593.0646, 14.419587, "Meta"} -> {{31254, 31634, 34386}, {"", ""}}, 
   {370.3077, 14.410557, "Meta"} -> {{4669898, 6628607, 485008}, 
     {"Docosanedioic acid [ C22 H42 O4, db=97.13, overall=48.56, Lipid \
ID=LMFA01170037, KEGG ID= ]", ""}}, {404.3647, 14.4150305, "Meta"} -> 
    {{39536, 1, 43421}, {"5beta-Cholestane-3alpha,7alpha-diol [ C27 H48 O2, \
db=79.14, overall=39.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {1757.2117, 14.41254, "Meta"} -> {{176020, 151414, 202798}, {"", ""}}, 
   {1801.2352, 14.410735, "Meta"} -> {{145187, 166708, 177750}, {"", ""}}, 
   {1811.1512, 14.408364, "Meta"} -> {{106025, 137701, 78280}, {"", ""}}, 
   {1762.1667, 14.414145, "Meta"} -> {{241626, 221990, 248854}, {"", ""}}, 
   {390.3488, 14.408688, "Meta"} -> {{92085, 110439, 121942}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=54.78, overall=27.39, \
Lipid ID=, KEGG ID= ]", ""}}, {583.4808, 14.395259, "Meta"} -> 
    {{21653, 18543, 69541}, {"", ""}}, {637.0912, 14.41594, "Meta"} -> 
    {{42313, 45194, 39364}, {"", ""}}, {511.4232, 14.415657, "Meta"} -> 
    {{88101, 120035, 101781}, {"", ""}}, {387.335, 14.411082, "Meta"} -> 
    {{321650, 412391, 114817}, {"", ""}}, {470.097, 14.418974, "Meta"} -> 
    {{3861626, 4514731, 3014971}, {"", ""}}, {493.0873, 14.415969, "Meta"} -> 
    {{46951, 39190, 37596}, {"", ""}}, {1723.0979, 14.419501, "Meta"} -> 
    {{154579, 152469, 96873}, {"", ""}}, {1625.133, 14.422751, "Meta"} -> 
    {{180311, 203440, 260843}, {"", ""}}, {1630.0883, 14.423135, "Meta"} -> 
    {{290697, 1, 289518}, {"", ""}}, {1635.048, 14.425599, "Meta"} -> 
    {{161851, 1, 147021}, {"", ""}}, {1586.0623, 14.426733, "Meta"} -> 
    {{327165, 318985, 276891}, {"", ""}}, {447.2265, 14.425441, "Meta"} -> 
    {{15205, 11375, 48145}, 
     {"Ser Arg Trp [ C20 H29 N7 O5, db=50.01, overall=25.00 ]", ""}}, 
   {1581.1057, 14.426365, "Meta"} -> {{224057, 225261, 240666}, {"", ""}}, 
   {404.3037, 14.428638, "Meta"} -> {{453915, 534525, 423504}, {"", ""}}, 
   {1542.0363, 14.429039, "Meta"} -> {{299119, 1, 1}, {"", ""}}, 
   {375.3134, 14.427285, "Meta"} -> {{37981, 36328, 49431}, 
     {"N-(1,1-dimethyl-2-hydroxy-ethyl) arachidonoyl amine [ C24 H41 N O2, \
db=81.75, overall=40.88, Lipid ID=LMFA08020019, KEGG ID= ]", ""}}, 
   {1591.0197, 14.430484, "Meta"} -> {{184076, 163766, 1}, {"", ""}}, 
   {361.2974, 14.432083, "Meta"} -> {{2989171, 3105081, 3309985}, 
     {"N-methyl N-(2-hydroxy-ethyl) arachidonoyl amine [ C23 H39 N O2, \
db=97.58, overall=48.79, Lipid ID=LMFA08020025, KEGG ID= ]", ""}}, 
   {344.2712, 14.433056, "Meta"} -> {{2977848, 3089416, 2561012}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=99.04, \
overall=49.52, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {1546.9941, 14.433572, "Meta"} -> {{1, 1, 146367}, {"", ""}}, 
   {1476.0247, 14.427167, "Meta"} -> {{1, 51686, 51149}, {"", ""}}, 
   {506.4327, 14.461076, "Meta"} -> {{1, 72261, 14295}, {"", ""}}, 
   {1502.967, 14.438209, "Meta"} -> {{155637, 138910, 1}, {"", ""}}, 
   {420.3577, 14.4446125, "Meta"} -> {{58492, 50542, 55547}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=65.27, \
overall=32.64, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {1387.9729, 14.434806, "Meta"} -> {{56671, 49475, 52812}, {"", ""}}, 
   {1493.0544, 14.434714, "Meta"} -> {{197649, 195868, 1}, {"", ""}}, 
   {511.2607, 14.419092, "Meta"} -> {{57396, 52123, 45612}, {"", ""}}, 
   {1449.0283, 14.43929, "Meta"} -> {{173290, 182363, 220165}, {"", ""}}, 
   {380.3653, 14.448362, "Meta"} -> {{54861, 61516, 48733}, 
     {"17Z-pentacosenoic acid [ C25 H48 O2, db=96.33, overall=48.17, Lipid \
ID=, KEGG ID= ]", ""}}, {1405.001, 14.443967, "Meta"} -> 
    {{151772, 168185, 152276}, {"CL(1'-[16:0/18:1(11Z)],3'-[16:0/18:1(11Z)]) \
[ C77 H146 O17 P2, db=86.52, overall=43.26, Lipid ID=LMGP12010006, KEGG ID= \
]", ""}}, {1321.905, 14.456001, "Meta"} -> {{132319, 142873, 135417}, 
     {"", ""}}, {1316.9497, 14.455285, "Meta"} -> {{113913, 125528, 116795}, 
     {"", ""}}, {438.3322, 14.440999, "Meta"} -> {{25359, 31596, 29797}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=78.36, \
overall=39.18, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {1277.8792, 14.461234, "Meta"} -> {{107051, 91156, 117783}, {"", ""}}, 
   {1118.9772, 14.463029, "Meta"} -> {{54625, 88051, 33945}, {"", ""}}, 
   {636.9634, 14.461871, "Meta"} -> {{24139, 26854, 27775}, {"", ""}}, 
   {848.7128, 14.462386, "Meta"} -> {{1, 25171, 1}, {"", ""}}, 
   {1238.8083, 14.467372, "Meta"} -> {{1, 32457, 31880}, {"", ""}}, 
   {270.2551, 14.466167, "Meta"} -> {{5306486, 7673045, 4184765}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=94.77, overall=47.38, \
Lipid ID=, KEGG ID= ]", ""}}, {287.2824, 14.466778, "Meta"} -> 
    {{520901, 700197, 543077}, {"C17 Sphinganine [ C17 H37 N O2, db=99.39, \
overall=49.69, Lipid ID=LMSP01040003, KEGG ID= ]", ""}}, 
   {400.334, 14.474161, "Meta"} -> {{1, 1, 1}, {"(5E)-1alpha-hydroxy-3-epivit\
amin D_3 / (5E)-1alpha-hydroxy-3-epicholecalciferol [ C27 H44 O2, db=88.78, \
overall=44.39, Lipid ID=LMST03020234, KEGG ID= ]", ""}}, 
   {1194.7839, 14.473861, "Meta"} -> {{20676, 13536, 9398}, {"", ""}}, 
   {1168.9875, 14.479252, "Meta"} -> {{16385, 1, 1}, {"", ""}}, 
   {330.2883, 14.466946, "Meta"} -> {{126709, 152061, 106719}, {"", ""}}, 
   {320.2708, 14.478832, "Meta"} -> {{5078128, 6149949, 4667818}, 
     {"3a,20b-Pregnanediol [ C21 H36 O2, db=92.32, overall=46.16, HMP \
ID=HMDB02156, KEGG ID= ]", ""}}, {684.1372, 14.495041, "Meta"} -> 
    {{1, 39056, 53699}, {"", ""}}, {418.2392, 14.489999, "Meta"} -> 
    {{29582, 34323, 1}, 
     {"Met Arg Leu [ C17 H34 N6 O4 S, db=55.58, overall=27.79 ]", ""}}, 
   {337.2972, 14.478779, "Meta"} -> {{3548751, 4246876, 4313244}, {"", ""}}, 
   {948.7409, 14.486519, "Meta"} -> {{121492, 61373, 62318}, {"", ""}}, 
   {288.2448, 14.4851265, "Meta"} -> {{34119, 1, 46652}, 
     {"8-[5]-ladderane-1-octanol [ C20 H32 O, db=62.66, overall=31.33, Lipid \
ID=, KEGG ID= ]", ""}}, {380.3036, 14.478943, "Meta"} -> 
    {{376031, 478141, 399916}, {"", ""}}, {351.3139, 14.491401, "Meta"} -> 
    {{41832, 37177, 50497}, {"Anandamide (20:2, n-6) [ C22 H41 N O2, \
db=69.92, overall=34.96, Lipid ID=LMFA08040002, KEGG ID= ]", ""}}, 
   {1124.8135, 14.482899, "Meta"} -> {{72122, 41832, 102853}, {"", ""}}, 
   {654.7867, 14.500103, "Meta"} -> {{54373, 52117, 71188}, {"", ""}}, 
   {671.1134, 14.4969425, "Meta"} -> {{56622, 47032, 57127}, {"", ""}}, 
   {645.3889, 14.488171, "Meta"} -> {{183341, 89288, 112035}, {"", ""}}, 
   {426.2745, 14.497218, "Meta"} -> {{41722, 53250, 35729}, 
     {"(23S)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone [ C27 H38 \
O4, db=63.52, overall=31.76, Lipid ID=LMST03020599, KEGG ID= ]", ""}}, 
   {685.7893, 14.4935665, "Meta"} -> {{1, 46878, 41367}, {"", ""}}, 
   {1947.3323, 14.498856, "Meta"} -> {{62857, 68630, 92156}, {"", ""}}, 
   {1996.3118, 14.491321, "Meta"} -> {{63855, 60120, 48273}, {"", ""}}, 
   {641.7627, 14.502058, "Meta"} -> {{50506, 53807, 57930}, {"", ""}}, 
   {636.4919, 14.474574, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {2040.3385, 14.493648, "Meta"} -> {{59916, 48699, 42104}, {"", ""}}, 
   {627.0879, 14.50506, "Meta"} -> {{44532, 47498, 47435}, {"", ""}}, 
   {1991.3583, 14.495925, "Meta"} -> {{67857, 42756, 31755}, {"", ""}}, 
   {494.3971, 14.493335, "Meta"} -> {{150957, 1, 133321}, {"", ""}}, 
   {592.4704, 14.502999, "Meta"} -> {{963346, 4194631, 1188497}, {"", ""}}, 
   {919.681, 14.505394, "Meta"} -> {{1, 31814, 23322}, {"", ""}}, 
   {807.8639, 14.509769, "Meta"} -> {{63907, 45431, 68238}, {"", ""}}, 
   {1903.3048, 14.502486, "Meta"} -> {{47645, 100634, 88102}, {"", ""}}, 
   {793.1883, 14.512266, "Meta"} -> {{64877, 79430, 1}, {"", ""}}, 
   {1952.2863, 14.502277, "Meta"} -> {{86920, 76172, 61338}, {"", ""}}, 
   {1869.194, 14.502086, "Meta"} -> {{68037, 1, 54752}, {"", ""}}, 
   {1908.2607, 14.504808, "Meta"} -> {{111264, 1, 103076}, {"", ""}}, 
   {1820.2089, 14.511034, "Meta"} -> {{147439, 149803, 132433}, {"", ""}}, 
   {963.707, 14.513001, "Meta"} -> {{1, 29296, 22687}, {"", ""}}, 
   {1781.1418, 14.511568, "Meta"} -> {{109325, 52114, 55969}, {"", ""}}, 
   {1776.1823, 14.514804, "Meta"} -> {{150877, 209730, 145015}, {"", ""}}, 
   {386.3397, 14.511031, "Meta"} -> {{32540, 72243, 58716}, 
     {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=96.95, overall=48.47, KEGG \
ID=, CAS ID= ]", ""}}, {1815.2509, 14.512214, "Meta"} -> 
    {{94318, 144003, 142438}, {"", ""}}, {252.2088, 14.522425, "Meta"} -> 
    {{38920, 37646, 38203}, {"2E,4E-hexadecadienoic acid [ C16 H28 O2, \
db=60.20, overall=30.10, Lipid ID=, KEGG ID= ]", ""}}, 
   {1771.2264, 14.515609, "Meta"} -> {{114630, 145212, 186147}, {"", ""}}, 
   {294.2194, 14.478001, "Meta"} -> {{44042, 59928, 61003}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=80.00, overall=40.00, \
Lipid ID=, KEGG ID= ]", ""}}, {546.4281, 14.479806, "Meta"} -> 
    {{188550, 543239, 629304}, {"", ""}}, {749.1626, 14.516725, "Meta"} -> 
    {{70110, 61679, 58122}, {"", ""}}, {596.4413, 14.516907, "Meta"} -> 
    {{155089, 1, 147285}, {"", ""}}, {278.2243, 14.527305, "Meta"} -> 
    {{345505, 326729, 1}, {"beta-eleostearic acid [ C18 H30 O2, db=62.70, \
overall=31.35, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {763.8373, 14.514566, "Meta"} -> {{60385, 52533, 63516}, {"", ""}}, 
   {276.2084, 14.51291, "Meta"} -> {{59573, 51204, 56514}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=79.59, overall=39.79, Lipid \
ID=, KEGG ID= ]", ""}}, {1222.882, 14.507078, "Meta"} -> 
    {{100609, 130087, 84606}, {"", ""}}, {1693.0908, 14.519001, "Meta"} -> 
    {{100143, 1, 1}, {"", ""}}, {1683.1736, 14.522961, "Meta"} -> 
    {{132351, 1, 212021}, {"", ""}}, {576.4755, 14.530964, "Meta"} -> 
    {{1486666, 1346235, 1341607}, {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadi\
enoyl)-sn-glycerol [ C36 H64 O5, db=81.99, overall=40.99, KEGG ID=, CAS ID= \
]", ""}}, {1112.8135, 14.532041, "Meta"} -> {{1, 1, 40356}, {"", ""}}, 
   {1551.0957, 14.537624, "Meta"} -> {{127948, 1, 165865}, {"", ""}}, 
   {1507.0687, 14.543251, "Meta"} -> {{107015, 142271, 168302}, {"", ""}}, 
   {1463.0459, 14.548631, "Meta"} -> {{98019, 121371, 1}, {"", ""}}, 
   {412.2124, 14.560958, "Meta"} -> {{23221, 13458, 1}, {"", ""}}, 
   {264.2448, 14.558638, "Meta"} -> {{58037, 71148, 49855}, 
     {"9,12-octadecadienal [ C18 H32 O, db=90.59, overall=45.30, Lipid ID=, \
KEGG ID= ]", ""}}, {296.2707, 14.557776, "Meta"} -> 
    {{5453337, 6442021, 4454988}, {"10-methylene-octadecanoic acid [ C19 H36 \
O2, db=84.40, overall=42.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {394.2399, 14.56191, "Meta"} -> {{53430, 57528, 45530}, {"", ""}}, 
   {356.3036, 14.558113, "Meta"} -> {{236932, 268030, 228085}, {"", ""}}, 
   {313.2974, 14.558834, "Meta"} -> {{1477130, 2635428, 2090328}, 
     {"N-(2-hydroxyethyl)heptadecanamide [ C19 H39 N O2, db=99.60, \
overall=49.80, KEGG ID=, CAS ID= ]", ""}}, {327.3145, 14.5584135, "Meta"} -> 
    {{12563, 1, 18744}, {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, \
db=63.74, overall=31.87, KEGG ID=, CAS ID= ]", ""}}, 
   {496.4124, 14.55775, "Meta"} -> {{84748, 81156, 53385}, {"", ""}}, 
   {1330.9644, 14.569345, "Meta"} -> {{36917, 64258, 36546}, {"", ""}}, 
   {1224.9006, 14.558654, "Meta"} -> {{1, 145168, 163440}, {"", ""}}, 
   {719.8112, 14.559839, "Meta"} -> {{19698, 29542, 26457}, {"", ""}}, 
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   {2054.3523, 14.574896, "Meta"} -> {{53015, 1, 46413}, {"", ""}}, 
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   {1128.8441, 14.582754, "Meta"} -> {{64541, 45088, 50385}, {"", ""}}, 
   {180.1507, 14.5836115, "Meta"} -> {{46316, 51895, 54558}, 
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    {{41230, 45174, 1}, {"", ""}}, {394.3806, 14.587612, "Meta"} -> 
    {{39460, 43807, 34788}, {"Ximenic acid [ C26 H50 O2, db=85.28, \
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   {337.3338, 14.585556, "Meta"} -> {{3843324, 4124453, 2672524}, {"", ""}}, 
   {198.1615, 14.583165, "Meta"} -> {{192442, 160314, 185445}, 
     {"9-lauroleic acid [ C12 H22 O2, db=95.30, overall=47.65, Lipid \
ID=LMFA01030041, KEGG ID= ]", ""}}, {457.3779, 14.587459, "Meta"} -> 
    {{39656, 38027, 33194}, {"", ""}}, {397.3668, 14.5889435, "Meta"} -> 
    {{473295, 474462, 363781}, {"", ""}}, {518.3949, 14.583486, "Meta"} -> 
    {{419201, 303904, 452794}, {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)\
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   {382.3923, 14.588941, "Meta"} -> {{77060, 163393, 116644}, {"", ""}}, 
   {618.6064, 14.58071, "Meta"} -> {{1, 1, 23627}, {"", ""}}, 
   {2010.329, 14.5813465, "Meta"} -> {{98263, 52451, 55633}, {"", ""}}, 
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   {434.3736, 14.585371, "Meta"} -> {{36610, 33880, 28203}, 
     {"6-deoxoteasterone [ C28 H50 O3, db=57.43, overall=28.72, Lipid \
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    {{21570, 28230, 20715}, {"", ""}}, {675.7857, 14.585401, "Meta"} -> 
    {{45490, 28656, 29064}, {"", ""}}, {570.4849, 14.596359, "Meta"} -> 
    {{92327, 84425, 98831}, {"Dihydrospheroidene/ Methoxyneurosporene [ C41 \
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   {646.5057, 14.597443, "Meta"} -> {{142566, 267313, 64260}, {"", ""}}, 
   {777.6257, 14.593777, "Meta"} -> {{140404, 203566, 51116}, {"", ""}}, 
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   {1829.2671, 14.605332, "Meta"} -> {{1, 126291, 111673}, {"", ""}}, 
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     {"24-Nor-5beta-chol-22-ene-3alpha,7alpha-diol [ C23 H38 O2, db=97.06, \
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    {{94900, 111319, 96536}, {"", ""}}, {311.3186, 14.611917, "Meta"} -> 
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   {542.3945, 14.613458, "Meta"} -> {{302980, 229398, 1}, {"", ""}}, 
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     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.09, \
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    {{224360, 1, 141903}, {"", ""}}, {418.3076, 14.641639, "Meta"} -> 
    {{8536778, 1.34*^7, 3269980}, {"(24S)-1alpha,24-dihydroxy-22-oxavitamin \
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   {558.4647, 14.630633, "Meta"} -> {{386355, 393011, 373784}, {"", ""}}, 
   {587.268, 14.647654, "Meta"} -> {{24276, 23297, 1}, {"", ""}}, 
   {594.4864, 14.647084, "Meta"} -> {{5489791, 1.81*^7, 1.95*^7}, 
     {"GPCho(O-12:0/O-12:0[U]) [ C32 H69 N O6 P, db=61.40, overall=30.70, \
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    {{106021, 74094, 1}, {"GPCho(16:0/2:0[U]) [ C26 H53 N O8 P, db=80.02, \
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   {463.3662, 14.650472, "Meta"} -> {{377526, 1255102, 261990}, {"", ""}}, 
   {1241.8918, 14.621572, "Meta"} -> {{188422, 145449, 54157}, {"", ""}}, 
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   {611.5125, 14.659333, "Meta"} -> {{1445125, 1500606, 1536224}, {"", ""}}, 
   {477.3818, 14.653285, "Meta"} -> {{79304, 365920, 73502}, {"", ""}}, 
   {284.2714, 14.654392, "Meta"} -> {{200585, 251417, 143576}, 
     {"Stearic acid [ C18 H36 O2, db=98.08, overall=49.04, KEGG ID=, CAS \
ID=57-11-4 ]", "57-11-4"}}, {1244.8976, 14.639069, "Meta"} -> 
    {{651514, 407618, 445648}, {"", ""}}, {576.4755, 14.647612, "Meta"} -> 
    {{1110204, 1071223, 1141794}, {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadi\
enoyl)-sn-glycerol [ C36 H64 O5, db=63.86, overall=31.93, KEGG ID=, CAS ID= \
]", ""}}, {404.3652, 14.650456, "Meta"} -> {{94645, 82951, 104308}, 
     {"5beta-Cholestane-3alpha,7alpha-diol [ C27 H48 O2, db=61.38, \
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   {1228.9321, 14.649517, "Meta"} -> {{597028, 419769, 522219}, {"", ""}}, 
   {301.298, 14.656277, "Meta"} -> {{34309, 74717, 35747}, 
     {"Dihydrosphingosine [ C18 H39 N O2, db=96.01, overall=48.00, KEGG \
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    {{26785, 55589, 1}, {"2,4,6-Heptatrienoic acid, \
5-methyl-7-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-, (2E,4E,6E)- [ C17 H22 \
O3, db=85.11, overall=42.55, KEGG ID=, CAS ID=230976-85-9 ]", 
      "230976-85-9"}}, {504.4172, 14.684583, "Meta"} -> 
    {{114311, 87019, 57226}, {"", ""}}, {572.4439, 14.696446, "Meta"} -> 
    {{1349802, 642814, 717861}, {"", ""}}, {420.3589, 14.700999, "Meta"} -> 
    {{66364, 43149, 36342}, {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, \
db=56.75, overall=28.37, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {672.5206, 14.677082, "Meta"} -> {{329069, 464346, 189445}, {"", ""}}, 
   {1980.3177, 14.679613, "Meta"} -> {{76374, 1, 76398}, {"", ""}}, 
   {339.3138, 14.689998, "Meta"} -> {{338825, 566747, 313838}, {"", ""}}, 
   {322.2869, 14.6890545, "Meta"} -> {{343001, 400507, 279595}, 
     {"18-methyl-5Z,9Z-eicosadienoic acid [ C21 H38 O2, db=89.79, \
overall=44.89, Lipid ID=, KEGG ID= ]", ""}}, {522.4285, 14.695344, "Meta"} -> 
    {{219251, 463583, 526069}, {"", ""}}, {710.4678, 14.679098, "Meta"} -> 
    {{41330, 55251, 1}, {"", ""}}, {382.3195, 14.691675, "Meta"} -> 
    {{62037, 76461, 67709}, {"", ""}}, {1931.3354, 14.685877, "Meta"} -> 
    {{68034, 97887, 53883}, {"", ""}}, {690.5313, 14.693032, "Meta"} -> 
    {{18883, 35223, 1}, {"", ""}}, {1892.2664, 14.69138, "Meta"} -> 
    {{63004, 45414, 57075}, {"", ""}}, {410.3753, 14.702883, "Meta"} -> 
    {{100230, 41180, 62387}, {"", ""}}, {658.4167, 14.70937, "Meta"} -> 
    {{244256, 196062, 1}, {"", ""}}, {652.4213, 14.713416, "Meta"} -> 
    {{558832, 1, 1}, {"", ""}}, {316.2608, 14.722626, "Meta"} -> 
    {{705606, 501514, 486850}, {"7,8-dihydroxy stearic acid [ C18 H36 O4, \
db=57.03, overall=28.52, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {618.4829, 14.717896, "Meta"} -> {{1.31*^7, 1, 1.25*^7}, {"", ""}}, 
   {464.3117, 14.712481, "Meta"} -> {{22267, 20794, 20779}, 
     {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic \
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   {627.543, 14.723062, "Meta"} -> {{76613, 80240, 65291}, {"", ""}}, 
   {298.2502, 14.720165, "Meta"} -> {{3229041, 2.33*^7, 2839485}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=96.33, overall=48.16, \
Lipid ID=, KEGG ID= ]", ""}}, {364.2978, 14.71611, "Meta"} -> 
    {{184001, 271048, 174066}, {"24-Nor-5beta-cholane-3alpha,7alpha,23-triol \
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   {787.8574, 14.717876, "Meta"} -> {{42984, 29659, 55184}, {"", ""}}, 
   {1248.9193, 14.717847, "Meta"} -> {{144487, 82441, 117069}, {"", ""}}, 
   {1214.9626, 14.718625, "Meta"} -> {{64914, 46468, 49930}, {"", ""}}, 
   {262.2295, 14.721832, "Meta"} -> {{152159, 134411, 148118}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=86.76, overall=43.38, Lipid \
ID=, KEGG ID= ]", ""}}, {280.2403, 14.721973, "Meta"} -> 
    {{2687309, 2576788, 2548861}, {"13E,17-octadecadienoic acid [ C18 H32 O2, \
db=99.20, overall=49.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {641.5592, 14.724205, "Meta"} -> {{208183, 314907, 150429}, {"", ""}}, 
   {1230.9482, 14.721404, "Meta"} -> {{1, 192977, 211507}, {"", ""}}, 
   {613.5278, 14.712639, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {895.2569, 14.730208, "Meta"} -> {{43941, 42358, 41286}, {"", ""}}, 
   {878.9283, 14.734208, "Meta"} -> {{35351, 75124, 81648}, {"", ""}}, 
   {548.4439, 14.7357, "Meta"} -> {{193588, 393214, 468760}, {"", ""}}, 
   {660.5212, 14.728284, "Meta"} -> {{92882, 167091, 75412}, {"", ""}}, 
   {327.314, 14.733674, "Meta"} -> {{19158, 32716, 22170}, 
     {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, db=66.95, overall=33.47, \
KEGG ID=, CAS ID= ]", ""}}, {310.287, 14.734526, "Meta"} -> 
    {{33390, 36632, 25326}, {"trans-gondoic acid [ C20 H38 O2, db=60.53, \
overall=30.26, Lipid ID=LMFA01030086, KEGG ID= ]", ""}}, 
   {583.4811, 14.737029, "Meta"} -> {{78145, 71277, 1}, {"", ""}}, 
   {600.472, 14.752064, "Meta"} -> {{111037, 200582, 319597}, 
     {"1-(9Z,12Z-heptadecadienoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero\
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   {716.5471, 14.760383, "Meta"} -> {{100307, 1, 107107}, {"", ""}}, 
   {389.3293, 14.748772, "Meta"} -> {{136535, 228808, 115230}, 
     {"(-)N-(1R-methyl-2-hydroxy-ethyl) alpha,alpha-dimethylarachidonoyl \
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ID= ]", ""}}, {372.3025, 14.74882, "Meta"} -> {{79405, 1, 1}, {"", ""}}, 
   {574.4596, 14.754307, "Meta"} -> {{4507160, 1384436, 3843107}, {"", ""}}, 
   {242.1877, 14.760484, "Meta"} -> {{20800, 25314, 20210}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=56.38, \
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    {{207106, 1, 218429}, {"", ""}}, {438.3706, 14.765166, "Meta"} -> 
    {{20404, 26271, 1}, {"", ""}}, {393.3394, 14.762653, "Meta"} -> 
    {{23837, 53449, 1}, {"", ""}}, {444.36, 14.769503, "Meta"} -> 
    {{55003, 82357, 48317}, {"1alpha,25-dihydroxy-26,27-dimethylvitamin D3 / \
1alpha,25-dihydroxy-26,27-dimethylcholecalciferol [ C29 H48 O3, db=93.15, \
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   {426.3503, 14.771001, "Meta"} -> {{1, 10965, 1}, 
     {"1alpha-hydroxy-24-methylvitamin D2 / \
1alpha-hydroxy-24-methylergocalciferol [ C29 H46 O2, db=63.34, overall=31.67, \
Lipid ID=LMST03010058, KEGG ID= ]", ""}}, {698.5362, 14.787467, "Meta"} -> 
    {{1, 65643, 1}, {"", ""}}, {630.3825, 14.770709, "Meta"} -> 
    {{116106, 85448, 76883}, {"", ""}}, {562.4942, 14.773908, "Meta"} -> 
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    {{291581, 117976, 198355}, {"", ""}}, {865.9048, 14.755374, "Meta"} -> 
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    {{92120, 159081, 59492}, {"", ""}}, {298.2872, 14.814419, "Meta"} -> 
    {{3538611, 4510751, 2263530}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
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   {315.3136, 14.814669, "Meta"} -> {{1049835, 1448846, 728119}, {"", ""}}, 
   {412.2589, 14.804344, "Meta"} -> {{367900, 365774, 190243}, {"", ""}}, 
   {932.8066, 14.813334, "Meta"} -> {{20152, 17300, 11554}, {"", ""}}, 
   {1309.0577, 14.831959, "Meta"} -> {{1, 15703, 1}, {"", ""}}, 
   {1010.7714, 14.841031, "Meta"} -> {{61370, 85501, 1}, {"", ""}}, 
   {861.6182, 14.853371, "Meta"} -> {{185863, 293818, 123916}, 
     {"Galabiosylceramide (d18:1/16:0) [ C46 H87 N O13, db=96.56, \
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   {339.3499, 14.845642, "Meta"} -> {{53779, 60374, 31456}, 
     {"Docosanamide [ C22 H45 N O, db=95.67, overall=47.83, HMP ID=HMDB00583, \
KEGG ID= ]", ""}}, {1270.9773, 14.83957, "Meta"} -> 
    {{147788, 1, 74331}, {"", ""}}, {656.5257, 14.851055, "Meta"} -> 
    {{34482, 58153, 22199}, {"", ""}}, {1246.9775, 14.836859, "Meta"} -> 
    {{13663, 84915, 1}, {"", ""}}, {730.457, 14.851282, "Meta"} -> 
    {{1, 1, 29002}, {"", ""}}, {674.5367, 14.847863, "Meta"} -> 
    {{4957227, 7698247, 2730477}, {"", ""}}, 
   {790.4836, 14.8502035, "Meta"} -> {{32702, 60925, 1}, 
     {"Bis-[2-lyso-3-arachidonoyl-sn-glycerol]-1-phosphate [ C44 H71 O10 P, \
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   {787.4786, 14.851057, "Meta"} -> {{46350, 58282, 30588}, {"", ""}}, 
   {712.4837, 14.8548, "Meta"} -> {{266188, 267908, 135964}, {"", ""}}, 
   {772.5084, 14.853306, "Meta"} -> {{167650, 165569, 138864}, {"", ""}}, 
   {468.3215, 14.851771, "Meta"} -> {{339713, 274542, 179293}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
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    {{1, 1, 1}, {"", ""}}, {341.3288, 14.878036, "Meta"} -> 
    {{84512, 114783, 1}, {"", ""}}, {324.3027, 14.878835, "Meta"} -> 
    {{130785, 30305, 40876}, {"2-propyl-9Z-octadecenoic Acid [ C21 H40 O2, \
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   {365.3654, 14.881139, "Meta"} -> {{99821, 117891, 34545}, {"", ""}}, 
   {424.3554, 14.882167, "Meta"} -> {{286994, 907120, 4.94*^7}, {"", ""}}, 
   {598.4571, 14.955258, "Meta"} -> {{1123230, 260850, 931791}, {"", ""}}, 
   {391.3446, 14.895251, "Meta"} -> {{30401, 39144, 1}, {"", ""}}, 
   {658.2433, 14.953439, "Meta"} -> {{26861, 1, 1}, {"", ""}}, 
   {720.5765, 14.894582, "Meta"} -> {{33141, 52153, 1}, {"", ""}}, 
   {351.3499, 14.902113, "Meta"} -> {{56659, 65216, 19156}, {"", ""}}, 
   {1413.0363, 14.894115, "Meta"} -> {{48173, 89082, 1}, {"", ""}}, 
   {1296.9957, 14.909416, "Meta"} -> {{29879, 57250, 1}, {"", ""}}, 
   {1299.0092, 14.927766, "Meta"} -> {{242848, 464627, 117852}, {"", ""}}, 
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   {722.5224, 14.915698, "Meta"} -> {{37087, 38567, 19555}, {"", ""}}, 
   {1252.9672, 14.923705, "Meta"} -> {{1, 49240, 1}, {"", ""}}, 
   {700.5531, 14.915303, "Meta"} -> {{8861472, 1.46*^7, 5554637}, {"", ""}}, 
   {798.5251, 14.918499, "Meta"} -> {{155481, 123489, 130244}, {"", ""}}, 
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   {1457.028, 14.91376, "Meta"} -> {{1, 240089, 1}, {"", ""}}, 
   {682.5412, 14.914805, "Meta"} -> {{39875, 68884, 23784}, {"", ""}}, 
   {813.4938, 14.918886, "Meta"} -> {{104838, 106058, 1}, {"", ""}}, 
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   {753.4737, 14.916138, "Meta"} -> {{89175, 85473, 35507}, {"", ""}}, 
   {914.7343, 14.930177, "Meta"} -> {{43924, 54147, 1}, 
     {"TG(17:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] [ C60 H98 \
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   {428.3655, 14.930514, "Meta"} -> {{793562, 900390, 182272}, 
     {"25-hydroxy-26,27-dimethylvitamin D3 / \
25-hydroxy-26,27-dimethylcholecalciferol [ C29 H48 O2, db=98.81, \
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   {858.6343, 14.935901, "Meta"} -> {{26879, 36604, 1}, {"", ""}}, 
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     {"GPCho(18:0/22:5(4Z,7Z,10Z,13Z,16Z)[U]) [ C48 H87 N O8 P, db=12.94, \
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   {824.6755, 15.634373, "Meta"} -> {{1, 138981, 1}, {"", ""}}, 
   {849.5563, 15.625002, "Meta"} -> {{307611, 324041, 90991}, {"", ""}}, 
   {811.6088, 15.61939, "Meta"} -> {{6410377, 1.14*^7, 3951879}, {"", ""}}, 
   {637.5643, 15.681285, "Meta"} -> {{58065, 46179, 62739}, {"", ""}}, 
   {745.5994, 15.617443, "Meta"} -> {{1161975, 1882472, 736709}, {"", ""}}, 
   {642.5198, 15.686833, "Meta"} -> {{55394, 44490, 69617}, 
     {"1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol [ \
C41 H70 O5, db=83.90, overall=41.95, KEGG ID=, CAS ID= ]", ""}}, 
   {1581.206, 15.608842, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {795.6145, 15.647944, "Meta"} -> {{4337173, 4244290, 1494674}, {"", ""}}, 
   {833.5642, 15.6496105, "Meta"} -> {{76495, 111696, 41521}, {"", ""}}, 
   {964.5729, 15.654156, "Meta"} -> {{65040, 70383, 54725}, {"", ""}}, 
   {786.6616, 15.680306, "Meta"} -> {{747769, 1398864, 717299}, {"", ""}}, 
   {633.6055, 15.705123, "Meta"} -> {{17018, 19962, 12877}, {"", ""}}, 
   {799.6104, 15.65322, "Meta"} -> {{212403, 240000, 125644}, 
     {"GPEtn(20:0/20:2(11Z,14Z)) [ C45 H86 N O8 P, db=93.83, overall=46.92, \
Lipid ID=LMGP02010140, KEGG ID= ]", ""}}, {842.5788, 15.682306, "Meta"} -> 
    {{1, 41283, 1}, {"", ""}}, {812.6763, 15.714558, "Meta"} -> 
    {{7514170, 9497450, 4053920}, {"", ""}}, {821.6306, 15.726869, "Meta"} -> 
    {{1, 1044205, 1}, {"", ""}}, {819.1161, 15.720408, "Meta"} -> 
    {{119564, 171020, 51341}, {"", ""}}, {910.646, 15.731829, "Meta"} -> 
    {{81548, 104641, 1}, {"", ""}}, {837.6252, 15.705371, "Meta"} -> 
    {{580852, 1203495, 535061}, {"", ""}}, {956.5681, 15.719221, "Meta"} -> 
    {{145206, 185290, 1}, {"", ""}}, {787.6087, 15.709487, "Meta"} -> 
    {{5093275, 9398083, 4572918}, {"", ""}}, {771.6146, 15.732927, "Meta"} -> 
    {{1, 1085127, 474475}, {"", ""}}, {901.5499, 15.709517, "Meta"} -> 
    {{106595, 1, 55019}, {"", ""}}, {885.5777, 15.722668, "Meta"} -> 
    {{1, 138708, 1}, {"", ""}}, {838.69, 15.756972, "Meta"} -> 
    {{56831, 82992, 46725}, {"", ""}}, {826.6931, 15.772778, "Meta"} -> 
    {{428590, 608826, 286671}, {"", ""}}, {578.5272, 15.79175, "Meta"} -> 
    {{105507, 150328, 184867}, {"", ""}}, {646.4517, 15.798346, "Meta"} -> 
    {{21342, 1, 30971}, {"GPA(14:0/18:1(9Z)) [ C35 H67 O8 P, db=53.75, \
overall=26.87, Lipid ID=LMGP10010019, KEGG ID= ]", ""}}, 
   {629.6106, 15.80247, "Meta"} -> {{29255, 38561, 17457}, {"", ""}}, 
   {647.6218, 15.803638, "Meta"} -> {{203813, 269218, 159315}, 
     {"Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, db=94.85, overall=47.43, \
HMP ID=HMDB04953, KEGG ID= ]", ""}}, {618.52, 15.807126, "Meta"} -> 
    {{299572, 390344, 433070}, {"1-octadecanoyl-2-(9Z,12Z,15Z-octadecatrienoy\
l)-sn-glycerol [ C39 H70 O5, db=91.14, overall=45.57, KEGG ID=, CAS ID= ]", 
      ""}}, {800.6776, 15.794722, "Meta"} -> {{364030, 652167, 255321}, 
     {"", ""}}, {613.5643, 15.813304, "Meta"} -> {{152745, 199242, 223447}, 
     {"", ""}}, {720.5875, 15.822541, "Meta"} -> 
    {{43680, 1, 1}, {"GPCho(O-16:0/16:0) [ C40 H83 N O7 P, db=74.12, \
overall=37.06, Lipid ID=LMGP01020029, KEGG ID= ]", ""}}, 
   {863.6402, 15.794833, "Meta"} -> {{64200, 78155, 1}, {"", ""}}, 
   {661.637, 15.824202, "Meta"} -> {{1, 15073, 1}, {"", ""}}, 
   {813.6251, 15.798603, "Meta"} -> {{497175, 1203745, 313015}, {"", ""}}, 
   {847.6456, 15.813998, "Meta"} -> {{296513, 1, 164292}, {"", ""}}, 
   {551.4249, 15.827079, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {797.6297, 15.801678, "Meta"} -> {{1, 596361, 109138}, {"", ""}}, 
   {661.4929, 15.831914, "Meta"} -> {{193520, 151100, 132622}, {"", ""}}, 
   {605.6104, 15.850416, "Meta"} -> {{19063, 34641, 13402}, {"", ""}}, 
   {834.2323, 15.869839, "Meta"} -> {{1, 19004, 43471}, {"", ""}}, 
   {831.2332, 15.870869, "Meta"} -> {{160221, 107552, 103945}, {"", ""}}, 
   {627.5816, 15.898941, "Meta"} -> {{31673, 45816, 32941}, {"", ""}}, 
   {631.6267, 15.875499, "Meta"} -> {{46348, 93346, 34627}, {"", ""}}, 
   {592.5431, 15.88767, "Meta"} -> {{1, 19864, 16382}, {"", ""}}, 
   {801.6253, 15.848322, "Meta"} -> {{1, 87811, 1}, 
     {"GPEtn(22:1(13Z)/18:0)[U] [ C45 H88 N O8 P, db=86.54, overall=43.27, \
Lipid ID=LMGP02010033, KEGG ID= ]", ""}}, {632.5355, 15.902878, "Meta"} -> 
    {{48302, 68286, 61138}, {"1-(9Z-heptadecenoyl)-2-(11Z,14Z-eicosadienoyl)-\
sn-glycerol [ C40 H72 O5, db=87.97, overall=43.98, KEGG ID=, CAS ID= ]", 
      ""}}, {839.6394, 15.8606, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {814.6932, 15.912194, "Meta"} -> {{511223, 1002455, 403281}, {"", ""}}, 
   {852.6397, 15.911029, "Meta"} -> {{20285, 67150, 1}, {"", ""}}, 
   {773.63, 15.906822, "Meta"} -> {{167019, 355773, 164272}, {"", ""}}, 
   {823.6456, 15.917723, "Meta"} -> {{462233, 1068163, 329112}, {"", ""}}, 
   {649.6372, 15.946309, "Meta"} -> {{61186, 117300, 17943}, 
     {"N-Lignoceroylsphingosine [ C42 H83 N O3, db=98.89, overall=49.44, HMP \
ID=HMDB00831, KEGG ID= ]", ""}}, {861.593, 15.911041, "Meta"} -> 
    {{1, 45740, 1}, {"", ""}}, {849.6617, 15.960544, "Meta"} -> 
    {{450694, 861048, 295075}, {"", ""}}, {606.5589, 16.002474, "Meta"} -> 
    {{127519, 238444, 174166}, {"", ""}}, {887.608, 15.950258, "Meta"} -> 
    {{1, 42918, 1}, {"", ""}}, {646.5512, 16.021963, "Meta"} -> 
    {{498043, 870703, 595576}, {"1-(9Z-octadecenoyl)-2-(11Z,14Z-eicosadienoyl\
)-sn-glycerol [ C41 H74 O5, db=90.48, overall=45.24, KEGG ID=, CAS ID= ]", 
      ""}}, {669.6274, 16.021229, "Meta"} -> {{17895, 41812, 27553}, 
     {"", ""}}, {663.653, 16.021738, "Meta"} -> 
    {{1, 1, 1}, {"Ceramide (d18:1/25:0) [ C43 H85 N O3, db=93.46, \
overall=46.73, HMP ID=HMDB04957, KEGG ID= ]", ""}}, 
   {580.3012, 15.999072, "Meta"} -> {{67333, 76182, 1}, {"", ""}}, 
   {641.5965, 16.03561, "Meta"} -> {{174813, 281704, 185815}, {"", ""}}, 
   {633.6424, 16.0732, "Meta"} -> {{18774, 65886, 1}, {"", ""}}, 
   {875.6776, 16.05178, "Meta"} -> {{379942, 449992, 264111}, {"", ""}}, 
   {877.6932, 16.229668, "Meta"} -> {{454941, 936567, 405252}, {"", ""}}, 
   {903.7076, 16.322107, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {958.9559, 0.36646155, "Meta"} -> {{36712, 26330, 27840}, {"", ""}}, 
   {2422.0625, 0.37100002, "Meta"} -> {{27958, 26957, 34592}, {"", ""}}, 
   {1742.01, 0.37975758, "Meta"} -> {{42852, 36782, 1}, {"", ""}}, 
   {1578.0028, 0.38074994, "Meta"} -> {{49589, 42285, 1}, {"", ""}}, 
   {1988.023, 0.37995836, "Meta"} -> {{26809, 25130, 1}, {"", ""}}, 
   {1824.0161, 0.38057694, "Meta"} -> {{39507, 35203, 1}, {"", ""}}, 
   {547.9159, 0.39203572, "Meta"} -> {{142150, 145569, 140923}, {"", ""}}, 
   {721.7918, 0.40096295, "Meta"} -> {{64847, 64538, 70027}, {"", ""}}, 
   {557.7853, 0.40799993, "Meta"} -> {{1, 149102, 143624}, {"", ""}}, 
   {791.6165, 0.41215378, "Meta"} -> {{18012, 1, 1}, {"", ""}}, 
   {633.7165, 0.41170967, "Meta"} -> {{21696, 26841, 26503}, {"", ""}}, 
   {252.1202, 0.45106667, "Meta"} -> {{75619, 65852, 70390}, 
     {"Pro His [ C11 H16 N4 O3, db=76.47, overall=38.23 ]", ""}}, 
   {246.1942, 0.46209374, "Meta"} -> {{28111, 26831, 1}, {"", ""}}, 
   {278.1842, 0.46203128, "Meta"} -> {{79566, 75923, 70516}, {"", ""}}, 
   {304.1997, 0.46772003, "Meta"} -> {{1, 19236, 16933}, {"", ""}}, 
   {218.1628, 0.46839395, "Meta"} -> {{35143, 34924, 33896}, {"", ""}}, 
   {274.1643, 0.46503848, "Meta"} -> {{1, 1, 31827}, 
     {"Ala Gly Lys [ C11 H22 N4 O4, db=47.47, overall=23.74 ]", ""}}, 
   {380.0201, 0.5091111, "Meta"} -> {{212925, 64039, 55424}, {"", ""}}, 
   {352.0515, 0.53367996, "Meta"} -> {{23830, 51691, 1}, {"", ""}}, 
   {135.068, 0.55345714, "Meta"} -> {{135709, 139270, 133838}, 
     {"2-Phenylacetamide [ C8 H9 N O, db=85.97, overall=42.98, KEGG \
ID=C02505, CAS ID=103-81-1 ]", "103-81-1"}}, {281.1835, 0.605074, "Meta"} -> 
    {{100159, 1, 84895}, {"", ""}}, {115.0629, 0.69411117, "Meta"} -> 
    {{101295, 1, 73401}, {"Proline [ C5 H9 N O2, db=79.13, overall=39.57, \
KEGG ID=C00148, CAS ID=147-85-3 ]", "147-85-3"}}, 
   {131.0587, 0.6995, "Meta"} -> {{227661, 1, 71420}, 
     {"Trans-4-Hydroxy-L-proline [ C5 H9 N O3, db=60.12, overall=30.06, KEGG \
ID=, CAS ID=51-35-4 ]", "51-35-4"}}, {526.0667, 0.66112, "Meta"} -> 
    {{14486, 1, 14107}, {"", ""}}, {380.0206, 0.6642414, "Meta"} -> 
    {{242424, 1, 219324}, {"", ""}}, {306.0645, 0.74877775, "Meta"} -> 
    {{48084, 45208, 1}, {"", ""}}, {382.1085, 0.74347997, "Meta"} -> 
    {{1, 30932, 38943}, {"", ""}}, {345.1429, 0.8536799, "Meta"} -> 
    {{43432, 38566, 38257}, {"", ""}}, {138.0291, 0.95441395, "Meta"} -> 
    {{88006, 41024, 51550}, {"", ""}}, {172.0702, 0.99353826, "Meta"} -> 
    {{2.33*^7, 2.48*^7, 2.29*^7}, {"", ""}}, {167.1155, 1.0165, "Meta"} -> 
    {{466872, 480697, 501042}, {"", ""}}, {374.102, 1.0232002, "Meta"} -> 
    {{1, 85390, 66606}, {"", ""}}, {143.0731, 1.2776923, "Meta"} -> 
    {{270389, 269293, 269683}, {"", ""}}, {145.0524, 1.2775834, "Meta"} -> 
    {{507293, 1, 1}, {"Isoquinoline N-oxide [ C9 H7 N O, db=90.43, \
overall=45.21, KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, 
   {219.1104, 1.44356, "Meta"} -> {{1, 41572, 23901}, 
     {"Pantothenic Acid [ C9 H17 N O5, db=54.47, overall=27.23, KEGG ID=, CAS \
ID=137-08-6 ]", "137-08-6"}}, {309.1688, 3.743654, "Meta"} -> 
    {{1, 1, 1}, {"Pro Pro Pro [ C15 H23 N3 O4, db=83.74, overall=41.87 ]", 
      ""}}, {579.254, 6.318081, "Meta"} -> {{77515, 72949, 67623}, 
     {"2-[[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-Ethane\
sulfonic acid [ C26 H45 N O9 S2, db=83.71, overall=41.85, HMP ID=HMDB02449, \
KEGG ID= ]", ""}}, {419.4932, 6.474, "Meta"} -> {{45803, 30884, 19586}, 
     {"", ""}}, {723.3073, 6.4805007, "Meta"} -> {{44074, 49905, 46493}, 
     {"", ""}}, {420.8636, 6.645, "Meta"} -> {{75498, 82632, 75364}, 
     {"", ""}}, {414.1035, 7.120406, "Meta"} -> {{1, 22123, 27813}, 
     {"", ""}}, {1517.675, 7.538903, "Meta"} -> {{48699, 71652, 58682}, 
     {"", ""}}, {1106.4865, 7.75332, "Meta"} -> {{68733, 91774, 1}, 
     {"", ""}}, {427.849, 7.8510604, "Meta"} -> {{116978, 119714, 116503}, 
     {"", ""}}, {239.9882, 8.1396, "Meta"} -> {{461219, 462218, 191522}, 
     {"", ""}}, {313.2252, 8.670879, "Meta"} -> {{1, 1, 27160}, {"", ""}}, 
   {465.1866, 8.675655, "Meta"} -> {{130427, 134577, 125478}, 
     {"Biotripyrrin-b [ C25 H27 N3 O6, db=43.66, overall=21.83, HMP \
ID=HMDB03324, KEGG ID= ]", ""}}, {602.3041, 9.497844, "Meta"} -> 
    {{16662, 20741, 16187}, {"", ""}}, {559.2988, 9.497002, "Meta"} -> 
    {{1, 1, 20853}, {"", ""}}, {263.127, 9.515958, "Meta"} -> 
    {{45063, 1, 34610}, {"", ""}}, {420.2259, 9.685075, "Meta"} -> 
    {{1, 35577, 32213}, 
     {"His His Lys [ C18 H28 N8 O4, db=54.50, overall=27.25 ]", ""}}, 
   {240.1338, 9.749299, "Meta"} -> {{73338, 74315, 62575}, {"", ""}}, 
   {176.0454, 9.963879, "Meta"} -> {{32183, 42239, 46870}, {"", ""}}, 
   {533.1125, 10.0555, "Meta"} -> {{33073, 23561, 18841}, 
     {"Indomethacin glucuronide [ C25 H24 Cl N O10, db=40.58, overall=20.29, \
KEGG ID=, CAS ID=75523-11-4 ]", "75523-11-4"}}, 
   {593.1437, 10.055286, "Meta"} -> {{40235, 31973, 21154}, {"", ""}}, 
   {536.1192, 10.055125, "Meta"} -> {{12751, 1, 1}, {"", ""}}, 
   {335.1544, 10.10977, "Meta"} -> {{1, 28532, 32774}, 
     {"Cys Leu Thr [ C13 H25 N3 O5 S, db=37.55, overall=18.77 ]", ""}}, 
   {630.2684, 10.324069, "Meta"} -> {{1, 38278, 32761}, {"", ""}}, 
   {219.129, 10.36744, "Meta"} -> {{28794, 46972, 100538}, {"", ""}}, 
   {250.1198, 10.418655, "Meta"} -> {{1, 29110, 1}, 
     {"Ubiquinone [ C14 H18 O4, db=60.72, overall=30.36, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {302.184, 10.730654, "Meta"} -> 
    {{35290, 40528, 28179}, {"", ""}}, {323.228, 10.9723625, "Meta"} -> 
    {{223414, 154140, 73744}, {"", ""}}, {171.162, 11.016933, "Meta"} -> 
    {{40017, 47635, 29582}, {"", ""}}, {564.3483, 11.143167, "Meta"} -> 
    {{1, 174925, 1}, {"", ""}}, {273.0832, 11.159881, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {503.2805, 11.289723, "Meta"} -> 
    {{20112, 21323, 23469}, {"", ""}}, {396.1934, 11.289607, "Meta"} -> 
    {{36275, 1, 35484}, {"Pregnenolone sulfate [ C21 H32 O5 S, db=58.26, \
overall=29.13, HMP ID=HMDB00774, KEGG ID= ]", ""}}, 
   {475.2532, 11.290502, "Meta"} -> {{1, 45336, 52196}, {"", ""}}, 
   {632.2486, 11.370108, "Meta"} -> {{1, 57461, 53078}, {"", ""}}, 
   {580.226, 11.39536, "Meta"} -> {{1, 1, 13627}, {"", ""}}, 
   {456.167, 11.397059, "Meta"} -> {{1, 31449, 25318}, {"", ""}}, 
   {395.3032, 11.612541, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {360.3347, 11.940929, "Meta"} -> {{21916, 1, 20211}, {"", ""}}, 
   {171.1081, 11.943874, "Meta"} -> {{357799, 469438, 500847}, {"", ""}}, 
   {396.2831, 12.028556, "Meta"} -> {{20197, 366901, 130679}, {"", ""}}, 
   {313.2616, 12.047375, "Meta"} -> {{787299, 535282, 264532}, {"", ""}}, 
   {842.5207, 12.128361, "Meta"} -> {{110896, 110616, 100554}, 
     {"Spiramycin 1 [ C43 H74 N2 O14, db=60.72, overall=30.36, KEGG \
ID=C01754, CAS ID=24916-50-5 ]", "24916-50-5"}}, 
   {604.1137, 12.167592, "Meta"} -> {{14052, 1, 1}, {"", ""}}, 
   {381.9989, 12.185469, "Meta"} -> {{17031, 12675, 15908}, {"", ""}}, 
   {572.2186, 12.2466, "Meta"} -> {{18722, 1, 1}, {"", ""}}, 
   {396.1641, 12.277833, "Meta"} -> {{1, 21833, 17961}, 
     {"Asn Tyr Thr [ C17 H24 N4 O7, db=61.81, overall=30.90 ]", ""}}, 
   {254.0726, 12.292558, "Meta"} -> {{25734, 28994, 20356}, 
     {"Acetaminophen-cysteine [ C11 H14 N2 O3 S, db=76.73, overall=38.36, \
KEGG ID=, CAS ID=64014-06-8 ]", "64014-06-8"}}, 
   {322.1171, 12.32875, "Meta"} -> {{72211, 1, 22723}, {"", ""}}, 
   {614.4236, 12.339584, "Meta"} -> {{167694, 1, 162743}, {"", ""}}, 
   {323.2098, 12.388596, "Meta"} -> {{84753, 63049, 1}, 
     {"Betaxolol(hydroxylation) [ C18 H29 N O4, db=71.49, overall=35.74, KEGG \
ID=, CAS ID=87549-35-7 ]", "87549-35-7"}}, {618.251, 12.430832, "Meta"} -> 
    {{1, 40158, 1}, {"", ""}}, {438.3565, 12.462166, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {724.4581, 12.46508, "Meta"} -> 
    {{1, 83112, 1}, {"", ""}}, {336.228, 12.510321, "Meta"} -> 
    {{97079, 140091, 106202}, {"15-epi-PGA1 [ C20 H32 O4, db=70.01, \
overall=35.01, Lipid ID=LMFA03010047, KEGG ID= ]", ""}}, 
   {431.3032, 12.516041, "Meta"} -> {{1, 477612, 414873}, {"", ""}}, 
   {339.2776, 12.558571, "Meta"} -> {{71297, 67967, 73686}, {"", ""}}, 
   {359.2849, 12.620791, "Meta"} -> {{18116, 42586, 1}, {"", ""}}, 
   {1120.5815, 12.721594, "Meta"} -> {{111254, 44267, 1}, {"", ""}}, 
   {360.0762, 12.647442, "Meta"} -> {{29389, 11498, 1}, {"", ""}}, 
   {870.5521, 12.68296, "Meta"} -> {{97729, 88049, 123247}, {"", ""}}, 
   {594.374, 12.7149315, "Meta"} -> {{72427, 69820, 1}, 
     {"7,8-Didehydroastaxanthin [ C40 H50 O4, db=74.93, overall=37.46, Lipid \
ID=LMPR01070051, KEGG ID= ]", ""}}, {909.6228, 12.728479, "Meta"} -> 
    {{91273, 77091, 68202}, {"", ""}}, {372.2657, 12.741412, "Meta"} -> 
    {{79131, 67510, 73143}, {"(22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid \
[ C24 H36 O3, db=63.76, overall=31.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {354.3241, 12.753935, "Meta"} -> {{28874, 31168, 33142}, {"", ""}}, 
   {633.4446, 12.767465, "Meta"} -> {{55648, 48413, 46892}, {"", ""}}, 
   {638.4002, 12.7673855, "Meta"} -> {{42112, 43741, 48989}, {"", ""}}, 
   {546.238, 12.80944, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {430.2145, 12.858498, "Meta"} -> {{40912, 50345, 51246}, {"", ""}}, 
   {381.2643, 12.864834, "Meta"} -> {{100444, 69663, 1}, 
     {"Sphinganine 1-phosphate [ C18 H40 N O5 P, db=61.19, overall=30.59, \
KEGG ID=C01120, CAS ID=19794-97-9 ]", "19794-97-9"}}, 
   {598.4292, 12.9028635, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {914.5791, 12.90653, "Meta"} -> {{57411, 64861, 70645}, {"", ""}}, 
   {909.6228, 12.903775, "Meta"} -> {{49694, 60303, 38260}, {"", ""}}, 
   {262.1504, 12.906483, "Meta"} -> {{104450, 1, 28172}, {"", ""}}, 
   {1613.9202, 12.9604435, "Meta"} -> {{202698, 125243, 1}, {"", ""}}, 
   {519.8025, 12.93093, "Meta"} -> {{18608, 17604, 1}, {"", ""}}, 
   {982.6032, 12.922208, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1024.6497, 12.9421835, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1148.6115, 12.963801, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {507.3326, 12.98204, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1559.8555, 12.970627, "Meta"} -> {{22034, 21206, 1}, {"", ""}}, 
   {1042.6005, 12.993199, "Meta"} -> {{1, 1, 192558}, {"", ""}}, 
   {1037.118, 13.003001, "Meta"} -> {{30333, 1, 1}, {"", ""}}, 
   {427.3661, 13.001041, "Meta"} -> {{1, 1, 1}, {"Stearoylcarnitine [ C25 H49 \
N O4, db=99.56, overall=49.78, HMP ID=HMDB00848, KEGG ID= ]", ""}}, 
   {1065.1241, 13.043728, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {3153.9402, 13.013799, "Meta"} -> {{1, 140577, 35228}, {"", ""}}, 
   {1062.6643, 13.043032, "Meta"} -> {{302811, 1, 2781687}, {"", ""}}, 
   {1691.9418, 13.075117, "Meta"} -> {{38935, 1, 1}, {"", ""}}, 
   {1124.6125, 13.074121, "Meta"} -> {{482729, 270398, 1}, {"", ""}}, 
   {840.5426, 13.075176, "Meta"} -> {{270318, 277091, 1}, {"", ""}}, 
   {1610.915, 13.078408, "Meta"} -> {{165597, 214858, 1}, {"", ""}}, 
   {183.0655, 13.115752, "Meta"} -> {{22225, 82672, 1}, {"", ""}}, 
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   {1030.697, 13.476875, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
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   {330.2768, 13.61125, "Meta"} -> {{346122, 1, 131713}, 
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    {{1, 1, 1}, {"", ""}}, {1343.0792, 13.708042, "Meta"} -> 
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    {{20479, 1, 1}, {"7-hydroxy-5-heptynoic acid [ C7 H10 O3, db=77.60, \
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   {429.3453, 13.92668, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {457.2311, 13.933417, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {625.5645, 13.932321, "Meta"} -> {{1, 1, 1}, {"1,3-di-(9Z-octadecenoyl)-2-\
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    {{1, 1, 1}, {"Betamethasone [ C22 H29 F O5, db=56.48, overall=28.24, KEGG \
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    {{1, 1, 1}, {"", ""}}, {905.6038, 13.9305, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {326.2818, 13.934208, "Meta"} -> 
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   {368.3293, 13.973274, "Meta"} -> {{52476, 42380, 40470}, 
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    {{1, 1, 1}, {"", ""}}, {1130.752, 14.0565195, "Meta"} -> 
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    {{1, 1, 1}, {"", ""}}, {442.3058, 14.054035, "Meta"} -> 
    {{344576, 288377, 316225}, {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradeh\
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   {314.2219, 14.110887, "Meta"} -> {{620112, 593089, 485609}, 
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    {{1, 1, 22077}, {"", ""}}, {1107.9249, 14.142357, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {889.6583, 14.144666, "Meta"} -> 
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   {248.2501, 14.149543, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {467.2466, 14.092066, "Meta"} -> {{17698, 27225, 17170}, 
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    {{1, 1, 1}, {"", ""}}, {1130.8466, 14.151208, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {471.2462, 14.144727, "Meta"} -> 
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   {540.4366, 14.265166, "Meta"} -> {{1, 142271, 179529}, {"", ""}}, 
   {537.5111, 14.26788, "Meta"} -> {{1, 1, 1}, {"N-Palmitoylsphingosine [ C34 \
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   {120.0925, 14.28412, "Meta"} -> {{1, 28764, 1}, {"", ""}}, 
   {493.3546, 14.284119, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {462.2603, 14.291335, "Meta"} -> {{1, 11778, 1}, 
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    {{1, 1, 18365}, {"", ""}}, {1929.2153, 14.301193, "Meta"} -> 
    {{93128, 1, 33854}, {"", ""}}, {1919.2993, 14.301039, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {678.0978, 14.303559, "Meta"} -> 
    {{1, 34627, 1}, {"", ""}}, {660.1179, 14.307345, "Meta"} -> 
    {{1, 38136, 57725}, {"", ""}}, {616.0923, 14.309033, "Meta"} -> 
    {{55073, 16766, 52810}, {"", ""}}, {1968.2823, 14.29344, "Meta"} -> 
    {{50184, 48182, 42228}, {"", ""}}, {557.4655, 14.3256235, "Meta"} -> 
    {{1, 58386, 79870}, {"", ""}}, {210.1611, 14.326935, "Meta"} -> 
    {{16469, 22997, 15278}, {"3E,5E-tridecadienoic acid [ C13 H22 O2, \
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   {280.2406, 14.322849, "Meta"} -> {{1, 187951, 162222}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=82.66, overall=41.33, \
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    {{1, 244459, 277391}, {"", ""}}, {1224.7938, 14.333634, "Meta"} -> 
    {{104252, 96418, 82788}, {"", ""}}, {1158.784, 14.347498, "Meta"} -> 
    {{69553, 46538, 55196}, {"", ""}}, {412.258, 14.357724, "Meta"} -> 
    {{1, 1.03*^7, 9393157}, {"", ""}}, {224.1775, 14.381326, "Meta"} -> 
    {{109179, 1, 130103}, {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, \
db=80.34, overall=40.17, Lipid ID=, KEGG ID= ]", ""}}, 
   {540.3789, 14.368897, "Meta"} -> {{1, 284300, 270504}, {"", ""}}, 
   {266.2606, 14.390668, "Meta"} -> {{1, 1, 1}, {"3E,13Z-octadecadien-1-ol [ \
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   {1987.2571, 14.389832, "Meta"} -> {{42821, 41033, 33589}, {"", ""}}, 
   {644.4889, 14.399479, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {782.5681, 14.399292, "Meta"} -> {{426831, 577670, 1}, 
     {"GPCho(18:1(9Z)/18:3(9Z,12Z,15Z)[U]) [ C44 H81 N O8 P, db=94.15, \
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   {1982.2996, 14.399588, "Meta"} -> {{88437, 110131, 1}, {"", ""}}, 
   {1977.3427, 14.395542, "Meta"} -> {{72868, 42955, 82944}, {"", ""}}, 
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   {539.2676, 14.406583, "Meta"} -> {{18392, 17878, 1}, {"", ""}}, 
   {258.1832, 14.399001, "Meta"} -> {{23328, 39151, 24105}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=63.45, overall=31.73, \
Lipid ID=, KEGG ID= ]", ""}}, {1674.1147, 14.420113, "Meta"} -> 
    {{350756, 272501, 290502}, {"", ""}}, {1669.1595, 14.419, "Meta"} -> 
    {{177375, 1, 263664}, {"", ""}}, {607.7394, 14.417484, "Meta"} -> 
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    {{1, 1, 1}, {"", ""}}, {410.3766, 14.434156, "Meta"} -> 
    {{47529, 57551, 44264}, {"", ""}}, {1458.941, 14.442542, "Meta"} -> 
    {{1, 1, 129662}, {"", ""}}, {1360.9753, 14.447921, "Meta"} -> 
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    {{1, 84618, 47842}, {"", ""}}, {433.3763, 14.454422, "Meta"} -> 
    {{1, 1, 1}, {"(+/-)N-(2-fluro-ethyl)-2,16,16-trimethyl-5Z,8Z,11Z,14Z-tric\
osatetraenoyl amine [ C28 H48 F N O, db=67.24, overall=33.62, Lipid ID=, KEGG \
ID= ]", ""}}, {450.3702, 14.42675, "Meta"} -> {{314576, 1, 317230}, 
     {"3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-one [ C28 H50 O4, \
db=86.51, overall=43.25, Lipid ID=, KEGG ID= ]", ""}}, 
   {998.7598, 14.480124, "Meta"} -> {{1, 1, 23475}, {"", ""}}, 
   {568.4706, 14.499832, "Meta"} -> {{1, 103045, 1}, {"", ""}}, 
   {640.1112, 14.502998, "Meta"} -> {{34092, 56322, 51219}, {"", ""}}, 
   {537.4164, 14.511375, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1859.2772, 14.508418, "Meta"} -> {{1, 102648, 133324}, {"", ""}}, 
   {820.8858, 14.511085, "Meta"} -> {{1, 67299, 1}, 
     {"Iohexol [ C19 H26 I3 N3 O9, db=28.84, overall=14.42, KEGG ID=, CAS \
ID=66108-95-0 ]", "66108-95-0"}}, {403.3657, 14.511079, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {484.3078, 14.513251, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {556.449, 14.513818, "Meta"} -> 
    {{271067, 197817, 221599}, {"", ""}}, {1727.2, 14.51852, "Meta"} -> 
    {{117488, 1, 1}, {"", ""}}, {371.3507, 14.486881, "Meta"} -> 
    {{9849, 10295, 18527}, {"", ""}}, {1428.9324, 14.556345, "Meta"} -> 
    {{38380, 29724, 31238}, {"", ""}}, {246.2343, 14.558037, "Meta"} -> 
    {{15789, 16495, 1}, {"Dodecylbenzene [ C18 H30, db=85.43, overall=42.71, \
HMP ID=HMDB03542, KEGG ID= ]", ""}}, {704.547, 14.558501, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {353.239, 14.559209, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {320.307, 14.586639, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {674.1341, 14.583749, "Meta"} -> 
    {{45076, 61859, 58807}, {"", ""}}, {1922.2782, 14.597296, "Meta"} -> 
    {{105114, 68331, 1}, {"", ""}}, {648.6536, 14.599898, "Meta"} -> 
    {{24606, 21215, 1}, {"", ""}}, {721.5625, 14.639969, "Meta"} -> 
    {{78184, 91604, 47761}, {"", ""}}, {796.2077, 14.596042, "Meta"} -> 
    {{35960, 35256, 84987}, {"", ""}}, {356.3766, 14.611617, "Meta"} -> 
    {{17441, 34610, 15772}, {"", ""}}, {729.6274, 14.614373, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {616.4684, 14.621041, "Meta"} -> 
    {{1.56*^7, 1, 1}, {"", ""}}, {292.1672, 14.630277, "Meta"} -> 
    {{35671, 63628, 1}, {"", ""}}, {783.0571, 14.639333, "Meta"} -> 
    {{50848, 72449, 1}, {"", ""}}, {516.2764, 14.643195, "Meta"} -> 
    {{21540, 19987, 1}, {"", ""}}, {126.1405, 14.642334, "Meta"} -> 
    {{1, 36978, 1}, {"", ""}}, {449.3507, 14.649598, "Meta"} -> 
    {{1, 160734, 1}, {"", ""}}, {714.5294, 14.645124, "Meta"} -> 
    {{265543, 155163, 236846}, {"1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-(4\
Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol [ C47 H70 O5, db=26.90, \
overall=13.45, KEGG ID=, CAS ID= ]", ""}}, {148.0158, 14.662999, "Meta"} -> 
    {{1, 75278, 1}, {"", ""}}, {1975.3611, 14.680179, "Meta"} -> 
    {{44081, 72239, 58195}, {"", ""}}, {1304.9498, 14.676501, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1288.9882, 14.677895, "Meta"} -> 
    {{1, 52126, 1}, {"", ""}}, {314.2456, 14.663063, "Meta"} -> 
    {{475658, 435327, 423730}, {"Octadecanedioic acid [ C18 H34 O4, db=84.30, \
overall=42.15, HMP ID=HMDB00782, KEGG ID= ]", ""}}, 
   {1887.3066, 14.691118, "Meta"} -> {{54745, 111444, 68457}, {"", ""}}, 
   {718.5628, 14.687387, "Meta"} -> {{52436, 63935, 1}, {"", ""}}, 
   {623.4396, 14.6919565, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {645.6059, 14.685749, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {628.3971, 14.698038, "Meta"} -> {{65810, 1, 1}, {"", ""}}, 
   {1843.2805, 14.697259, "Meta"} -> {{76778, 77341, 1}, {"", ""}}, 
   {648.5186, 14.694042, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {408.3972, 14.705543, "Meta"} -> {{1, 1, 1}, {"2,4-dimethyl-2-pentacosenoi\
c acid [ C27 H52 O2, db=74.43, overall=37.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {1226.7506, 14.711852, "Meta"} -> {{1, 32580, 1}, 
     {"Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=97.82, \
overall=48.91, HMP ID=HMDB04902, KEGG ID= ]", ""}}, 
   {645.4183, 14.717676, "Meta"} -> {{204550, 132257, 252673}, {"", ""}}, 
   {698.468, 14.730161, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {758.5008, 14.730802, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {337.2991, 14.743073, "Meta"} -> {{69641, 1, 1}, {"", ""}}, 
   {567.4826, 14.741691, "Meta"} -> {{1, 115931, 1}, {"", ""}}, 
   {335.2823, 14.734916, "Meta"} -> {{194978, 355808, 1}, {"", ""}}, 
   {224.1774, 14.743076, "Meta"} -> {{1, 1, 42136}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=58.15, overall=29.08, \
Lipid ID=, KEGG ID= ]", ""}}, {311.2823, 14.741, "Meta"} -> 
    {{1, 302237, 134316}, {"", ""}}, {410.3415, 14.759458, "Meta"} -> 
    {{1, 1, 249222}, {"", ""}}, {578.4528, 14.761768, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {821.8807, 14.768291, "Meta"} -> 
    {{52208, 50372, 41281}, {"", ""}}, {454.306, 14.7669325, "Meta"} -> 
    {{1, 125147, 68173}, {"26,26,26-trifluoro-25-hydroxyvitamin D3 / \
26,26,26-trifluoro-25-hydroxycholecalciferol [ C27 H41 F3 O2, db=96.49, \
overall=48.25, Lipid ID=LMST03020131, KEGG ID= ]", ""}}, 
   {754.4952, 14.762309, "Meta"} -> {{1, 23222, 1}, {"", ""}}, 
   {544.4848, 14.776436, "Meta"} -> {{64177, 57579, 66525}, {"", ""}}, 
   {1023.6713, 14.774457, "Meta"} -> {{1, 15612, 1}, 
     {"Trihexosylceramide (d18:1/16:0) [ C52 H97 N O18, db=90.02, \
overall=45.01, HMP ID=HMDB04879, KEGG ID= ]", ""}}, 
   {278.1698, 14.775679, "Meta"} -> {{35505, 38858, 1}, {"", ""}}, 
   {647.6214, 14.772876, "Meta"} -> {{1, 1, 1}, {"Ceramide (d18:1/24:1(15Z)) \
[ C42 H81 N O3, db=98.12, overall=49.06, HMP ID=HMDB04953, KEGG ID= ]", ""}}, 
   {434.3759, 14.783721, "Meta"} -> {{1, 1, 1}, {"6-deoxoteasterone [ C28 H50 \
O3, db=63.15, overall=31.57, Lipid ID=LMST01030120, KEGG ID= ]", ""}}, 
   {724.4845, 14.780425, "Meta"} -> {{1, 44341, 1}, {"", ""}}, 
   {406.3782, 14.821377, "Meta"} -> {{20800, 9548, 1}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=55.72, \
overall=27.86, Lipid ID=, KEGG ID= ]", ""}}, {704.5472, 14.802679, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1249.0677, 14.813335, "Meta"} -> 
    {{18342, 15703, 1}, {"", ""}}, {843.4971, 14.847156, "Meta"} -> 
    {{1, 31826, 1}, {"", ""}}, {2045.5883, 14.842042, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {2720.1182, 14.840377, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {2061.5564, 14.8452215, "Meta"} -> 
    {{1, 23279, 1}, {"", ""}}, {1239.9836, 14.848166, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1387.0208, 14.848454, "Meta"} -> 
    {{42227, 108157, 1}, {"", ""}}, {565.4473, 14.858251, "Meta"} -> 
    {{1, 60675, 1}, {"", ""}}, {1226.951, 14.852665, "Meta"} -> 
    {{1, 24332, 1}, {"", ""}}, {1419.0518, 14.88988, "Meta"} -> 
    {{17071, 23724, 1}, {"", ""}}, {455.3974, 14.8894205, "Meta"} -> 
    {{1, 1, 322328}, {"", ""}}, {483.4287, 14.892069, "Meta"} -> 
    {{1, 1, 446454}, {"", ""}}, {1375.0894, 14.895823, "Meta"} -> 
    {{1, 61021, 1}, {"", ""}}, {469.413, 14.892142, "Meta"} -> 
    {{28528, 58508, 1670487}, {"", ""}}, {280.2035, 14.893897, "Meta"} -> 
    {{1, 1, 464887}, 
     {"12S-HHTrE [ C17 H28 O3, db=88.18, overall=44.09, KEGG ID=, CAS ID= ]", 
      ""}}, {2113.588, 14.897228, "Meta"} -> {{1, 24161, 1}, {"", ""}}, 
   {1292.0153, 14.903293, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {2139.604, 14.913654, "Meta"} -> {{20111, 67926, 1}, {"", ""}}, 
   {1521.0576, 14.912457, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {738.4997, 14.919686, "Meta"} -> {{480156, 522278, 1}, {"", ""}}, 
   {1885.4286, 14.923374, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {892.7136, 14.926122, "Meta"} -> {{1, 16376, 1}, {"", ""}}, 
   {406.3781, 14.850402, "Meta"} -> {{1, 18372, 1}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=63.39, \
overall=31.69, Lipid ID=, KEGG ID= ]", ""}}, {607.4578, 14.934502, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1389.1053, 14.947632, "Meta"} -> 
    {{1, 47035, 1}, {"", ""}}, {1363.0868, 14.951377, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1415.0522, 14.961962, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {857.512, 14.964919, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1142.867, 14.976418, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1266.9861, 14.97788, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1154.8688, 14.982498, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {390.277, 15.002232, "Meta"} -> 
    {{1, 150291, 1}, {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 \
H38 O4, db=85.91, overall=42.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {752.5832, 15.019201, "Meta"} -> {{1, 35310, 1}, {"", ""}}, 
   {484.3526, 15.004758, "Meta"} -> {{22480, 26748, 27042}, 
     {"(22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimethyl-23,24-tetradehydro-\
20-epivitamin D3 / (22S)-1alph [ C31 H48 O4, db=66.11, overall=33.06, Lipid \
ID=LMST03020487, KEGG ID= ]", ""}}, {367.3811, 15.008845, "Meta"} -> 
    {{12885, 1, 1}, {"", ""}}, {677.5002, 15.038733, "Meta"} -> 
    {{1, 1, 1}, {"GPEtn(13:0/18:0)[U] [ C36 H72 N O8 P, db=95.91, \
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   {1391.1198, 15.0320015, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1454.0837, 15.034749, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1380.0681, 15.047085, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {755.4903, 15.05794, "Meta"} -> {{119842, 138348, 93462}, {"", ""}}, 
   {784.5607, 15.058108, "Meta"} -> {{1, 49788, 78381}, {"", ""}}, 
   {758.4878, 15.060915, "Meta"} -> {{264621, 322764, 244348}, {"", ""}}, 
   {818.5122, 15.060144, "Meta"} -> {{335837, 206038, 215124}, {"", ""}}, 
   {737.5, 15.062039, "Meta"} -> {{141412, 1, 1}, {"", ""}}, 
   {1283.0142, 15.076242, "Meta"} -> {{352512, 415057, 259093}, {"", ""}}, 
   {2171.6577, 15.092257, "Meta"} -> {{1, 86379, 1}, {"", ""}}, 
   {995.0105, 15.10904, "Meta"} -> {{66068, 61356, 1}, {"", ""}}, 
   {488.4462, 15.100375, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1469.0988, 15.108223, "Meta"} -> {{1, 283890, 1}, {"", ""}}, 
   {1506.1136, 15.1095, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {471.3568, 15.111719, "Meta"} -> {{1, 1, 28132}, {"", ""}}, 
   {1322.0612, 15.118584, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {828.6716, 15.138119, "Meta"} -> {{1, 38583, 1}, {"", ""}}, 
   {593.4785, 15.136201, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {697.5053, 15.145536, "Meta"} -> {{1, 44624, 1}, 
     {"1-tetrahexanoyl-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolam\
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   {803.5472, 15.149806, "Meta"} -> {{264675, 500486, 1}, {"", ""}}, 
   {619.4939, 15.1440735, "Meta"} -> {{1, 42990, 1}, 
     {"CerP(d18:0/16:0) [ C34 H70 N O6 P, db=93.09, overall=46.55, Lipid \
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    {{1, 1, 1}, {"", ""}}, {622.4963, 15.142163, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {820.6892, 15.14996, "Meta"} -> 
    {{1, 27128, 1}, {"", ""}}, {893.5938, 15.154918, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {663.5204, 15.159599, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {779.5471, 15.188432, "Meta"} -> 
    {{3914432, 6105688, 1}, {"", ""}}, {851.5445, 15.182407, "Meta"} -> 
    {{1, 208876, 1}, {"", ""}}, {805.5616, 15.247258, "Meta"} -> 
    {{5138139, 7042827, 3388485}, {"Galabiosylceramide (d18:1/12:0) [ C42 H79 \
N O13, db=66.51, overall=33.26, HMP ID=HMDB04831, KEGG ID= ]", ""}}, 
   {1489.1093, 15.274734, "Meta"} -> {{1, 267487, 97371}, {"", ""}}, 
   {719.5459, 15.309272, "Meta"} -> {{45350, 46545, 32089}, 
     {"GPEtn(20:0/14:0)[U] [ C39 H78 N O8 P, db=86.95, overall=43.48, Lipid \
ID=LMGP02010177, KEGG ID= ]", ""}}, {1571.0496, 15.31023, "Meta"} -> 
    {{1, 431796, 253235}, {"", ""}}, {725.5362, 15.288499, "Meta"} -> 
    {{1, 1, 338803}, {"", ""}}, {873.5031, 15.313261, "Meta"} -> 
    {{1, 1, 198110}, {"", ""}}, {756.6148, 15.312764, "Meta"} -> 
    {{510089, 601583, 438330}, {"", ""}}, {1547.1289, 15.317959, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1573.1439, 15.344415, "Meta"} -> 
    {{1, 174677, 1}, {"", ""}}, {1549.1458, 15.37693, "Meta"} -> 
    {{1, 371958, 126382}, {"", ""}}, {782.6284, 15.348928, "Meta"} -> 
    {{153923, 238964, 1}, {"", ""}}, {952.5369, 15.360694, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1525.1418, 15.393956, "Meta"} -> 
    {{224344, 223444, 87560}, {"", ""}}, {1491.1252, 15.387623, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {775.5518, 15.381926, "Meta"} -> 
    {{655022, 505596, 397924}, {"", ""}}, {875.5185, 15.418427, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1595.19, 15.493964, "Meta"} -> 
    {{516431, 1, 1}, {"", ""}}, {1579.1923, 15.52975, "Meta"} -> 
    {{1, 1, 59701}, {"", ""}}, {954.5526, 15.542758, "Meta"} -> 
    {{1, 360460, 1}, {"", ""}}, {1557.2059, 15.597347, "Meta"} -> 
    {{1, 62323, 1}, {"", ""}}, {909.5775, 15.618968, "Meta"} -> 
    {{338328, 162337, 32173}, {"", ""}}, {1573.2028, 15.661559, "Meta"} -> 
    {{1, 464324, 1}, {"", ""}}, {1559.2216, 15.669201, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {602.5269, 15.669942, "Meta"} -> 
    {{18034, 17065, 34431}, {"1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-\
octanyl)-sn-glycerol [ C39 H70 O4, db=63.29, overall=31.64, Lipid ID=, KEGG \
ID= ]", ""}}, {843.6118, 15.722835, "Meta"} -> {{1, 360400, 1}, {"", ""}}, 
   {834.6468, 15.719202, "Meta"} -> {{22228, 1, 1}, {"", ""}}, 
   {621.6059, 15.754334, "Meta"} -> {{1, 21356, 1}, 
     {"Ceramide (d18:1/22:0) [ C40 H79 N O3, db=87.19, overall=43.60, HMP \
ID=HMDB04952, KEGG ID= ]", ""}}, {838.6273, 15.792639, "Meta"} -> 
    {{1, 1, 1}, {"GPCho(20:0/20:4(5Z,8Z,11Z,14Z)) [ C48 H89 N O8 P, db=55.85, \
overall=27.93, Lipid ID=LMGP01011023, KEGG ID= ]", ""}}, 
   {656.5704, 15.817416, "Meta"} -> {{1, 1, 24269}, {"", ""}}, 
   {582.4434, 15.824362, "Meta"} -> {{1, 1, 1}, {"Spheroidenone [ C41 H58 O2, \
db=89.48, overall=44.74, Lipid ID=LMPR01070121, KEGG ID= ]", ""}}, 
   {604.5427, 15.825538, "Meta"} -> {{1, 11942, 1}, {"", ""}}, 
   {639.5801, 15.833317, "Meta"} -> {{39187, 30157, 25938}, {"", ""}}, 
   {635.6218, 15.840301, "Meta"} -> {{1, 42899, 1}, 
     {"Tricosanamide [ C41 H81 N O3, db=95.86, overall=47.93, HMP \
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    {{1, 1, 1}, {"", ""}}, {564.3964, 15.855876, "Meta"} -> 
    {{1, 1, 1}, {"Alloxanthin/ Tetradehydrozeaxanthin / (Cynthiaxanthin)/ \
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    {{1, 268126, 1}, {"", ""}}, {840.7075, 15.923631, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1018.6208, 15.944415, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {815.6404, 15.987547, "Meta"} -> 
    {{77250, 75183, 45266}, {"", ""}}, {619.6265, 15.961481, "Meta"} -> 
    {{1, 11420, 1}, {"", ""}}, {828.7082, 15.996313, "Meta"} -> 
    {{1, 59303, 48096}, {"", ""}}, {624.5694, 16.028141, "Meta"} -> 
    {{1, 1, 1}, {"1-hexadecanoyl-2-eicosanoyl-sn-glycerol [ C39 H76 O5, \
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   {793.5295, 16.028925, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {684.6018, 16.037434, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {647.6577, 16.104456, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {901.6918, 16.16311, "Meta"} -> {{1, 179053, 1}, {"", ""}}, 
   {851.6773, 16.1885, "Meta"} -> {{1, 299919, 1}, {"", ""}}, 
   {1046.6519, 16.208208, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {915.6391, 16.21967, "Meta"} -> {{1, 45834, 1}, {"", ""}}, 
   {674.5822, 16.300085, "Meta"} -> {{1, 1, 1}, {"1-(9Z,12Z,15Z-octadecatrien\
oyl)-2-docosanoyl-sn-glycerol [ C43 H78 O5, db=84.09, overall=42.05, KEGG \
ID=, CAS ID= ]", ""}}, {669.6272, 16.306915, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {599.7973, 0.40380767, "Meta"} -> 
    {{18324, 20031, 18793}, {"", ""}}, {657.758, 0.40885717, "Meta"} -> 
    {{19496, 1, 10297}, {"", ""}}, {294.0586, 0.8043199, "Meta"} -> 
    {{145895, 130985, 137483}, {"2-Butanone, 4-[6-(sulfooxy)-2-naphthalenyl]- \
[ C14 H14 O5 S, db=75.51, overall=37.75, KEGG ID=, CAS ID=91488-18-5 ]", 
      "91488-18-5"}}, {281.1835, 0.9314584, "Meta"} -> 
    {{45910, 1, 1}, {"", ""}}, {398.103, 10.056501, "Meta"} -> 
    {{130114, 153784, 145876}, {"7-Deoxyadriamycinone [ C21 H18 O8, db=72.55, \
overall=36.27, KEGG ID=, CAS ID=38554-25-5 ]", "38554-25-5"}}, 
   {316.1655, 12.127219, "Meta"} -> {{18487, 21251, 24765}, 
     {"Gibberellin A9 [ C19 H24 O4, db=70.57, overall=35.28, Lipid \
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    {{20332, 19333, 15879}, {"", ""}}, {575.2531, 12.914229, "Meta"} -> 
    {{96182, 66700, 1}, {"", ""}}, {2673.578, 13.020778, "Meta"} -> 
    {{182333, 105748, 1}, {"", ""}}, {1089.123, 13.053888, "Meta"} -> 
    {{214538, 178044, 1}, {"", ""}}, {171.1082, 13.161032, "Meta"} -> 
    {{118754, 121495, 160566}, {"", ""}}, {1128.6443, 13.308519, "Meta"} -> 
    {{228398, 218001, 93133}, {"", ""}}, {1054.6296, 13.4031925, "Meta"} -> 
    {{171528, 150312, 1}, {"", ""}}, {354.2764, 13.447666, "Meta"} -> 
    {{123853, 91678, 1}, {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 \
O4, db=81.00, overall=40.50, KEGG ID=, CAS ID= ]", ""}}, 
   {404.2564, 13.470193, "Meta"} -> {{58065, 62718, 70598}, 
     {"3alpha-Hydroxy-1,7-dioxo-5beta-cholan-24-oic Acid [ C24 H36 O5, \
db=54.21, overall=27.10, Lipid ID=, KEGG ID= ]", ""}}, 
   {393.345, 13.526668, "Meta"} -> {{50451, 33904, 1}, {"", ""}}, 
   {924.666, 13.533161, "Meta"} -> {{141902, 106625, 1}, {"", ""}}, 
   {669.1917, 13.736482, "Meta"} -> {{297920, 208671, 268209}, {"", ""}}, 
   {1290.8967, 13.782408, "Meta"} -> {{297185, 259194, 255363}, {"", ""}}, 
   {635.9026, 13.919742, "Meta"} -> {{119907, 103455, 104848}, {"", ""}}, 
   {635.3999, 13.91975, "Meta"} -> {{241917, 237379, 220400}, {"", ""}}, 
   {516.3801, 14.114333, "Meta"} -> {{632248, 784228, 658873}, {"", ""}}, 
   {511.1689, 14.181082, "Meta"} -> {{103373, 95401, 76036}, {"", ""}}, 
   {931.215, 14.176583, "Meta"} -> {{177319, 202408, 185213}, {"", ""}}, 
   {586.1548, 14.178291, "Meta"} -> {{80147, 73946, 75786}, {"", ""}}, 
   {1359.9429, 14.191167, "Meta"} -> {{839925, 799954, 779376}, {"", ""}}, 
   {1320.8715, 14.194332, "Meta"} -> {{497408, 189668, 1}, {"", ""}}, 
   {380.2015, 14.26752, "Meta"} -> {{15350, 1, 1}, {"fludrocortisone [ C21 \
H29 F O5, db=74.03, overall=37.01, KEGG ID=C07004, CAS ID=127-31-1 ]", 
      "127-31-1"}}, {619.3965, 14.305385, "Meta"} -> 
    {{93105, 27232, 63635}, {"", ""}}, {356.3763, 14.378928, "Meta"} -> 
    {{17879, 19577, 28552}, {"", ""}}, {1889.2896, 14.402522, "Meta"} -> 
    {{91137, 116418, 121701}, {"", ""}}, {650.1152, 14.411629, "Meta"} -> 
    {{44159, 1, 41457}, {"", ""}}, {1767.123, 14.413298, "Meta"} -> 
    {{152464, 98484, 96385}, {"", ""}}, {1679.0721, 14.423563, "Meta"} -> 
    {{165512, 159276, 111849}, {"", ""}}, {368.2238, 14.477722, "Meta"} -> 
    {{40274, 45640, 27087}, {"Cinnarizine [ C26 H28 N2, db=69.13, \
overall=34.57, KEGG ID=, CAS ID=298-57-7 ]", "298-57-7"}}, 
   {1917.3203, 14.597922, "Meta"} -> {{82094, 113688, 126416}, {"", ""}}, 
   {647.4032, 14.609459, "Meta"} -> {{569826, 319764, 1}, {"", ""}}, 
   {500.3232, 14.654705, "Meta"} -> {{28409, 1, 1}, {"", ""}}, 
   {1521.0833, 14.646523, "Meta"} -> {{50055, 72091, 46269}, {"", ""}}, 
   {1526.0391, 14.64763, "Meta"} -> {{57014, 42234, 1}, {"", ""}}, 
   {1443.0833, 15.060664, "Meta"} -> {{588613, 813841, 443968}, {"", ""}}, 
   {723.521, 15.2196665, "Meta"} -> {{1966726, 2759726, 1051608}, {"", ""}}, 
   {921.5034, 15.239142, "Meta"} -> {{29093, 45540, 24680}, {"", ""}}, 
   {788.0411, 15.420655, "Meta"} -> {{50579, 71540, 1}, {"", ""}}, 
   {841.5162, 15.547038, "Meta"} -> {{103370, 131065, 1}, {"", ""}}, 
   {850.624, 15.728799, "Meta"} -> {{436410, 552083, 165749}, {"", ""}}, 
   {517.7982, 0.4096, "Meta"} -> {{1, 20485, 18540}, {"", ""}}, 
   {666.2423, 12.18948, "Meta"} -> {{1, 30784, 1}, {"", ""}}, 
   {572.2543, 12.91816, "Meta"} -> {{1, 45195, 20696}, {"", ""}}, 
   {1595.9451, 12.915928, "Meta"} -> {{1, 58793, 1}, {"", ""}}, 
   {3109.9707, 13.280482, "Meta"} -> {{1, 255266, 1}, {"", ""}}, 
   {545.3454, 13.662582, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {688.2758, 13.875841, "Meta"} -> {{1, 27825, 34603}, {"", ""}}, 
   {1489.1554, 14.143559, "Meta"} -> {{1, 66992, 1}, {"", ""}}, 
   {1390.9865, 14.3234005, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {530.4326, 14.391999, "Meta"} -> {{1, 1, 25405}, {"", ""}}, 
   {594.4261, 14.674281, "Meta"} -> {{1, 648465, 747720}, {"", ""}}, 
   {1457.1663, 15.1218405, "Meta"} -> {{1, 84542, 1}, {"", ""}}, 
   {2310.636, 15.30744, "Meta"} -> {{1, 254768, 168489}, {"", ""}}, 
   {467.2173, 13.542123, "Meta"} -> {{1, 1, 1}, {"Levobunolol glucuronide [ \
C23 H33 N O9, db=57.86, overall=28.93, KEGG ID=, CAS ID=66171-80-0 ]", 
      "66171-80-0"}}, {1498.9567, 13.811957, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {356.2327, 13.884462, "Meta"} -> 
    {{1, 1, 1}, {"Estradiol valerate [ C23 H32 O3, db=46.24, overall=23.12, \
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   {406.3805, 14.560919, "Meta"} -> {{1, 20387, 1}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=58.66, \
overall=29.33, Lipid ID=, KEGG ID= ]", ""}}, {422.3396, 14.760127, "Meta"} -> 
    {{1, 1, 92876}, {"", ""}}|>, 
 "12" -> <|{202.0329, 0.33260712, "Meta"} -> {{379199, 318487, 1}, {"", ""}}, 
   {174.0375, 0.33451426, "Meta"} -> {{91225, 105556, 126395}, {"", ""}}, 
   {142.012, 0.3335833, "Meta"} -> {{319516, 327144, 322105}, {"", ""}}, 
   {100.0009, 0.33358333, "Meta"} -> {{38399, 36451, 40681}, {"", ""}}, 
   {81.9906, 0.33332258, "Meta"} -> {{38959, 33297, 36021}, {"", ""}}, 
   {942.9842, 0.34920588, "Meta"} -> {{131369, 126064, 122694}, {"", ""}}, 
   {146.1052, 0.34577778, "Meta"} -> {{106603, 101895, 93152}, 
     {"Lysine [ C6 H14 N2 O2, db=85.61, overall=42.81, KEGG ID=C00047, CAS \
ID=56-87-1 ]", "56-87-1"}}, {261.9746, 0.34792307, "Meta"} -> 
    {{36558, 32229, 1}, {"", ""}}, {327.9996, 0.35123524, "Meta"} -> 
    {{33133, 33147, 33905}, {"", ""}}, {410.0024, 0.35388887, "Meta"} -> 
    {{26700, 32296, 25456}, {"", ""}}, {492.0044, 0.3583055, "Meta"} -> 
    {{80588, 44365, 77650}, {"", ""}}, {671.9891, 0.3621072, "Meta"} -> 
    {{17112, 10221, 16345}, {"", ""}}, {574.0073, 0.3586285, "Meta"} -> 
    {{34879, 30971, 33570}, {"", ""}}, {589.9859, 0.36100003, "Meta"} -> 
    {{20528, 20019, 20779}, {"", ""}}, {507.9825, 0.35863888, "Meta"} -> 
    {{21627, 22425, 24586}, {"Inosine triphosphate [ C10 H15 N4 O14 P3, \
db=53.73, overall=26.87, HMP ID=HMDB00189, KEGG ID= ]", ""}}, 
   {656.0118, 0.36025003, "Meta"} -> {{29810, 35742, 26291}, {"", ""}}, 
   {738.0146, 0.3612308, "Meta"} -> {{1, 18846, 22657}, {"", ""}}, 
   {1278.0948, 0.3672727, "Meta"} -> {{13817, 14651, 12890}, {"", ""}}, 
   {436.0787, 0.36760005, "Meta"} -> {{31588, 29018, 31363}, {"", ""}}, 
   {340.0591, 0.3675589, "Meta"} -> {{36503, 1, 34500}, {"", ""}}, 
   {600.0828, 0.36788896, "Meta"} -> {{52518, 52233, 52228}, {"", ""}}, 
   {586.0686, 0.36716667, "Meta"} -> {{23564, 27323, 23393}, {"", ""}}, 
   {504.0638, 0.3671143, "Meta"} -> {{23251, 19687, 21215}, {"", ""}}, 
   {682.0872, 0.36725715, "Meta"} -> {{20649, 20137, 19816}, {"", ""}}, 
   {518.081, 0.36761123, "Meta"} -> {{52244, 49819, 50054}, {"", ""}}, 
   {168.0872, 0.36461288, "Meta"} -> {{84217, 90898, 102602}, {"", ""}}, 
   {354.0757, 0.36960006, "Meta"} -> {{86019, 88734, 92222}, 
     {"N-Desmethylketazolam [ C19 H15 Cl N2 O3, db=61.05, overall=30.52, KEGG \
ID=, CAS ID=26945-40-4 ]", "26945-40-4"}}, {764.0883, 0.36781484, "Meta"} -> 
    {{10054, 1, 1}, {"", ""}}, {1442.1014, 0.36745453, "Meta"} -> 
    {{14508, 16108, 13570}, {"", ""}}, {1110.0033, 0.36859375, "Meta"} -> 
    {{56563, 55331, 1}, {"", ""}}, {185.9878, 0.37075, "Meta"} -> 
    {{3097872, 3191233, 3173061}, {"", ""}}, 
   {103.9855, 0.37086117, "Meta"} -> {{1430936, 1186870, 1328688}, {"", ""}}, 
   {842.5152, 0.37236363, "Meta"} -> {{64917, 57653, 57818}, 
     {"Spiramycin 1 [ C43 H74 N2 O14, db=50.52, overall=25.26, KEGG \
ID=C01754, CAS ID=24916-50-5 ]", "24916-50-5"}}, 
   {1274.0109, 0.37162504, "Meta"} -> {{197366, 175302, 1}, {"", ""}}, 
   {2094.0337, 0.37128574, "Meta"} -> {{83121, 81832, 82901}, {"", ""}}, 
   {2504.0469, 0.37122574, "Meta"} -> {{38815, 1, 37562}, {"", ""}}, 
   {2176.057, 0.37145713, "Meta"} -> {{124551, 120543, 116525}, {"", ""}}, 
   {1848.0302, 0.37174284, "Meta"} -> {{319803, 286017, 307483}, {"", ""}}, 
   {678.5085, 0.37215626, "Meta"} -> {{50232, 49880, 1}, 
     {"GPCho(14:0/14:0[U]) [ C36 H73 N O8 P, db=51.87, overall=25.93, Lipid \
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    {{1062977, 991421, 1}, {"", ""}}, {760.0074, 0.3722353, "Meta"} -> 
    {{687898, 643073, 651037}, {"", ""}}, {349.9932, 0.3725278, "Meta"} -> 
    {{2245156, 2030034, 2097147}, {"", ""}}, 
   {2012.0356, 0.37163636, "Meta"} -> {{261669, 236421, 247222}, {"", ""}}, 
   {760.5129, 0.37200004, "Meta"} -> {{55004, 54607, 1}, {"", ""}}, 
   {1930.0293, 0.37155885, "Meta"} -> {{129405, 111665, 123003}, {"", ""}}, 
   {1766.0236, 0.37175757, "Meta"} -> {{174768, 156998, 1}, {"", ""}}, 
   {1438.0165, 0.37166667, "Meta"} -> {{225174, 205892, 206903}, {"", ""}}, 
   {1602.032, 0.37169698, "Meta"} -> {{223217, 198242, 1}, {"", ""}}, 
   {2258.056, 0.37132356, "Meta"} -> {{55963, 50291, 54126}, {"", ""}}, 
   {2340.0415, 0.3715, "Meta"} -> {{69274, 62919, 73557}, {"", ""}}, 
   {1617.9949, 0.37353334, "Meta"} -> {{55485, 48668, 1}, {"", ""}}, 
   {842.0098, 0.37212902, "Meta"} -> {{507976, 458966, 480511}, {"", ""}}, 
   {596.003, 0.3728823, "Meta"} -> {{1626080, 1547520, 1}, {"", ""}}, 
   {431.9965, 0.37666664, "Meta"} -> {{3047782, 2864611, 2922628}, {"", ""}}, 
   {1781.9979, 0.37309682, "Meta"} -> {{43643, 39554, 1}, {"", ""}}, 
   {514.0034, 0.37308568, "Meta"} -> {{3215440, 2928085, 1}, {"", ""}}, 
   {267.9908, 0.3730278, "Meta"} -> {{6042767, 5596437, 5665379}, {"", ""}}, 
   {2110.02, 0.37291667, "Meta"} -> {{26715, 23554, 1}, {"", ""}}, 
   {1535.9908, 0.37340006, "Meta"} -> {{45449, 44943, 1}, {"", ""}}, 
   {1371.9957, 0.3735173, "Meta"} -> {{44170, 38118, 1}, {"", ""}}, 
   {1864.011, 0.3730323, "Meta"} -> {{42267, 38674, 1}, {"", ""}}, 
   {1699.9985, 0.3731875, "Meta"} -> {{44241, 40385, 1}, {"", ""}}, 
   {1946.0074, 0.37290323, "Meta"} -> {{34343, 31545, 34623}, {"", ""}}, 
   {2028.023, 0.37268, "Meta"} -> {{28722, 1, 30403}, {"", ""}}, 
   {365.97, 0.37485716, "Meta"} -> {{143871, 141584, 1}, {"", ""}}, 
   {1453.9904, 0.3735, "Meta"} -> {{45438, 43420, 1}, {"", ""}}, 
   {1207.9905, 0.37368754, "Meta"} -> {{18424, 22079, 22738}, {"", ""}}, 
   {447.9728, 0.37527272, "Meta"} -> {{232210, 220790, 1}, {"", ""}}, 
   {1289.9849, 0.37362495, "Meta"} -> {{35208, 31365, 1}, {"", ""}}, 
   {529.9721, 0.37509674, "Meta"} -> {{229889, 1, 1}, {"", ""}}, 
   {283.9663, 0.37641668, "Meta"} -> {{295273, 297650, 305895}, {"", ""}}, 
   {693.9824, 0.3773871, "Meta"} -> {{101627, 93586, 1}, {"", ""}}, 
   {775.9853, 0.37764287, "Meta"} -> {{69216, 59259, 1}, {"", ""}}, 
   {611.9799, 0.37734482, "Meta"} -> {{142948, 1, 1}, {"", ""}}, 
   {857.9875, 0.3774839, "Meta"} -> {{51112, 46749, 1}, {"", ""}}, 
   {1413.9979, 0.38107693, "Meta"} -> {{1, 49104, 1}, {"", ""}}, 
   {1331.9816, 0.38222224, "Meta"} -> {{47167, 42743, 1}, {"", ""}}, 
   {1495.995, 0.38175866, "Meta"} -> {{47461, 46164, 1}, {"", ""}}, 
   {1249.9858, 0.38258335, "Meta"} -> {{1, 43002, 1}, {"", ""}}, 
   {1167.9846, 0.38393104, "Meta"} -> {{40643, 36399, 1}, {"", ""}}, 
   {571.9606, 0.3881667, "Meta"} -> {{206473, 190955, 181643}, {"", ""}}, 
   {489.9575, 0.38891178, "Meta"} -> {{286811, 277210, 273686}, {"", ""}}, 
   {407.9539, 0.38981822, "Meta"} -> {{339110, 328070, 326708}, {"", ""}}, 
   {325.9501, 0.3924723, "Meta"} -> {{237234, 231859, 235859}, {"", ""}}, 
   {465.9127, 0.39305556, "Meta"} -> {{200383, 194579, 197515}, {"", ""}}, 
   {259.9214, 0.39474198, "Meta"} -> {{127119, 128598, 134119}, {"", ""}}, 
   {605.8735, 0.39525005, "Meta"} -> {{90725, 100491, 103654}, {"", ""}}, 
   {243.9473, 0.3973611, "Meta"} -> {{1197701, 1212195, 1188152}, {"", ""}}, 
   {383.9092, 0.39772224, "Meta"} -> {{221407, 218479, 214898}, {"", ""}}, 
   {523.872, 0.3975429, "Meta"} -> {{141449, 146427, 138381}, {"", ""}}, 
   {581.8306, 0.40027776, "Meta"} -> {{126939, 126131, 120763}, {"", ""}}, 
   {639.7888, 0.40351427, "Meta"} -> {{107853, 94668, 100532}, {"", ""}}, 
   {441.8685, 0.4018334, "Meta"} -> {{213160, 200152, 196282}, {"", ""}}, 
   {697.7475, 0.40715998, "Meta"} -> {{88280, 1, 88735}, {"", ""}}, 
   {499.8273, 0.40608332, "Meta"} -> {{167705, 163529, 160823}, {"", ""}}, 
   {615.7448, 0.40847063, "Meta"} -> {{128494, 129544, 122345}, {"", ""}}, 
   {301.9058, 0.40786114, "Meta"} -> {{249146, 234686, 227287}, {"", ""}}, 
   {673.7031, 0.41129026, "Meta"} -> {{92094, 82785, 90139}, {"", ""}}, 
   {359.8649, 0.41030556, "Meta"} -> {{182550, 145642, 171848}, {"", ""}}, 
   {417.8229, 0.4105714, "Meta"} -> {{195394, 1, 197439}, {"", ""}}, 
   {755.7073, 0.41121435, "Meta"} -> {{67844, 53505, 63819}, {"", ""}}, 
   {475.7822, 0.41099995, "Meta"} -> {{155432, 38834, 148004}, {"", ""}}, 
   {575.7568, 0.41006452, "Meta"} -> {{18254, 18427, 1}, {"", ""}}, 
   {219.9025, 0.4121111, "Meta"} -> {{445271, 433777, 431137}, {"", ""}}, 
   {651.6545, 0.41184002, "Meta"} -> {{1, 1, 39291}, 
     {"Cer(d18:0/24:0) [ C42 H85 N O3, db=58.22, overall=29.11, Lipid \
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    {{66995, 83252, 65764}, {"", ""}}, {277.8617, 0.41355553, "Meta"} -> 
    {{1, 237020, 238265}, {"", ""}}, {161.944, 0.4130858, "Meta"} -> 
    {{223535, 229597, 218322}, {"", ""}}, {607.0989, 0.41675, "Meta"} -> 
    {{17658, 22837, 17346}, {"", ""}}, {525.0954, 0.41841662, "Meta"} -> 
    {{45230, 49804, 46123}, {"Sertraline Carbamic acid glucuronide [ C24 H25 \
Cl2 N O8, db=66.50, overall=33.25, KEGG ID=, CAS ID=119733-44-7 ]", 
      "119733-44-7"}}, {377.0618, 0.41700003, "Meta"} -> 
    {{21523, 22611, 21675}, {"", ""}}, {295.0595, 0.42075, "Meta"} -> 
    {{164823, 185035, 180831}, {"5-Aminoimidazole ribonucleotide [ C8 H14 N3 \
O7 P, db=61.18, overall=30.59, HMP ID=HMDB01235, KEGG ID= ]", ""}}, 
   {361.0891, 0.4204722, "Meta"} -> {{289733, 351392, 319294}, 
     {"His Cys Cys [ C12 H19 N5 O4 S2, db=74.60, overall=37.30 ]", ""}}, 
   {443.0923, 0.42244443, "Meta"} -> {{66402, 75742, 69139}, {"", ""}}, 
   {536.1894, 0.42578793, "Meta"} -> {{34803, 59068, 45533}, {"", ""}}, 
   {342.008, 0.44034287, "Meta"} -> {{92301, 90124, 86893}, {"", ""}}, 
   {279.085, 0.43405554, "Meta"} -> {{1588537, 1691087, 1572694}, {"", ""}}, 
   {284.0491, 0.4420606, "Meta"} -> {{91935, 86407, 94151}, {"", ""}}, 
   {103.0999, 0.44377777, "Meta"} -> {{204867, 246409, 239367}, {"", ""}}, 
   {481.9704, 0.44212005, "Meta"} -> {{12644, 12296, 19683}, {"", ""}}, 
   {183.0875, 0.44372222, "Meta"} -> {{422665, 385060, 407068}, {"", ""}}, 
   {224.0281, 0.4447647, "Meta"} -> {{261713, 263729, 250518}, 
     {"Cys Cys [ C6 H12 N2 O3 S2, db=64.23, overall=32.11 ]", ""}}, 
   {457.0211, 0.45377782, "Meta"} -> {{11276, 13888, 12163}, {"", ""}}, 
   {135.0411, 0.4499394, "Meta"} -> {{742453, 686525, 704283}, {"", ""}}, 
   {262.078, 0.45158333, "Meta"} -> {{431089, 422085, 422948}, 
     {"Asp Glu [ C9 H14 N2 O7, db=81.80, overall=40.90 ]", ""}}, 
   {202.0446, 0.45386112, "Meta"} -> {{1.15*^7, 1.09*^7, 1.11*^7}, {"", ""}}, 
   {159.0275, 0.45163885, "Meta"} -> {{82208, 81444, 82206}, {"", ""}}, 
   {220.1785, 0.4556666, "Meta"} -> {{71565, 72546, 71600}, {"", ""}}, 
   {404.092, 0.45348275, "Meta"} -> {{91935, 75161, 89477}, {"", ""}}, 
   {315.1044, 0.4536389, "Meta"} -> {{358229, 329565, 341572}, {"", ""}}, 
   {320.036, 0.4549231, "Meta"} -> {{29879, 29553, 27068}, {"", ""}}, 
   {382.1086, 0.45669445, "Meta"} -> {{5660871, 5573584, 5348803}, {"", ""}}, 
   {396.1638, 0.4501666, "Meta"} -> {{1, 12235, 1}, 
     {"Asn Tyr Thr [ C17 H24 N4 O7, db=83.05, overall=41.53 ]", ""}}, 
   {113.059, 0.45647225, "Meta"} -> {{339214, 340457, 233997}, 
     {"Creatinine [ C4 H7 N3 O, db=69.36, overall=34.68, KEGG ID=C00791, CAS \
ID=60-27-5 ]", "60-27-5"}}, {339.0908, 0.4577187, "Meta"} -> 
    {{24804, 24109, 29098}, 
     {"Cys Ser Met [ C11 H21 N3 O5 S2, db=57.09, overall=28.54 ]", ""}}, 
   {337.0433, 0.45780003, "Meta"} -> {{155047, 196041, 175002}, 
     {"Famotidine [ C8 H15 N7 O2 S3, db=57.43, overall=28.71, KEGG ID=C06994, \
CAS ID=76824-35-6 ]", "76824-35-6"}}, {114.0292, 0.45835483, "Meta"} -> 
    {{120859, 107424, 119294}, {"", ""}}, {174.1111, 0.46506065, "Meta"} -> 
    {{84507, 73506, 69622}, {"Arginine [ C6 H14 N4 O2, db=51.57, \
overall=25.79, KEGG ID=C00062, CAS ID=74-79-3 ]", "74-79-3"}}, 
   {131.0692, 0.46048486, "Meta"} -> {{505305, 397020, 493362}, 
     {"Creatine [ C4 H9 N3 O2, db=99.16, overall=49.58, KEGG ID=C00300, CAS \
ID=6020-87-7 ]", "6020-87-7"}}, {317.9624, 0.46102777, "Meta"} -> 
    {{304963, 273058, 279242}, {"", ""}}, {260.0039, 0.4610556, "Meta"} -> 
    {{842090, 796195, 799099}, {"", ""}}, {139.0609, 0.45847225, "Meta"} -> 
    {{1227167, 1219871, 1233344}, {"", ""}}, 
   {375.9207, 0.46166673, "Meta"} -> {{205459, 199343, 202147}, {"", ""}}, 
   {498.0259, 0.46341926, "Meta"} -> {{93095, 88541, 79538}, {"", ""}}, 
   {161.1053, 0.46408334, "Meta"} -> {{1458450, 1374431, 1446323}, {"", ""}}, 
   {366.1134, 0.4641667, "Meta"} -> {{67811, 62444, 61110}, {"", ""}}, 
   {440.0675, 0.46469444, "Meta"} -> {{347613, 321071, 330714}, {"", ""}}, 
   {175.0959, 0.4649032, "Meta"} -> {{38173, 1, 31755}, 
     {"Citrulline [ C6 H13 N3 O3, db=47.39, overall=23.69, KEGG ID=C00327, \
CAS ID=372-75-8 ]", "372-75-8"}}, {115.0636, 0.4639722, "Meta"} -> 
    {{1150393, 1155355, 1196306}, {"Proline [ C5 H9 N O2, db=87.30, \
overall=43.65, KEGG ID=C00148, CAS ID=147-85-3 ]", "147-85-3"}}, 
   {256.1436, 0.4642592, "Meta"} -> {{199494, 173399, 184742}, {"", ""}}, 
   {399.0646, 0.4658, "Meta"} -> {{41217, 40421, 41294}, {"", ""}}, 
   {192.1473, 0.46303123, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {341.1066, 0.46715382, "Meta"} -> {{42429, 43537, 39721}, 
     {"Tyr Cys Gly [ C14 H19 N3 O5 S, db=77.47, overall=38.73 ]", ""}}, 
   {248.1483, 0.46862853, "Meta"} -> {{59616, 39924, 54613}, {"", ""}}, 
   {159.1256, 0.47108328, "Meta"} -> {{242190, 208282, 208769}, 
     {"DL-2-Aminooctanoic acid [ C8 H17 N O2, db=86.92, overall=43.46, HMP \
ID=HMDB00991, KEGG ID= ]", ""}}, {60.0325, 0.47265622, "Meta"} -> 
    {{462584, 399524, 504047}, {"Urea [ C H4 N2 O, db=87.80, overall=43.90, \
KEGG ID=C00086, CAS ID=57-13-6 ]", "57-13-6"}}, 
   {297.1425, 0.47046667, "Meta"} -> {{384681, 353625, 369464}, 
     {"Ala His Ala [ C12 H19 N5 O4, db=91.10, overall=45.55 ]", ""}}, 
   {117.0784, 0.47286117, "Meta"} -> {{5954069, 5541892, 5782689}, 
     {"5-Aminopentanoic acid [ C5 H11 N O2, db=96.95, overall=48.48, HMP \
ID=HMDB03355, KEGG ID= ]", ""}}, {222.0852, 0.47502783, "Meta"} -> 
    {{117183, 116723, 116517}, {"", ""}}, {302.184, 0.47386664, "Meta"} -> 
    {{21515, 1, 1}, {"", ""}}, {240.0955, 0.47499996, "Meta"} -> 
    {{107698, 102560, 101382}, {"", ""}}, {143.0945, 0.4738333, "Meta"} -> 
    {{4246187, 3729677, 4210461}, {"Triparanol [ C7 H13 N O2, db=69.83, \
overall=34.92, HMP ID=HMDB01378, KEGG ID= ]", ""}}, 
   {228.1473, 0.47896966, "Meta"} -> {{214093, 1, 223984}, 
     {"Leu Pro [ C11 H20 N2 O3, db=61.48, overall=30.74 ]", ""}}, 
   {257.1031, 0.48044443, "Meta"} -> {{699363, 908789, 854836}, 
     {"5-Methylcytidine [ C10 H15 N3 O5, db=85.28, overall=42.64, HMP \
ID=HMDB00982, KEGG ID=, CAS ID=2140-61-6 ]", "2140-61-6"}}, 
   {71.074, 0.48255876, "Meta"} -> {{996832, 918143, 970637}, {"", ""}}, 
   {157.1101, 0.4915172, "Meta"} -> {{1, 1, 23175}, 
     {"Tranexamic acid [ C8 H15 N O2, db=82.75, overall=41.37, KEGG \
ID=C12535, CAS ID=1197-18-8 ]", "1197-18-8"}}, 
   {144.042, 0.48648572, "Meta"} -> {{202844, 189242, 173787}, 
     {"(E)-2-Methylglutaconic acid [ C6 H8 O4, db=81.83, overall=40.91, HMP \
ID=HMDB02266, KEGG ID= ]", ""}}, {240.1471, 0.48564285, "Meta"} -> 
    {{28209, 1, 1}, {"", ""}}, {162.0524, 0.48472, "Meta"} -> 
    {{335263, 300308, 280240}, {"2-Hydroxyadipic acid [ C6 H10 O5, db=74.88, \
overall=37.44, HMP ID=HMDB00321, KEGG ID= ]", ""}}, 
   {307.0891, 0.4947, "Meta"} -> {{1, 17086, 1}, {"Succinyllipoic acid [ C12 \
H21 N O4 S2, db=34.62, overall=17.31, HMP ID=HMDB01012, KEGG ID= ]", ""}}, 
   {247.9688, 0.49561107, "Meta"} -> {{137757, 166553, 100362}, {"", ""}}, 
   {198.0384, 0.50133336, "Meta"} -> {{154540, 104039, 132267}, {"", ""}}, 
   {168.0283, 0.50608325, "Meta"} -> {{1356006, 1744519, 1879718}, 
     {"Uric acid [ C5 H4 N4 O3, db=97.37, overall=48.69, KEGG ID=C00366, CAS \
ID=69-93-2 ]", "69-93-2"}}, {191.0248, 0.5051143, "Meta"} -> 
    {{94685, 35579, 62429}, {"", ""}}, {348.0916, 0.5082572, "Meta"} -> 
    {{167100, 155018, 164449}, {"", ""}}, {280.0422, 0.50655884, "Meta"} -> 
    {{40273, 33742, 39415}, {"", ""}}, {133.9952, 0.5028, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {129.0423, 0.50794446, "Meta"} -> 
    {{452054, 295957, 446349}, {"Pyroglutamic acid [ C5 H7 N O3, db=86.82, \
overall=43.41, KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {309.1056, 0.5132, "Meta"} -> {{52143, 37172, 49954}, 
     {"N-Acetyl-a-neuraminic acid [ C11 H19 N O9, db=51.18, overall=25.59, \
HMP ID=HMDB00773, KEGG ID= ]", ""}}, {548.0497, 0.5119356, "Meta"} -> 
    {{1, 28297, 30686}, {"", ""}}, {112.0135, 0.51612, "Meta"} -> 
    {{1012073, 1, 1040766}, {"", ""}}, {396.0151, 0.5267038, "Meta"} -> 
    {{37695, 43586, 1}, {"", ""}}, {393.0659, 0.53931427, "Meta"} -> 
    {{1, 56759, 93296}, {"5-Hydroxythiabendazole glucuronide [ C16 H15 N3 O7 \
S, db=55.85, overall=27.93, KEGG ID=, CAS ID=6801-82-7 ]", "6801-82-7"}}, 
   {185.1047, 0.54106057, "Meta"} -> {{135578, 65966, 136606}, 
     {"Ecgonine [ C9 H15 N O3, db=82.32, overall=41.16, KEGG ID=, CAS \
ID=481-37-8 ]", "481-37-8"}}, {159.068, 0.54042304, "Meta"} -> 
    {{30806, 50068, 1}, {"Indoleacetaldehyde [ C10 H9 N O, db=55.69, \
overall=27.85, HMP ID=HMDB01190, KEGG ID= ]", ""}}, 
   {132.0244, 0.54202855, "Meta"} -> {{87978, 81777, 92670}, {"", ""}}, 
   {149.0507, 0.54125, "Meta"} -> {{836294, 849523, 831062}, 
     {"Methionine [ C5 H11 N O2 S, db=99.04, overall=49.52, KEGG ID=C00073, \
CAS ID=63-68-3 ]", "63-68-3"}}, {279.1315, 0.54772216, "Meta"} -> 
    {{239989, 128012, 273867}, {"", ""}}, {164.047, 0.5517223, "Meta"} -> 
    {{224661, 222985, 241919}, {"p-Coumaric acid [ C9 H8 O3, db=86.35, \
overall=43.17, KEGG ID=, CAS ID=7400-08-0 ]", "7400-08-0"}}, 
   {181.0737, 0.5518889, "Meta"} -> {{2712684, 2546282, 2791352}, 
     {"Tyrosine [ C9 H11 N O3, db=99.43, overall=49.71, KEGG ID=C00082, CAS \
ID=60-18-4 ]", "60-18-4"}}, {122.0354, 0.55100006, "Meta"} -> 
    {{207889, 241976, 194676}, {"", ""}}, {321.1047, 0.5580909, "Meta"} -> 
    {{74443, 66776, 21808}, {"", ""}}, {311.1578, 0.55884373, "Meta"} -> 
    {{129877, 118293, 116937}, 
     {"Gly Val His [ C13 H21 N5 O4, db=80.96, overall=40.48 ]", ""}}, 
   {131.0946, 0.5592222, "Meta"} -> {{2.51*^7, 2.57*^7, 2.37*^7}, 
     {"Leucine [ C6 H13 N O2, db=99.82, overall=49.91, KEGG ID=C00123, CAS \
ID=61-90-5 ]", "61-90-5"}}, {85.0889, 0.5585, "Meta"} -> 
    {{3232920, 2980868, 3113776}, {"", ""}}, 
   {175.0582, 0.55870366, "Meta"} -> {{1, 1, 1}, {"Guanidinosuccinic Acid [ \
C5 H9 N3 O4, db=74.59, overall=37.29, KEGG ID=C03139, CAS ID=6133-30-8 ]", 
      "6133-30-8"}}, {230.0767, 0.58708334, "Meta"} -> 
    {{80932, 86873, 87297}, {"", ""}}, {124.0136, 0.573853, "Meta"} -> 
    {{162594, 198245, 116071}, {"", ""}}, {262.1892, 0.5915186, "Meta"} -> 
    {{113244, 118296, 121917}, {"", ""}}, {315.1291, 0.6577931, "Meta"} -> 
    {{43060, 1, 49918}, {"", ""}}, {181.0738, 0.63259375, "Meta"} -> 
    {{1389029, 1271061, 1438541}, {"Tyrosine [ C9 H11 N O3, db=99.69, \
overall=49.85, KEGG ID=C00082, CAS ID=60-18-4 ]", "60-18-4"}}, 
   {321.1046, 0.64432, "Meta"} -> {{50814, 59288, 31324}, {"", ""}}, 
   {262.1526, 0.64625, "Meta"} -> {{31653, 1, 21477}, {"", ""}}, 
   {85.0891, 0.65061104, "Meta"} -> {{3182364, 3066615, 3315127}, {"", ""}}, 
   {131.0943, 0.65075004, "Meta"} -> {{2.73*^7, 2.43*^7, 2.68*^7}, 
     {"Leucine [ C6 H13 N O2, db=98.20, overall=49.10, KEGG ID=C00123, CAS \
ID=61-90-5 ]", "61-90-5"}}, {184.0232, 0.6469033, "Meta"} -> 
    {{486139, 536437, 492825}, {"", ""}}, {396.0152, 0.65655553, "Meta"} -> 
    {{45105, 63834, 56776}, {"", ""}}, {198.0385, 0.6591563, "Meta"} -> 
    {{87144, 81506, 117964}, {"", ""}}, {366.1426, 0.73793095, "Meta"} -> 
    {{26021, 67004, 29192}, {"", ""}}, {564.0432, 0.6553846, "Meta"} -> 
    {{19109, 19859, 22401}, {"", ""}}, {168.0284, 0.66358334, "Meta"} -> 
    {{3960371, 3133122, 2943051}, {"Uric acid [ C5 H4 N4 O3, db=99.35, \
overall=49.68, KEGG ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, 
   {352.0513, 0.6635001, "Meta"} -> {{101000, 104417, 130533}, {"", ""}}, 
   {191.0249, 0.6656572, "Meta"} -> {{384297, 118284, 207575}, {"", ""}}, 
   {176.0948, 0.66323525, "Meta"} -> {{63990, 63931, 62641}, 
     {"Serotonin [ C10 H12 N2 O, db=81.86, overall=40.93, KEGG ID=C00780, CAS \
ID=50-67-9 ]", "50-67-9"}}, {343.1261, 0.6673332, "Meta"} -> 
    {{56116, 25873, 54039}, {"b-D-Glucopyranosiduronic acid [ C15 H21 N O8, \
db=84.47, overall=42.23, KEGG ID=, CAS ID=33150-82-2 ]", "33150-82-2"}}, 
   {159.0679, 0.6692903, "Meta"} -> {{56786, 49870, 1}, 
     {"Indoleacetaldehyde [ C10 H9 N O, db=58.61, overall=29.30, HMP \
ID=HMDB01190, KEGG ID= ]", ""}}, {542.0351, 0.6685769, "Meta"} -> 
    {{22486, 1, 1}, {"cefonicid [ C18 H18 N6 O8 S3, db=52.28, overall=26.14, \
KEGG ID=, CAS ID= ]", ""}}, {267.1331, 0.6696945, "Meta"} -> 
    {{79958, 70211, 72535}, {"", ""}}, {346.076, 0.6595, "Meta"} -> 
    {{50077, 48737, 55003}, {"", ""}}, {366.0667, 0.6683939, "Meta"} -> 
    {{1, 46044, 23888}, {"", ""}}, {348.0913, 0.6686563, "Meta"} -> 
    {{107733, 106517, 102091}, {"", ""}}, {478.0537, 0.6733429, "Meta"} -> 
    {{28432, 13719, 18590}, {"", ""}}, {129.0423, 0.67652774, "Meta"} -> 
    {{483071, 421126, 452101}, {"Pyroglutamic acid [ C5 H7 N O3, db=60.99, \
overall=30.50, KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {297.0706, 0.67399997, "Meta"} -> {{1, 19527, 18518}, {"", ""}}, 
   {414.0701, 0.68071425, "Meta"} -> {{18287, 22561, 22208}, {"", ""}}, 
   {104.0473, 0.7109601, "Meta"} -> {{23220, 1, 1}, 
     {"a-hydroxybutyrate [ C4 H8 O3, db=87.83, overall=43.92, KEGG ID=, CAS \
ID= ]", ""}}, {293.1474, 0.70211107, "Meta"} -> {{1319661, 736620, 1598421}, 
     {"", ""}}, {124.0136, 0.698871, "Meta"} -> {{193052, 202185, 120659}, 
     {"", ""}}, {244.0693, 0.69808567, "Meta"} -> {{79523, 40794, 89781}, 
     {"Uridine [ C9 H12 N2 O6, db=80.06, overall=40.03, KEGG ID=C00299, CAS \
ID=58-96-8 ]", "58-96-8"}}, {228.1472, 0.70621204, "Meta"} -> 
    {{301505, 1, 288271}, 
     {"Leu Pro [ C11 H20 N2 O3, db=86.33, overall=43.17 ]", ""}}, 
   {246.1213, 0.72223526, "Meta"} -> {{73165, 62884, 68442}, 
     {"Ile Asp [ C10 H18 N2 O5, db=79.46, overall=39.73 ]", ""}}, 
   {126.0292, 0.7198077, "Meta"} -> {{1693792, 1665186, 1686556}, {"", ""}}, 
   {347.9839, 0.72131026, "Meta"} -> {{62696, 25450, 1}, {"", ""}}, 
   {252.1109, 0.7333571, "Meta"} -> {{189516, 1, 261107}, 
     {"Tyr Ala [ C12 H16 N2 O4, db=96.68, overall=48.34 ]", ""}}, 
   {338.0838, 0.75042427, "Meta"} -> {{175779, 161700, 167485}, {"", ""}}, 
   {148.0112, 0.75524235, "Meta"} -> {{1, 187187, 170563}, {"", ""}}, 
   {136.0384, 0.7559166, "Meta"} -> {{3150325, 1975093, 2972723}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=95.18, overall=47.59, KEGG ID=C00262, \
CAS ID=68-94-0 ]", "68-94-0"}}, {277.0016, 0.76956004, "Meta"} -> 
    {{136730, 160602, 142781}, {"", ""}}, {161.0507, 0.7749999, "Meta"} -> 
    {{524580, 616551, 970042}, {"", ""}}, {301.1176, 0.832861, "Meta"} -> 
    {{47964, 44835, 43517}, {"", ""}}, {263.0468, 0.8569698, "Meta"} -> 
    {{39261, 35748, 52709}, {"Normetanephrine sulfate [ C9 H13 N O6 S, \
db=62.13, overall=31.07, KEGG ID=, CAS ID=1215-29-8 ]", "1215-29-8"}}, 
   {427.2543, 0.88016677, "Meta"} -> {{81309, 113031, 88971}, {"", ""}}, 
   {533.1839, 0.8766785, "Meta"} -> {{43948, 29069, 39119}, {"", ""}}, 
   {208.0844, 0.8729697, "Meta"} -> {{946155, 899736, 900817}, 
     {"Kynurenine [ C10 H12 N2 O3, db=98.79, overall=49.40, KEGG ID=C00328, \
CAS ID=343-65-7 ]", "343-65-7"}}, {310.1159, 0.87493944, "Meta"} -> 
    {{45789, 29984, 1}, 
     {"Tyr Glu [ C14 H18 N2 O6, db=80.16, overall=40.08 ]", ""}}, 
   {130.0417, 0.889875, "Meta"} -> {{328692, 345864, 346028}, {"", ""}}, 
   {119.0736, 0.8910293, "Meta"} -> {{1, 7452925, 7653870}, {"", ""}}, 
   {165.0784, 0.88927776, "Meta"} -> {{4.26*^7, 4.25*^7, 4.18*^7}, 
     {"2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, db=96.07, \
overall=48.03, KEGG ID=, CAS ID=18259-42-2 ]", "18259-42-2"}}, 
   {102.047, 0.8869601, "Meta"} -> {{70246, 1, 72804}, {"", ""}}, 
   {268.0808, 0.88524127, "Meta"} -> {{100813, 154794, 199714}, 
     {"Inosine [ C10 H12 N4 O5, db=85.71, overall=42.86, KEGG ID=C00294, CAS \
ID=58-63-9 ]", "58-63-9"}}, {518.1942, 0.9226364, "Meta"} -> 
    {{30824, 20902, 23692}, {"Gossypol [ C30 H30 O8, db=74.85, overall=37.42, \
Lipid ID=LMPR01030019, KEGG ID=C07667 ]", ""}}, 
   {359.1316, 0.92291445, "Meta"} -> {{1, 39478, 37855}, 
     {"Asp Glu Pro [ C14 H21 N3 O8, db=49.24, overall=24.62 ]", ""}}, 
   {358.1738, 0.921639, "Meta"} -> {{69102, 49447, 64375}, {"", ""}}, 
   {315.1679, 0.92541665, "Meta"} -> {{4297518, 3076894, 3920601}, {"", ""}}, 
   {246.1213, 0.9403793, "Meta"} -> {{47644, 1, 57484}, 
     {"Ile Asp [ C10 H18 N2 O5, db=75.39, overall=37.69 ]", ""}}, 
   {348.1567, 0.99688005, "Meta"} -> {{1, 1, 205018}, 
     {"Ala Arg Cys [ C12 H24 N6 O4 S, db=90.69, overall=45.35 ]", ""}}, 
   {150.0887, 1.0149167, "Meta"} -> {{9570315, 2.7*^7, 3.49*^7}, {"", ""}}, 
   {380.1186, 1.0151613, "Meta"} -> {{1, 107628, 159599}, 
     {"Cys Gln Met [ C13 H24 N4 O5 S2, db=70.63, overall=35.32 ]", ""}}, 
   {88.0527, 1.0138214, "Meta"} -> {{1, 738275, 1}, 
     {"Acetoin [ C4 H8 O2, db=98.92, overall=49.46, KEGG ID=C00810, CAS \
ID=513-86-0 ]", "513-86-0"}}, {132.0785, 1.0133704, "Meta"} -> 
    {{377339, 275057, 1}, {"2-Hydroxy-4-methylvaleric acid [ C6 H12 O3, \
db=96.66, overall=48.33, KEGG ID=, CAS ID=13748-90-8 ]", "13748-90-8"}}, 
   {248.0572, 1.018941, "Meta"} -> {{1005484, 894188, 1067976}, 
     {"Pyridoxamine Phosphate [ C8 H13 N2 O5 P, db=92.97, overall=46.48, KEGG \
ID=C00647, CAS ID=529-96-4 ]", "529-96-4"}}, {264.0292, 1.0199355, "Meta"} -> 
    {{325985, 215235, 291008}, {"(3-Methoxy-4-hydroxyphenyl)ethylene glycol \
sulfate [ C9 H12 O7 S, db=58.12, overall=29.06, KEGG ID=, CAS ID=3415-67-6 ]"\
, "3415-67-6"}}, {239.9853, 1.04124, "Meta"} -> {{34389, 40414, 30692}, 
     {"", ""}}, {210.1212, 1.0249231, "Meta"} -> {{313235, 239334, 1}, 
     {"", ""}}, {338.1254, 1.0379394, "Meta"} -> {{621127, 400271, 630074}, 
     {"", ""}}, {353.0898, 1.0451715, "Meta"} -> {{213851, 168225, 308624}, 
     {"Acenocoumarol [ C19 H15 N O6, db=85.70, overall=42.85, KEGG ID=, CAS \
ID=152-72-7 ]", "152-72-7"}}, {327.1318, 1.0948066, "Meta"} -> 
    {{350071, 204844, 363692}, {"", ""}}, {231.1472, 1.1548711, "Meta"} -> 
    {{133941, 106467, 208098}, {"Isobutyryl carnitine [ C11 H21 N O4, \
db=82.39, overall=41.19, KEGG ID=, CAS ID=25518-49-4 ]", "25518-49-4"}}, 
   {354.1791, 1.2549354, "Meta"} -> {{498288, 1, 474217}, {"", ""}}, 
   {291.0178, 1.2728126, "Meta"} -> {{40887, 47198, 41890}, {"", ""}}, 
   {276.0544, 1.2674193, "Meta"} -> {{50004, 54221, 42279}, {"", ""}}, 
   {216.0308, 1.2762144, "Meta"} -> {{1, 83616, 1}, {"", ""}}, 
   {117.0578, 1.2811853, "Meta"} -> {{194970, 237624, 222201}, 
     {"Indole [ C8 H7 N, db=70.72, overall=35.36, KEGG ID=C00463, CAS \
ID=120-72-9 ]", "120-72-9"}}, {204.0894, 1.2753054, "Meta"} -> 
    {{5.79*^7, 5.59*^7, 5.63*^7}, {"Tryptophan [ C11 H12 N2 O2, db=95.92, \
overall=47.96, KEGG ID=C00078, CAS ID=73-22-3 ]", "73-22-3"}}, 
   {187.0628, 1.2740554, "Meta"} -> {{1.41*^7, 1.37*^7, 1.4*^7}, 
     {"Indoleacrylic acid [ C11 H9 N O2, db=97.72, overall=48.86, HMP \
ID=HMDB00734, KEGG ID=, CAS ID=1204-06-4 ]", "1204-06-4"}}, 
   {650.2158, 1.2843436, "Meta"} -> {{66532, 34275, 50293}, {"", ""}}, 
   {302.0588, 1.2867241, "Meta"} -> {{127655, 77175, 116577}, {"", ""}}, 
   {276.0543, 1.4092578, "Meta"} -> {{63960, 55062, 60289}, {"", ""}}, 
   {291.0175, 1.4124061, "Meta"} -> {{69708, 56261, 64832}, {"", ""}}, 
   {230.1631, 1.4211999, "Meta"} -> {{93993, 88476, 104069}, 
     {"Leu Val [ C11 H22 N2 O3, db=83.67, overall=41.83 ]", ""}}, 
   {280.1058, 1.5567034, "Meta"} -> {{54948, 36501, 63419}, 
     {"Phe Asp [ C13 H16 N2 O5, db=70.05, overall=35.02 ]", ""}}, 
   {366.1426, 1.5676208, "Meta"} -> {{378517, 115178, 440235}, {"", ""}}, 
   {157.11, 1.5776898, "Meta"} -> {{57047, 1, 56617}, 
     {"Tranexamic acid [ C8 H15 N O2, db=74.57, overall=37.29, KEGG \
ID=C12535, CAS ID=1197-18-8 ]", "1197-18-8"}}, 
   {219.1104, 1.6220001, "Meta"} -> {{44266, 1, 38460}, 
     {"Pantothenic Acid [ C9 H17 N O5, db=55.18, overall=27.59, KEGG ID=, CAS \
ID=137-08-6 ]", "137-08-6"}}, {260.1369, 1.7801199, "Meta"} -> 
    {{1, 182198, 1}, {"Glu Leu [ C11 H20 N2 O5, db=77.86, overall=38.93 ]", 
      ""}}, {208.0161, 1.9748787, "Meta"} -> {{196868, 406112, 1216308}, 
     {"", ""}}, {260.1368, 1.9889677, "Meta"} -> {{157587, 149487, 127283}, 
     {"Glu Leu [ C11 H20 N2 O5, db=90.71, overall=45.35 ]", ""}}, 
   {131.0368, 2.0663033, "Meta"} -> {{1, 356422, 120246}, {"", ""}}, 
   {613.3187, 2.414278, "Meta"} -> {{220186, 287044, 204244}, {"", ""}}, 
   {294.1216, 2.470125, "Meta"} -> {{34654, 1, 46740}, 
     {"Aspartame [ C14 H18 N2 O5, db=72.39, overall=36.19, HMP ID=HMDB01894, \
KEGG ID= ]", ""}}, {245.1627, 2.565185, "Meta"} -> 
    {{428122, 351266, 389704}, {"2-Methylbutyroylcarnitine [ C12 H23 N O4, \
db=86.34, overall=43.17, HMP ID=HMDB00378, KEGG ID= ]", ""}}, 
   {246.1366, 2.6443236, "Meta"} -> {{422333, 396988, 424837}, {"", ""}}, 
   {159.1255, 2.8531144, "Meta"} -> {{154178, 130338, 151223}, 
     {"DL-2-Aminooctanoic acid [ C8 H17 N O2, db=83.22, overall=41.61, HMP \
ID=HMDB00991, KEGG ID= ]", ""}}, {294.2798, 2.8666072, "Meta"} -> 
    {{119998, 254414, 1}, {"", ""}}, {129.1512, 2.8755276, "Meta"} -> 
    {{9564193, 1.52*^7, 2918677}, {"", ""}}, {179.0578, 2.9460568, "Meta"} -> 
    {{2579843, 2223446, 2574337}, {"5,8-Dihydroxy-3,4-dihydrocarbostyril [ C9 \
H9 N O3, db=94.87, overall=47.43, KEGG ID=, CAS ID=59430-56-7 ]", 
      "59430-56-7"}}, {457.2172, 3.21976, "Meta"} -> 
    {{48441, 53751, 43815}, 
     {"Leu Tyr Tyr [ C24 H31 N3 O6, db=60.12, overall=30.06 ]", ""}}, 
   {113.0839, 3.4427686, "Meta"} -> {{156701, 94744, 200610}, {"", ""}}, 
   {457.2171, 3.449129, "Meta"} -> {{57898, 68751, 67886}, 
     {"Leu Tyr Tyr [ C24 H31 N3 O6, db=66.31, overall=33.16 ]", ""}}, 
   {353.0194, 3.4831946, "Meta"} -> {{100946, 84543, 76755}, 
     {"H 152/66 [ C16 H13 Cl2 N O4, db=34.19, overall=17.09, KEGG ID=, CAS \
ID=91854-02-3 ]", "91854-02-3"}}, {180.0646, 3.4828331, "Meta"} -> 
    {{1656071, 1860053, 1948254}, {"Paraxanthine [ C7 H8 N4 O2, db=97.04, \
overall=48.52, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {338.0584, 3.4828844, "Meta"} -> {{61597, 1, 56338}, {"", ""}}, 
   {184.1207, 3.5528529, "Meta"} -> {{299720, 285302, 303145}, {"", ""}}, 
   {286.0929, 3.6669033, "Meta"} -> {{247733, 255834, 293920}, 
     {"5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin [ C15 H14 \
N2 O4, db=80.32, overall=40.16, KEGG ID=, CAS ID=28129-90-0 ]", 
      "28129-90-0"}}, {262.1315, 3.6955454, "Meta"} -> 
    {{74769, 74617, 76920}, 
     {"Pro Phe [ C14 H18 N2 O3, db=79.05, overall=39.52 ]", ""}}, 
   {484.3516, 3.714577, "Meta"} -> {{25878, 1, 1}, {"(22S)-1alpha,25-dihydrox\
y-22-ethoxy-26,27-dimethyl-23,24-tetradehydro-20-epivitamin D3 / (22S)-1alph \
[ C31 H48 O4, db=68.14, overall=34.07, Lipid ID=LMST03020487, KEGG ID= ]", 
      ""}}, {264.1109, 3.7114289, "Meta"} -> {{768106, 1, 819129}, {"", ""}}, 
   {300.9474, 3.7771254, "Meta"} -> {{41017, 38574, 20631}, {"", ""}}, 
   {285.9843, 3.784971, "Meta"} -> {{111043, 107665, 98437}, {"", ""}}, 
   {406.0258, 3.779679, "Meta"} -> {{53418, 51604, 57615}, {"", ""}}, 
   {346.0054, 3.7820883, "Meta"} -> {{229620, 186170, 187023}, {"", ""}}, 
   {390.0608, 3.9207745, "Meta"} -> {{25872, 59962, 38416}, {"", ""}}, 
   {194.1056, 3.9298828, "Meta"} -> {{95463, 79091, 103354}, 
     {"3-Hydroxy-N-glycyl-2,6-xylidine (3-Hydroxyglycinexylidide) [ C10 H14 \
N2 O2, db=79.20, overall=39.60, KEGG ID=, CAS ID=112606-87-8 ]", 
      "112606-87-8"}}, {123.0431, 3.9404666, "Meta"} -> 
    {{94138, 84017, 89296}, {"Pyrazinamide [ C5 H5 N3 O, db=73.22, \
overall=36.61, KEGG ID=C01956, CAS ID=98-96-4 ]", "98-96-4"}}, 
   {180.0647, 3.9408891, "Meta"} -> {{3794350, 3857530, 4146130}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=98.66, overall=49.33, KEGG ID=, CAS \
ID=611-59-6 ]", "611-59-6"}}, {353.02, 3.9439723, "Meta"} -> 
    {{63273, 58930, 53971}, {"H 152/66 [ C16 H13 Cl2 N O4, db=40.19, \
overall=20.09, KEGG ID=, CAS ID=91854-02-3 ]", "91854-02-3"}}, 
   {338.06, 3.9440384, "Meta"} -> {{30938, 29550, 35221}, 
     {"1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide (AICAR) [ C9 H15 \
N4 O8 P, db=56.82, overall=28.41, KEGG ID=C04677, CAS ID=3031-94-5 ]", 
      "3031-94-5"}}, {282.0003, 4.0873055, "Meta"} -> 
    {{224838, 229672, 215883}, {"", ""}}, {244.1785, 4.1058927, "Meta"} -> 
    {{42241, 1, 1}, {"Leu Leu [ C12 H24 N2 O3, db=80.30, overall=40.15 ]", 
      ""}}, {315.2042, 4.138722, "Meta"} -> {{166357, 262996, 252535}, 
     {"", ""}}, {180.0646, 4.184583, "Meta"} -> {{795542, 839275, 726909}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=96.10, overall=48.05, KEGG ID=, CAS \
ID=611-59-6 ]", "611-59-6"}}, {196.1205, 4.4604373, "Meta"} -> 
    {{44833, 31592, 1}, {"", ""}}, {259.1781, 4.5265555, "Meta"} -> 
    {{47295, 31785, 39197}, {"L-Glutamic acid dibutyl ester [ C13 H25 N O4, \
db=69.80, overall=34.90, KEGG ID=, CAS ID=4261-76-1 ]", "4261-76-1"}}, 
   {278.1625, 4.5463552, "Meta"} -> {{30954, 29280, 1}, 
     {"Phe Leu [ C15 H22 N2 O3, db=77.05, overall=38.53 ]", ""}}, 
   {196.1206, 4.620389, "Meta"} -> {{94743, 65621, 93014}, {"", ""}}, 
   {145.0523, 4.6313715, "Meta"} -> {{111203, 126279, 129380}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=73.77, overall=36.88, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {221.0685, 4.632059, "Meta"} -> 
    {{41511, 1, 43182}, {"5-Carboxymethoxy-3,4-dihydrocarbostyril [ C11 H11 N \
O4, db=64.45, overall=32.22, KEGG ID=, CAS ID=58898-50-3 ]", "58898-50-3"}}, 
   {399.1795, 4.9157567, "Meta"} -> {{62722, 62167, 63491}, 
     {"Tyr Ala Phe [ C21 H25 N3 O5, db=71.49, overall=35.75 ]", ""}}, 
   {185.1049, 4.9669666, "Meta"} -> {{58631, 78748, 91940}, 
     {"Ecgonine [ C9 H15 N O3, db=77.31, overall=38.66, KEGG ID=, CAS \
ID=481-37-8 ]", "481-37-8"}}, {649.3074, 5.013072, "Meta"} -> 
    {{24995, 25799, 26174}, {"", ""}}, {278.163, 5.0759177, "Meta"} -> 
    {{155832, 158434, 157661}, 
     {"Phe Leu [ C15 H22 N2 O3, db=99.27, overall=49.64 ]", ""}}, 
   {535.2641, 5.1008615, "Meta"} -> {{59610, 58231, 53881}, {"", ""}}, 
   {904.4772, 5.3270283, "Meta"} -> {{1055449, 1040977, 1050560}, {"", ""}}, 
   {145.0523, 5.4314723, "Meta"} -> {{125016, 163646, 169351}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=84.42, overall=42.21, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {129.0576, 5.434444, "Meta"} -> 
    {{291153, 326527, 373576}, {"", ""}}, {273.0317, 5.4347143, "Meta"} -> 
    {{35847, 26216, 1}, {"", ""}}, {175.0629, 5.4345837, "Meta"} -> 
    {{382555, 249115, 259685}, {"3-Indoleacetic Acid [ C10 H9 N O2, db=84.76, \
overall=42.38, KEGG ID=C00954, CAS ID=87-51-4 ]", "87-51-4"}}, 
   {163.063, 5.4345, "Meta"} -> {{25075, 30137, 1}, 
     {"p-Acetaminobenzaldehyde [ C9 H9 N O2, db=64.35, overall=32.17, KEGG \
ID=, CAS ID=122-85-0 ]", "122-85-0"}}, {317.1736, 5.4687505, "Meta"} -> 
    {{1, 34774, 33827}, 
     {"Leu Trp [ C17 H23 N3 O3, db=81.63, overall=40.81 ]", ""}}, 
   {780.393, 5.47776, "Meta"} -> {{49347, 48403, 47703}, 
     {"25-O-Desacetylrifampin [ C41 H56 N4 O11, db=84.35, overall=42.18, KEGG \
ID=, CAS ID=16783-99-6 ]", "16783-99-6"}}, {506.2009, 5.4841557, "Meta"} -> 
    {{65681, 68615, 54134}, {"", ""}}, {351.1581, 5.5261106, "Meta"} -> 
    {{339527, 317776, 297862}, 
     {"Trp Phe [ C20 H21 N3 O3, db=99.58, overall=49.79 ]", ""}}, 
   {462.2364, 5.543243, "Meta"} -> {{44033, 32037, 34600}, {"", ""}}, 
   {119.0735, 5.541345, "Meta"} -> {{215187, 212582, 232626}, {"", ""}}, 
   {312.1467, 5.5432773, "Meta"} -> {{9194661, 9274415, 9323965}, 
     {"Phe Phe [ C18 H20 N2 O3, db=95.14, overall=47.57 ]", ""}}, 
   {112.0524, 5.5669603, "Meta"} -> {{1, 44113, 36373}, 
     {"3,5-hexadienoic acid [ C6 H8 O2, db=60.24, overall=30.12, Lipid ID=, \
KEGG ID= ]", ""}}, {415.2207, 5.670666, "Meta"} -> 
    {{1, 18511, 19822}, 
     {"Phe Leu His [ C21 H29 N5 O4, db=66.52, overall=33.26 ]", ""}}, 
   {145.0523, 5.7114286, "Meta"} -> {{38684, 30079, 1}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=58.30, overall=29.15, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {470.2164, 5.740111, "Meta"} -> 
    {{245243, 239008, 250834}, {"", ""}}, {486.1287, 5.7655144, "Meta"} -> 
    {{69851, 64391, 60438}, {"", ""}}, {814.2692, 5.7653933, "Meta"} -> 
    {{73994, 63274, 56338}, {"", ""}}, {352.0723, 5.766555, "Meta"} -> 
    {{236909, 230039, 203034}, {"Griseofulvin [ C17 H17 Cl O6, db=62.45, \
overall=31.22, KEGG ID=C06686, CAS ID=126-07-8 ]", "126-07-8"}}, 
   {561.114, 5.765363, "Meta"} -> {{62641, 50560, 40544}, {"", ""}}, 
   {367.0347, 5.766611, "Meta"} -> {{274096, 225304, 189969}, 
     {"H 167/87 [ C17 H15 Cl2 N O4, db=30.19, overall=15.10, KEGG ID=, CAS \
ID=91854-01-2 ]", "91854-01-2"}}, {137.0587, 5.7666464, "Meta"} -> 
    {{238238, 221348, 243917}, {"Isoniazid [ C6 H7 N3 O, db=85.82, \
overall=42.91, KEGG ID=C07054, CAS ID=54-85-3 ]", "54-85-3"}}, 
   {680.2204, 5.7653627, "Meta"} -> {{59586, 65820, 62795}, {"", ""}}, 
   {194.0796, 5.7665, "Meta"} -> {{1.99*^7, 1.81*^7, 1.7*^7}, 
     {"D-Glucoside [ C7 H14 O6, db=97.63, overall=48.82, HMP ID=HMDB03570, \
KEGG ID= ]", ""}}, {292.0482, 5.7668047, "Meta"} -> 
    {{109175, 95369, 94191}, {"", ""}}, {427.0664, 5.7660594, "Meta"} -> 
    {{42353, 42107, 33811}, {"", ""}}, {308.021, 5.7663703, "Meta"} -> 
    {{43737, 43015, 30907}, {"", ""}}, {336.0987, 5.766, "Meta"} -> 
    {{33656, 34155, 22578}, {"", ""}}, {339.0394, 5.7657404, "Meta"} -> 
    {{33783, 28997, 22335}, {"", ""}}, {276.0943, 5.767443, "Meta"} -> 
    {{233744, 231048, 214627}, 
     {"Glu Glu [ C10 H16 N2 O7, db=91.86, overall=45.93 ]", ""}}, 
   {546.167, 5.766311, "Meta"} -> {{1, 64785, 1}, {"", ""}}, 
   {82.0146, 5.7676473, "Meta"} -> {{399827, 409824, 379915}, {"", ""}}, 
   {450.2112, 6.0146294, "Meta"} -> {{46332, 45690, 46079}, {"", ""}}, 
   {598.3831, 6.149971, "Meta"} -> {{87639, 1, 123128}, {"", ""}}, 
   {210.1363, 6.1674, "Meta"} -> {{1, 214247, 199523}, {"", ""}}, 
   {1076.5251, 6.1918607, "Meta"} -> {{786381, 781550, 791934}, {"", ""}}, 
   {285.1937, 6.2077217, "Meta"} -> {{321096, 189152, 262099}, {"", ""}}, 
   {413.1947, 6.402389, "Meta"} -> {{386413, 361153, 381582}, 
     {"Phe Phe Thr [ C22 H27 N3 O5, db=96.85, overall=48.42 ]", ""}}, 
   {210.1363, 6.4091425, "Meta"} -> {{127635, 160134, 156762}, {"", ""}}, 
   {171.1256, 6.4184237, "Meta"} -> {{717265, 1, 734341}, 
     {"Gabapentin [ C9 H17 N O2, db=89.41, overall=44.71, KEGG ID=C07018, CAS \
ID=60142-96-3 ]", "60142-96-3"}}, {225.134, 6.4274607, "Meta"} -> 
    {{1, 241935, 248417}, {"", ""}}, {464.2267, 6.4558063, "Meta"} -> 
    {{42998, 42256, 47206}, {"", ""}}, {636.2752, 6.4700866, "Meta"} -> 
    {{61397, 54924, 64589}, 
     {" [ C34 H40 N2 O10, db=0.00, overall=30.97, mfg=61.94 ]", ""}}, 
   {401.8564, 6.4737997, "Meta"} -> {{123395, 81713, 127113}, {"", ""}}, 
   {1205.5684, 6.4744167, "Meta"} -> {{1611611, 1185045, 1710055}, {"", ""}}, 
   {650.291, 6.4855704, "Meta"} -> {{43427, 42374, 52138}, {"", ""}}, 
   {1072.4163, 6.52011, "Meta"} -> {{76233, 56695, 53615}, {"", ""}}, 
   {1019.5046, 6.519862, "Meta"} -> {{2992629, 2848574, 3073398}, {"", ""}}, 
   {339.8352, 6.519917, "Meta"} -> {{80724, 70006, 74864}, {"", ""}}, 
   {370.2202, 6.5523853, "Meta"} -> {{25382, 22784, 26084}, {"", ""}}, 
   {393.1896, 6.6016774, "Meta"} -> {{53822, 44392, 51097}, 
     {"Phe Leu Asp [ C19 H27 N3 O6, db=93.55, overall=46.78 ]", ""}}, 
   {1262.5898, 6.6459446, "Meta"} -> {{1073792, 1089966, 1138939}, {"", ""}}, 
   {748.3746, 6.6664577, "Meta"} -> {{197367, 181462, 196360}, {"", ""}}, 
   {467.5117, 6.6833715, "Meta"} -> {{67020, 54351, 57033}, {"", ""}}, 
   {449.8743, 6.681861, "Meta"} -> {{240463, 225212, 250931}, {"", ""}}, 
   {1349.622, 6.682221, "Meta"} -> {{1991758, 1850012, 2119123}, {"", ""}}, 
   {462.5233, 6.6829696, "Meta"} -> {{115567, 109615, 106621}, {"", ""}}, 
   {467.8464, 6.68125, "Meta"} -> {{52163, 43533, 44903}, {"", ""}}, 
   {457.2013, 6.682588, "Meta"} -> {{46018, 46022, 52172}, {"", ""}}, 
   {1076.5258, 6.7304854, "Meta"} -> {{34112, 31401, 34253}, {"", ""}}, 
   {298.1418, 6.74896, "Meta"} -> {{165784, 93893, 129317}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=73.54, overall=36.77, \
KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {1200.5566, 6.7732415, "Meta"} -> {{81550, 81828, 81019}, {"", ""}}, 
   {741.297, 6.7771387, "Meta"} -> {{108383, 106812, 89068}, {"", ""}}, 
   {189.0785, 6.956638, "Meta"} -> {{337731, 311460, 298850}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=94.09, overall=47.05, HMP \
ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {429.2361, 6.977999, "Meta"} -> {{61926, 71793, 94917}, 
     {"Pro Trp Lys [ C22 H31 N5 O4, db=90.19, overall=45.09 ]", ""}}, 
   {260.0935, 7.0326056, "Meta"} -> {{178367, 112371, 43865}, 
     {"Furafylline [ C12 H12 N4 O3, db=57.24, overall=28.62, KEGG ID=, CAS \
ID=80288-49-9 ]", "80288-49-9"}}, {179.1517, 7.0339313, "Meta"} -> 
    {{114290, 71957, 30110}, {"", ""}}, {162.1254, 7.032972, "Meta"} -> 
    {{3325156, 2397748, 850159}, {"", ""}}, {386.884, 7.089772, "Meta"} -> 
    {{134116, 173170, 96468}, {"", ""}}, {339.9438, 7.090166, "Meta"} -> 
    {{164425, 175421, 121741}, {"", ""}}, {165.9783, 7.0914993, "Meta"} -> 
    {{136860, 324787, 193675}, {"", ""}}, {324.978, 7.0900297, "Meta"} -> 
    {{53260, 74055, 40836}, {"", ""}}, {389.8912, 7.089734, "Meta"} -> 
    {{56221, 79893, 32127}, {"", ""}}, {554.8763, 7.0902586, "Meta"} -> 
    {{520626, 664301, 1}, {"", ""}}, {590.8546, 7.090121, "Meta"} -> 
    {{215151, 290779, 149346}, {"", ""}}, {166.9861, 7.0904727, "Meta"} -> 
    {{5352763, 8235410, 5554091}, {"", ""}}, {280.9265, 7.090501, "Meta"} -> 
    {{149619, 174702, 109504}, {"", ""}}, {264.9547, 7.0911846, "Meta"} -> 
    {{31741, 46072, 30113}, {"", ""}}, {395.8936, 7.0915, "Meta"} -> 
    {{71194, 99632, 95862}, {"", ""}}, {431.8628, 7.0915837, "Meta"} -> 
    {{51501, 54246, 27427}, {"", ""}}, {624.9684, 7.1091247, "Meta"} -> 
    {{20149, 27950, 15166}, {"", ""}}, {534.1705, 7.1183324, "Meta"} -> 
    {{10747, 11953, 1}, {"", ""}}, {354.0646, 7.1213336, "Meta"} -> 
    {{46718, 42418, 44708}, {"", ""}}, {238.0838, 7.121195, "Meta"} -> 
    {{470138, 446128, 455688}, {"Propanoic acid, \
2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- [ C12 H14 O5, db=99.24, \
overall=49.62, KEGG ID=, CAS ID=53564-64-0 ]", "53564-64-0"}}, 
   {278.0763, 7.119251, "Meta"} -> {{273906, 283858, 273215}, {"", ""}}, 
   {351.0169, 7.127134, "Meta"} -> {{29420, 19527, 20645}, {"", ""}}, 
   {1560.7216, 7.157438, "Meta"} -> {{54739, 54842, 51999}, {"", ""}}, 
   {941.4612, 7.1827216, "Meta"} -> {{67660, 62828, 61412}, {"", ""}}, 
   {299.2095, 7.264514, "Meta"} -> {{23070, 25071, 27215}, {"", ""}}, 
   {270.1572, 7.337296, "Meta"} -> {{23883, 1, 27290}, {"", ""}}, 
   {280.1885, 7.331959, "Meta"} -> {{156941, 31225, 175228}, {"", ""}}, 
   {361.1425, 7.353097, "Meta"} -> {{34023, 31962, 18142}, 
     {"N-Acetylnorfloxacin [ C18 H20 F N3 O4, db=74.33, overall=37.17, KEGG \
ID=, CAS ID=74011-56-6 ]", "74011-56-6"}}, {309.194, 7.3625283, "Meta"} -> 
    {{138438, 110291, 145452}, {"Nadolol [ C17 H27 N O4, db=98.01, \
overall=49.00, KEGG ID=C07249, CAS ID=42200-33-9 ]", "42200-33-9"}}, 
   {920.4221, 7.436666, "Meta"} -> {{146818, 126888, 129987}, {"", ""}}, 
   {287.2094, 7.4803905, "Meta"} -> {{115627, 82727, 98018}, 
     {"O-octanoyl-R-carnitine [ C15 H29 N O4, db=84.96, overall=42.48, Lipid \
ID=, KEGG ID=C02838 ]", ""}}, {206.1518, 7.485084, "Meta"} -> 
    {{1, 78120, 121467}, {"", ""}}, {174.0887, 7.533999, "Meta"} -> 
    {{616814, 560338, 280169}, {"2-Propylglutaric acid [ C8 H14 O4, db=96.02, \
overall=48.01, KEGG ID=, CAS ID=32806-62-5 ]", "32806-62-5"}}, 
   {142.0625, 7.5357056, "Meta"} -> {{155695, 155791, 82561}, 
     {"7-hydroxy-5-heptynoic acid [ C7 H10 O3, db=91.50, overall=45.75, Lipid \
ID=, KEGG ID= ]", ""}}, {833.3582, 7.620576, "Meta"} -> 
    {{423555, 407638, 404509}, {"", ""}}, {182.0914, 7.628904, "Meta"} -> 
    {{83569, 71959, 82734}, {"Dacarbazine [ C6 H10 N6 O, db=63.87, \
overall=31.94, KEGG ID=C06936, CAS ID=4342-03-4 ]", "3/4/42"}}, 
   {1389.6527, 7.619026, "Meta"} -> {{314235, 479274, 337078}, {"", ""}}, 
   {170.1415, 7.7676864, "Meta"} -> {{96319, 82522, 112166}, {"", ""}}, 
   {1193.519, 7.7542224, "Meta"} -> {{240670, 278090, 359008}, {"", ""}}, 
   {318.1216, 7.8365397, "Meta"} -> {{75002, 17769, 102118}, 
     {"Fluvoxamine acid [ C14 H17 F3 N2 O3, db=57.11, overall=28.55, KEGG \
ID=, CAS ID=84692-89-7 ]", "84692-89-7"}}, {432.8377, 7.851473, "Meta"} -> 
    {{61474, 61400, 43983}, {"", ""}}, {433.1729, 7.8523235, "Meta"} -> 
    {{47207, 42039, 34928}, {"", ""}}, {1245.5992, 7.851389, "Meta"} -> 
    {{3373280, 3955114, 3319601}, {"", ""}}, {415.2002, 7.8513994, "Meta"} -> 
    {{283476, 297300, 262640}, {"", ""}}, {428.1836, 7.8517575, "Meta"} -> 
    {{77508, 74596, 70651}, 
     {"Ser Trp His [ C20 H24 N6 O5, db=49.60, overall=24.80 ]", ""}}, 
   {1298.5118, 7.8517423, "Meta"} -> {{130482, 147399, 108814}, {"", ""}}, 
   {863.401, 7.871555, "Meta"} -> {{494337, 451899, 436736}, {"", ""}}, 
   {916.3146, 7.8727407, "Meta"} -> {{1, 36594, 31586}, {"", ""}}, 
   {189.0785, 7.8873053, "Meta"} -> {{62151, 56835, 49483}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=68.09, overall=34.05, HMP \
ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {185.1414, 7.8914566, "Meta"} -> {{1, 191559, 201600}, 
     {"N-methyl-Gabapentin [ C10 H19 N O2, db=74.42, overall=37.21, KEGG ID=, \
CAS ID=102937-74-6 ]", "102937-74-6"}}, {208.0732, 8.064808, "Meta"} -> 
    {{74812, 69178, 74227}, {"2,5-Dimethoxycinnamic acid [ C11 H12 O4, \
db=79.88, overall=39.94, HMP ID=HMDB02370, KEGG ID= ]", ""}}, 
   {318.1217, 8.112399, "Meta"} -> {{69990, 17693, 116260}, 
     {"Fluvoxamine acid [ C14 H17 F3 N2 O3, db=51.04, overall=25.52, KEGG \
ID=, CAS ID=84692-89-7 ]", "84692-89-7"}}, {186.1189, 8.142306, "Meta"} -> 
    {{461009, 395467, 312082}, {"", ""}}, {415.3079, 8.180323, "Meta"} -> 
    {{37814, 1, 32942}, {"", ""}}, {301.2252, 8.18464, "Meta"} -> 
    {{68500, 57480, 69025}, {"", ""}}, {210.0888, 8.229969, "Meta"} -> 
    {{30088, 16902, 37176}, {"Methoxyhydroxymethylhydrocinnamic acid [ C11 \
H14 O4, db=76.31, overall=38.15, KEGG ID=, CAS ID=53832-93-2 ]", 
      "53832-93-2"}}, {619.2852, 8.249543, "Meta"} -> 
    {{74584, 110013, 90161}, 
     {" [ C34 H41 N3 O8, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {301.2252, 8.364499, "Meta"} -> {{26597, 1, 31458}, {"", ""}}, 
   {224.1042, 8.49708, "Meta"} -> {{49835, 35810, 1}, {"", ""}}, 
   {222.0865, 8.595155, "Meta"} -> {{1, 54723, 68178}, {"", ""}}, 
   {538.2428, 8.63658, "Meta"} -> {{20970, 19666, 17475}, {"", ""}}, 
   {289.1346, 8.648037, "Meta"} -> {{80431, 1, 44319}, {"", ""}}, 
   {332.1369, 8.648942, "Meta"} -> {{66161, 223811, 99137}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=83.61, \
overall=41.80, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {247.1604, 8.659072, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1395.5562, 8.677833, "Meta"} -> {{5452034, 5658090, 5938828}, {"", ""}}, 
   {1237.4865, 8.679944, "Meta"} -> {{1485292, 1512933, 1706720}, {"", ""}}, 
   {1290.4019, 8.679688, "Meta"} -> {{128025, 1, 129676}, {"", ""}}, 
   {1059.5352, 8.717444, "Meta"} -> {{212848, 372032, 200113}, {"", ""}}, 
   {201.1364, 8.713065, "Meta"} -> {{21872, 18455, 1}, 
     {"Capryloylglycine [ C10 H19 N O3, db=67.21, overall=33.61, HMP \
ID=HMDB00832, KEGG ID= ]", ""}}, {302.1881, 8.721181, "Meta"} -> 
    {{41411, 35053, 33776}, {"2-Methoxyestradiol [ C19 H26 O3, db=78.62, \
overall=39.31, HMP ID=HMDB00405, KEGG ID= ]", ""}}, 
   {496.2306, 8.726456, "Meta"} -> {{55135, 47670, 50291}, {"", ""}}, 
   {594.2002, 8.727458, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {332.1369, 8.780612, "Meta"} -> {{510775, 478743, 559929}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=85.03, \
overall=42.52, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {430.1107, 8.796733, "Meta"} -> {{26550, 36054, 32129}, {"", ""}}, 
   {300.1108, 8.80197, "Meta"} -> {{130062, 182185, 162320}, {"", ""}}, 
   {313.2252, 8.7906, "Meta"} -> {{96890, 86116, 38634}, {"", ""}}, 
   {286.2617, 8.82916, "Meta"} -> {{43703, 43760, 1}, {"", ""}}, 
   {346.1526, 8.849605, "Meta"} -> {{27791, 39279, 32532}, {"", ""}}, 
   {215.1519, 8.867749, "Meta"} -> {{132449, 112587, 130707}, {"", ""}}, 
   {224.1021, 8.969444, "Meta"} -> {{33679, 30041, 26470}, {"", ""}}, 
   {223.1208, 8.969972, "Meta"} -> {{24733, 24320, 23459}, 
     {"Rimiterol [ C12 H17 N O3, db=47.61, overall=23.81, KEGG ID=, CAS \
ID=32953-89-2 ]", "32953-89-2"}}, {196.1092, 8.977416, "Meta"} -> 
    {{23355, 1, 1}, {"Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- [ C11 H16 \
O3, db=59.23, overall=29.61, KEGG ID=, CAS ID=64111-04-2 ]", "64111-04-2"}}, 
   {253.165, 9.127285, "Meta"} -> {{232238, 1, 195575}, {"", ""}}, 
   {199.157, 9.126751, "Meta"} -> {{546270, 528568, 497274}, {"", ""}}, 
   {1089.4962, 9.145666, "Meta"} -> {{417241, 547294, 448673}, {"", ""}}, 
   {346.1526, 9.17123, "Meta"} -> {{1, 26962, 1}, {"", ""}}, 
   {181.1102, 9.210125, "Meta"} -> {{78042, 66713, 79542}, 
     {"2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- Metabolite [ C10 H15 N \
O2, db=76.98, overall=38.49, KEGG ID=, CAS ID= ]", ""}}, 
   {382.2563, 9.247962, "Meta"} -> {{234926, 246482, 235950}, 
     {"C17 Sphingosine-1-phosphate [ C17 H39 N2 O5 P, db=59.88, \
overall=29.94, Lipid ID=LMSP01040004, KEGG ID= ]", ""}}, 
   {592.3259, 9.304143, "Meta"} -> {{82256, 59579, 73135}, {"", ""}}, 
   {298.1321, 9.309667, "Meta"} -> {{101981, 39050, 87500}, {"", ""}}, 
   {411.1791, 9.316696, "Meta"} -> {{72529, 32194, 81018}, 
     {"Tyr Val Met [ C19 H29 N3 O5 S, db=58.11, overall=29.06 ]", ""}}, 
   {332.1369, 9.345439, "Meta"} -> {{30829, 36847, 43023}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=61.66, \
overall=30.83, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {189.1184, 9.360473, "Meta"} -> {{870617, 134040, 1275675}, {"", ""}}, 
   {211.1571, 9.3698, "Meta"} -> {{45146, 58525, 56688}, {"", ""}}, 
   {196.1076, 9.373194, "Meta"} -> {{50827, 55368, 47362}, {"", ""}}, 
   {343.2259, 9.375806, "Meta"} -> {{28401, 1, 58459}, 
     {"dibucaine [ C20 H29 N3 O2, db=78.46, overall=39.23, KEGG ID=, CAS \
ID=85-79-0 ]", "85-79-0"}}, {594.3415, 9.429972, "Meta"} -> 
    {{58210, 50601, 68322}, {"L-Urobilin [ C33 H46 N4 O6, db=97.19, \
overall=48.59, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {202.1203, 9.477693, "Meta"} -> {{58398, 82221, 136250}, 
     {"sebacic acid [ C10 H18 O4, db=70.07, overall=35.04, KEGG ID=C08277, \
CAS ID=111-20-6 ]", "111-20-6"}}, {254.1153, 9.500695, "Meta"} -> 
    {{32915, 50777, 44958}, {"methyl \
4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ C13 H18 O5, \
db=77.56, overall=38.78, Lipid ID=, KEGG ID= ]", ""}}, 
   {640.2432, 9.499125, "Meta"} -> {{18701, 16960, 16439}, 
     {"5-Methyltetrahydropteroyltri-L-glutamate [ C25 H36 N8 O12, db=61.28, \
overall=30.64, KEGG ID=C04489, CAS ID= ]", ""}}, 
   {564.2544, 9.498889, "Meta"} -> {{65451, 59407, 57416}, {"", ""}}, 
   {330.2192, 9.5008, "Meta"} -> {{28352, 31225, 28378}, 
     {"Gestodene metabolite 2 [ C21 H30 O3, db=68.18, overall=34.09, KEGG \
ID=, CAS ID= ]", ""}}, {262.12, 9.519543, "Meta"} -> 
    {{54917, 68158, 50825}, {"Artemisin [ C15 H18 O4, db=68.17, \
overall=34.08, Lipid ID=LMPR01030020, KEGG ID=C09344 ]", ""}}, 
   {264.1357, 9.516806, "Meta"} -> {{165743, 191983, 128205}, {"", ""}}, 
   {327.2406, 9.530406, "Meta"} -> {{90179, 74328, 111776}, {"", ""}}, 
   {463.184, 9.53997, "Meta"} -> {{57624, 52507, 48636}, 
     {"Ritodrine glucuronide [ C23 H29 N O9, db=95.20, overall=47.60, KEGG \
ID=, CAS ID=129464-58-0 ]", "129464-58-0"}}, {273.1762, 9.569387, "Meta"} -> 
    {{62703, 60564, 62079}, {"", ""}}, {327.2405, 9.610461, "Meta"} -> 
    {{1, 52544, 1}, {"", ""}}, {273.1762, 9.6855, "Meta"} -> 
    {{88104, 83006, 74037}, {"", ""}}, {360.1935, 9.683611, "Meta"} -> 
    {{71022, 67233, 62876}, {"Aldosterone [ C21 H28 O5, db=80.00, \
overall=40.00, KEGG ID=, CAS ID=52-39-1 ]", "52-39-1"}}, 
   {238.1201, 9.702206, "Meta"} -> {{164715, 132383, 91505}, {"", ""}}, 
   {520.202, 9.758688, "Meta"} -> {{20760, 1, 14769}, {"", ""}}, 
   {422.2412, 9.75828, "Meta"} -> {{158047, 142085, 132393}, {"", ""}}, 
   {362.2091, 9.759223, "Meta"} -> {{447909, 274220, 368855}, 
     {"20alpha-Dihydroprednisolone [ C21 H30 O5, db=80.45, overall=40.22, \
KEGG ID=, CAS ID=15847-24-2 ]", "15847-24-2"}}, 
   {346.214, 9.791315, "Meta"} -> {{28811, 33312, 31842}, 
     {"Corticosterone [ C21 H30 O4, db=61.19, overall=30.59, HMP \
ID=HMDB01547, KEGG ID= ]", ""}}, {638.2274, 9.789353, "Meta"} -> 
    {{26467, 19796, 19699}, {"", ""}}, {346.1525, 9.793889, "Meta"} -> 
    {{146657, 208341, 160871}, {"", ""}}, {562.2387, 9.788788, "Meta"} -> 
    {{72274, 57552, 55486}, {"", ""}}, {557.2833, 9.790912, "Meta"} -> 
    {{20731, 23780, 23201}, {"", ""}}, {510.2462, 9.815877, "Meta"} -> 
    {{23452, 26174, 14303}, {"", ""}}, {229.1674, 9.85191, "Meta"} -> 
    {{57869, 48834, 52907}, {"", ""}}, {548.2599, 9.858362, "Meta"} -> 
    {{22453, 17505, 18861}, {"", ""}}, {504.2344, 9.858466, "Meta"} -> 
    {{29243, 29872, 28284}, {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 \
O9, db=72.48, overall=36.24, KEGG ID=, CAS ID= ]", ""}}, 
   {470.3088, 9.879321, "Meta"} -> {{209542, 190814, 201172}, {"", ""}}, 
   {550.2021, 9.877315, "Meta"} -> {{25665, 21838, 24106}, {"", ""}}, 
   {346.1525, 9.904173, "Meta"} -> {{118191, 192766, 132729}, {"", ""}}, 
   {238.0238, 9.941334, "Meta"} -> {{116637, 112998, 109346}, {"", ""}}, 
   {396.272, 9.949917, "Meta"} -> {{176070, 176704, 178430}, {"", ""}}, 
   {352.1786, 9.951111, "Meta"} -> {{120700, 168109, 116950}, {"", ""}}, 
   {244.0709, 9.960057, "Meta"} -> {{106408, 69742, 77415}, 
     {"Uridine [ C9 H12 N2 O6, db=67.18, overall=33.59, KEGG ID=C00299, CAS \
ID=58-96-8 ]", "58-96-8"}}, {238.1185, 9.979892, "Meta"} -> 
    {{21434, 16876, 19811}, {"", ""}}, {330.1981, 9.977964, "Meta"} -> 
    {{63143, 58952, 1}, 
     {"Val Arg Gly [ C13 H26 N6 O4, db=57.73, overall=28.86 ]", ""}}, 
   {284.0936, 9.975928, "Meta"} -> {{24095, 20156, 1}, {"", ""}}, 
   {463.2106, 10.027572, "Meta"} -> {{14038, 13104, 13075}, {"", ""}}, 
   {314.1266, 10.0307455, "Meta"} -> {{95568, 165833, 147630}, {"", ""}}, 
   {314.2933, 10.043069, "Meta"} -> {{53740, 48061, 62097}, {"", ""}}, 
   {285.1574, 10.05632, "Meta"} -> {{1, 20480, 1}, {"6,7-Dimethyltetrahydropt\
erin [ C15 H19 N5 O, db=55.04, overall=27.52, HMP ID=HMDB02397, KEGG ID= ]", 
      ""}}, {300.1323, 10.061844, "Meta"} -> {{55345, 51490, 57123}, 
     {"8-Hydroxypromazine [ C17 H20 N2 O S, db=45.98, overall=22.99, KEGG \
ID=, CAS ID=130349-17-6 ]", "130349-17-6"}}, {356.0424, 10.055119, "Meta"} -> 
    {{58558, 40851, 37925}, {"", ""}}, {758.2462, 10.054517, "Meta"} -> 
    {{1, 40318, 1}, {"", ""}}, {524.1633, 10.055028, "Meta"} -> 
    {{23046, 23546, 28791}, {"", ""}}, {338.0701, 10.055571, "Meta"} -> 
    {{226260, 210711, 201641}, 
     {"Asn Cys Cys [ C10 H18 N4 O5 S2, db=69.48, overall=34.74 ]", ""}}, 
   {240.0997, 10.05514, "Meta"} -> {{2504589, 2230069, 2203041}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=99.31, overall=49.66, KEGG ID=, CAS ID=56392-15-5 ]", "56392-15-5"}}, 
   {180.0783, 10.055166, "Meta"} -> {{289190, 284115, 282392}, 
     {"o-Methoxyhydrocinnamic acid [ C10 H12 O3, db=99.04, overall=49.52, \
KEGG ID=, CAS ID= ]", ""}}, {222.0891, 10.055057, "Meta"} -> 
    {{1505956, 1427070, 1453798}, {"2E,4E,8E,10E-Dodecatetraenedioic acid [ \
C12 H14 O4, db=99.63, overall=49.81, Lipid ID=, KEGG ID= ]", ""}}, 
   {773.212, 10.0548, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {428.1355, 10.05561, "Meta"} -> {{48804, 34810, 41179}, {"", ""}}, 
   {284.0629, 10.055297, "Meta"} -> {{44897, 18695, 38348}, {"", ""}}, 
   {370.0939, 10.056542, "Meta"} -> {{29429, 23063, 22765}, {"", ""}}, 
   {518.1473, 10.055831, "Meta"} -> {{69394, 61557, 55637}, {"", ""}}, 
   {353.0342, 10.055324, "Meta"} -> {{117013, 96469, 84786}, {"", ""}}, 
   {413.0684, 10.055799, "Meta"} -> {{62161, 53138, 43297}, {"", ""}}, 
   {254.1151, 10.055778, "Meta"} -> {{76302, 76972, 80167}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=92.65, overall=46.32, Lipid ID=, KEGG ID= ]", ""}}, 
   {382.1291, 10.055561, "Meta"} -> {{28599, 30086, 1}, 
     {"Asn Phe Cys [ C16 H22 N4 O5 S, db=52.83, overall=26.41 ]", ""}}, 
   {270.1108, 10.057515, "Meta"} -> {{130197, 126628, 114919}, 
     {"Idebenone Metabolite (Benzenebutanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C13 H18 O6, db=87.10, overall=43.55, \
KEGG ID=, CAS ID=95233-52-6 ]", "95233-52-6"}}, 
   {238.0837, 10.05803, "Meta"} -> {{1, 36359, 43636}, 
     {"Propanoic acid, 2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- [ C12 H14 O5, \
db=79.56, overall=39.78, KEGG ID=, CAS ID=53564-64-0 ]", "53564-64-0"}}, 
   {329.2564, 10.071557, "Meta"} -> {{68277, 79528, 69310}, {"", ""}}, 
   {298.1417, 10.074715, "Meta"} -> {{51059, 51210, 1}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=61.89, overall=30.94, \
KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {267.1807, 10.080885, "Meta"} -> {{77392, 65813, 82255}, 
     {"Metoprolol [ C15 H25 N O3, db=55.81, overall=27.91, KEGG ID=C07202, \
CAS ID=51384-51-1 ]", "51384-51-1"}}, {213.1727, 10.082888, "Meta"} -> 
    {{158354, 105388, 145918}, {"", ""}}, {280.1306, 10.084135, "Meta"} -> 
    {{21619, 1, 1}, {"Betaxolol(deaminated) [ C15 H20 O5, db=67.92, \
overall=33.96, KEGG ID=, CAS ID=87549-34-6 ]", "87549-34-6"}}, 
   {324.0999, 10.10015, "Meta"} -> {{87533, 551946, 36985}, 
     {"7-Hydroxywarfarin [ C19 H16 O5, db=62.79, overall=31.40, KEGG ID=, CAS \
ID=17834-03-6 ]", "17834-03-6"}}, {542.2723, 10.113879, "Meta"} -> 
    {{13941, 12932, 15056}, {"", ""}}, {226.1503, 10.1374, "Meta"} -> 
    {{85168, 121639, 70501}, {"", ""}}, {564.2545, 10.16625, "Meta"} -> 
    {{26798, 27117, 31626}, {"", ""}}, {157.1461, 10.186832, "Meta"} -> 
    {{426802, 238842, 562814}, {"", ""}}, {776.6856, 10.190693, "Meta"} -> 
    {{139761, 116112, 119307}, {"Thyroxine [ C15 H11 I4 N O4, db=98.31, \
overall=49.15, KEGG ID=C08212, CAS ID=51-48-9 ]", "51-48-9"}}, 
   {275.1915, 10.220444, "Meta"} -> {{180933, 161167, 173120}, {"", ""}}, 
   {258.165, 10.220358, "Meta"} -> {{16748, 1, 25964}, {"", ""}}, 
   {250.1179, 10.22413, "Meta"} -> {{20674, 21127, 21602}, {"", ""}}, 
   {210.123, 10.228934, "Meta"} -> {{93156, 1, 82425}, {"", ""}}, 
   {346.1381, 10.229135, "Meta"} -> {{20907, 19858, 21888}, {"", ""}}, 
   {286.1097, 10.229067, "Meta"} -> {{15133, 19556, 1}, 
     {"His Met [ C11 H18 N4 O3 S, db=62.46, overall=31.23 ]", ""}}, 
   {438.1865, 10.251937, "Meta"} -> {{1, 14136, 14005}, 
     {"Phe Ser Trp [ C23 H26 N4 O5, db=47.42, overall=23.71 ]", ""}}, 
   {254.1509, 10.254307, "Meta"} -> {{44996, 20566, 1}, {"", ""}}, 
   {222.1614, 10.2523, "Meta"} -> {{1, 1, 23667}, {"", ""}}, 
   {272.162, 10.262467, "Meta"} -> {{1, 55890, 57473}, {"", ""}}, 
   {324.0948, 10.281, "Meta"} -> {{26224, 1, 19542}, {"", ""}}, 
   {166.0989, 10.282687, "Meta"} -> {{42890, 38573, 28031}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=46.36, overall=23.18, Lipid \
ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, {615.2453, 10.311601, "Meta"} -> 
    {{1, 38400, 1}, {"", ""}}, {582.2476, 10.3178005, "Meta"} -> 
    {{486841, 469365, 467158}, {"Biliverdin IX [ C33 H34 N4 O6, db=70.82, \
overall=35.41, HMP ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", 
      " 114-25-0"}}, {612.2579, 10.319498, "Meta"} -> 
    {{20420, 49856, 35506}, {"", ""}}, {598.2435, 10.3203745, "Meta"} -> 
    {{1, 38261, 35992}, {"", ""}}, {580.2318, 10.321624, "Meta"} -> 
    {{1, 77590, 68446}, {"", ""}}, {302.1078, 10.325857, "Meta"} -> 
    {{1, 29489, 1}, {"", ""}}, {299.1918, 10.32961, "Meta"} -> 
    {{236909, 233109, 244425}, {"", ""}}, {144.1147, 10.324371, "Meta"} -> 
    {{58003, 56087, 64189}, {"\207-ethyl caproic acid [ C8 H16 O2, db=81.51, \
overall=40.75, KEGG ID=, CAS ID= ]", ""}}, {489.1998, 10.348856, "Meta"} -> 
    {{26048, 1, 23174}, {"Terbinafine metabolite glucuronide [ C25 H31 N O9, \
db=76.80, overall=38.40, KEGG ID=, CAS ID= ]", ""}}, 
   {264.0959, 10.353962, "Meta"} -> {{1, 32833, 1}, {"", ""}}, 
   {319.0784, 10.364562, "Meta"} -> {{221625, 41811, 186845}, {"", ""}}, 
   {453.2262, 10.414259, "Meta"} -> {{49414, 67633, 46319}, {"", ""}}, 
   {252.134, 10.437142, "Meta"} -> {{37375, 39068, 36135}, {"", ""}}, 
   {343.2186, 10.472101, "Meta"} -> {{23795, 1, 1}, {"", ""}}, 
   {632.2476, 10.46173, "Meta"} -> {{1, 18526, 16664}, {"", ""}}, 
   {314.1266, 10.46791, "Meta"} -> {{68246, 50653, 93792}, {"", ""}}, 
   {245.145, 10.478071, "Meta"} -> {{64829, 37992, 57068}, {"", ""}}, 
   {690.4105, 10.481418, "Meta"} -> {{12933, 11780, 12138}, {"", ""}}, 
   {492.2092, 10.482031, "Meta"} -> {{37828, 36135, 30114}, {"", ""}}, 
   {416.2284, 10.482223, "Meta"} -> {{123233, 122073, 119733}, 
     {"Ramipril [ C23 H32 N2 O5, db=71.08, overall=35.54, KEGG ID=C07232, CAS \
ID=87333-19-5 ]", "87333-19-5"}}, {356.1961, 10.4823885, "Meta"} -> 
    {{181011, 155775, 138764}, {"", ""}}, {316.2036, 10.483486, "Meta"} -> 
    {{72552, 68183, 66252}, {"Acitretin Ro 23-4293 [ C20 H28 O3, db=83.16, \
overall=41.58, KEGG ID=, CAS ID=121693-28-5 ]", "121693-28-5"}}, 
   {319.218, 10.518692, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {250.118, 10.512572, "Meta"} -> {{36183, 36197, 28407}, {"", ""}}, 
   {205.1132, 10.609686, "Meta"} -> {{235313, 186015, 602029}, {"", ""}}, 
   {218.0879, 10.616875, "Meta"} -> {{116598, 81678, 69506}, {"", ""}}, 
   {254.1511, 10.619676, "Meta"} -> {{59827, 46071, 52602}, {"", ""}}, 
   {243.1831, 10.626083, "Meta"} -> {{252387, 252735, 187313}, {"", ""}}, 
   {225.1725, 10.6266775, "Meta"} -> {{44550, 53954, 46105}, {"", ""}}, 
   {385.2821, 10.648808, "Meta"} -> {{17803, 1, 14763}, {"", ""}}, 
   {602.2044, 10.638667, "Meta"} -> {{1, 19778, 14933}, {"", ""}}, 
   {545.3771, 10.661119, "Meta"} -> {{115545, 115342, 139732}, {"", ""}}, 
   {325.2075, 10.677681, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {173.1233, 10.677229, "Meta"} -> {{888038, 202104, 1042080}, {"", ""}}, 
   {171.1619, 10.675749, "Meta"} -> {{144968, 110426, 114949}, {"", ""}}, 
   {301.2074, 10.694365, "Meta"} -> {{72290, 71687, 74065}, {"", ""}}, 
   {286.1105, 10.689359, "Meta"} -> {{38881, 23055, 1}, 
     {"Hydroxymelphalan [ C13 H19 Cl N2 O3, db=66.75, overall=33.38, KEGG \
ID=, CAS ID=61733-01-5 ]", "61733-01-5"}}, {346.1349, 10.691233, "Meta"} -> 
    {{22484, 23528, 28360}, {"", ""}}, {343.2722, 10.704386, "Meta"} -> 
    {{48721, 50957, 1}, {"Dodecanoylcarnitine [ C19 H37 N O4, db=90.71, \
overall=45.36, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {302.1125, 10.712086, "Meta"} -> {{27429, 21679, 24211}, {"", ""}}, 
   {340.1257, 10.728134, "Meta"} -> {{1, 22292, 19383}, {"", ""}}, 
   {242.1516, 10.728, "Meta"} -> {{181448, 171642, 161369}, {"", ""}}, 
   {400.1631, 10.728265, "Meta"} -> {{23779, 25762, 19403}, 
     {"N-AcetylCilastatin [ C18 H28 N2 O6 S, db=63.48, overall=31.74, KEGG \
ID=, CAS ID=94388-32-6 ]", "94388-32-6"}}, {331.2723, 10.732485, "Meta"} -> 
    {{54265, 47951, 51478}, {"", ""}}, {252.1335, 10.748029, "Meta"} -> 
    {{53049, 39340, 42545}, {"", ""}}, {212.1408, 10.760103, "Meta"} -> 
    {{32404, 1, 32458}, {"12-oxo-10Z-dodecenoic acid [ C12 H20 O3, db=80.89, \
overall=40.45, Lipid ID=, KEGG ID= ]", ""}}, {239.1884, 10.751323, "Meta"} -> 
    {{63170, 61708, 45732}, {"", ""}}, {226.0562, 10.78225, "Meta"} -> 
    {{104407, 109775, 104996}, {"", ""}}, {367.2718, 10.79603, "Meta"} -> 
    {{75930, 65833, 88481}, {"", ""}}, {262.1177, 10.825701, "Meta"} -> 
    {{61156, 54998, 51113}, {"", ""}}, {343.2721, 10.835971, "Meta"} -> 
    {{237222, 182491, 233833}, {"Dodecanoylcarnitine [ C19 H37 N O4, \
db=97.12, overall=48.56, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {227.1882, 10.834806, "Meta"} -> {{426666, 408350, 341431}, {"", ""}}, 
   {281.1964, 10.834471, "Meta"} -> {{200321, 195494, 152802}, {"", ""}}, 
   {589.4036, 10.839125, "Meta"} -> {{103331, 106964, 131271}, {"", ""}}, 
   {316.1647, 10.838167, "Meta"} -> {{81987, 46843, 39505}, 
     {"Gibberellin A9 [ C19 H24 O4, db=60.62, overall=30.31, Lipid \
ID=LMPR01040080, KEGG ID=C11863 ]", ""}}, {594.3588, 10.837862, "Meta"} -> 
    {{158771, 1, 1}, {"", ""}}, {346.1531, 10.850415, "Meta"} -> 
    {{35229, 26234, 50028}, {"", ""}}, {360.1682, 10.850501, "Meta"} -> 
    {{54540, 46166, 62880}, {"", ""}}, {328.142, 10.851166, "Meta"} -> 
    {{225390, 188618, 293424}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=71.54, overall=35.77 ]", ""}}, 
   {298.1327, 10.851243, "Meta"} -> {{63419, 58636, 53927}, {"", ""}}, 
   {355.272, 10.84606, "Meta"} -> {{195796, 144441, 170940}, {"", ""}}, 
   {383.288, 10.873963, "Meta"} -> {{65672, 1, 67876}, {"", ""}}, 
   {388.2436, 10.871462, "Meta"} -> {{1, 1, 1}, 
     {"Thr Ile Arg [ C16 H32 N6 O5, db=61.43, overall=30.71 ]", ""}}, 
   {284.1808, 10.88514, "Meta"} -> {{44185, 51356, 44253}, {"", ""}}, 
   {301.2077, 10.885583, "Meta"} -> {{1371568, 1355792, 1364448}, {"", ""}}, 
   {276.1936, 10.92211, "Meta"} -> {{176789, 160500, 169341}, {"", ""}}, 
   {342.3243, 10.933499, "Meta"} -> {{1, 1, 39358}, {"", ""}}, 
   {242.1516, 10.939269, "Meta"} -> {{124631, 120442, 110085}, {"", ""}}, 
   {400.163, 10.940041, "Meta"} -> {{18995, 21263, 22689}, 
     {"N-AcetylCilastatin [ C18 H28 N2 O6 S, db=61.45, overall=30.73, KEGG \
ID=, CAS ID=94388-32-6 ]", "94388-32-6"}}, {287.2463, 10.968501, "Meta"} -> 
    {{91409, 90831, 88467}, {"", ""}}, {498.3417, 10.976148, "Meta"} -> 
    {{73227, 72013, 1}, {"", ""}}, {381.2882, 10.990801, "Meta"} -> 
    {{1, 18674, 1}, {"5,6-DiHETrE-EA [ C22 H39 N O4, db=62.62, overall=31.31, \
Lipid ID=LMFA08040029, KEGG ID= ]", ""}}, {431.2308, 10.993176, "Meta"} -> 
    {{75502, 34794, 51848}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=63.44, overall=31.72 ]", ""}}, 
   {414.2039, 10.993806, "Meta"} -> {{448984, 202365, 273339}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=75.35, overall=37.67 ]", ""}}, 
   {616.403, 10.994139, "Meta"} -> {{156764, 159584, 150161}, {"", ""}}, 
   {633.4297, 10.99538, "Meta"} -> {{89310, 93580, 97932}, {"", ""}}, 
   {285.9721, 10.995276, "Meta"} -> {{141034, 54095, 263376}, {"", ""}}, 
   {249.1109, 11.002543, "Meta"} -> {{59536, 64540, 93934}, {"", ""}}, 
   {440.2017, 10.997424, "Meta"} -> {{34412, 24569, 30693}, 
     {"Phe Gln Phe [ C23 H28 N4 O5, db=38.67, overall=19.34 ]", ""}}, 
   {276.1334, 11.004139, "Meta"} -> {{11942, 40145, 36493}, 
     {"Saccharopine [ C11 H20 N2 O6, db=56.45, overall=28.23, KEGG ID=, CAS \
ID=997-68-2 ]", "997-68-2"}}, {465.3087, 11.014788, "Meta"} -> 
    {{23895, 20690, 15278}, {"Cholylglycine [ C26 H43 N O6, db=75.71, \
overall=37.85, KEGG ID=, CAS ID=475-31-0 ]", "475-31-0"}}, 
   {236.1403, 11.007713, "Meta"} -> {{63958, 67652, 72795}, {"", ""}}, 
   {345.2335, 11.036324, "Meta"} -> {{84365, 98501, 98910}, {"", ""}}, 
   {410.2874, 11.06508, "Meta"} -> {{87532, 100448, 103073}, {"", ""}}, 
   {402.2185, 11.074946, "Meta"} -> {{22836, 22324, 25645}, 
     {"Trandolaprilat [ C22 H30 N2 O5, db=47.66, overall=23.83, KEGG ID=, CAS \
ID=87679-71-8 ]", "87679-71-8"}}, {276.0972, 11.078914, "Meta"} -> 
    {{1, 29706, 23191}, 
     {"Glu Glu [ C10 H16 N2 O7, db=71.47, overall=35.73 ]", ""}}, 
   {331.2721, 11.109583, "Meta"} -> {{85836, 90630, 92711}, {"", ""}}, 
   {402.1563, 11.114313, "Meta"} -> {{143667, 57455, 26705}, {"", ""}}, 
   {321.215, 11.114806, "Meta"} -> {{1566773, 696924, 370678}, {"", ""}}, 
   {304.1884, 11.114723, "Meta"} -> {{4903863, 1993863, 965348}, {"", ""}}, 
   {224.0838, 11.132531, "Meta"} -> {{31160, 32299, 35314}, {"", ""}}, 
   {278.0912, 11.133195, "Meta"} -> {{37140, 38651, 45300}, 
     {"Glu Met [ C10 H18 N2 O5 S, db=50.61, overall=25.31 ]", ""}}, 
   {327.223, 11.149416, "Meta"} -> {{130797, 134985, 147977}, 
     {"Levonorgestrel oxime [ C21 H29 N O2, db=60.97, overall=30.49, KEGG \
ID=, CAS ID=53016-31-2 ]", "53016-31-2"}}, {172.1474, 11.181901, "Meta"} -> 
    {{82624, 88047, 84427}, {"3-methyl-nonanoic acid [ C10 H20 O2, db=48.71, \
overall=24.36, Lipid ID=, KEGG ID= ]", ""}}, {238.1544, 11.197818, "Meta"} -> 
    {{171365, 145358, 1}, {"", ""}}, {265.0592, 11.2015, "Meta"} -> 
    {{222173, 82093, 201319}, {"", ""}}, {256.1671, 11.202999, "Meta"} -> 
    {{161101, 143341, 149567}, {"", ""}}, {331.272, 11.201206, "Meta"} -> 
    {{1, 46256, 33563}, {"", ""}}, {202.1566, 11.219847, "Meta"} -> 
    {{85390, 70115, 68720}, {"10-hydroxy-undecanoic acid [ C11 H22 O3, \
db=57.60, overall=28.80, Lipid ID=, KEGG ID= ]", ""}}, 
   {357.2877, 11.224555, "Meta"} -> {{236543, 217457, 230043}, {"", ""}}, 
   {287.2463, 11.230424, "Meta"} -> {{58623, 54098, 19152}, {"", ""}}, 
   {286.196, 11.254839, "Meta"} -> {{19728, 22252, 1}, 
     {"Androstenedione [ C19 H26 O2, db=51.24, overall=25.62, KEGG ID=C00280, \
CAS ID=63-05-8 ]", "63-05-8"}}, {306.1806, 11.240032, "Meta"} -> 
    {{50892, 46456, 40292}, {"Tetranor Iloprost [ C18 H26 O4, db=57.37, \
overall=28.69, KEGG ID=, CAS ID=93220-69-0 ]", "93220-69-0"}}, 
   {303.223, 11.255501, "Meta"} -> {{284385, 259831, 242028}, {"", ""}}, 
   {288.1332, 11.251001, "Meta"} -> {{69751, 50627, 43867}, 
     {"4-Methylumbelliferyl heptanoate [ C17 H20 O4, db=40.76, overall=20.38, \
KEGG ID=, CAS ID=18319-92-1 ]", "18319-92-1"}}, 
   {248.1406, 11.251324, "Meta"} -> {{20577, 21245, 1}, 
     {"2,4-Pentadienoic acid, \
3-methyl-5-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)- [ C15 H20 O3, db=58.71, \
overall=29.36, KEGG ID=, CAS ID=126624-24-6 ]", "126624-24-6"}}, 
   {358.2326, 11.257731, "Meta"} -> {{51434, 1, 58526}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=70.59, overall=35.30 ]", ""}}, 
   {717.4275, 11.272499, "Meta"} -> {{54993, 68492, 90161}, {"", ""}}, 
   {587.1718, 11.289588, "Meta"} -> {{19870, 20399, 18319}, {"", ""}}, 
   {294.1107, 11.290332, "Meta"} -> {{33577, 31461, 32563}, {"", ""}}, 
   {1280.5605, 11.288729, "Meta"} -> {{12140, 16394, 26811}, {"", ""}}, 
   {452.1514, 11.289388, "Meta"} -> {{69049, 59686, 79961}, {"", ""}}, 
   {586.2752, 11.289446, "Meta"} -> {{115892, 148015, 203019}, {"", ""}}, 
   {527.1393, 11.289233, "Meta"} -> {{101944, 96437, 94217}, {"", ""}}, 
   {496.1945, 11.289706, "Meta"} -> {{29660, 26367, 29476}, 
     {"Trp Glu Tyr [ C25 H28 N4 O7, db=59.40, overall=29.70 ]", ""}}, 
   {845.4351, 11.289027, "Meta"} -> {{218355, 267136, 397088}, {"", ""}}, 
   {530.1451, 11.290032, "Meta"} -> {{52412, 54978, 54405}, 
     {"Ketoconazole [ C26 H28 Cl2 N4 O4, db=59.08, overall=29.54, KEGG \
ID=C07061, CAS ID=65277-42-1 ]", "65277-42-1"}}, 
   {531.2824, 11.290118, "Meta"} -> {{21066, 35370, 38732}, {"", ""}}, 
   {866.3558, 11.289026, "Meta"} -> {{68540, 68205, 86966}, {"", ""}}, 
   {876.3872, 11.289584, "Meta"} -> {{37612, 42573, 47570}, {"", ""}}, 
   {608.2851, 11.289752, "Meta"} -> {{21349, 22815, 26522}, 
     {" [ C34 H42 N O9, db=0.00, overall=41.18, mfg=82.37 ]", ""}}, 
   {445.2463, 11.290056, "Meta"} -> {{116157, 119588, 158926}, {"", ""}}, 
   {534.248, 11.289888, "Meta"} -> {{866258, 1011873, 1254039}, {"", ""}}, 
   {512.1748, 11.289804, "Meta"} -> {{224888, 253414, 271336}, {"", ""}}, 
   {485.2606, 11.290346, "Meta"} -> {{60920, 42355, 1}, {"", ""}}, 
   {414.2037, 11.289584, "Meta"} -> {{1.04*^7, 1.12*^7, 1.31*^7}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=82.04, overall=41.02 ]", ""}}, 
   {280.131, 11.2896385, "Meta"} -> {{81271, 89607, 109634}, 
     {"Betaxolol(deaminated) [ C15 H20 O5, db=93.07, overall=46.54, KEGG ID=, \
CAS ID=87549-34-6 ]", "87549-34-6"}}, {431.2309, 11.289611, "Meta"} -> 
    {{3208736, 3508659, 4350902}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=83.76, overall=41.88 ]", ""}}, 
   {487.292, 11.2910595, "Meta"} -> {{37655, 34147, 1}, {"", ""}}, 
   {544.1991, 11.289091, "Meta"} -> {{23286, 25934, 33571}, {"", ""}}, 
   {471.2445, 11.291112, "Meta"} -> {{1, 32161, 39923}, {"", ""}}, 
   {459.2618, 11.289667, "Meta"} -> {{361598, 556370, 584934}, 
     {"Arg Val Trp [ C22 H33 N7 O4, db=83.80, overall=41.90 ]", ""}}, 
   {457.2271, 11.291111, "Meta"} -> {{97766, 87095, 100674}, {"", ""}}, 
   {493.246, 11.289943, "Meta"} -> {{24446, 27013, 33456}, 
     {"Epothilone A [ C26 H39 N O6 S, db=62.97, overall=31.48, Lipid \
ID=LMPK01000045, KEGG ID=C12153 ]", ""}}, {560.2447, 11.289834, "Meta"} -> 
    {{35915, 36573, 40330}, {"Chloramphenicol palmitate [ C27 H42 Cl2 N2 O6, \
db=50.93, overall=25.46, KEGG ID=C11726, CAS ID=530-43-8 ]", "530-43-8"}}, 
   {473.2773, 11.28986, "Meta"} -> {{66264, 96831, 147967}, 
     {"Leu Trp Arg [ C23 H35 N7 O4, db=65.72, overall=32.86 ]", ""}}, 
   {480.1932, 11.290501, "Meta"} -> {{57093, 42944, 27933}, {"", ""}}, 
   {440.2009, 11.290919, "Meta"} -> {{171123, 143373, 132689}, 
     {"punaglandin 8 [ C23 H33 Cl O6, db=31.94, overall=15.97, Lipid \
ID=LMFA03120045, KEGG ID= ]", ""}}, {749.4477, 11.296001, "Meta"} -> 
    {{16354, 18083, 21388}, {"", ""}}, {455.3245, 11.3231, "Meta"} -> 
    {{75248, 55546, 66797}, {"", ""}}, {369.2876, 11.339501, "Meta"} -> 
    {{265542, 195909, 236848}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, \
db=97.62, overall=48.81, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {226.1929, 11.347332, "Meta"} -> {{99844, 139035, 76778}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=85.58, overall=42.79, \
KEGG ID=, CAS ID= ]", ""}}, {336.1572, 11.353258, "Meta"} -> 
    {{90797, 119011, 118596}, {"", ""}}, {243.2196, 11.351666, "Meta"} -> 
    {{30245, 39468, 42119}, {"2-amino-tetradecanoic acid [ C14 H29 N O2, \
db=77.47, overall=38.74, Lipid ID=, KEGG ID= ]", ""}}, 
   {256.1672, 11.371285, "Meta"} -> {{165259, 143266, 140581}, {"", ""}}, 
   {285.1361, 11.375806, "Meta"} -> {{154369, 35207, 138007}, 
     {"Morphine [ C17 H19 N O3, db=95.72, overall=47.86, KEGG ID=C01516, CAS \
ID=57-27-2 ]", "57-27-2"}}, {282.1465, 11.395613, "Meta"} -> 
    {{74919, 71931, 81707}, {"Artemisinin [ C15 H22 O5, db=88.47, \
overall=44.23, KEGG ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {208.1094, 11.39564, "Meta"} -> {{118024, 114245, 113340}, 
     {"1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo- [ C12 H16 O3, \
db=81.98, overall=40.99, KEGG ID=, CAS ID=28043-09-6 ]", "28043-09-6"}}, 
   {250.1206, 11.395556, "Meta"} -> {{864546, 857373, 857598}, 
     {"Ubiquinone [ C14 H18 O4, db=99.59, overall=49.80, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {366.1019, 11.395695, "Meta"} -> 
    {{143884, 121583, 123876}, 
     {"Cys Asn Met [ C12 H22 N4 O5 S2, db=72.32, overall=36.16 ]", ""}}, 
   {381.0665, 11.395805, "Meta"} -> {{51275, 40900, 32598}, {"", ""}}, 
   {268.131, 11.395668, "Meta"} -> {{1521379, 1426066, 1327647}, {"", ""}}, 
   {842.34, 11.395239, "Meta"} -> {{8052, 1, 1}, {"", ""}}, 
   {589.1759, 11.39528, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {384.0751, 11.395806, "Meta"} -> {{36562, 29275, 27378}, {"", ""}}, 
   {649.2068, 11.395183, "Meta"} -> {{13770, 9975, 1}, {"", ""}}, 
   {504.2696, 11.396668, "Meta"} -> {{41746, 29847, 25948}, {"", ""}}, 
   {312.0943, 11.396322, "Meta"} -> {{1, 17705, 1}, {"", ""}}, 
   {575.2477, 11.396999, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {328.1616, 11.3960285, "Meta"} -> {{58713, 54785, 52013}, 
     {"Methotrimeprazine [ C19 H24 N2 O S, db=76.92, overall=38.46, KEGG \
ID=C07192, CAS ID=60-99-1 ]", "60-99-1"}}, {441.1043, 11.396527, "Meta"} -> 
    {{43690, 37949, 28727}, {"", ""}}, {398.1249, 11.39558, "Meta"} -> 
    {{16237, 1, 15415}, 
     {"Cys Tyr Asn [ C16 H22 N4 O6 S, db=64.30, overall=32.15 ]", ""}}, 
   {410.1626, 11.397676, "Meta"} -> {{27255, 28411, 27367}, 
     {"Phe Asn Met [ C18 H26 N4 O5 S, db=72.68, overall=36.34 ]", ""}}, 
   {426.1383, 11.396766, "Meta"} -> {{101832, 122588, 116485}, 
     {"Mometasone [ C22 H28 Cl2 O4, db=54.85, overall=27.42, KEGG ID=C07816, \
CAS ID=105102-22-5 ]", "105102-22-5"}}, {136.1248, 11.399722, "Meta"} -> 
    {{43027, 50218, 56732}, {"(+)-Limonene [ C10 H16, db=85.33, \
overall=42.67, Lipid ID=LMPR01020041, KEGG ID=C06099 ]", ""}}, 
   {266.115, 11.397911, "Meta"} -> {{17714, 20304, 24042}, {"", ""}}, 
   {214.1567, 11.399723, "Meta"} -> {{808010, 750334, 791142}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=86.76, overall=43.38, \
Lipid ID=, KEGG ID= ]", ""}}, {274.189, 11.399056, "Meta"} -> 
    {{97052, 109424, 93319}, {"", ""}}, {312.1249, 11.399559, "Meta"} -> 
    {{26858, 29548, 1}, {"", ""}}, {154.1354, 11.39986, "Meta"} -> 
    {{95118, 94929, 104039}, {"Linalool [ C10 H18 O, db=84.18, overall=42.09, \
Lipid ID=LMPR01020038, KEGG ID=C03985 ]", ""}}, 
   {647.4454, 11.415207, "Meta"} -> {{106595, 118382, 144774}, {"", ""}}, 
   {196.1447, 11.415208, "Meta"} -> {{39176, 26502, 1}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=61.34, overall=30.67, Lipid ID=, \
KEGG ID= ]", ""}}, {397.3034, 11.419818, "Meta"} -> 
    {{89051, 89122, 89588}, {"", ""}}, {518.121, 11.434154, "Meta"} -> 
    {{21870, 1, 15879}, {"", ""}}, {336.157, 11.451531, "Meta"} -> 
    {{75302, 89116, 90002}, {"", ""}}, {246.1829, 11.451807, "Meta"} -> 
    {{359085, 159069, 311082}, {"", ""}}, {241.2038, 11.455589, "Meta"} -> 
    {{34915, 37609, 1}, {"", ""}}, {478.2178, 11.45214, "Meta"} -> 
    {{54498, 50278, 45995}, {"Formestane-4-O-glucuronide [ C25 H34 O9, \
db=82.02, overall=41.01, KEGG ID=, CAS ID=102848-54-4 ]", "102848-54-4"}}, 
   {210.1249, 11.457354, "Meta"} -> {{59009, 48485, 52254}, 
     {"Jasmonic acid [ C12 H18 O3, db=81.52, overall=40.76, Lipid \
ID=LMFA02020001, KEGG ID= ]", ""}}, {342.2878, 11.461249, "Meta"} -> 
    {{28673, 22674, 41380}, {"", ""}}, {367.1506, 11.475408, "Meta"} -> 
    {{28584, 20130, 1}, 
     {"Asp His Pro [ C15 H21 N5 O6, db=71.89, overall=35.95 ]", ""}}, 
   {285.1362, 11.475694, "Meta"} -> {{303963, 288689, 290452}, 
     {"Morphine [ C17 H19 N O3, db=98.62, overall=49.31, KEGG ID=C01516, CAS \
ID=57-27-2 ]", "57-27-2"}}, {528.1969, 11.478286, "Meta"} -> 
    {{55092, 43315, 47525}, {"", ""}}, {460.2096, 11.476846, "Meta"} -> 
    {{35184, 27582, 28014}, 
     {"Trp Gln Gln [ C21 H28 N6 O6, db=60.46, overall=30.23 ]", ""}}, 
   {311.2457, 11.484715, "Meta"} -> {{340017, 318784, 289745}, {"", ""}}, 
   {347.2489, 11.499638, "Meta"} -> {{47347, 34677, 34965}, {"", ""}}, 
   {356.2318, 11.490559, "Meta"} -> {{18868, 20998, 1}, 
     {"Estradiol valerate [ C23 H32 O3, db=40.90, overall=20.45, Lipid \
ID=LMST02010039, KEGG ID=C12859 ]", ""}}, {344.1596, 11.518447, "Meta"} -> 
    {{1, 136581, 77352}, {"16-Hydroxy-4-carboxyretinoic acid [ C20 H24 O5, \
db=62.38, overall=31.19, KEGG ID=, CAS ID=99665-36-8 ]", "99665-36-8"}}, 
   {414.204, 11.526778, "Meta"} -> {{239651, 112139, 154455}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=76.96, overall=38.48 ]", ""}}, 
   {413.2931, 11.527801, "Meta"} -> {{31318, 31362, 34504}, {"", ""}}, 
   {449.3137, 11.528334, "Meta"} -> {{84741, 81751, 76835}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=91.01, overall=45.51, HMP \
ID=HMDB00708, KEGG ID= ]", ""}}, {431.3032, 11.527909, "Meta"} -> 
    {{84907, 88679, 81687}, {"", ""}}, {250.1557, 11.546168, "Meta"} -> 
    {{32473, 1, 33883}, {"Gemfibrozil [ C15 H22 O3, db=55.73, overall=27.87, \
KEGG ID=, CAS ID=25812-30-0 ]", "25812-30-0"}}, 
   {632.2483, 11.548585, "Meta"} -> {{507302, 960219, 784939}, {"", ""}}, 
   {441.3298, 11.567675, "Meta"} -> {{104970, 112779, 132398}, {"", ""}}, 
   {424.3029, 11.567376, "Meta"} -> {{178631, 158675, 162851}, 
     {"2alpha-Fluoro-19-nor-22-oxa-1alpha,25-dihydroxyvitamin D3 [ C25 H41 F \
O4, db=58.90, overall=29.45, Lipid ID=LMST03020616, KEGG ID= ]", ""}}, 
   {488.2383, 11.5761385, "Meta"} -> {{31273, 29534, 26800}, {"", ""}}, 
   {329.2389, 11.608471, "Meta"} -> {{802440, 820672, 771607}, {"", ""}}, 
   {280.165, 11.619699, "Meta"} -> {{141325, 165647, 134930}, {"", ""}}, 
   {386.1862, 11.624001, "Meta"} -> {{29261, 24685, 29212}, {"", ""}}, 
   {386.2455, 11.630222, "Meta"} -> {{171007, 150908, 145845}, 
     {"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid [ C24 H34 O4, \
db=85.79, overall=42.90, Lipid ID=, KEGG ID= ]", ""}}, 
   {598.2424, 11.630831, "Meta"} -> {{66444, 45975, 77640}, {"", ""}}, 
   {735.4978, 11.632807, "Meta"} -> {{87023, 87141, 117374}, 
     {"Dipalmitoylphosphatidylserine [ C38 H74 N O10 P, db=54.29, \
overall=27.15, HMP ID=HMDB00614, KEGG ID= ]", ""}}, 
   {370.3555, 11.634998, "Meta"} -> {{39073, 54665, 45018}, {"", ""}}, 
   {468.2595, 11.6322565, "Meta"} -> {{48580, 43637, 39651}, {"", ""}}, 
   {740.4531, 11.631467, "Meta"} -> {{125084, 1, 103653}, {"", ""}}, 
   {477.1897, 11.660638, "Meta"} -> {{757095, 163348, 876435}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=85.23, overall=42.62, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {582.2477, 11.661, "Meta"} -> 
    {{23859, 27057, 33085}, {"Biliverdin IX [ C33 H34 N4 O6, db=87.31, \
overall=43.66, HMP ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", 
      " 114-25-0"}}, {354.2379, 11.661621, "Meta"} -> 
    {{31339, 1, 30262}, {"13,14-dihydro-15-keto-PGF2alpha [ C20 H34 O5, \
db=42.26, overall=21.13, Lipid ID=LMFA03010027, KEGG ID= ]", ""}}, 
   {520.2644, 11.689971, "Meta"} -> {{48698, 39336, 38220}, 
     {"Medroxyprogesterone glucuronide [ C28 H40 O9, db=48.42, overall=24.21, \
KEGG ID=, CAS ID= ]", ""}}, {485.356, 11.693, "Meta"} -> 
    {{98403, 105655, 131307}, {"", ""}}, {240.1703, 11.670438, "Meta"} -> 
    {{80941, 72905, 58351}, {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic \
acid [ C14 H24 O3, db=65.39, overall=32.69, Lipid ID=, KEGG ID= ]", ""}}, 
   {439.2696, 11.698639, "Meta"} -> {{93161, 52400, 119188}, 
     {"GPA(17:1(9Z)/0:0) [ C20 H42 N O7 P, db=58.14, overall=29.07, Lipid \
ID=LMGP10050002, KEGG ID= ]", ""}}, {414.2039, 11.722752, "Meta"} -> 
    {{54395, 218607, 368284}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=70.02, overall=35.01 ]", ""}}, 
   {522.2801, 11.738907, "Meta"} -> {{45162, 38826, 38328}, {"", ""}}, 
   {262.1541, 11.742794, "Meta"} -> {{33644, 25105, 25694}, {"", ""}}, 
   {272.2133, 11.744, "Meta"} -> {{55737, 51747, 39905}, {"", ""}}, 
   {588.2251, 11.747442, "Meta"} -> {{28654, 40263, 25756}, {"", ""}}, 
   {528.1907, 11.747131, "Meta"} -> {{1, 21346, 17454}, {"", ""}}, 
   {371.3033, 11.768027, "Meta"} -> {{261159, 194270, 194532}, {"", ""}}, 
   {590.3101, 11.752577, "Meta"} -> {{41011, 54193, 52716}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=61.46, overall=30.73, HMP \
ID=HMDB04158, KEGG ID= ]", ""}}, {417.1435, 11.795814, "Meta"} -> 
    {{15604, 16725, 1}, {"Mefenamic acid Metabolite (b-D-Glucopyranuronic \
acid, 1-[2-[(2,3-dimethylphenyl)amino]benzoate]) [ C21 H23 N O8, db=50.07, \
overall=25.03, KEGG ID=, CAS ID=102623-18-7 ]", "102623-18-7"}}, 
   {282.1151, 11.797542, "Meta"} -> {{52416, 48728, 49215}, {"", ""}}, 
   {342.145, 11.797485, "Meta"} -> {{41564, 43977, 36086}, {"", ""}}, 
   {184.146, 11.798257, "Meta"} -> {{161247, 154715, 133924}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=82.08, overall=41.04, Lipid ID=, \
KEGG ID= ]", ""}}, {373.2647, 11.811193, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {299.2823, 11.815419, "Meta"} -> {{102725, 106485, 98264}, 
     {"3-Dehydrosphinganine [ C18 H37 N O2, db=94.66, overall=47.33, KEGG \
ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {251.2249, 11.800002, "Meta"} -> {{116018, 103726, 112404}, {"", ""}}, 
   {534.3375, 11.806134, "Meta"} -> {{92753, 102412, 87499}, {"", ""}}, 
   {465.3086, 11.805584, "Meta"} -> {{541759, 512737, 504360}, 
     {"Cholylglycine [ C26 H43 N O6, db=97.59, overall=48.80, KEGG ID=, CAS \
ID=475-31-0 ]", "475-31-0"}}, {429.2878, 11.80568, "Meta"} -> 
    {{17487, 19435, 24937}, {"", ""}}, {529.3823, 11.806334, "Meta"} -> 
    {{82533, 86177, 124082}, {"", ""}}, {518.2228, 11.805154, "Meta"} -> 
    {{19071, 15648, 1}, {"26,26,26,27,27,27-hexafluoro-1alpha,25-dihydroxy-16\
,17,23,23,24,24-hexadehydrovitamin D3 / 26,26,26, [ C27 H32 F6 O3, db=61.57, \
overall=30.78, Lipid ID=LMST03020078, KEGG ID= ]", ""}}, 
   {585.3523, 11.805889, "Meta"} -> {{12137, 12445, 1}, {"", ""}}, 
   {521.2284, 11.805668, "Meta"} -> {{18526, 17717, 1}, {"", ""}}, 
   {414.204, 11.809854, "Meta"} -> {{589037, 158869, 202886}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=78.79, overall=39.40 ]", ""}}, 
   {431.2309, 11.812069, "Meta"} -> {{90789, 52521, 98811}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=56.36, overall=28.18 ]", ""}}, 
   {218.1664, 11.82626, "Meta"} -> {{47950, 45611, 31440}, 
     {"6,8,10,12-pentadecatetraenal [ C15 H22 O, db=57.54, overall=28.77, \
Lipid ID=, KEGG ID= ]", ""}}, {270.1153, 11.829969, "Meta"} -> 
    {{74578, 60946, 57421}, {"chloroprocaine [ C13 H19 Cl N2 O2, db=55.52, \
overall=27.76, KEGG ID=, CAS ID= ]", ""}}, {330.1401, 11.829573, "Meta"} -> 
    {{68379, 81359, 58402}, {"Desmethyl methotrimeprazine 5-sulfoxide [ C18 \
H22 N2 O2 S, db=85.40, overall=42.70, KEGG ID=, CAS ID=16808-77-8 ]", 
      "16808-77-8"}}, {172.146, 11.8296385, "Meta"} -> 
    {{148304, 177041, 115770}, {"3-methyl-nonanoic acid [ C10 H20 O2, \
db=89.90, overall=44.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {186.1616, 11.829715, "Meta"} -> {{92472, 85547, 88347}, 
     {"Undecylic acid [ C11 H22 O2, db=83.39, overall=41.70, KEGG ID=, CAS \
ID= ]", ""}}, {431.3031, 11.831061, "Meta"} -> {{58427, 51858, 63061}, 
     {"", ""}}, {471.2956, 11.832395, "Meta"} -> {{29244, 40638, 31377}, 
     {"", ""}}, {308.1988, 11.834726, "Meta"} -> {{59043, 35352, 60997}, 
     {"", ""}}, {355.2544, 11.8503895, "Meta"} -> {{241454, 242750, 229606}, 
     {"", ""}}, {346.1188, 11.835636, "Meta"} -> 
    {{39448, 1, 1}, {"Nifedipine [ C17 H18 N2 O6, db=50.63, overall=25.31, \
KEGG ID=C07266, CAS ID=21829-25-4 ]", "21829-25-4"}}, 
   {276.1724, 11.846942, "Meta"} -> {{302561, 124107, 167637}, 
     {"cyclandelate [ C17 H24 O3, db=63.51, overall=31.75, KEGG ID=, CAS \
ID=456-59-7 ]", "456-59-7"}}, {369.197, 11.842227, "Meta"} -> 
    {{1, 28654, 24826}, {"", ""}}, {588.2903, 11.855272, "Meta"} -> 
    {{43346, 45660, 17906}, {"", ""}}, {330.1805, 11.858284, "Meta"} -> 
    {{775539, 313357, 312760}, {"16-Hydroxy-4-oxoretinoic acid [ C20 H26 O4, \
db=78.37, overall=39.19, KEGG ID=, CAS ID=107257-23-8 ]", "107257-23-8"}}, 
   {252.1358, 11.86086, "Meta"} -> {{129064, 54830, 95753}, {"", ""}}, 
   {290.1884, 11.862444, "Meta"} -> {{386091, 156424, 204198}, 
     {"8-hydroxy-17-octadecene-9,11-diynoic acid [ C18 H26 O3, db=62.31, \
overall=31.16, Lipid ID=, KEGG ID= ]", ""}}, {351.2187, 11.864862, "Meta"} -> 
    {{154080, 1, 140114}, {"", ""}}, {592.3258, 11.793964, "Meta"} -> 
    {{56079, 55612, 48415}, {"", ""}}, {309.2302, 11.861514, "Meta"} -> 
    {{436400, 98214, 304845}, {"", ""}}, {447.2981, 11.879917, "Meta"} -> 
    {{404774, 369209, 397712}, {"", ""}}, {511.3273, 11.884157, "Meta"} -> 
    {{403945, 139194, 325780}, {"", ""}}, {280.1649, 11.8923235, "Meta"} -> 
    {{59924, 61967, 39917}, {"", ""}}, {705.4871, 11.893938, "Meta"} -> 
    {{96887, 113388, 157250}, {"", ""}}, {291.2176, 11.896868, "Meta"} -> 
    {{257717, 1, 284855}, {"Penbutolol [ C18 H29 N O2, db=57.95, \
overall=28.98, KEGG ID=C07416, CAS ID=38363-40-5 ]", "38363-40-5"}}, 
   {688.4606, 11.89371, "Meta"} -> {{172053, 176024, 130199}, {"", ""}}, 
   {267.2197, 11.913969, "Meta"} -> {{659253, 582047, 609928}, {"", ""}}, 
   {394.2926, 11.915362, "Meta"} -> {{179149, 195315, 162361}, {"", ""}}, 
   {251.2248, 11.917944, "Meta"} -> {{279045, 251615, 276037}, {"", ""}}, 
   {411.3194, 11.915528, "Meta"} -> {{89122, 97595, 140650}, {"", ""}}, 
   {256.219, 11.924389, "Meta"} -> {{66931, 73073, 72007}, {"", ""}}, 
   {610.2709, 11.924807, "Meta"} -> {{30179, 22870, 23087}, {"", ""}}, 
   {534.281, 11.92525, "Meta"} -> {{76873, 67050, 67085}, {"", ""}}, 
   {451.3145, 11.934751, "Meta"} -> {{23390, 26701, 33511}, {"", ""}}, 
   {224.1408, 11.931854, "Meta"} -> {{32975, 1, 1}, 
     {"Methyl jasmonate [ C13 H20 O3, db=49.28, overall=24.64, KEGG \
ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {456.2698, 11.934423, "Meta"} -> {{63602, 1, 42686}, {"", ""}}, 
   {572.3308, 11.924665, "Meta"} -> {{16061, 15371, 15458}, {"", ""}}, 
   {428.2149, 11.942999, "Meta"} -> {{43613, 31790, 1}, {"", ""}}, 
   {315.2772, 11.940305, "Meta"} -> {{1547620, 1383400, 1464176}, {"", ""}}, 
   {413.2462, 11.94091, "Meta"} -> {{81382, 74096, 42300}, {"", ""}}, 
   {297.2667, 11.941416, "Meta"} -> {{125310, 117548, 119742}, 
     {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ C18 H35 N O2, db=86.94, \
overall=43.47, KEGG ID=, CAS ID= ]", ""}}, {341.2728, 11.941767, "Meta"} -> 
    {{27085, 25277, 1}, {"", ""}}, {314.0917, 11.9444475, "Meta"} -> 
    {{257137, 1, 1}, {"", ""}}, {261.1217, 11.955101, "Meta"} -> 
    {{195481, 142686, 79086}, {"", ""}}, {379.2542, 11.973425, "Meta"} -> 
    {{34044, 46102, 48823}, {"", ""}}, {594.3415, 11.96689, "Meta"} -> 
    {{162626, 150223, 129056}, {"L-Urobilin [ C33 H46 N4 O6, db=74.87, \
overall=37.44, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {255.2196, 11.968827, "Meta"} -> {{58632, 53649, 55956}, {"", ""}}, 
   {414.2043, 11.974148, "Meta"} -> {{1, 29936, 61006}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=62.51, overall=31.26 ]", ""}}, 
   {312.2301, 11.973156, "Meta"} -> {{88847, 95384, 79399}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=65.73, \
overall=32.86, Lipid ID=, KEGG ID= ]", ""}}, {328.2254, 11.979709, "Meta"} -> 
    {{85498, 89235, 145477}, {"9,12,13-trihydroxy-10,15-octadecadienoic acid \
[ C18 H32 O5, db=55.40, overall=27.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {196.1461, 11.97807, "Meta"} -> {{33515, 15219, 1}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=60.16, overall=30.08, Lipid ID=, \
KEGG ID= ]", ""}}, {754.4684, 11.973702, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {749.5135, 11.97703, "Meta"} -> {{99249, 105359, 142933}, {"", ""}}, 
   {324.1915, 11.994925, "Meta"} -> {{46049, 1, 35254}, 
     {"12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid [ C18 H28 O5, \
db=57.41, overall=28.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {309.23, 11.97869, "Meta"} -> {{156655, 110643, 141594}, {"", ""}}, 
   {301.1142, 11.992531, "Meta"} -> {{123866, 74548, 98082}, {"", ""}}, 
   {331.2543, 12.023166, "Meta"} -> {{351810, 293780, 332419}, {"", ""}}, 
   {455.3454, 12.01464, "Meta"} -> {{131505, 147279, 180050}, {"", ""}}, 
   {438.3189, 12.015082, "Meta"} -> {{233097, 232311, 193451}, {"", ""}}, 
   {358.2328, 12.025667, "Meta"} -> {{1037386, 1.1*^7, 73274}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=96.96, overall=48.48 ]", ""}}, 
   {311.152, 12.032904, "Meta"} -> {{25140, 1, 36582}, {"", ""}}, 
   {353.2775, 12.026425, "Meta"} -> {{846076, 1.03*^7, 71815}, {"", ""}}, 
   {385.3189, 12.040938, "Meta"} -> {{39388, 1, 39392}, {"", ""}}, 
   {397.3187, 12.041324, "Meta"} -> {{241955, 138587, 213114}, {"", ""}}, 
   {798.4948, 12.054034, "Meta"} -> {{109816, 106514, 1}, {"", ""}}, 
   {793.5397, 12.054131, "Meta"} -> {{81972, 90084, 112688}, {"", ""}}, 
   {590.3062, 12.072692, "Meta"} -> {{1, 23415, 1}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=57.10, overall=28.55, HMP \
ID=HMDB04158, KEGG ID= ]", ""}}, {326.0038, 12.075236, "Meta"} -> 
    {{293357, 293781, 729599}, {"", ""}}, {236.1403, 12.083773, "Meta"} -> 
    {{84284, 53221, 71257}, {"", ""}}, {252.1866, 12.082345, "Meta"} -> 
    {{31149, 39697, 1}, {"", ""}}, {586.209, 12.083833, "Meta"} -> 
    {{128555, 156553, 149141}, {"", ""}}, {350.155, 12.082278, "Meta"} -> 
    {{85392, 85131, 84558}, {"", ""}}, {526.1727, 12.085113, "Meta"} -> 
    {{147479, 146607, 131762}, {"", ""}}, {466.1347, 12.082086, "Meta"} -> 
    {{1, 125765, 113305}, {"", ""}}, {270.1981, 12.084306, "Meta"} -> 
    {{383684, 311445, 357196}, {"", ""}}, {412.1294, 12.085416, "Meta"} -> 
    {{132147, 117557, 110210}, {"", ""}}, {368.1654, 12.082582, "Meta"} -> 
    {{109344, 101271, 108877}, {"Testosterone sulfate [ C19 H28 O5 S, \
db=92.27, overall=46.13, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {498.1664, 12.083362, "Meta"} -> {{51990, 43583, 40335}, {"", ""}}, 
   {616.2339, 12.084806, "Meta"} -> {{85459, 75788, 82016}, {"", ""}}, 
   {243.2196, 12.102666, "Meta"} -> {{116685, 72956, 103790}, 
     {"2-amino-tetradecanoic acid [ C14 H29 N O2, db=84.12, overall=42.06, \
Lipid ID=, KEGG ID= ]", ""}}, {482.3452, 12.104295, "Meta"} -> 
    {{237192, 241187, 54641}, {"", ""}}, {234.1617, 12.111666, "Meta"} -> 
    {{104002, 61381, 74854}, {"", ""}}, {248.1769, 12.122094, "Meta"} -> 
    {{1, 62770, 88158}, {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, \
db=79.54, overall=39.77, Lipid ID=, KEGG ID= ]", ""}}, 
   {291.2195, 12.120156, "Meta"} -> {{78561, 74881, 121232}, 
     {"Penbutolol [ C18 H29 N O2, db=68.40, overall=34.20, KEGG ID=C07416, \
CAS ID=38363-40-5 ]", "38363-40-5"}}, {837.5658, 12.128968, "Meta"} -> 
    {{75693, 80510, 85016}, {"", ""}}, {342.1837, 12.136654, "Meta"} -> 
    {{16505, 18386, 15097}, {"Acitretin Ro 23-4750 [ C21 H26 O4, db=77.85, \
overall=38.93, KEGG ID=, CAS ID=121785-73-7 ]", "121785-73-7"}}, 
   {264.1359, 12.146778, "Meta"} -> {{376705, 351400, 364133}, {"", ""}}, 
   {222.1252, 12.146971, "Meta"} -> {{48675, 1, 48768}, 
     {"Hydroxyibuprofen [ C13 H18 O3, db=74.22, overall=37.11, KEGG ID=, CAS \
ID=51146-55-5 ]", "51146-55-5"}}, {296.1624, 12.147417, "Meta"} -> 
    {{65604, 72994, 69263}, {"Lactone of PGF-MUM [ C16 H24 O5, db=79.76, \
overall=39.88, KEGG ID=, CAS ID= ]", ""}}, {282.1466, 12.147778, "Meta"} -> 
    {{580610, 543543, 92877}, {"Artemisinin [ C15 H22 O5, db=99.12, \
overall=49.56, KEGG ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {341.2723, 12.151607, "Meta"} -> {{26065, 18807, 21031}, {"", ""}}, 
   {380.1164, 12.147638, "Meta"} -> {{27344, 27224, 24395}, 
     {"Cys Gln Met [ C13 H24 N4 O5 S2, db=68.35, overall=34.18 ]", ""}}, 
   {306.1804, 12.177001, "Meta"} -> {{67054, 80532, 1}, 
     {"Tetranor Iloprost [ C18 H26 O4, db=63.70, overall=31.85, KEGG ID=, CAS \
ID=93220-69-0 ]", "93220-69-0"}}, {402.1937, 12.148144, "Meta"} -> 
    {{38671, 36584, 38591}, 
     {"Pro Trp Thr [ C20 H26 N4 O5, db=72.34, overall=36.17 ]", ""}}, 
   {297.2667, 12.156, "Meta"} -> {{83363, 74589, 83643}, 
     {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ C18 H35 N O2, db=77.59, \
overall=38.79, KEGG ID=, CAS ID= ]", ""}}, {315.2772, 12.155445, "Meta"} -> 
    {{1264208, 1162067, 1136098}, {"", ""}}, {413.2455, 12.157277, "Meta"} -> 
    {{69466, 51455, 56432}, {"", ""}}, {313.2615, 12.160829, "Meta"} -> 
    {{1, 109949, 245214}, {"", ""}}, {311.1518, 12.180069, "Meta"} -> 
    {{1, 11237, 1}, {"", ""}}, {299.9847, 12.185141, "Meta"} -> 
    {{2877385, 3347796, 2667639}, {"", ""}}, 
   {318.1804, 12.2324295, "Meta"} -> {{22736, 32585, 32465}, 
     {"Ubiquinone (Q2) [ C19 H26 O4, db=42.47, overall=21.23, KEGG ID=, CAS \
ID=606-06-4 ]", "606-06-4"}}, {606.2023, 12.187666, "Meta"} -> 
    {{122473, 117725, 111903}, {"", ""}}, {462.2252, 12.1875, "Meta"} -> 
    {{488611, 476046, 489239}, {"Hydrocortisone succinate [ C25 H34 O8, \
db=96.63, overall=48.31, Lipid ID=LMST02030126, KEGG ID=C12888 ]", ""}}, 
   {525.2572, 12.187778, "Meta"} -> {{245740, 226726, 269117}, {"", ""}}, 
   {568.2631, 12.187808, "Meta"} -> {{60212, 63476, 64472}, {"", ""}}, 
   {621.1704, 12.188378, "Meta"} -> {{37773, 35387, 27937}, {"", ""}}, 
   {530.2126, 12.187939, "Meta"} -> {{1, 1, 497705}, 
     {"Trp Tyr Tyr [ C29 H30 N4 O6, db=72.13, overall=36.06 ]", ""}}, 
   {377.2329, 12.190221, "Meta"} -> {{285775, 249293, 274660}, 
     {"Val Leu Phe [ C20 H31 N3 O4, db=88.80, overall=44.40 ]", ""}}, 
   {628.2743, 12.1870985, "Meta"} -> {{27540, 27237, 28664}, {"", ""}}, 
   {420.2121, 12.200396, "Meta"} -> {{38511, 34217, 30026}, {"", ""}}, 
   {228.1723, 12.197486, "Meta"} -> {{37319, 50720, 53165}, 
     {"10-keto tridecanoic acid [ C13 H24 O3, db=61.20, overall=30.60, Lipid \
ID=LMFA01060042, KEGG ID= ]", ""}}, {372.191, 12.199401, "Meta"} -> 
    {{70453, 69096, 46349}, {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=56.89, \
overall=28.44, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {357.2698, 12.228862, "Meta"} -> {{521387, 491481, 470472}, {"", ""}}, 
   {199.1932, 12.220861, "Meta"} -> {{563503, 357010, 548319}, 
     {"dodecanamide [ C12 H25 N O, db=98.45, overall=49.22, Lipid ID=, KEGG \
ID= ]", ""}}, {259.2255, 12.222748, "Meta"} -> {{124424, 102016, 127247}, 
     {"", ""}}, {269.235, 12.2237425, "Meta"} -> {{99020, 156481, 78599}, 
     {"", ""}}, {719.5028, 12.228621, "Meta"} -> {{68334, 74467, 77536}, 
     {"", ""}}, {664.2384, 12.227905, "Meta"} -> {{28391, 51612, 42898}, 
     {"", ""}}, {248.1768, 12.233333, "Meta"} -> {{25112, 24796, 23968}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=72.21, \
overall=36.10, Lipid ID=, KEGG ID= ]", ""}}, {284.1987, 12.237692, "Meta"} -> 
    {{1, 1, 78862}, {"", ""}}, {262.1929, 12.242998, "Meta"} -> 
    {{449050, 400223, 400355}, {"5,8-heptadecadiynoic acid [ C17 H26 O2, \
db=98.55, overall=49.28, Lipid ID=, KEGG ID= ]", ""}}, 
   {533.3115, 12.239881, "Meta"} -> {{175025, 90919, 195022}, {"", ""}}, 
   {302.1855, 12.243556, "Meta"} -> {{407975, 367216, 323832}, 
     {"2-Methoxyestradiol [ C19 H26 O3, db=76.71, overall=38.36, HMP \
ID=HMDB00405, KEGG ID= ]", ""}}, {436.1856, 12.235857, "Meta"} -> 
    {{1, 91593, 180769}, {"", ""}}, {596.3558, 12.249497, "Meta"} -> 
    {{32211, 28502, 33895}, {"", ""}}, {242.188, 12.252134, "Meta"} -> 
    {{102455, 71113, 75679}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
db=63.43, overall=31.71, Lipid ID=, KEGG ID= ]", ""}}, 
   {614.3666, 12.251577, "Meta"} -> {{61965, 55107, 71643}, {"", ""}}, 
   {512.1788, 12.245139, "Meta"} -> {{47225, 26400, 36343}, 
     {"10S,11R-epoxy-punaglandin 3 [ C25 H33 Cl O9, db=53.22, overall=26.61, \
Lipid ID=LMFA03120039, KEGG ID= ]", ""}}, {376.1882, 12.266801, "Meta"} -> 
    {{84646, 87073, 89434}, 
     {"Arg Val Cys [ C14 H28 N6 O4 S, db=75.82, overall=37.91 ]", ""}}, 
   {580.2321, 12.270332, "Meta"} -> {{261905, 205595, 256319}, {"", ""}}, 
   {630.2687, 12.26936, "Meta"} -> {{199025, 136226, 145728}, {"", ""}}, 
   {612.2583, 12.2699175, "Meta"} -> {{144080, 133596, 148210}, {"", ""}}, 
   {672.2793, 12.270498, "Meta"} -> {{118037, 93400, 107233}, {"", ""}}, 
   {658.2637, 12.2717495, "Meta"} -> {{66018, 32848, 45039}, {"", ""}}, 
   {644.2843, 12.27025, "Meta"} -> {{356118, 278300, 334863}, {"", ""}}, 
   {298.2154, 12.269302, "Meta"} -> {{50011, 25410, 51725}, 
     {"8E-Heptadecenedioic acid [ C17 H30 O4, db=61.18, overall=30.59, Lipid \
ID=, KEGG ID= ]", ""}}, {336.1262, 12.278805, "Meta"} -> 
    {{28527, 29176, 19276}, {"", ""}}, {238.1567, 12.281195, "Meta"} -> 
    {{389637, 344251, 348131}, {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 \
H22 O3, db=97.15, overall=48.57, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {423.3348, 12.288555, "Meta"} -> {{892793, 723720, 895195}, {"", ""}}, 
   {311.2457, 12.286498, "Meta"} -> {{479389, 432566, 415925}, {"", ""}}, 
   {374.2429, 12.298686, "Meta"} -> {{74723, 77129, 63733}, 
     {"Digitoxigenin [ C23 H34 O4, db=53.68, overall=26.84, KEGG ID=, CAS \
ID=143-62-4 ]", "143-62-4"}}, {477.1899, 12.302515, "Meta"} -> 
    {{109553, 36692, 124616}, {"3,5-Pyridinedicarboxylic acid, \
2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino] [ C26 \
H27 N3 O6, db=59.31, overall=29.66, KEGG ID=, CAS ID=59875-58-0 ]", 
      "59875-58-0"}}, {768.4842, 12.295834, "Meta"} -> 
    {{1, 110454, 1}, {"", ""}}, {369.2874, 12.299877, "Meta"} -> 
    {{46299, 39968, 42308}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, \
db=64.19, overall=32.09, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {763.5288, 12.296454, "Meta"} -> {{79372, 87991, 101848}, {"", ""}}, 
   {314.1884, 12.299144, "Meta"} -> {{50541, 71134, 53850}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=70.86, overall=35.43, KEGG ID=, \
CAS ID=38030-57-8 ]", "38030-57-8"}}, {271.2523, 12.302779, "Meta"} -> 
    {{1, 31403, 118044}, {"2R-aminohexadecanoic acid [ C16 H33 N O2, \
db=52.07, overall=26.04, Lipid ID=, KEGG ID= ]", ""}}, 
   {625.346, 12.299999, "Meta"} -> {{185295, 177734, 306476}, 
     {"Glycochenodeoxycholic acid 3-glucuronide [ C32 H51 N O11, db=99.35, \
overall=49.68, HMP ID=HMDB02579, KEGG ID= ]", ""}}, 
   {342.1463, 12.310115, "Meta"} -> {{38835, 61994, 74956}, {"", ""}}, 
   {663.2926, 12.299033, "Meta"} -> {{34484, 27102, 24188}, {"", ""}}, 
   {372.2661, 12.3107815, "Meta"} -> {{42009, 42776, 40623}, 
     {"(22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid [ C24 H36 O3, db=66.95, \
overall=33.48, Lipid ID=, KEGG ID= ]", ""}}, {329.2566, 12.319615, "Meta"} -> 
    {{1, 26761, 37559}, {"", ""}}, {265.2404, 12.332487, "Meta"} -> 
    {{63831, 57902, 61036}, {"", ""}}, {305.2328, 12.322701, "Meta"} -> 
    {{43177, 46346, 23308}, {"", ""}}, {230.1879, 12.337853, "Meta"} -> 
    {{87801, 90055, 74637}, {"4-hydroxy-tridecanoic acid [ C13 H26 O3, \
db=63.86, overall=31.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {631.4503, 12.339085, "Meta"} -> {{115495, 107173, 126526}, {"", ""}}, 
   {312.1359, 12.347117, "Meta"} -> {{53427, 141295, 54753}, {"", ""}}, 
   {388.2607, 12.350721, "Meta"} -> {{62740, 58499, 55487}, 
     {"7,12-Dioxo-5beta-cholan-24-oic Acid [ C24 H36 O4, db=77.22, \
overall=38.61, Lipid ID=, KEGG ID= ]", ""}}, {328.2249, 12.339256, "Meta"} -> 
    {{120353, 262311, 201476}, {"9,12,13-trihydroxy-10,15-octadecadienoic \
acid [ C18 H32 O5, db=76.40, overall=38.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {425.3361, 12.35692, "Meta"} -> {{71294, 86384, 1}, {"", ""}}, 
   {408.3088, 12.36271, "Meta"} -> {{125675, 123844, 1}, {"", ""}}, 
   {281.2354, 12.3655615, "Meta"} -> {{159617, 1, 1}, {"", ""}}, 
   {360.1656, 12.382274, "Meta"} -> {{101735, 66226, 77226}, 
     {"Leu Asn Asp [ C14 H24 N4 O7, db=77.19, overall=38.60 ]", ""}}, 
   {338.2439, 12.380382, "Meta"} -> {{1, 73455, 57759}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=74.85, overall=37.42, KEGG ID=, \
CAS ID= ]", ""}}, {436.1472, 12.383839, "Meta"} -> {{1, 48370, 1}, {"", ""}}, 
   {376.1198, 12.386286, "Meta"} -> {{91707, 58749, 69651}, 
     {"Asp Asn Glu [ C13 H20 N4 O9, db=55.52, overall=27.76 ]", ""}}, 
   {278.1519, 12.387778, "Meta"} -> {{5802886, 4034774, 5338611}, {"", ""}}, 
   {148.0158, 12.3895, "Meta"} -> {{588126, 428676, 577657}, {"", ""}}, 
   {204.0784, 12.3909445, "Meta"} -> {{331765, 267721, 339100}, {"", ""}}, 
   {396.2873, 12.403235, "Meta"} -> {{18249, 36662, 115653}, 
     {"PGF2alpha isopropyl ester [ C23 H40 O5, db=87.08, overall=43.54, Lipid \
ID=LMFA03010076, KEGG ID= ]", ""}}, {276.17, 12.37928, "Meta"} -> 
    {{16789, 1, 13725}, {"cyclandelate [ C17 H24 O3, db=51.06, overall=25.53, \
KEGG ID=, CAS ID=456-59-7 ]", "456-59-7"}}, {607.326, 12.407581, "Meta"} -> 
    {{25577, 43639, 48769}, {"", ""}}, {675.4764, 12.4054, "Meta"} -> 
    {{93332, 92811, 100255}, {"", ""}}, {487.2618, 12.410424, "Meta"} -> 
    {{88991, 68611, 75814}, {"", ""}}, {562.256, 12.410714, "Meta"} -> 
    {{45347, 29090, 29975}, {"Protoporphyrin [ C34 H34 N4 O4, db=79.79, \
overall=39.90, KEGG ID=C01079, CAS ID=553-12-8 ]", "553-12-8"}}, 
   {547.2891, 12.410121, "Meta"} -> {{80220, 89932, 87120}, {"", ""}}, 
   {449.3139, 12.410828, "Meta"} -> {{1964294, 1610509, 1786986}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=99.45, overall=49.73, HMP \
ID=HMDB00708, KEGG ID= ]", ""}}, {505.2336, 12.410571, "Meta"} -> 
    {{1, 37753, 1}, {"", ""}}, {431.3035, 12.411553, "Meta"} -> 
    {{1002979, 926405, 932564}, {"", ""}}, {413.2934, 12.41158, "Meta"} -> 
    {{356623, 334145, 337417}, {"", ""}}, {491.3008, 12.412041, "Meta"} -> 
    {{69586, 57518, 73325}, {"", ""}}, {1312.7719, 12.4140005, "Meta"} -> 
    {{1, 11245, 15124}, {"", ""}}, {851.5811, 12.417131, "Meta"} -> 
    {{82834, 87494, 96972}, {"C20-OHSulfatide [ C44 H85 N O12 S, db=89.76, \
overall=44.88, Lipid ID=LMSP06020005, KEGG ID= ]", ""}}, 
   {467.301, 12.424151, "Meta"} -> {{1198473, 699393, 1268443}, 
     {"Myristoyl L-a-lysophosphatidylcholine [ C22 H46 N O7 P, db=96.32, \
overall=48.16, KEGG ID=, CAS ID=20559-16-4 ]", "20559-16-4"}}, 
   {469.361, 12.42775, "Meta"} -> {{155558, 151166, 162226}, {"", ""}}, 
   {452.3344, 12.426857, "Meta"} -> {{262815, 299314, 280220}, {"", ""}}, 
   {505.2485, 12.426792, "Meta"} -> {{55311, 52154, 57236}, {"", ""}}, 
   {863.4587, 12.424135, "Meta"} -> {{24682, 26895, 24125}, {"", ""}}, 
   {614.2372, 12.435374, "Meta"} -> {{37476, 32571, 15686}, {"", ""}}, 
   {324.0821, 12.4366255, "Meta"} -> {{100884, 774200, 122482}, {"", ""}}, 
   {274.2141, 12.443, "Meta"} -> {{1135209, 622598, 1142167}, 
     {"2,15-dihydroxy-pentadecylic acid [ C15 H30 O4, db=98.78, \
overall=49.39, Lipid ID=LMFA01050082, KEGG ID= ]", ""}}, 
   {256.2038, 12.44312, "Meta"} -> {{72068, 43526, 77294}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=62.07, overall=31.03, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {352.171, 12.430658, "Meta"} -> 
    {{39213, 39437, 42099}, {"", ""}}, {370.1815, 12.436501, "Meta"} -> 
    {{49351, 103411, 1}, {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 \
O5 S, db=68.09, overall=34.04, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {500.1792, 12.433194, "Meta"} -> {{44631, 33696, 30624}, 
     {"gamma-Hydroxyphenylbutazone glucuronide [ C25 H28 N2 O9, db=72.50, \
overall=36.25, KEGG ID=, CAS ID= ]", ""}}, {588.225, 12.436315, "Meta"} -> 
    {{64136, 73385, 67733}, {"", ""}}, {504.2695, 12.450472, "Meta"} -> 
    {{1, 57771, 39099}, {"", ""}}, {528.189, 12.4353895, "Meta"} -> 
    {{61212, 57639, 58788}, {"", ""}}, {414.1453, 12.441296, "Meta"} -> 
    {{1, 36895, 35822}, {"", ""}}, {270.2135, 12.456722, "Meta"} -> 
    {{618869, 520153, 492774}, {"", ""}}, {292.167, 12.460268, "Meta"} -> 
    {{92489, 63275, 87121}, {"", ""}}, {719.5026, 12.466721, "Meta"} -> 
    {{67763, 70071, 72271}, {"", ""}}, {399.3347, 12.47114, "Meta"} -> 
    {{1677093, 1428836, 1501286}, {"Palmitoylcarnitine [ C23 H45 N O4, \
db=99.77, overall=49.89, Lipid ID=LMFA07070004, KEGG ID=C02990 ]", ""}}, 
   {182.1666, 12.464886, "Meta"} -> {{36478, 31720, 1}, 
     {"7E,9Z-dodecadien-1-ol [ C12 H22 O, db=80.52, overall=40.26, Lipid ID=, \
KEGG ID= ]", ""}}, {242.1878, 12.468251, "Meta"} -> 
    {{334203, 226923, 217796}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 \
O3, db=62.18, overall=31.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {895.6074, 12.470839, "Meta"} -> {{83709, 86341, 85997}, {"", ""}}, 
   {496.3607, 12.486807, "Meta"} -> {{275496, 212005, 1}, {"", ""}}, 
   {513.3873, 12.487667, "Meta"} -> {{195165, 222339, 230506}, {"", ""}}, 
   {384.1933, 12.488749, "Meta"} -> {{107888, 60443, 102409}, {"", ""}}, 
   {250.1204, 12.488947, "Meta"} -> {{57171, 29889, 58444}, 
     {"Ubiquinone [ C14 H18 O4, db=74.11, overall=37.06, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {409.3186, 12.504228, "Meta"} -> 
    {{219932, 34551, 35635}, {"", ""}}, {374.2808, 12.501667, "Meta"} -> 
    {{95614, 94048, 81754}, {"3beta-Hydroxychol-4-en-24-oic Acid [ C24 H38 \
O3, db=92.13, overall=46.07, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2756, 12.501445, "Meta"} -> {{135050, 127995, 123363}, {"", ""}}, 
   {356.2712, 12.505676, "Meta"} -> {{182492, 1, 231014}, 
     {"4,8,12,15,19,21-tetracosahexaenoic acid [ C24 H36 O2, db=94.78, \
overall=47.39, Lipid ID=, KEGG ID= ]", ""}}, {546.153, 12.509251, "Meta"} -> 
    {{30597, 29634, 19665}, {"", ""}}, {331.2721, 12.510544, "Meta"} -> 
    {{30600, 24846, 28823}, {"", ""}}, {449.314, 12.51639, "Meta"} -> 
    {{3113222, 2836950, 2893282}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, \
db=99.24, overall=49.62, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {562.2545, 12.516361, "Meta"} -> {{55902, 1, 40391}, 
     {"Protoporphyrin [ C34 H34 N4 O4, db=70.11, overall=35.05, KEGG \
ID=C01079, CAS ID=553-12-8 ]", "553-12-8"}}, {505.2343, 12.514931, "Meta"} -> 
    {{74825, 31188, 61687}, {"", ""}}, {487.2613, 12.517092, "Meta"} -> 
    {{143782, 118200, 97704}, {"", ""}}, {942.5912, 12.517724, "Meta"} -> 
    {{99296, 95503, 18917}, {"", ""}}, {391.3102, 12.521373, "Meta"} -> 
    {{116122, 117824, 1}, {"N,N-(2,2-dihydroxy-ethyl) arachidonoyl amine [ \
C24 H41 N O3, db=41.49, overall=20.74, Lipid ID=LMFA08020028, KEGG ID= ]", 
      ""}}, {768.484, 12.522172, "Meta"} -> {{50540, 48628, 48327}, 
     {"", ""}}, {547.2912, 12.518182, "Meta"} -> {{82599, 109817, 84623}, 
     {"", ""}}, {763.5285, 12.522705, "Meta"} -> {{51811, 54299, 58406}, 
     {"", ""}}, {612.2584, 12.528093, "Meta"} -> {{78646, 61730, 54395}, 
     {"", ""}}, {537.3427, 12.543621, "Meta"} -> {{60198, 45053, 1}, 
     {"GPEtn(10:0/11:0)[U] [ C26 H52 N O8 P, db=59.82, overall=29.91, Lipid \
ID=LMGP02010053, KEGG ID= ]", ""}}, {425.2543, 12.535178, "Meta"} -> 
    {{59876, 49260, 62660}, {"GPEtn(14:0/0:0) [ C19 H40 N O7 P, db=66.09, \
overall=33.05, Lipid ID=LMGP02050003, KEGG ID= ]", ""}}, 
   {557.4136, 12.545144, "Meta"} -> {{240782, 250175, 1}, {"", ""}}, 
   {355.2721, 12.554709, "Meta"} -> {{121870, 151122, 145689}, {"", ""}}, 
   {225.2089, 12.554222, "Meta"} -> {{718134, 739451, 670835}, {"", ""}}, 
   {650.3645, 12.549894, "Meta"} -> {{1, 47735, 50014}, 
     {"Digoxigenin bisdigitoxoside [ C35 H54 O11, db=73.18, overall=36.59, \
KEGG ID=, CAS ID=5297-05-2 ]", "5/2/97"}}, {580.2348, 12.5748005, "Meta"} -> 
    {{147379, 129383, 159917}, {"", ""}}, {501.3662, 12.573688, "Meta"} -> 
    {{95960, 92726, 97168}, {"", ""}}, {434.2881, 12.585032, "Meta"} -> 
    {{4657836, 133217, 821289}, {"(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thi\
avitamin D3 3-oxide / (5Z)-(3S)-1alpha,25-dihydroxy-3-deo [ C26 H42 O3 S, \
db=73.08, overall=36.54, Lipid ID=LMST03020052, KEGG ID= ]", ""}}, 
   {467.3008, 12.5836935, "Meta"} -> {{1.2*^7, 9896244, 1.42*^7}, 
     {"Myristoyl L-a-lysophosphatidylcholine [ C22 H46 N O7 P, db=97.87, \
overall=48.94, KEGG ID=, CAS ID=20559-16-4 ]", "20559-16-4"}}, 
   {505.2486, 12.583806, "Meta"} -> {{652377, 552983, 646531}, {"", ""}}, 
   {565.2755, 12.582859, "Meta"} -> {{350033, 349794, 437569}, 
     {" [ C32 H39 N O8, overall=43.39, mfg=86.78 ]", ""}}, 
   {451.3146, 12.585577, "Meta"} -> {{2364073, 491880, 453151}, {"", ""}}, 
   {279.2563, 12.585971, "Meta"} -> {{1103237, 1317786, 1011725}, {"", ""}}, 
   {319.2485, 12.586908, "Meta"} -> {{717009, 905686, 701702}, 
     {"N-hydroxy arachidonoyl amine [ C20 H33 N O2, db=80.38, overall=40.19, \
Lipid ID=LMFA08020029, KEGG ID= ]", ""}}, {625.3125, 12.582887, "Meta"} -> 
    {{44552, 62513, 76848}, {"", ""}}, {499.2697, 12.597638, "Meta"} -> 
    {{421552, 396108, 420000}, {"", ""}}, {584.4132, 12.599159, "Meta"} -> 
    {{65948, 344852, 322961}, {"", ""}}, {601.4399, 12.599721, "Meta"} -> 
    {{239298, 259371, 269305}, {"", ""}}, {246.2193, 12.616779, "Meta"} -> 
    {{111453, 90082, 107791}, {"", ""}}, {367.4175, 12.6358, "Meta"} -> 
    {{16646, 16765, 16953}, {"", ""}}, {579.2638, 12.629876, "Meta"} -> 
    {{202696, 172480, 228820}, {"", ""}}, {541.3169, 12.629602, "Meta"} -> 
    {{1, 1629143, 1}, {"", ""}}, {639.2913, 12.632768, "Meta"} -> 
    {{51342, 59018, 75405}, 
     {" [ C33 H41 N3 O10, db=0.00, overall=27.22, mfg=54.45 ]", ""}}, 
   {425.3506, 12.640696, "Meta"} -> {{2355314, 2123911, 2193841}, {"", ""}}, 
   {185.1413, 12.638656, "Meta"} -> {{98180, 110516, 88995}, 
     {"N-methyl-Gabapentin [ C10 H19 N O2, db=81.22, overall=40.61, KEGG ID=, \
CAS ID=102937-74-6 ]", "102937-74-6"}}, {285.2666, 12.643584, "Meta"} -> 
    {{1, 28448, 30341}, {"C17 Sphingosine [ C17 H35 N O2, db=57.52, \
overall=28.76, Lipid ID=LMSP01040002, KEGG ID= ]", ""}}, 
   {327.277, 12.625759, "Meta"} -> {{1, 74993, 74042}, {"", ""}}, 
   {821.5705, 12.638498, "Meta"} -> {{63581, 66217, 68078}, {"", ""}}, 
   {268.24, 12.642863, "Meta"} -> {{53814, 85806, 95920}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=79.16, overall=39.58, Lipid \
ID=LMFA01030060, KEGG ID= ]", ""}}, {545.3922, 12.643999, "Meta"} -> 
    {{75155, 84713, 76760}, {"", ""}}, {302.1891, 12.6535015, "Meta"} -> 
    {{1, 19895, 1}, {"2-Methoxyestradiol [ C19 H26 O3, db=65.37, \
overall=32.69, HMP ID=HMDB00405, KEGG ID= ]", ""}}, 
   {650.4213, 12.651346, "Meta"} -> {{1, 233487, 253649}, {"", ""}}, 
   {645.466, 12.651555, "Meta"} -> {{234100, 245601, 241388}, {"", ""}}, 
   {335.2434, 12.66379, "Meta"} -> {{588952, 574763, 515880}, {"", ""}}, 
   {256.2034, 12.661515, "Meta"} -> {{79214, 15652, 92742}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=61.28, overall=30.64, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {493.3169, 12.66411, "Meta"} -> 
    {{2568252, 1719210, 2905340}, {"", ""}}, {531.2641, 12.663871, "Meta"} -> 
    {{1, 137909, 178939}, {"", ""}}, {590.3068, 12.671346, "Meta"} -> 
    {{1, 1, 1}, {"D-Urobilinogen [ C33 H42 N4 O6, db=52.07, overall=26.03, \
HMP ID=HMDB04158, KEGG ID= ]", ""}}, {396.1935, 12.680503, "Meta"} -> 
    {{1, 38736, 1}, {"Pregnenolone sulfate [ C21 H32 O5 S, db=36.59, \
overall=18.29, HMP ID=HMDB00774, KEGG ID= ]", ""}}, 
   {632.5102, 12.680666, "Meta"} -> {{100387, 99566, 92620}, {"", ""}}, 
   {865.5968, 12.684233, "Meta"} -> {{62880, 75044, 64730}, {"", ""}}, 
   {395.2349, 12.689027, "Meta"} -> {{102556, 95146, 67667}, {"", ""}}, 
   {379.2488, 12.687057, "Meta"} -> {{1131506, 1080528, 980010}, 
     {"Sphingosine-1-phosphate [ C18 H38 N O5 P, db=99.36, overall=49.68, \
KEGG ID=, CAS ID=26993-30-6 ]", "26993-30-6"}}, 
   {319.2487, 12.687944, "Meta"} -> {{2692984, 1979070, 2150924}, 
     {"N-hydroxy arachidonoyl amine [ C20 H33 N O2, db=82.57, overall=41.29, \
Lipid ID=LMFA08020029, KEGG ID= ]", ""}}, {279.2564, 12.689749, "Meta"} -> 
    {{3275602, 3470686, 3256227}, {"", ""}}, {342.3243, 12.690058, "Meta"} -> 
    {{104535, 152444, 125296}, {"", ""}}, {352.236, 12.696232, "Meta"} -> 
    {{178854, 192025, 153822}, {"", ""}}, {180.0781, 12.695332, "Meta"} -> 
    {{59796, 70562, 56684}, {"o-Methoxyhydrocinnamic acid [ C10 H12 O3, \
db=82.64, overall=41.32, KEGG ID=, CAS ID= ]", ""}}, 
   {314.1855, 12.695227, "Meta"} -> {{421529, 435947, 334112}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=73.03, overall=36.52, KEGG ID=, \
CAS ID=38030-57-8 ]", "38030-57-8"}}, {309.2304, 12.69561, "Meta"} -> 
    {{690887, 711509, 557754}, {"", ""}}, {475.2699, 12.694333, "Meta"} -> 
    {{325195, 270052, 323074}, {"", ""}}, {236.1406, 12.695944, "Meta"} -> 
    {{54730, 48881, 34348}, {"", ""}}, {689.4924, 12.699888, "Meta"} -> 
    {{197357, 214112, 224401}, {"", ""}}, {672.4659, 12.699749, "Meta"} -> 
    {{253784, 259535, 273675}, {"", ""}}, {609.351, 12.6962595, "Meta"} -> 
    {{107082, 111515, 66618}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl [ C32 H51 N O10, \
db=94.76, overall=47.38, HMP ID=HMDB02474, KEGG ID= ]", ""}}, 
   {382.2147, 12.704666, "Meta"} -> {{24264, 30950, 26483}, 
     {"3,12-Dioxochola-1,4,9(11)-trien-24-oic Acid [ C24 H30 O4, db=73.34, \
overall=36.67, Lipid ID=, KEGG ID= ]", ""}}, {589.4187, 12.706942, "Meta"} -> 
    {{55638, 53494, 58776}, {"", ""}}, {307.2718, 12.7117195, "Meta"} -> 
    {{19539, 22544, 19779}, {"", ""}}, {270.2192, 12.709618, "Meta"} -> 
    {{111814, 84779, 120148}, {"3-keto palmitic acid [ C16 H30 O3, db=85.03, \
overall=42.52, Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, 
   {537.217, 12.694345, "Meta"} -> {{44675, 33768, 41967}, {"", ""}}, 
   {499.2698, 12.711946, "Meta"} -> {{544317, 366272, 554959}, {"", ""}}, 
   {300.2299, 12.716436, "Meta"} -> {{249836, 252058, 66713}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=79.78, overall=39.89, \
Lipid ID=, KEGG ID= ]", ""}}, {630.4941, 12.715778, "Meta"} -> 
    {{45248, 48224, 29710}, {"", ""}}, {252.2085, 12.716553, "Meta"} -> 
    {{27975, 36262, 34481}, {"2E,4E-hexadecadienoic acid [ C16 H28 O2, \
db=73.15, overall=36.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {914.5783, 12.727905, "Meta"} -> {{87470, 88099, 89380}, {"", ""}}, 
   {280.2014, 12.73493, "Meta"} -> {{1, 41536, 1}, 
     {"12S-HHTrE [ C17 H28 O3, db=42.31, overall=21.16, KEGG ID=, CAS ID= ]", 
      ""}}, {329.2928, 12.71444, "Meta"} -> {{620397, 1, 755827}, {"", ""}}, 
   {355.2179, 12.744277, "Meta"} -> {{70564, 63339, 67160}, 
     {"p-Hydroxypropoxyphene [ C22 H29 N O3, db=63.66, overall=31.83, KEGG \
ID=, CAS ID=43117-32-4 ]", "43117-32-4"}}, {240.2085, 12.740068, "Meta"} -> 
    {{42467, 44899, 42059}, {"2-pentadecenoic acid [ C15 H28 O2, db=72.07, \
overall=36.04, Lipid ID=, KEGG ID= ]", ""}}, {573.2378, 12.738915, "Meta"} -> 
    {{50450, 38824, 47753}, {"", ""}}, {874.5164, 12.745845, "Meta"} -> 
    {{100263, 82121, 85541}, {"Ivermectin B1a [ C48 H74 O14, db=21.59, \
overall=10.80, KEGG ID=C07970, CAS ID=71827-03-7 ]", "71827-03-7"}}, 
   {615.29, 12.742728, "Meta"} -> {{105218, 109042, 129777}, {"", ""}}, 
   {393.2191, 12.747176, "Meta"} -> {{96798, 1, 78070}, {"", ""}}, 
   {733.5184, 12.745, "Meta"} -> {{167376, 183333, 181479}, {"", ""}}, 
   {716.4917, 12.745065, "Meta"} -> {{213140, 210512, 207794}, {"", ""}}, 
   {517.3169, 12.746193, "Meta"} -> {{9809673, 7799820, 1.11*^7}, 
     {"Linolenoyl lysolecithin [ C26 H48 N O7 P, db=99.00, overall=49.50, \
KEGG ID=, CAS ID=63163-01-9 ]", "63163-01-9"}}, 
   {555.2641, 12.744076, "Meta"} -> {{478681, 377110, 535327}, 
     {"Leucine Enkephalin [ C28 H37 N5 O7, db=46.08, overall=23.04, KEGG ID=, \
CAS ID=81678-16-2 ]", "81678-16-2"}}, {1096.581, 12.747542, "Meta"} -> 
    {{379943, 289446, 381982}, {"", ""}}, {1058.6335, 12.748626, "Meta"} -> 
    {{1346049, 827521, 2080397}, {"", ""}}, {451.2698, 12.751194, "Meta"} -> 
    {{274192, 242798, 330386}, {"", ""}}, {1104.6042, 12.750401, "Meta"} -> 
    {{53828, 34629, 738137}, {"", ""}}, {594.238, 12.752146, "Meta"} -> 
    {{109292, 92199, 92246}, {"", ""}}, {1661.8961, 12.749751, "Meta"} -> 
    {{1, 95943, 151453}, {"", ""}}, {295.2514, 12.752306, "Meta"} -> 
    {{9657126, 9529882, 5702273}, {"", ""}}, {646.5257, 12.745705, "Meta"} -> 
    {{39545, 1, 34412}, {"", ""}}, {654.2522, 12.751028, "Meta"} -> 
    {{155070, 138467, 143334}, {"", ""}}, {541.3161, 12.752888, "Meta"} -> 
    {{2.32*^7, 1.59*^7, 2.42*^7}, {"", ""}}, {597.2377, 12.750058, "Meta"} -> 
    {{165853, 130308, 139399}, {"", ""}}, {579.2647, 12.7531395, "Meta"} -> 
    {{1154680, 895381, 1148517}, 
     {" [ C32 H39 N2 O8, db=0.00, overall=32.44, mfg=64.87 ]", ""}}, 
   {710.2763, 12.752368, "Meta"} -> {{53570, 38043, 43696}, {"", ""}}, 
   {639.2909, 12.752972, "Meta"} -> {{210017, 214503, 233618}, 
     {" [ C33 H41 N3 O10, db=0.00, overall=34.40, mfg=68.80 ]", ""}}, 
   {563.2865, 12.751833, "Meta"} -> {{97699, 63694, 70874}, {"", ""}}, 
   {278.2243, 12.768029, "Meta"} -> {{212337, 222500, 1}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=76.66, overall=38.33, Lipid \
ID=LMFA01030148, KEGG ID= ]", ""}}, {958.6044, 12.764857, "Meta"} -> 
    {{72003, 71063, 75559}, {"", ""}}, {1613.8976, 12.766002, "Meta"} -> 
    {{159367, 124155, 190111}, {"", ""}}, {358.1711, 12.782434, "Meta"} -> 
    {{45399, 46963, 32252}, {"", ""}}, {298.1468, 12.782714, "Meta"} -> 
    {{53747, 49911, 50998}, {"", ""}}, {345.1374, 12.7813015, "Meta"} -> 
    {{28108, 23891, 14458}, {"", ""}}, {200.1773, 12.781779, "Meta"} -> 
    {{114487, 108130, 109346}, {"Lauric acid [ C12 H24 O2, db=93.72, \
overall=46.86, KEGG ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, 
   {214.1929, 12.781723, "Meta"} -> {{79905, 76749, 69352}, 
     {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, db=85.75, overall=42.87, \
KEGG ID=, CAS ID= ]", ""}}, {254.224, 12.784, "Meta"} -> 
    {{114246, 71528, 60928}, {"7-palmitoleic acid [ C16 H30 O2, db=89.68, \
overall=44.84, Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, 
   {1072.5817, 12.78529, "Meta"} -> {{541903, 465959, 568781}, {"", ""}}, 
   {777.5449, 12.788111, "Meta"} -> {{126123, 107504, 149183}, {"", ""}}, 
   {294.2171, 12.80724, "Meta"} -> {{1, 133692, 1}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=65.45, overall=32.73, \
Lipid ID=, KEGG ID= ]", ""}}, {986.6337, 12.798241, "Meta"} -> 
    {{2068915, 897711, 3245433}, {"", ""}}, {483.3767, 12.801028, "Meta"} -> 
    {{92953, 97561, 104309}, {"", ""}}, {466.3504, 12.800827, "Meta"} -> 
    {{110591, 176115, 117898}, {"", ""}}, {515.2983, 12.801221, "Meta"} -> 
    {{5273226, 4120515, 5128473}, {"", ""}}, {272.1993, 12.802755, "Meta"} -> 
    {{147384, 145079, 54741}, {"3-methyl-tetradecanedioic acid [ C15 H28 O4, \
db=87.86, overall=43.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {1002.6305, 12.8012295, "Meta"} -> {{75020, 76359, 74626}, {"", ""}}, 
   {1024.5826, 12.804735, "Meta"} -> {{835086, 621024, 765017}, {"", ""}}, 
   {591.2919, 12.809055, "Meta"} -> {{371718, 390863, 437233}, 
     {" [ C34 H41 N O8, db=0.00, overall=41.36, mfg=82.72 ]", ""}}, 
   {606.2508, 12.808973, "Meta"} -> {{228665, 179533, 184528}, {"", ""}}, 
   {493.3159, 12.811169, "Meta"} -> {{2.62*^7, 2.14*^7, 2.98*^7}, {"", ""}}, 
   {531.2643, 12.810324, "Meta"} -> {{1255681, 1090206, 1271364}, {"", ""}}, 
   {549.2373, 12.808871, "Meta"} -> {{181468, 130787, 134986}, {"", ""}}, 
   {454.3057, 12.813647, "Meta"} -> {{32851, 33225, 21999}, 
     {"26,26,26-trifluoro-25-hydroxyvitamin D3 / \
26,26,26-trifluoro-25-hydroxycholecalciferol [ C27 H41 F3 O2, db=85.90, \
overall=42.95, Lipid ID=LMST03020131, KEGG ID= ]", ""}}, 
   {414.3129, 12.812971, "Meta"} -> {{48775, 47260, 40753}, 
     {"1alpha,25-dihydroxy-9,11-didehydrovitamin D_3 / \
1alpha,25-dihydroxy-9,11-didehydrocholecalciferol [ C27 H42 O3, db=82.66, \
overall=41.33, Lipid ID=LMST03020170, KEGG ID= ]", ""}}, 
   {596.2634, 12.8228445, "Meta"} -> {{62486, 43237, 24572}, {"", ""}}, 
   {437.2892, 12.8172, "Meta"} -> {{1, 37732, 1}, {"", ""}}, 
   {682.4242, 12.824768, "Meta"} -> {{38510, 35272, 1}, {"", ""}}, 
   {398.2432, 12.822418, "Meta"} -> {{108740, 93917, 142318}, {"", ""}}, 
   {677.4712, 12.822635, "Meta"} -> {{28819, 1, 31269}, {"", ""}}, 
   {256.2036, 12.822162, "Meta"} -> {{92418, 106914, 94547}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=61.54, overall=30.77, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {826.5262, 12.818275, "Meta"} -> 
    {{194917, 192476, 109563}, {"", ""}}, {280.2011, 12.8328, "Meta"} -> 
    {{31083, 34671, 1}, 
     {"12S-HHTrE [ C17 H28 O3, db=40.55, overall=20.28, KEGG ID=, CAS ID= ]", 
      ""}}, {821.5706, 12.8296385, "Meta"} -> {{102060, 109744, 114222}, 
     {"", ""}}, {240.2083, 12.832307, "Meta"} -> {{39216, 37531, 30589}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=72.97, overall=36.49, Lipid ID=, \
KEGG ID= ]", ""}}, {527.403, 12.835585, "Meta"} -> 
    {{179701, 188474, 184561}, {"", ""}}, {510.3765, 12.837113, "Meta"} -> 
    {{64973, 306928, 68330}, {"", ""}}, {901.4447, 12.842889, "Meta"} -> 
    {{29223, 32563, 34429}, {"", ""}}, {338.2438, 12.854486, "Meta"} -> 
    {{28290, 30127, 24695}, {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=56.30, \
overall=28.15, KEGG ID=, CAS ID= ]", ""}}, {885.4796, 12.842206, "Meta"} -> 
    {{94928, 107359, 115394}, {"", ""}}, {588.2239, 12.856218, "Meta"} -> 
    {{1, 15726, 1}, {"", ""}}, {414.1448, 12.856258, "Meta"} -> 
    {{16882, 17605, 1}, {"", ""}}, {472.187, 12.863851, "Meta"} -> 
    {{18441, 19110, 12515}, 
     {"Trp His Met [ C22 H28 N6 O4 S, db=36.23, overall=18.12 ]", ""}}, 
   {865.5967, 12.867527, "Meta"} -> {{72442, 74421, 76215}, {"", ""}}, 
   {870.5522, 12.86621, "Meta"} -> {{61661, 74217, 67845}, {"", ""}}, 
   {515.2333, 12.872112, "Meta"} -> {{105478, 100089, 99524}, {"", ""}}, 
   {384.1824, 12.871333, "Meta"} -> {{78837, 1, 13884}, {"", ""}}, 
   {554.4028, 12.871445, "Meta"} -> {{400929, 403697, 384827}, {"", ""}}, 
   {500.1787, 12.860778, "Meta"} -> {{27275, 29450, 21175}, 
     {"gamma-Hydroxyphenylbutazone glucuronide [ C25 H28 N2 O9, db=78.83, \
overall=39.41, KEGG ID=, CAS ID= ]", ""}}, {444.2075, 12.872678, "Meta"} -> 
    {{65195, 1, 12085}, {"", ""}}, {477.2857, 12.872913, "Meta"} -> 
    {{1727565, 1667662, 1537777}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=70.03, overall=35.02 ]", ""}}, 
   {560.2004, 12.861138, "Meta"} -> {{17366, 17661, 13904}, {"", ""}}, 
   {571.4295, 12.871741, "Meta"} -> {{245450, 267402, 259720}, {"", ""}}, 
   {370.1814, 12.859806, "Meta"} -> {{68432, 98413, 70401}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=96.30, \
overall=48.15, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {468.1503, 12.861229, "Meta"} -> {{13476, 16331, 11600}, {"", ""}}, 
   {352.1708, 12.858888, "Meta"} -> {{26477, 35888, 27415}, {"", ""}}, 
   {286.2145, 12.873165, "Meta"} -> {{4322650, 496615, 790647}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=98.68, overall=49.34, HMP \
ID=HMDB00672, KEGG ID= ]", ""}}, {198.1615, 12.874167, "Meta"} -> 
    {{1458625, 176132, 295535}, {"9-lauroleic acid [ C12 H22 O2, db=98.26, \
overall=49.13, Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, 
   {346.2464, 12.87547, "Meta"} -> {{217075, 39302, 63460}, {"", ""}}, 
   {303.2406, 12.874667, "Meta"} -> {{1314096, 166165, 257098}, {"", ""}}, 
   {110.1092, 12.874167, "Meta"} -> {{461917, 61387, 100376}, {"", ""}}, 
   {331.272, 12.874617, "Meta"} -> {{170395, 1, 67248}, {"", ""}}, 
   {312.23, 12.861374, "Meta"} -> {{1, 1, 39633}, {"8,13-dihydroxy-9,11-octad\
ecadienoic acid [ C18 H32 O4, db=73.37, overall=36.68, Lipid ID=, KEGG ID= ]"\
, ""}}, {360.2661, 12.891426, "Meta"} -> {{89858, 91288, 71154}, 
     {"1alpha,23-dihydroxy-24,25,26,27-tetranorvitamin D3 / \
1alpha,23-dihydroxy-24,25,26,27-tetranorcholeca [ C23 H36 O3, db=79.75, \
overall=39.88, Lipid ID=LMST03020020, KEGG ID= ]", ""}}, 
   {472.2434, 12.8901825, "Meta"} -> {{31674, 31783, 1}, {"", ""}}, 
   {548.23, 12.8912735, "Meta"} -> {{12680, 1, 1}, {"", ""}}, 
   {342.2169, 12.894272, "Meta"} -> {{80011, 83014, 1}, 
     {"Megestrol [ C22 H30 O3, db=77.08, overall=38.54, KEGG ID=C07120, CAS \
ID=3562-63-8 ]", "3562-63-8"}}, {256.2187, 12.893861, "Meta"} -> 
    {{1, 1, 35802}, {"", ""}}, {927.4605, 12.892209, "Meta"} -> 
    {{15473, 13618, 1}, {"", ""}}, {911.496, 12.892471, "Meta"} -> 
    {{52985, 48398, 20889}, {"", ""}}, {539.2333, 12.903911, "Meta"} -> 
    {{139049, 137659, 126686}, {"", ""}}, {501.2855, 12.907584, "Meta"} -> 
    {{2534849, 2675877, 3172223}, {"Fexofenadine [ C32 H39 N O4, db=58.07, \
overall=29.03, KEGG ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {861.5497, 12.909751, "Meta"} -> {{49497, 54329, 42397}, {"", ""}}, 
   {519.3325, 12.914667, "Meta"} -> {{6.08*^7, 5.77*^7, 6.31*^7}, 
     {"1-Linoleoylphosphatidylcholine [ C26 H50 N O7 P, db=99.74, \
overall=49.87, KEGG ID=, CAS ID=5655-12-9 ]", "12/9/55"}}, 
   {1012.6501, 12.914031, "Meta"} -> {{1192245, 1167449, 1801537}, {"", ""}}, 
   {635.2734, 12.919773, "Meta"} -> {{50241, 47619, 1}, {"", ""}}, 
   {1076.6128, 12.916134, "Meta"} -> {{521909, 537965, 634942}, {"", ""}}, 
   {557.2806, 12.91837, "Meta"} -> {{1674217, 1094550, 1661163}, {"", ""}}, 
   {541.3017, 12.946648, "Meta"} -> {{80103, 79485, 87385}, {"", ""}}, 
   {688.2915, 12.91703, "Meta"} -> {{113624, 101173, 101317}, {"", ""}}, 
   {853.5446, 12.919279, "Meta"} -> {{59427, 64447, 58158}, {"", ""}}, 
   {632.2664, 12.917572, "Meta"} -> {{270971, 180399, 214182}, {"", ""}}, 
   {1091.581, 12.917712, "Meta"} -> {{146155, 133963, 124436}, {"", ""}}, 
   {183.0655, 12.927937, "Meta"} -> {{260574, 255232, 283497}, {"", ""}}, 
   {1060.6475, 12.934857, "Meta"} -> {{38345, 1125593, 31486}, {"", ""}}, 
   {1044.618, 12.990282, "Meta"} -> {{374533, 575127, 1}, {"", ""}}, 
   {2658.6086, 13.000936, "Meta"} -> {{155706, 159060, 197267}, {"", ""}}, 
   {239.0918, 12.93324, "Meta"} -> {{32935, 1, 1}, {"", ""}}, 
   {1619.9443, 12.934193, "Meta"} -> {{210125, 203315, 1}, {"", ""}}, 
   {1000.6499, 12.928946, "Meta"} -> {{1302016, 1227718, 1621315}, {"", ""}}, 
   {481.3173, 12.937497, "Meta"} -> {{3698573, 4012249, 3337199}, 
     {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=99.47, overall=49.74, Lipid \
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    {{583803, 418128, 583373}, {"", ""}}, {519.2655, 12.939625, "Meta"} -> 
    {{150384, 1, 126933}, {"", ""}}, {617.3076, 12.924249, "Meta"} -> 
    {{58275, 1, 1}, {"", ""}}, {1661.919, 13.038292, "Meta"} -> 
    {{63727, 50458, 36515}, {"", ""}}, {659.482, 12.942501, "Meta"} -> 
    {{304702, 329447, 315896}, {"", ""}}, {953.6495, 12.939168, "Meta"} -> 
    {{33494, 34494, 34489}, {"", ""}}, {642.4556, 12.942776, "Meta"} -> 
    {{404430, 415929, 379498}, {"", ""}}, {543.3319, 12.949862, "Meta"} -> 
    {{2.95*^7, 2.75*^7, 3.06*^7}, {"Arachidonyl lysolecithin [ C28 H50 N O7 \
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   {791.5607, 13.040998, "Meta"} -> {{160449, 167136, 161507}, 
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    {{493000, 488696, 416951}, 
     {" [ C32 H41 N2 O8, db=0.00, overall=32.80, mfg=65.61 ]", ""}}, 
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   {1148.6106, 13.078375, "Meta"} -> {{111724, 106643, 104938}, {"", ""}}, 
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   {413.1753, 13.097616, "Meta"} -> {{20235, 24859, 20247}, 
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   {879.6129, 13.101585, "Meta"} -> {{161207, 144615, 156902}, 
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    {{314716, 1, 292125}, {"", ""}}, {1014.6646, 13.105733, "Meta"} -> 
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   {1547.9456, 13.121827, "Meta"} -> {{234211, 297485, 173502}, {"", ""}}, 
   {533.28, 13.1384115, "Meta"} -> {{1075091, 930438, 783813}, {"", ""}}, 
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   {507.3327, 13.120777, "Meta"} -> {{3384846, 3324446, 3175417}, {"", ""}}, 
   {923.6393, 13.128447, "Meta"} -> {{116678, 145575, 122850}, {"", ""}}, 
   {369.2878, 13.135938, "Meta"} -> {{1, 21336, 27887}, 
     {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, db=66.03, overall=33.01, \
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    {{1, 9316828, 1}, {"Linolenoyl lysolecithin [ C26 H48 N O7 P, db=71.36, \
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   {280.2016, 13.128001, "Meta"} -> {{1, 16961, 1}, 
     {"12S-HHTrE [ C17 H28 O3, db=67.26, overall=33.63, KEGG ID=, CAS ID= ]", 
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   {374.2433, 13.145103, "Meta"} -> {{36767, 32500, 34980}, 
     {"Digitoxigenin [ C23 H34 O4, db=51.93, overall=25.96, KEGG ID=, CAS \
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    {{33543, 33053, 34333}, {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 \
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   {967.665, 13.152544, "Meta"} -> {{93772, 98158, 87676}, {"", ""}}, 
   {859.5254, 13.156605, "Meta"} -> {{106994, 100719, 109119}, {"", ""}}, 
   {284.235, 13.1601715, "Meta"} -> {{148107, 148358, 148437}, 
     {"2-oxo-heptadecanoic acid [ C17 H32 O3, db=99.17, overall=49.59, Lipid \
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    {{62035, 60752, 44504}, {"", ""}}, {415.1816, 13.160233, "Meta"} -> 
    {{48564, 36313, 36138}, 
     {"Pro His Tyr [ C20 H25 N5 O5, db=56.87, overall=28.44 ]", ""}}, 
   {400.2138, 13.160443, "Meta"} -> {{122231, 112950, 120363}, 
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   {360.0762, 13.162133, "Meta"} -> {{25577, 1, 14306}, {"", ""}}, 
   {418.1866, 13.1605, "Meta"} -> {{42378, 33399, 28729}, 
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   {435.2755, 13.168929, "Meta"} -> {{21163, 27014, 1}, {"", ""}}, 
   {362.278, 13.161973, "Meta"} -> {{58957, 72652, 64303}, {"", ""}}, 
   {460.2394, 13.160829, "Meta"} -> {{29082, 30480, 27264}, 
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   {658.292, 13.164111, "Meta"} -> {{34104, 33690, 30152}, {"", ""}}, 
   {210.198, 13.161266, "Meta"} -> {{30367, 26608, 31767}, 
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   {396.2874, 13.171314, "Meta"} -> {{28130, 18802, 21086}, 
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    {{74718, 80999, 75669}, {"", ""}}, {413.3138, 13.174972, "Meta"} -> 
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    {{12239, 9964, 1}, {"", ""}}, {491.2329, 13.180776, "Meta"} -> 
    {{61982, 59001, 50167}, 
     {"Trp Met Arg [ C22 H33 N7 O4 S, db=87.08, overall=43.54 ]", ""}}, 
   {453.2857, 13.181751, "Meta"} -> {{2420490, 2411522, 2426029}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=99.55, overall=49.78, Lipid \
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    {{61410, 75453, 70180}, {"", ""}}, {629.4713, 13.1857195, "Meta"} -> 
    {{189855, 187483, 166759}, {"", ""}}, {612.4449, 13.182668, "Meta"} -> 
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   {503.3012, 13.232915, "Meta"} -> {{89431, 78763, 86582}, {"", ""}}, 
   {717.5241, 13.237333, "Meta"} -> {{248288, 240083, 228466}, 
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    {{556727, 569175, 594925}, {"", ""}}, {368.1336, 13.48364, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {283.108, 13.4861145, "Meta"} -> 
    {{82119, 27899, 1}, {"", ""}}, {648.2967, 13.495222, "Meta"} -> 
    {{17171, 27501, 19135}, {"", ""}}, {819.592, 13.497973, "Meta"} -> 
    {{489796, 485762, 486143}, {"", ""}}, {802.5656, 13.49772, "Meta"} -> 
    {{664843, 624782, 654929}, {"1-heptadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetra\
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    {{8251060, 7657671, 9471747}, {"", ""}}, 
   {1165.6327, 13.499093, "Meta"} -> {{178334, 164478, 158638}, {"", ""}}, 
   {1151.618, 13.505199, "Meta"} -> {{1, 189467, 153771}, {"", ""}}, 
   {988.6857, 13.50629, "Meta"} -> {{484129, 1050885, 498197}, {"", ""}}, 
   {339.2883, 13.506903, "Meta"} -> {{734987, 881667, 896140}, {"", ""}}, 
   {517.285, 13.498918, "Meta"} -> {{178955, 189319, 193489}, {"", ""}}, 
   {765.5234, 13.503918, "Meta"} -> {{251225, 132155, 229592}, {"", ""}}, 
   {1399.899, 13.508409, "Meta"} -> {{39041, 32120, 1}, {"", ""}}, 
   {1050.7004, 13.5051985, "Meta"} -> {{708754, 790887, 714325}, {"", ""}}, 
   {1026.6353, 13.507728, "Meta"} -> {{58818, 61931, 59863}, {"", ""}}, 
   {1092.7122, 13.491323, "Meta"} -> {{1356193, 1525161, 2147313}, {"", ""}}, 
   {477.1903, 13.515063, "Meta"} -> {{32589, 44376, 18563}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
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    {{4155430, 4980699, 4492019}, {"", ""}}, 
   {1123.622, 13.4977045, "Meta"} -> {{44847, 51438, 31142}, {"", ""}}, 
   {598.2433, 13.509795, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {846.5917, 13.509481, "Meta"} -> {{88329, 124295, 727798}, {"", ""}}, 
   {863.6182, 13.510503, "Meta"} -> {{575117, 643981, 598011}, 
     {"C22 Sulfatide [ C46 H89 N O11 S, db=87.95, overall=43.97, Lipid \
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    {{43740, 1, 1}, {"", ""}}, {612.2584, 13.509334, "Meta"} -> 
    {{279863, 262259, 227318}, {"", ""}}, {580.2323, 13.509277, "Meta"} -> 
    {{461051, 344358, 338754}, {"", ""}}, {547.2957, 13.523854, "Meta"} -> 
    {{1, 395552, 379140}, {"", ""}}, {644.2847, 13.51143, "Meta"} -> 
    {{702107, 621057, 534231}, {"", ""}}, {509.3475, 13.52603, "Meta"} -> 
    {{1.43*^7, 1.61*^7, 1.85*^7}, {"", ""}}, {658.2652, 13.513304, "Meta"} -> 
    {{40216, 38089, 37327}, {"", ""}}, {607.3208, 13.524964, "Meta"} -> 
    {{163505, 158329, 185084}, {"", ""}}, {907.6449, 13.525166, "Meta"} -> 
    {{720635, 755665, 771869}, {"3-O-Sulfogalactosylceramide [ C48 H93 N O12 \
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   {890.6182, 13.524207, "Meta"} -> {{675480, 75781, 1}, {"", ""}}, 
   {720.3006, 13.519515, "Meta"} -> {{26067, 22616, 1}, {"", ""}}, 
   {672.2796, 13.517088, "Meta"} -> {{217787, 203463, 159701}, {"", ""}}, 
   {571.3639, 13.521864, "Meta"} -> {{8283682, 9579778, 9404919}, {"", ""}}, 
   {354.2171, 13.571854, "Meta"} -> {{22496, 35486, 30419}, 
     {"Levonorgestrel acetate [ C23 H30 O3, db=64.58, overall=32.29, KEGG \
ID=, CAS ID=13732-69-9 ]", "13732-69-9"}}, {814.5046, 13.536868, "Meta"} -> 
    {{192310, 149588, 1}, {"", ""}}, {809.5497, 13.531092, "Meta"} -> 
    {{1, 97410, 171955}, {"", ""}}, {734.3164, 13.525888, "Meta"} -> 
    {{88378, 80314, 57298}, {"", ""}}, {299.2825, 13.542036, "Meta"} -> 
    {{100401, 305258, 77711}, {"3-Dehydrosphinganine [ C18 H37 N O2, \
db=93.67, overall=46.83, KEGG ID=C02934, CAS ID=16105-69-4 ]", 
      "16105-69-4"}}, {706.3211, 13.528087, "Meta"} -> 
    {{39339, 38252, 26579}, {"", ""}}, {1369.8884, 13.563042, "Meta"} -> 
    {{149085, 41993, 1}, {"", ""}}, {934.6437, 13.537066, "Meta"} -> 
    {{90479, 1, 575133}, {"", ""}}, {951.6706, 13.535638, "Meta"} -> 
    {{711011, 602020, 603261}, {"", ""}}, {395.3035, 13.538113, "Meta"} -> 
    {{267915, 227749, 203563}, {"", ""}}, {400.2588, 13.538917, "Meta"} -> 
    {{728500, 578426, 554497}, {"Ophiobolin A [ C25 H36 O4, db=54.29, \
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   {452.2451, 13.542232, "Meta"} -> {{225690, 212970, 203370}, 
     {"Diphenoxylate [ C30 H32 N2 O2, db=83.13, overall=41.56, KEGG \
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    {{6413873, 5647924, 5230546}, {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ \
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   {491.2062, 13.533772, "Meta"} -> {{41886, 65057, 57897}, 
     {"Tyr Phe Tyr [ C27 H29 N3 O6, db=57.52, overall=28.76 ]", ""}}, 
   {414.3093, 13.543919, "Meta"} -> {{431848, 485375, 501794}, {"", ""}}, 
   {371.3036, 13.545373, "Meta"} -> {{1799117, 1564127, 1512988}, {"", ""}}, 
   {1000.6522, 13.561621, "Meta"} -> {{106053, 127982, 1}, {"", ""}}, 
   {995.6966, 13.547221, "Meta"} -> {{597102, 610472, 529822}, {"", ""}}, 
   {262.2296, 13.545572, "Meta"} -> {{432061, 408374, 410767}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=92.20, overall=46.10, Lipid \
ID=, KEGG ID= ]", ""}}, {396.2665, 13.645791, "Meta"} -> 
    {{71756, 41223, 43546}, {"", ""}}, {508.8397, 13.549695, "Meta"} -> 
    {{105560, 96074, 93579}, {"", ""}}, {1022.6367, 13.552206, "Meta"} -> 
    {{72464, 67964, 70331}, {"", ""}}, {267.2559, 13.55222, "Meta"} -> 
    {{953240, 612765, 714253}, {"", ""}}, {853.5758, 13.555092, "Meta"} -> 
    {{166985, 78415, 118194}, {"", ""}}, {501.2539, 13.558999, "Meta"} -> 
    {{25693, 42580, 39746}, {"", ""}}, {858.5316, 13.556654, "Meta"} -> 
    {{166902, 63446, 113838}, {"", ""}}, {1028.648, 13.573232, "Meta"} -> 
    {{1, 115986, 94916}, {"", ""}}, {837.5203, 13.564915, "Meta"} -> 
    {{27171, 27962, 35576}, {"", ""}}, {519.8613, 13.559681, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1056.7491, 13.56075, "Meta"} -> 
    {{83678, 77917, 1}, {"", ""}}, {530.8529, 13.562063, "Meta"} -> 
    {{109784, 110050, 108610}, {"", ""}}, {463.3064, 13.56053, "Meta"} -> 
    {{1235265, 1456017, 1416355}, {"", ""}}, {334.1441, 13.569034, "Meta"} -> 
    {{38603, 32635, 1}, 
     {"Arg Cys Gly [ C11 H22 N6 O4 S, db=50.72, overall=25.36 ]", ""}}, 
   {376.1987, 13.568419, "Meta"} -> {{52299, 46725, 39904}, 
     {"Glu Thr Lys [ C15 H28 N4 O7, db=67.35, overall=33.68 ]", ""}}, 
   {316.1717, 13.568858, "Meta"} -> {{26484, 24194, 21827}, 
     {"Ala Asn Leu [ C13 H24 N4 O5, db=54.09, overall=27.05 ]", ""}}, 
   {278.2244, 13.568999, "Meta"} -> {{271096, 278415, 244041}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=86.05, overall=43.02, Lipid \
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    {{348812, 1, 217671}, {"", ""}}, {1088.7043, 13.572557, "Meta"} -> 
    {{423246, 469764, 407729}, {"", ""}}, {1110.6956, 13.577559, "Meta"} -> 
    {{107886, 118189, 86285}, {"", ""}}, {960.6902, 13.570629, "Meta"} -> 
    {{92496, 149710, 157930}, {"", ""}}, {902.5572, 13.5793, "Meta"} -> 
    {{86293, 51222, 82064}, {"", ""}}, {897.6025, 13.580344, "Meta"} -> 
    {{155293, 48912, 101308}, {"", ""}}, {294.2172, 13.592863, "Meta"} -> 
    {{43185, 39086, 34540}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, \
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   {466.3728, 13.589202, "Meta"} -> {{47134, 61346, 50251}, {"", ""}}, 
   {519.3001, 13.581778, "Meta"} -> {{276219, 311293, 338361}, {"", ""}}, 
   {594.2896, 13.585677, "Meta"} -> {{80100, 67447, 62126}, 
     {" [ C33 H42 N2 O8, db=0.00, overall=30.00, mfg=60.00 ]", ""}}, 
   {1132.7306, 13.584446, "Meta"} -> {{269146, 274405, 280888}, {"", ""}}, 
   {481.3526, 13.5835, "Meta"} -> {{1.62*^7, 1.83*^7, 1.85*^7}, 
     {"1-O-Hexadecyl-2-lyso-glycero-3-phosphorylcholine [ C24 H52 N O6 P, \
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   {579.3257, 13.584827, "Meta"} -> {{156376, 169751, 178465}, {"", ""}}, 
   {421.3402, 13.600849, "Meta"} -> {{545437, 486560, 451871}, {"", ""}}, 
   {364.2589, 13.5994625, "Meta"} -> {{1, 137595, 133848}, 
     {"11-deoxy-16,16-dimethyl-PGE2 [ C22 H36 O4, db=63.57, overall=31.78, \
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    {{480477, 471152, 468390}, {"", ""}}, {1545.9933, 13.579229, "Meta"} -> 
    {{117045, 147918, 74902}, {"", ""}}, {1176.7563, 13.596857, "Meta"} -> 
    {{230333, 242467, 243556}, {"", ""}}, {404.3139, 13.602781, "Meta"} -> 
    {{2816236, 2396735, 2188258}, {"", ""}}, {599.8735, 13.598457, "Meta"} -> 
    {{1, 36731, 37156}, {"", ""}}, {946.5852, 13.60276, "Meta"} -> 
    {{85568, 39700, 41106}, {"", ""}}, {547.3639, 13.597056, "Meta"} -> 
    {{1.33*^7, 1.32*^7, 1.51*^7}, {"", ""}}, {941.6301, 13.598959, "Meta"} -> 
    {{116329, 40011, 86452}, {"", ""}}, {585.3108, 13.596875, "Meta"} -> 
    {{323825, 333593, 358372}, {"", ""}}, {358.2483, 13.611223, "Meta"} -> 
    {{49391, 86160, 66097}, {"", ""}}, {312.2663, 13.609001, "Meta"} -> 
    {{896002, 804286, 1043738}, {"18-oxo-nonadecanoic acid [ C19 H36 O3, \
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   {1215.8278, 13.60837, "Meta"} -> {{1, 202800, 400035}, {"", ""}}, 
   {1220.7823, 13.607741, "Meta"} -> {{121177, 191674, 305536}, {"", ""}}, 
   {1232.8549, 13.610902, "Meta"} -> {{93428, 117624, 1}, {"", ""}}, 
   {451.3062, 13.630885, "Meta"} -> {{116581, 114806, 234726}, {"", ""}}, 
   {773.5247, 13.616361, "Meta"} -> {{1, 32319, 1}, {"", ""}}, 
   {1264.8105, 13.619029, "Meta"} -> {{149653, 251420, 205834}, {"", ""}}, 
   {993.6999, 13.622969, "Meta"} -> {{51843, 54582, 39006}, {"", ""}}, 
   {629.9261, 13.618459, "Meta"} -> {{1, 265801, 39166}, {"", ""}}, 
   {271.2509, 13.618684, "Meta"} -> {{1, 36686, 29370}, 
     {"2R-aminohexadecanoic acid [ C16 H33 N O2, db=94.88, overall=47.44, \
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    {{26832, 23261, 20963}, {"prasterone sulfate [ C19 H27 O5 S, db=49.48, \
overall=24.74, KEGG ID=, CAS ID=78590-17-7 ]", "78590-17-7"}}, 
   {1276.8809, 13.6216545, "Meta"} -> {{135497, 126617, 122475}, {"", ""}}, 
   {254.2244, 13.625055, "Meta"} -> {{299350, 285523, 268209}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=96.21, overall=48.11, Lipid \
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    {{130859, 135480, 128588}, {"Estradiol valerate [ C23 H32 O3, db=47.05, \
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   {370.17, 13.628917, "Meta"} -> {{1, 14720, 11244}, {"", ""}}, 
   {352.1935, 13.626401, "Meta"} -> {{86498, 73534, 1}, {"", ""}}, 
   {308.235, 13.627833, "Meta"} -> {{3510742, 4245157, 3707123}, 
     {"methyl 9,10-epoxy-12,15-octadecadienoate [ C19 H32 O3, db=72.91, \
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    {{64869, 72459, 43320}, {"6,11-hexadecadienal [ C16 H28 O, db=62.84, \
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    {{82587, 75644, 58133}, {"ZK 159222 [ C32 H48 O5, db=76.77, \
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   {325.2617, 13.630723, "Meta"} -> {{331987, 376933, 342873}, 
     {"50oxo-ETE-d7 [ C20 H23 D7 O3, db=54.79, overall=27.39, Lipid \
ID=LMFA03060083, KEGG ID= ]", ""}}, {472.3549, 13.629856, "Meta"} -> 
    {{29739, 28490, 27814}, {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehyd\
ro-23-oxavitamin D3 / 26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=78.46, \
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   {290.2243, 13.629774, "Meta"} -> {{134182, 176356, 170097}, 
     {"Androsterone [ C19 H30 O2, db=84.81, overall=42.40, KEGG ID=C00523, \
CAS ID=53-41-8 ]", "53-41-8"}}, {1303.8798, 13.632357, "Meta"} -> 
    {{84803, 53869, 1}, {"", ""}}, {1308.8383, 13.623311, "Meta"} -> 
    {{1, 84891, 36018}, {"", ""}}, {1320.9062, 13.631161, "Meta"} -> 
    {{103494, 88782, 94070}, {"", ""}}, {484.3163, 13.628167, "Meta"} -> 
    {{146304, 43304, 1}, {"", ""}}, {589.3743, 13.630784, "Meta"} -> 
    {{279688, 289757, 311704}, {"", ""}}, {1347.9061, 13.640295, "Meta"} -> 
    {{53197, 44635, 150735}, {"", ""}}, {1364.9329, 13.639176, "Meta"} -> 
    {{86772, 77166, 80405}, {"", ""}}, {543.3015, 13.631483, "Meta"} -> 
    {{28749, 35307, 42094}, {"", ""}}, {268.2188, 13.641944, "Meta"} -> 
    {{663831, 586167, 533950}, {"", ""}}, {505.3532, 13.638071, "Meta"} -> 
    {{1848432, 2015061, 1967862}, {"", ""}}, 
   {1408.9576, 13.652612, "Meta"} -> {{65239, 76238, 1}, {"", ""}}, 
   {1418.8726, 13.652807, "Meta"} -> {{29587, 1, 1}, {"", ""}}, 
   {380.2538, 13.661728, "Meta"} -> {{29241, 36036, 32480}, 
     {"16,16-dimethyl-PGE2 [ C22 H36 O5, db=43.84, overall=21.92, Lipid \
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    {{654776, 653184, 588255}, {"", ""}}, {456.3809, 13.659138, "Meta"} -> 
    {{55742, 57891, 40755}, {"", ""}}, {1452.9851, 13.655355, "Meta"} -> 
    {{51058, 46536, 1}, {"", ""}}, {1462.9037, 13.658624, "Meta"} -> 
    {{38123, 1, 44479}, {"", ""}}, {1457.9413, 13.6546545, "Meta"} -> 
    {{1, 45629, 63248}, {"", ""}}, {535.364, 13.656915, "Meta"} -> 
    {{2511957, 2738451, 2447122}, {"", ""}}, {315.2885, 13.664111, "Meta"} -> 
    {{903635, 1244899, 1127350}, {"", ""}}, {255.2563, 13.666528, "Meta"} -> 
    {{5199723, 5023963, 5600680}, {"", ""}}, {1497.008, 13.670268, "Meta"} -> 
    {{1, 34059, 49855}, {"", ""}}, {300.3139, 13.665778, "Meta"} -> 
    {{56862, 71606, 68291}, {"", ""}}, {750.9837, 13.667515, "Meta"} -> 
    {{35559, 1, 35713}, {"", ""}}, {1541.0359, 13.675578, "Meta"} -> 
    {{27776, 24304, 29083}, {"", ""}}, {561.3118, 13.6438, "Meta"} -> 
    {{1, 29474, 498852}, {"", ""}}, {419.3251, 13.692777, "Meta"} -> 
    {{340134, 305867, 275309}, {"", ""}}, {585.5332, 13.689299, "Meta"} -> 
    {{774732, 187877, 180479}, {"", ""}}, {728.5284, 13.694607, "Meta"} -> 
    {{189693, 211767, 202524}, {" 1-heptadecanoyl, \
2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate [ C40 H75 N O8 P, \
db=67.05, overall=33.53, KEGG ID=, CAS ID= ]", ""}}, 
   {657.5026, 13.693542, "Meta"} -> {{30164, 34774, 29910}, {"", ""}}, 
   {745.5551, 13.695362, "Meta"} -> {{161042, 162064, 160114}, 
     {"GPEtn(18:0/18:1(9Z))[U] [ C41 H80 N O8 P, db=60.81, overall=30.41, \
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    {{243869, 230606, 228545}, {"", ""}}, {988.6896, 13.703807, "Meta"} -> 
    {{119521, 174343, 175492}, {"", ""}}, {481.3164, 13.701916, "Meta"} -> 
    {{7493266, 7683792, 8496597}, {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, \
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   {833.6076, 13.703074, "Meta"} -> {{1, 1, 338345}, {"", ""}}, 
   {742.5407, 13.7042, "Meta"} -> {{51493, 52363, 48218}, {"", ""}}, 
   {312.2665, 13.707916, "Meta"} -> {{1048913, 998672, 994700}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=99.80, overall=49.90, Lipid \
ID=, KEGG ID= ]", ""}}, {493.3533, 13.702571, "Meta"} -> 
    {{464485, 486276, 530919}, {"", ""}}, {758.5224, 13.708063, "Meta"} -> 
    {{239575, 206567, 200380}, {"", ""}}, {690.5228, 13.667901, "Meta"} -> 
    {{15730, 442055, 9656}, {"1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(7Z,10\
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    {{26391, 24108, 20436}, {"", ""}}, {330.2764, 13.70722, "Meta"} -> 
    {{3.43*^7, 3.15*^7, 2.92*^7}, {"1-hexadecanoyl-sn-glycerol [ C19 H38 O4, \
db=96.78, overall=48.39, KEGG ID=, CAS ID= ]", ""}}, 
   {1359.0566, 13.708065, "Meta"} -> {{386251, 293003, 264179}, {"", ""}}, 
   {698.5018, 13.707211, "Meta"} -> {{109619, 95936, 94820}, {"", ""}}, 
   {347.3029, 13.707416, "Meta"} -> {{3663913, 3304055, 3166598}, {"", ""}}, 
   {1179.8202, 13.7051325, "Meta"} -> {{349645, 322099, 319172}, {"", ""}}, 
   {708.5384, 13.711206, "Meta"} -> {{77521, 1, 59456}, {"", ""}}, 
   {446.2179, 13.704512, "Meta"} -> {{187448, 148022, 119252}, 
     {"Trp Glu Leu [ C22 H30 N4 O6, db=57.78, overall=28.89 ]", ""}}, 
   {428.2451, 13.707165, "Meta"} -> {{601182, 529853, 494018}, {"", ""}}, 
   {238.2293, 13.707944, "Meta"} -> {{288703, 281990, 268901}, 
     {"cis-11-Hexadecenal [ C16 H30 O, db=98.92, overall=49.46, KEGG ID=, CAS \
ID=53939-28-9 ]", "53939-28-9"}}, {443.2139, 13.701389, "Meta"} -> 
    {{175394, 148017, 161348}, {"", ""}}, {877.6339, 13.707833, "Meta"} -> 
    {{456022, 448030, 461477}, {"", ""}}, {390.3095, 13.707778, "Meta"} -> 
    {{869320, 985084, 911636}, {"", ""}}, {361.3191, 13.7076845, "Meta"} -> 
    {{83994, 86205, 86237}, {"", ""}}, {488.2747, 13.70686, "Meta"} -> 
    {{99611, 90025, 85813}, {"Hydrocortisone butyrate propionate [ C28 H40 \
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   {636.4941, 13.70936, "Meta"} -> {{133118, 156502, 147379}, {"", ""}}, 
   {1205.8732, 13.708405, "Meta"} -> {{146079, 150444, 152995}, {"", ""}}, 
   {327.2883, 13.575701, "Meta"} -> {{283313, 220871, 205072}, {"", ""}}, 
   {875.5992, 13.708193, "Meta"} -> {{100777, 129635, 113757}, {"", ""}}, 
   {920.6385, 13.710331, "Meta"} -> {{54662, 58621, 46008}, {"", ""}}, 
   {499.2362, 13.707289, "Meta"} -> {{72260, 66180, 59795}, {"", ""}}, 
   {660.4944, 13.711299, "Meta"} -> {{114087, 135111, 125989}, {"", ""}}, 
   {899.616, 13.707419, "Meta"} -> {{25109, 24240, 34477}, {"", ""}}, 
   {904.6328, 13.710101, "Meta"} -> {{631578, 700954, 608807}, {"", ""}}, 
   {860.6077, 13.708208, "Meta"} -> {{613373, 618569, 590128}, {"", ""}}, 
   {497.3691, 13.71389, "Meta"} -> {{1, 33899, 1}, {"", ""}}, 
   {921.6601, 13.713472, "Meta"} -> {{501652, 507557, 535650}, {"", ""}}, 
   {507.3686, 13.708972, "Meta"} -> {{6452478, 7739357, 7445221}, {"", ""}}, 
   {938.6867, 13.711778, "Meta"} -> {{19328, 21030, 16476}, {"", ""}}, 
   {284.2349, 13.715, "Meta"} -> {{159231, 189434, 188602}, 
     {"2-oxo-heptadecanoic acid [ C17 H32 O3, db=75.45, overall=37.73, Lipid \
ID=, KEGG ID= ]", ""}}, {1026.7396, 13.723305, "Meta"} -> 
    {{39547, 32954, 35979}, {"", ""}}, {335.3185, 13.717598, "Meta"} -> 
    {{81172, 108653, 94163}, {"", ""}}, {965.6862, 13.719054, "Meta"} -> 
    {{541569, 535108, 533572}, {"", ""}}, {982.7166, 13.718828, "Meta"} -> 
    {{1, 22524, 23177}, {"Thermozeaxanthin-17/ Zeaxanthin glucoside ester [ \
C63 H98 O8, db=32.76, overall=16.38, Lipid ID=LMPR01070109, KEGG ID= ]", 
      ""}}, {482.8427, 13.7168665, "Meta"} -> {{18397, 16736, 1}, {"", ""}}, 
   {992.6864, 13.722834, "Meta"} -> {{513555, 73837, 506697}, {"", ""}}, 
   {504.8561, 13.722639, "Meta"} -> {{22345, 22434, 20768}, {"", ""}}, 
   {1031.695, 13.723343, "Meta"} -> {{1, 83796, 76885}, {"", ""}}, 
   {1009.7122, 13.727061, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1058.6993, 13.73592, "Meta"} -> {{562571, 581985, 552023}, {"", ""}}, 
   {1053.7383, 13.736089, "Meta"} -> {{761718, 711401, 689031}, {"", ""}}, 
   {338.2818, 13.758765, "Meta"} -> {{29640, 30633, 28613}, {"", ""}}, 
   {1119.7476, 13.730624, "Meta"} -> {{98570, 93059, 88892}, {"", ""}}, 
   {1114.7919, 13.734138, "Meta"} -> {{44580, 49784, 41563}, {"", ""}}, 
   {1102.7205, 13.739172, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1141.7909, 13.747208, "Meta"} -> {{373739, 324138, 353386}, {"", ""}}, 
   {1158.8184, 13.738751, "Meta"} -> {{1, 61845, 76553}, {"", ""}}, 
   {1146.747, 13.749473, "Meta"} -> {{361804, 358272, 41302}, {"", ""}}, 
   {1202.8444, 13.744382, "Meta"} -> {{32544, 44888, 69939}, 
     {"Ganglioside GA2 (d18:1/26:1(17Z)) [ C64 H118 N2 O18, db=68.60, \
overall=34.30, HMP ID=HMDB04895, KEGG ID= ]", ""}}, 
   {1185.8173, 13.754801, "Meta"} -> {{327917, 313729, 371104}, {"", ""}}, 
   {1190.7725, 13.755764, "Meta"} -> {{350330, 349727, 1}, {"", ""}}, 
   {1011.7083, 13.866961, "Meta"} -> {{290789, 182955, 207546}, {"", ""}}, 
   {1234.7983, 13.766872, "Meta"} -> {{239513, 250062, 236974}, {"", ""}}, 
   {639.3065, 13.762452, "Meta"} -> {{174054, 139665, 178688}, 
     {"Protorifamycin I [ C35 H45 N O10, db=55.35, overall=27.68, Lipid \
ID=LMPK01000050, KEGG ID=C12246 ]", ""}}, {1229.8431, 13.765171, "Meta"} -> 
    {{210709, 1, 348698}, {"", ""}}, {636.3007, 13.76603, "Meta"} -> 
    {{287368, 207135, 318257}, {"", ""}}, {1246.8712, 13.768721, "Meta"} -> 
    {{1, 98087, 1}, {"", ""}}, {692.323, 13.76518, "Meta"} -> 
    {{72991, 73506, 68858}, {"", ""}}, {579.284, 13.767687, "Meta"} -> 
    {{272206, 196348, 134720}, 
     {" [ C33 H41 N O8, db=0.00, overall=31.75, mfg=63.50 ]", ""}}, 
   {621.3346, 13.749526, "Meta"} -> {{138206, 138480, 609219}, {"", ""}}, 
   {1273.8698, 13.773914, "Meta"} -> {{190630, 184382, 289445}, {"", ""}}, 
   {1030.7332, 13.746588, "Meta"} -> {{1334135, 2516167, 2399900}, {"", ""}}, 
   {576.2868, 13.770852, "Meta"} -> {{124184, 90159, 96368}, {"", ""}}, 
   {1068.696, 13.763723, "Meta"} -> {{528793, 282427, 214110}, {"", ""}}, 
   {1278.8254, 13.776278, "Meta"} -> {{229580, 239029, 206250}, {"", ""}}, 
   {561.3117, 13.775912, "Meta"} -> {{2067524, 1958064, 1}, {"", ""}}, 
   {1339.8785, 13.780607, "Meta"} -> {{80036, 79833, 80052}, {"", ""}}, 
   {567.3707, 13.7708, "Meta"} -> {{13289, 14071, 1}, {"", ""}}, 
   {1322.8525, 13.784331, "Meta"} -> {{115057, 140706, 143115}, {"", ""}}, 
   {1334.9222, 13.792586, "Meta"} -> {{51828, 46841, 55251}, {"", ""}}, 
   {889.551, 13.800771, "Meta"} -> {{25154, 49710, 9534}, {"", ""}}, 
   {1099.6451, 13.763071, "Meta"} -> {{16964, 1, 606462}, {"", ""}}, 
   {523.3653, 13.780612, "Meta"} -> {{1.4*^8, 1.19*^8, 1.32*^8}, 
     {"1-hexadecyl-2-acetyl-glycero-3-phosphocholine [ C26 H54 N O7 P, \
db=85.55, overall=42.77, KEGG ID=, CAS ID=74389-68-7 ]", "74389-68-7"}}, 
   {865.5515, 13.794698, "Meta"} -> {{97266, 80899, 51526}, {"", ""}}, 
   {1058.2133, 13.77028, "Meta"} -> {{244048, 166886, 197908}, {"", ""}}, 
   {1608.04, 13.77903, "Meta"} -> {{1869341, 1779303, 1809915}, {"", ""}}, 
   {2637.7942, 13.772834, "Meta"} -> {{1, 396252, 374544}, {"", ""}}, 
   {1046.7288, 13.771727, "Meta"} -> {{6.73*^7, 6.94*^7, 7.33*^7}, {"", ""}}, 
   {171.108, 13.797971, "Meta"} -> {{590123, 205717, 614668}, {"", ""}}, 
   {1366.8785, 13.790698, "Meta"} -> {{1, 122023, 121844}, {"", ""}}, 
   {398.1857, 13.79976, "Meta"} -> {{365595, 1, 1}, {"", ""}}, 
   {2131.4026, 13.776884, "Meta"} -> {{1723309, 1622837, 1850387}, {"", ""}}, 
   {321.2667, 13.802221, "Meta"} -> {{46983, 48964, 47888}, 
     {"Anandamide (18:3, n-6) [ C20 H35 N O2, db=98.53, overall=49.26, Lipid \
ID=LMFA08040003, KEGG ID= ]", ""}}, {1378.9491, 13.801964, "Meta"} -> 
    {{32282, 61311, 63486}, {"", ""}}, {1410.9069, 13.799668, "Meta"} -> 
    {{76036, 1, 1}, {"", ""}}, {326.2219, 13.802333, "Meta"} -> 
    {{69777, 67943, 61611}, {"3a-OH Desogestrel [ C22 H30 O2, db=65.76, \
overall=32.88, KEGG ID=, CAS ID=70805-84-4 ]", "70805-84-4"}}, 
   {495.3673, 13.825147, "Meta"} -> {{293127, 336656, 392416}, {"", ""}}, 
   {1405.9486, 13.799881, "Meta"} -> {{145791, 61458, 155643}, {"", ""}}, 
   {345.2666, 13.810092, "Meta"} -> {{1, 45422, 29955}, 
     {"Anandamide (20:5, n-3) [ C22 H35 N O2, db=85.48, overall=42.74, Lipid \
ID=LMFA08040008, KEGG ID= ]", ""}}, {328.2401, 13.805646, "Meta"} -> 
    {{71893, 60150, 74657}, {"3,9,15-Docosatriynoic acid [ C22 H32 O2, \
db=84.46, overall=42.23, Lipid ID=, KEGG ID= ]", ""}}, 
   {1422.9753, 13.803818, "Meta"} -> {{40761, 48706, 39928}, {"", ""}}, 
   {1330.8604, 13.71827, "Meta"} -> {{102084, 99715, 92471}, {"", ""}}, 
   {1454.929, 13.805271, "Meta"} -> {{52285, 53813, 52317}, {"", ""}}, 
   {536.5281, 13.803085, "Meta"} -> {{32708, 24221, 47718}, {"", ""}}, 
   {587.4892, 13.8079605, "Meta"} -> {{19537, 26605, 1}, {"", ""}}, 
   {1449.9736, 13.80397, "Meta"} -> {{1, 54052, 76782}, {"", ""}}, 
   {341.3044, 13.817472, "Meta"} -> {{2106486, 2233161, 2948789}, {"", ""}}, 
   {354.3241, 13.811501, "Meta"} -> {{30167, 41067, 46996}, {"", ""}}, 
   {281.2712, 13.812444, "Meta"} -> {{2.48*^7, 2.82*^7, 4.2*^7}, 
     {"Oleamide [ C18 H35 N O, db=95.12, overall=47.56, KEGG ID=, CAS \
ID=301-02-0 ]", "301-02-0"}}, {1467.0009, 13.8062, "Meta"} -> 
    {{51847, 52357, 1}, {"", ""}}, {312.3138, 13.81286, "Meta"} -> 
    {{77096, 84085, 85492}, {"", ""}}, {841.5513, 13.813585, "Meta"} -> 
    {{1, 455394, 1}, {"", ""}}, {401.3155, 13.8185835, "Meta"} -> 
    {{112318, 131033, 126431}, {"", ""}}, {326.3296, 13.8149185, "Meta"} -> 
    {{331810, 426268, 406158}, {"", ""}}, {856.5198, 13.818584, "Meta"} -> 
    {{93293, 107783, 1}, {"", ""}}, {1511.0262, 13.81507, "Meta"} -> 
    {{1, 44477, 1}, {"", ""}}, {376.2038, 13.804546, "Meta"} -> 
    {{116807, 145688, 438975}, {"fluorometholone [ C22 H29 F O4, db=59.20, \
overall=29.60, KEGG ID=, CAS ID=426-13-1 ]", "426-13-1"}}, 
   {887.643, 13.824824, "Meta"} -> {{198465, 197814, 196621}, {"", ""}}, 
   {262.2296, 13.822443, "Meta"} -> {{56135, 59541, 56945}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=86.48, overall=43.24, Lipid \
ID=, KEGG ID= ]", ""}}, {1555.054, 13.823677, "Meta"} -> 
    {{1, 30926, 49251}, {"", ""}}, {1599.0771, 13.82784, "Meta"} -> 
    {{1, 36496, 33924}, {"", ""}}, {393.1754, 13.824646, "Meta"} -> 
    {{1, 44289, 1}, 
     {"Thr His His [ C16 H23 N7 O5, db=62.69, overall=31.35 ]", ""}}, 
   {280.2402, 13.821678, "Meta"} -> {{1, 745312, 1}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.73, overall=42.36, \
Lipid ID=, KEGG ID= ]", ""}}, {404.272, 13.831084, "Meta"} -> 
    {{38300, 1, 34327}, {"", ""}}, {318.1871, 13.828527, "Meta"} -> 
    {{39620, 34107, 31902}, {"", ""}}, {336.1598, 13.82475, "Meta"} -> 
    {{93684, 89565, 69104}, {"", ""}}, {742.5544, 13.829965, "Meta"} -> 
    {{63849, 62313, 61972}, {"", ""}}, {264.2449, 13.830167, "Meta"} -> 
    {{198686, 195622, 186114}, {"9,12-octadecadienal [ C18 H32 O, db=93.91, \
overall=46.95, Lipid ID=, KEGG ID= ]", ""}}, {362.2315, 13.826858, "Meta"} -> 
    {{20782, 15607, 1}, {"", ""}}, {637.5649, 13.826834, "Meta"} -> 
    {{576732, 559228, 556460}, {"", ""}}, {1604.0345, 13.831274, "Meta"} -> 
    {{52063, 50583, 44775}, {"", ""}}, {917.6042, 13.830849, "Meta"} -> 
    {{294116, 296145, 279221}, {"", ""}}, {454.2603, 13.837749, "Meta"} -> 
    {{200347, 186023, 185871}, {"18-acetoxy-PGF2alpha-11-acetate [ C24 H38 \
O8, db=67.62, overall=33.81, Lipid ID=LMFA03010098, KEGG ID= ]", ""}}, 
   {1643.1019, 13.833906, "Meta"} -> {{29537, 21520, 33589}, {"", ""}}, 
   {356.2921, 13.832834, "Meta"} -> {{6356096, 5698116, 6273540}, 
     {"1-(11E-octadecenoyl)-rac-glycerol [ C21 H40 O4, db=98.15, \
overall=49.07, KEGG ID=, CAS ID= ]", ""}}, {416.3249, 13.833222, "Meta"} -> 
    {{203433, 284548, 262708}, {"", ""}}, {296.2716, 13.837235, "Meta"} -> 
    {{1371749, 1703779, 1331424}, {"10-methylene-octadecanoic acid [ C19 H36 \
O2, db=78.33, overall=39.16, Lipid ID=, KEGG ID= ]", ""}}, 
   {595.554, 13.834362, "Meta"} -> {{389500, 484507, 369314}, {"", ""}}, 
   {331.3083, 13.839138, "Meta"} -> {{23208, 32695, 32811}, {"", ""}}, 
   {1648.0614, 13.838582, "Meta"} -> {{62867, 34506, 53741}, {"", ""}}, 
   {314.2819, 13.838939, "Meta"} -> {{1, 1, 683019}, 
     {"2-hydroxy-nonadecanoic acid [ C19 H38 O3, db=79.99, overall=40.00, \
Lipid ID=, KEGG ID= ]", ""}}, {359.3394, 13.840835, "Meta"} -> 
    {{44237, 62527, 46161}, {"", ""}}, {550.5438, 13.840639, "Meta"} -> 
    {{274866, 244643, 248143}, {"", ""}}, {345.3232, 13.839605, "Meta"} -> 
    {{10812, 14146, 11025}, {"", ""}}, {351.3135, 13.836865, "Meta"} -> 
    {{25632, 37576, 43934}, {"Anandamide (20:2, n-6) [ C22 H41 N O2, \
db=87.77, overall=43.88, Lipid ID=LMFA08040002, KEGG ID= ]", ""}}, 
   {589.5048, 13.843435, "Meta"} -> {{158643, 151680, 154047}, {"", ""}}, 
   {593.5384, 13.859751, "Meta"} -> {{79169, 95180, 85994}, {"", ""}}, 
   {486.3916, 13.846743, "Meta"} -> {{30508, 30053, 30767}, {"", ""}}, 
   {269.2717, 13.850058, "Meta"} -> {{331451, 338989, 523634}, {"", ""}}, 
   {958.5066, 13.858265, "Meta"} -> {{144514, 137363, 124932}, {"", ""}}, 
   {312.2662, 13.867914, "Meta"} -> {{1906850, 2082022, 887781}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=84.87, overall=42.44, Lipid \
ID=, KEGG ID= ]", ""}}, {376.1632, 13.867001, "Meta"} -> 
    {{116108, 116243, 45007}, {"", ""}}, {875.5037, 13.871608, "Meta"} -> 
    {{180973, 169135, 144601}, {"", ""}}, {807.4806, 13.867861, "Meta"} -> 
    {{2043708, 1812596, 1283124}, {"", ""}}, {268.2402, 13.870259, "Meta"} -> 
    {{1, 34963, 51576}, {"9-heptadecylenic acid [ C17 H32 O2, db=81.99, \
overall=40.99, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {360.1681, 13.864379, "Meta"} -> {{59593, 52356, 44957}, 
     {"Leu Asn Asp [ C14 H24 N4 O7, db=34.15, overall=17.08 ]", ""}}, 
   {914.4793, 13.871298, "Meta"} -> {{35194, 46649, 35955}, {"", ""}}, 
   {418.1739, 13.870945, "Meta"} -> {{42603, 63544, 55859}, 
     {"Nimodipine [ C21 H26 N2 O7, db=61.54, overall=30.77, KEGG ID=C07267, \
CAS ID=66085-59-4 ]", "66085-59-4"}}, {662.2484, 13.876678, "Meta"} -> 
    {{1, 42822, 32934}, {"", ""}}, {1103.5966, 13.872333, "Meta"} -> 
    {{2173514, 2116380, 2025536}, {"", ""}}, {346.1531, 13.871804, "Meta"} -> 
    {{454214, 478706, 407079}, {"", ""}}, {390.1788, 13.869486, "Meta"} -> 
    {{274908, 266398, 255121}, 
     {"Asp Lys Glu [ C15 H26 N4 O8, db=62.57, overall=31.29 ]", ""}}, 
   {1153.6309, 13.874, "Meta"} -> {{381036, 380067, 362159}, {"", ""}}, 
   {328.1421, 13.873054, "Meta"} -> {{228712, 204393, 184680}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=67.54, overall=33.77 ]", ""}}, 
   {357.3227, 13.877501, "Meta"} -> {{1, 99980, 81974}, {"", ""}}, 
   {294.0996, 13.875195, "Meta"} -> {{96771, 89832, 81995}, {"", ""}}, 
   {1135.623, 13.873161, "Meta"} -> {{236557, 251741, 241836}, {"", ""}}, 
   {239.1157, 13.8723, "Meta"} -> {{1, 20164, 1}, {"", ""}}, 
   {1189.6305, 13.875001, "Meta"} -> {{38801, 31458, 25425}, {"", ""}}, 
   {420.1898, 13.874806, "Meta"} -> {{1, 17395, 1}, 
     {"Gln His His [ C17 H24 N8 O5, db=42.13, overall=21.06 ]", ""}}, 
   {670.265, 13.873167, "Meta"} -> {{34823, 36092, 32203}, {"", ""}}, 
   {580.2324, 13.874638, "Meta"} -> {{3723460, 3964272, 3511711}, {"", ""}}, 
   {640.2526, 13.874076, "Meta"} -> {{113252, 104829, 28305}, {"", ""}}, 
   {612.2593, 13.875, "Meta"} -> {{3317964, 3244389, 2962724}, {"", ""}}, 
   {644.284, 13.875222, "Meta"} -> {{6648692, 6992540, 6245559}, {"", ""}}, 
   {1180.491, 13.877401, "Meta"} -> {{1, 29753, 57352}, {"", ""}}, 
   {1254.532, 13.877502, "Meta"} -> {{52301, 1, 28624}, {"", ""}}, 
   {864.3481, 13.876028, "Meta"} -> {{109269, 101898, 88537}, {"", ""}}, 
   {282.1003, 13.8762245, "Meta"} -> {{496650, 467738, 421270}, {"", ""}}, 
   {706.3213, 13.875223, "Meta"} -> {{404532, 394377, 353863}, {"", ""}}, 
   {1242.5096, 13.876581, "Meta"} -> {{34992, 41383, 29399}, {"", ""}}, 
   {582.2468, 13.8751, "Meta"} -> {{6008883, 1, 3995966}, 
     {"Biliverdin IX [ C33 H34 N4 O6, db=45.81, overall=22.91, HMP \
ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", " 114-25-0"}}, 
   {896.3746, 13.876728, "Meta"} -> {{136113, 132329, 108575}, {"", ""}}, 
   {720.3007, 13.875195, "Meta"} -> {{244897, 238642, 201198}, {"", ""}}, 
   {908.3734, 13.876348, "Meta"} -> {{1, 64348, 1}, {"", ""}}, 
   {636.1519, 13.87985, "Meta"} -> {{53019, 46690, 40840}, {"", ""}}, 
   {943.4197, 13.876037, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1192.4886, 13.875974, "Meta"} -> {{524151, 133264, 506318}, {"", ""}}, 
   {1226.5306, 13.877594, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {314.1267, 13.875557, "Meta"} -> {{569878, 583170, 516978}, {"", ""}}, 
   {748.2959, 13.87564, "Meta"} -> {{99425, 91328, 67952}, {"", ""}}, 
   {734.3167, 13.875916, "Meta"} -> {{524802, 685338, 590531}, {"", ""}}, 
   {970.4116, 13.876899, "Meta"} -> {{70106, 1, 20371}, {"", ""}}, 
   {867.3674, 13.8762865, "Meta"} -> {{1, 173893, 124694}, {"", ""}}, 
   {926.3857, 13.876266, "Meta"} -> {{1, 97412, 84405}, {"", ""}}, 
   {583.2517, 13.87564, "Meta"} -> {{2314000, 2880753, 2300476}, {"", ""}}, 
   {956.396, 13.876835, "Meta"} -> {{50408, 24123, 37899}, {"", ""}}, 
   {676.308, 13.876473, "Meta"} -> {{87157, 120900, 104069}, {"", ""}}, 
   {929.4038, 13.876501, "Meta"} -> {{73820, 70153, 56041}, {"", ""}}, 
   {672.2801, 13.875572, "Meta"} -> {{1762664, 1642562, 1455197}, {"", ""}}, 
   {493.2209, 13.875945, "Meta"} -> {{269920, 234322, 212118}, {"", ""}}, 
   {658.2643, 13.874903, "Meta"} -> {{327721, 318122, 285654}, {"", ""}}, 
   {1151.4832, 13.877482, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {961.4299, 13.877784, "Meta"} -> {{19195, 1, 13374}, {"", ""}}, 
   {912.4054, 13.877669, "Meta"} -> {{290723, 262742, 1}, {"", ""}}, 
   {762.3116, 13.876194, "Meta"} -> {{344786, 289703, 239538}, {"", ""}}, 
   {975.4451, 13.8780365, "Meta"} -> {{37644, 38294, 1}, {"", ""}}, 
   {509.216, 13.87594, "Meta"} -> {{45078, 46469, 43349}, {"", ""}}, 
   {491.2056, 13.876723, "Meta"} -> {{242976, 254957, 248245}, 
     {"Tyr Phe Tyr [ C27 H29 N3 O6, db=65.06, overall=32.53 ]", ""}}, 
   {881.3826, 13.877259, "Meta"} -> {{34119, 31076, 1}, {"", ""}}, 
   {1193.664, 13.879387, "Meta"} -> {{381879, 383621, 385374}, {"", ""}}, 
   {582.7497, 13.876502, "Meta"} -> {{186722, 349410, 260869}, {"", ""}}, 
   {495.208, 13.876967, "Meta"} -> {{1, 34867, 35413}, 
     {"Trp Tyr Gln [ C25 H29 N5 O6, db=56.92, overall=28.46 ]", ""}}, 
   {616.2538, 13.877678, "Meta"} -> {{95201, 93384, 84336}, {"", ""}}, 
   {479.205, 13.876445, "Meta"} -> {{63174, 65941, 59365}, 
     {"Nicardipine [ C26 H29 N3 O6, db=70.81, overall=35.41, KEGG ID=C07264, \
CAS ID=55985-32-5 ]", "55985-32-5"}}, {878.365, 13.876516, "Meta"} -> 
    {{13044, 12626, 1}, {"", ""}}, {567.2211, 13.876649, "Meta"} -> 
    {{113679, 116332, 120477}, {"", ""}}, {644.7861, 13.877095, "Meta"} -> 
    {{43529, 16339, 1}, {"", ""}}, {461.195, 13.876152, "Meta"} -> 
    {{24593, 25381, 19449}, 
     {"Gln Trp Glu [ C21 H27 N5 O7, db=34.78, overall=17.39 ]", ""}}, 
   {298.1317, 13.878472, "Meta"} -> {{487768, 513157, 361204}, {"", ""}}, 
   {352.1394, 13.880392, "Meta"} -> {{1, 24791, 18084}, 
     {"Asn Tyr Gly [ C15 H20 N4 O6, db=68.82, overall=34.41 ]", ""}}, 
   {284.1158, 13.879252, "Meta"} -> {{177792, 256053, 209653}, {"", ""}}, 
   {477.1898, 13.879307, "Meta"} -> {{144513, 140996, 129068}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=74.18, overall=37.09, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {833.4963, 13.885234, "Meta"} -> 
    {{271716, 282062, 249762}, {"", ""}}, {1045.5562, 13.8920965, "Meta"} -> 
    {{27775, 41817, 23132}, {"", ""}}, {1095.5912, 13.892453, "Meta"} -> 
    {{1, 38646, 1}, {"", ""}}, {1048.5735, 13.892926, "Meta"} -> 
    {{53487, 1, 1}, {"", ""}}, {779.4516, 13.885543, "Meta"} -> 
    {{103046, 92138, 86628}, {"", ""}}, {918.6492, 13.8966, "Meta"} -> 
    {{47784, 1, 59184}, {"", ""}}, {935.6756, 13.895752, "Meta"} -> 
    {{368146, 359961, 370560}, {"", ""}}, {891.6496, 13.895306, "Meta"} -> 
    {{278594, 262774, 281910}, {"C24 Sulfatide [ C48 H93 N O11 S, db=88.42, \
overall=44.21, Lipid ID=LMSP06020013, KEGG ID= ]", ""}}, 
   {749.4387, 13.89454, "Meta"} -> {{44881, 38507, 30696}, {"", ""}}, 
   {830.5967, 13.895909, "Meta"} -> {{193908, 231606, 210816}, {"", ""}}, 
   {847.6232, 13.896607, "Meta"} -> {{172302, 165691, 1}, {"", ""}}, 
   {979.702, 13.896585, "Meta"} -> {{445837, 350790, 483452}, {"", ""}}, 
   {1050.7274, 13.9000435, "Meta"} -> {{65746, 47869, 1}, {"", ""}}, 
   {1028.6847, 13.898851, "Meta"} -> {{499121, 640668, 517998}, {"", ""}}, 
   {984.6579, 13.897518, "Meta"} -> {{482353, 1, 511123}, {"", ""}}, 
   {1023.7278, 13.898656, "Meta"} -> {{476437, 496167, 494149}, {"", ""}}, 
   {962.6753, 13.896331, "Meta"} -> {{75503, 558617, 67266}, {"", ""}}, 
   {803.597, 13.898972, "Meta"} -> {{106053, 97685, 96591}, {"", ""}}, 
   {1006.7014, 13.900152, "Meta"} -> {{1, 85602, 94115}, {"", ""}}, 
   {1067.7542, 13.901264, "Meta"} -> {{478166, 419692, 460753}, {"", ""}}, 
   {1094.7538, 13.901059, "Meta"} -> {{78632, 79316, 84491}, {"", ""}}, 
   {465.3222, 13.902696, "Meta"} -> {{2666926, 3192604, 3372179}, {"", ""}}, 
   {1138.7803, 13.90453, "Meta"} -> {{43214, 48791, 62223}, {"", ""}}, 
   {478.8288, 13.901231, "Meta"} -> {{31386, 29547, 30847}, {"", ""}}, 
   {996.7292, 13.904589, "Meta"} -> {{48582, 53449, 45528}, 
     {"TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,\
13Z,16Z,19Z))[iso3] [ C67 H96 O6, db=48.00, overall=24.00, Lipid \
ID=LMGL03012576, KEGG ID= ]", ""}}, {1160.7618, 13.905588, "Meta"} -> 
    {{508406, 485132, 90206}, {"", ""}}, {503.2691, 13.903366, "Meta"} -> 
    {{86846, 82063, 96008}, {"", ""}}, {522.8552, 13.904035, "Meta"} -> 
    {{116834, 1, 111666}, {"", ""}}, {1001.6842, 13.904192, "Meta"} -> 
    {{101377, 98846, 90321}, {"", ""}}, {511.8639, 13.905617, "Meta"} -> 
    {{28360, 32708, 32301}, {"", ""}}, {544.8687, 13.907429, "Meta"} -> 
    {{148964, 148668, 149122}, {"", ""}}, {489.8508, 13.903928, "Meta"} -> 
    {{18854, 212786, 21664}, {"", ""}}, {1050.6691, 13.904042, "Meta"} -> 
    {{1, 1, 163472}, {"", ""}}, {1040.753, 13.906883, "Meta"} -> 
    {{81987, 76099, 84186}, {"", ""}}, {549.3798, 13.901501, "Meta"} -> 
    {{3716487, 4123821, 4584501}, {"", ""}}, {555.8901, 13.907157, "Meta"} -> 
    {{57163, 979999, 60651}, {"", ""}}, {1248.8145, 13.916356, "Meta"} -> 
    {{324890, 49635, 1}, {"", ""}}, {591.8776, 13.913758, "Meta"} -> 
    {{59039, 64702, 57582}, {"", ""}}, {591.3753, 13.914109, "Meta"} -> 
    {{124297, 123606, 117701}, {"", ""}}, {1172.8337, 13.914706, "Meta"} -> 
    {{198250, 222511, 221601}, {"", ""}}, {643.9424, 13.918862, "Meta"} -> 
    {{444629, 456011, 489980}, {"", ""}}, {1243.8593, 13.917862, "Meta"} -> 
    {{807430, 819482, 816014}, {"", ""}}, {1216.8606, 13.917243, "Meta"} -> 
    {{282162, 267769, 282528}, {"", ""}}, {1292.8436, 13.918814, "Meta"} -> 
    {{514103, 38804, 219149}, {"", ""}}, {482.3011, 13.906962, "Meta"} -> 
    {{134034, 1, 135161}, {"", ""}}, {1260.8875, 13.921888, "Meta"} -> 
    {{344432, 288810, 305939}, {"", ""}}, {1336.8698, 13.9245, "Meta"} -> 
    {{392681, 428876, 372713}, {"Ganglioside GA1 (d18:1/24:1(15Z)) [ C68 H124 \
N2 O23, db=60.87, overall=30.44, HMP ID=HMDB04906, KEGG ID= ]", ""}}, 
   {1304.9122, 13.925807, "Meta"} -> {{211460, 270275, 1}, {"", ""}}, 
   {1309.8685, 13.923631, "Meta"} -> {{376423, 1, 1}, {"", ""}}, 
   {1331.9117, 13.925688, "Meta"} -> {{695585, 684548, 720982}, {"", ""}}, 
   {1066.7665, 13.906301, "Meta"} -> {{196264, 306203, 277520}, {"", ""}}, 
   {1348.9387, 13.928513, "Meta"} -> {{317884, 348882, 292211}, {"", ""}}, 
   {1380.8955, 13.928842, "Meta"} -> {{156476, 374454, 368372}, {"", ""}}, 
   {442.2608, 13.933564, "Meta"} -> {{168478, 139226, 145774}, {"", ""}}, 
   {1375.9377, 13.930394, "Meta"} -> {{600363, 103649, 607943}, {"", ""}}, 
   {1392.9644, 13.933, "Meta"} -> {{253886, 239957, 264538}, {"", ""}}, 
   {1424.9208, 13.932688, "Meta"} -> {{88733, 93261, 1}, {"", ""}}, 
   {1419.9648, 13.935295, "Meta"} -> {{532117, 531506, 568390}, {"", ""}}, 
   {344.2923, 13.939112, "Meta"} -> {{4851217, 4504492, 4264741}, 
     {"1-heptadecanoyl-rac-glycerol [ C20 H40 O4, db=98.52, overall=49.26, \
KEGG ID=, CAS ID=68002-72-2 ]", "68002-72-2"}}, 
   {1468.948, 13.937098, "Meta"} -> {{100851, 270617, 274468}, {"", ""}}, 
   {1436.9904, 13.938028, "Meta"} -> {{241227, 241150, 253482}, {"", ""}}, 
   {1463.9899, 13.9394865, "Meta"} -> {{424587, 52789, 456916}, {"", ""}}, 
   {466.3654, 13.941461, "Meta"} -> {{1, 319724, 395000}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=76.50, overall=38.25, \
Lipid ID=LMST01030128, KEGG ID= ]", ""}}, {1481.017, 13.942124, "Meta"} -> 
    {{223883, 218856, 214169}, {"", ""}}, {1508.0137, 13.944414, "Meta"} -> 
    {{34577, 33217, 43017}, {"", ""}}, {222.1615, 13.993, "Meta"} -> 
    {{54253, 1, 49949}, {"", ""}}, {1529.9991, 13.944249, "Meta"} -> 
    {{284820, 292598, 315914}, {"", ""}}, {283.2872, 13.950055, "Meta"} -> 
    {{259070, 231277, 263944}, {"Stearamide [ C18 H37 N O, db=99.52, \
overall=49.76, KEGG ID=, CAS ID=124-26-5 ]", "124-26-5"}}, 
   {1525.0424, 13.947517, "Meta"} -> {{207867, 1, 209482}, {"", ""}}, 
   {386.1755, 13.956785, "Meta"} -> {{20425, 1, 1}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=50.71, overall=25.36 ]", ""}}, 
   {1623.0092, 13.9477415, "Meta"} -> {{71208, 1, 92215}, {"", ""}}, 
   {428.2901, 13.938, "Meta"} -> {{1, 192309, 173074}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=61.60, \
overall=30.80, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {1618.051, 13.949916, "Meta"} -> {{198938, 1, 236669}, {"", ""}}, 
   {1569.0697, 13.946124, "Meta"} -> {{148858, 116742, 180418}, {"", ""}}, 
   {467.3376, 13.954553, "Meta"} -> {{265188, 294883, 292470}, {"", ""}}, 
   {347.2825, 13.963371, "Meta"} -> {{1, 195249, 207510}, 
     {"(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide [ C22 \
H37 N O2, db=98.13, overall=49.07, KEGG ID=, CAS ID= ]", ""}}, 
   {330.2557, 13.959749, "Meta"} -> {{1, 1, 1}, {"4,7,10,13,16-docosapentaeno\
ic acid [ C22 H34 O2, db=84.17, overall=42.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {1662.0767, 13.946449, "Meta"} -> {{127924, 140762, 30784}, {"", ""}}, 
   {510.3319, 13.973654, "Meta"} -> {{1, 59570, 67099}, 
     {"11-(3-acetoxy-1-propynyl)-1alpha,25-dihydroxy-9,11-didehydrovitamin D3 \
/ 11-(3-acetoxy-1-propynyl)-1 [ C32 H46 O5, db=44.65, overall=22.33, Lipid \
ID=LMST03020511, KEGG ID= ]", ""}}, {452.3502, 13.976595, "Meta"} -> 
    {{120138, 40617, 149832}, {"5beta-Cholestane-3alpha,7alpha,12alpha,25,26-\
pentol [ C27 H48 O5, db=62.10, overall=31.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {1657.1215, 13.958542, "Meta"} -> {{82849, 102595, 22274}, {"", ""}}, 
   {1750.128, 13.9647875, "Meta"} -> {{1, 106088, 42019}, {"", ""}}, 
   {220.146, 13.986333, "Meta"} -> {{40208, 265471, 28295}, {"", ""}}, 
   {329.2933, 13.898458, "Meta"} -> {{293261, 349278, 108053}, {"", ""}}, 
   {460.3175, 13.9654, "Meta"} -> {{137326, 107481, 121858}, 
     {"(24R)-1alpha,24,25,26-tetrahydroxyvitamin D2 / \
(24R)-1alpha,24,25,26-tetrahydroxyergocalciferol [ C28 H44 O5, db=68.24, \
overall=34.12, Lipid ID=LMST03010054, KEGG ID= ]", ""}}, 
   {1745.1743, 13.967287, "Meta"} -> {{84597, 80685, 1}, {"", ""}}, 
   {1701.1473, 13.966741, "Meta"} -> {{1, 95315, 98199}, {"", ""}}, 
   {402.2765, 13.957289, "Meta"} -> {{1, 27696, 1}, 
     {"1alpha-hydroxy-26,27-dinorvitamin D3 25-carboxylic acid / \
1alpha-hydroxy-26,27-dinorcholecalciferol [ C25 H38 O4, db=52.81, \
overall=26.41, Lipid ID=LMST03020025, KEGG ID= ]", ""}}, 
   {440.3505, 13.985816, "Meta"} -> {{351544, 397676, 333501}, {"", ""}}, 
   {484.3164, 13.975783, "Meta"} -> {{223205, 32776, 142804}, {"", ""}}, 
   {653.3246, 13.973182, "Meta"} -> {{75346, 49830, 49016}, {"", ""}}, 
   {334.2482, 13.893001, "Meta"} -> {{1, 1, 1106404}, 
     {"Tetrahydrodeoxycorticosterone [ C21 H34 O3, db=65.74, overall=32.87, \
HMP ID=HMDB00879, KEGG ID= ]", ""}}, {1319.1475, 13.976606, "Meta"} -> 
    {{25301, 23410, 20229}, {"", ""}}, {386.3394, 13.973793, "Meta"} -> 
    {{202203, 203911, 198219}, {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, \
db=89.09, overall=44.55, KEGG ID=, CAS ID= ]", ""}}, 
   {831.6982, 13.975789, "Meta"} -> {{30773, 21152, 21323}, {"", ""}}, 
   {806.668, 13.976223, "Meta"} -> {{328387, 292329, 271596}, {"", ""}}, 
   {866.6982, 13.981547, "Meta"} -> {{1, 16585, 17568}, {"", ""}}, 
   {354.2087, 13.977749, "Meta"} -> {{472278, 422513, 410101}, {"", ""}}, 
   {224.1773, 13.974033, "Meta"} -> {{12482, 15702, 13741}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=68.79, overall=34.39, \
Lipid ID=, KEGG ID= ]", ""}}, {270.2557, 13.976111, "Meta"} -> 
    {{623359, 566757, 574924}, {"10-methyl-hexadecanoic acid [ C17 H34 O2, \
db=99.62, overall=49.81, Lipid ID=, KEGG ID= ]", ""}}, 
   {1062.9073, 13.976445, "Meta"} -> {{55600, 48144, 47648}, {"", ""}}, 
   {597.4186, 13.975773, "Meta"} -> {{84937, 51455, 52632}, {"", ""}}, 
   {238.2292, 13.975834, "Meta"} -> {{338702, 321160, 309984}, 
     {"cis-11-Hexadecenal [ C16 H30 O, db=98.78, overall=49.39, KEGG ID=, CAS \
ID=53939-28-9 ]", "53939-28-9"}}, {256.2401, 13.976223, "Meta"} -> 
    {{1566486, 1435160, 1435730}, {"2-propyl-tridecanoic acid [ C16 H32 O2, \
db=86.75, overall=43.37, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2322, 13.97861, "Meta"} -> {{231756, 212904, 197287}, {"", ""}}, 
   {386.2337, 13.980557, "Meta"} -> {{1, 19464, 19714}, 
     {"1-tridecanoyl-sn-glycero-3-phosphate [ C16 H37 N O7 P, db=38.62, \
overall=19.31, KEGG ID=, CAS ID= ]", ""}}, {568.3997, 13.977068, "Meta"} -> 
    {{80904, 40274, 40122}, {"1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phospha\
te (ammonium salt) [ C28 H59 N O8 P, db=52.38, overall=26.19, KEGG ID=, CAS \
ID= ]", ""}}, {374.1813, 13.978594, "Meta"} -> {{40791, 31776, 28049}, 
     {"Glu Asn Leu [ C15 H26 N4 O7, db=57.08, overall=28.54 ]", ""}}, 
   {401.2, 13.978515, "Meta"} -> {{171054, 129170, 113883}, {"", ""}}, 
   {429.2065, 13.981425, "Meta"} -> {{53990, 43975, 38075}, {"", ""}}, 
   {444.2765, 13.977774, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {610.4531, 13.979807, "Meta"} -> {{266253, 252759, 220460}, {"", ""}}, 
   {897.0775, 13.963102, "Meta"} -> {{28902, 55652, 31887}, {"", ""}}, 
   {420.3661, 13.976656, "Meta"} -> {{22462, 1, 25739}, {"", ""}}, 
   {294.1873, 13.977543, "Meta"} -> {{79049, 47640, 48941}, 
     {"Sodium tetradecyl sulfate [ C14 H30 O4 S, db=82.16, overall=41.08, \
KEGG ID=, CAS ID=139-88-8 ]", "139-88-8"}}, {556.3739, 13.973735, "Meta"} -> 
    {{191486, 179407, 175552}, {"", ""}}, {540.3787, 13.981038, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {500.3862, 13.978946, "Meta"} -> 
    {{134771, 128228, 137995}, {"", ""}}, {1838.1816, 13.978887, "Meta"} -> 
    {{39357, 50433, 35535}, {"", ""}}, {273.2666, 13.976639, "Meta"} -> 
    {{93465, 81595, 82587}, {"C16 Sphinganine [ C16 H35 N O2, db=89.23, \
overall=44.61, Lipid ID=LMSP01040001, KEGG ID= ]", ""}}, 
   {370.2578, 13.982139, "Meta"} -> {{77327, 66017, 67227}, {"", ""}}, 
   {470.3612, 13.984445, "Meta"} -> {{182715, 279626, 117482}, {"", ""}}, 
   {307.287, 13.978666, "Meta"} -> {{389827, 305310, 201185}, {"", ""}}, 
   {369.1855, 13.979225, "Meta"} -> {{54240, 50902, 47443}, {"", ""}}, 
   {520.4126, 13.9819145, "Meta"} -> {{410417, 331206, 346224}, {"", ""}}, 
   {560.4047, 13.986311, "Meta"} -> {{250873, 1, 173488}, {"", ""}}, 
   {685.3513, 13.989969, "Meta"} -> {{43503, 41132, 37852}, {"", ""}}, 
   {600.436, 13.992064, "Meta"} -> {{151102, 84118, 58740}, {"", ""}}, 
   {276.2085, 13.992001, "Meta"} -> {{62646, 1, 47003}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=76.40, overall=38.20, Lipid \
ID=, KEGG ID= ]", ""}}, {294.2182, 13.990687, "Meta"} -> 
    {{45607, 45139, 41783}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, \
db=70.71, overall=35.35, Lipid ID=, KEGG ID= ]", ""}}, 
   {486.3319, 13.971826, "Meta"} -> {{278478, 216567, 229249}, {"", ""}}, 
   {1764.1438, 14.027258, "Meta"} -> {{142348, 54657, 138320}, {"", ""}}, 
   {306.2556, 13.999083, "Meta"} -> {{476265, 425592, 392540}, 
     {"ETrE(11Z, 14Z, 17Z) [ C20 H34 O2, db=67.35, overall=33.67, Lipid \
ID=LMFA01030378, KEGG ID= ]", ""}}, {507.3694, 13.993544, "Meta"} -> 
    {{2903393, 2634197, 4533999}, {"", ""}}, {323.2821, 13.996278, "Meta"} -> 
    {{199727, 172361, 153598}, {"(9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-die\
namide [ C20 H37 N O2, db=99.15, overall=49.57, KEGG ID=, CAS ID= ]", ""}}, 
   {490.3655, 14.002969, "Meta"} -> {{695909, 687315, 1256504}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=61.55, \
overall=30.77, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {362.1752, 14.002638, "Meta"} -> {{47748, 39661, 29912}, 
     {"Met Gly Arg [ C13 H26 N6 O4 S, db=56.03, overall=28.02 ]", ""}}, 
   {360.2646, 14.006222, "Meta"} -> {{54386, 52064, 1}, 
     {"1alpha,23-dihydroxy-24,25,26,27-tetranorvitamin D3 / \
1alpha,23-dihydroxy-24,25,26,27-tetranorcholeca [ C23 H36 O3, db=49.92, \
overall=24.96, Lipid ID=LMST03020020, KEGG ID= ]", ""}}, 
   {627.5055, 14.012999, "Meta"} -> {{24302, 1, 1}, {"", ""}}, 
   {388.2586, 14.0047655, "Meta"} -> {{22490, 1, 25666}, 
     {"7,12-Dioxo-5beta-cholan-24-oic Acid [ C24 H36 O4, db=55.81, \
overall=27.91, Lipid ID=, KEGG ID= ]", ""}}, {472.3551, 13.985233, "Meta"} -> 
    {{68218, 42385, 47999}, {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehyd\
ro-23-oxavitamin D3 / 26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=61.77, \
overall=30.89, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {420.3237, 13.996353, "Meta"} -> {{69538, 76512, 81724}, 
     {"1alpha,2alpha,25-trihydroxy-19-norvitamin D3 / \
1alpha,2alpha,25-trihydroxy-19-norcholecalciferolchol [ C26 H44 O4, db=77.07, \
overall=38.53, Lipid ID=LMST03020547, KEGG ID= ]", ""}}, 
   {512.3477, 14.046452, "Meta"} -> {{164288, 143098, 1}, 
     {"ZK 159222 [ C32 H48 O5, db=50.94, overall=25.47, Lipid \
ID=LMST03020621, KEGG ID= ]", ""}}, {545.3171, 14.010888, "Meta"} -> 
    {{40622, 52254, 50236}, {"", ""}}, {469.2862, 14.021042, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {259.2508, 14.031133, "Meta"} -> 
    {{49679, 58320, 54052}, {"", ""}}, {242.2245, 14.033613, "Meta"} -> 
    {{847576, 1125644, 1049708}, {"Isopentadecylic acid [ C15 H30 O2, \
db=99.40, overall=49.70, KEGG ID=, CAS ID= ]", ""}}, 
   {295.2873, 14.061223, "Meta"} -> {{1, 420625, 407833}, {"", ""}}, 
   {408.1761, 14.037353, "Meta"} -> {{965894, 4926119, 508278}, 
     {"Trp Gly Phe [ C22 H24 N4 O4, db=41.37, overall=20.69 ]", ""}}, 
   {298.2508, 14.035623, "Meta"} -> {{39197, 53784, 31245}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=71.18, overall=35.59, \
Lipid ID=, KEGG ID= ]", ""}}, {454.3265, 13.978308, "Meta"} -> 
    {{379214, 1, 5246030}, {"GPCho(O-7:0/O-7:0) [ C22 H49 N O6 P, db=80.05, \
overall=40.03, Lipid ID=LMGP01040080, KEGG ID= ]", ""}}, 
   {449.3718, 14.041364, "Meta"} -> {{1194925, 978746, 1140717}, {"", ""}}, 
   {171.108, 14.037002, "Meta"} -> {{1, 517358, 1}, {"", ""}}, 
   {353.3292, 14.065957, "Meta"} -> {{34711, 140459, 69800}, 
     {"(Z)-N-(2-hydroxyethyl)icos-11-enamide [ C22 H43 N O2, db=53.55, \
overall=26.77, KEGG ID=, CAS ID= ]", ""}}, {358.3083, 14.061032, "Meta"} -> 
    {{9282000, 2540995, 1}, {"1-octadecanoyl-rac-glycerol [ C21 H42 O4, \
db=91.49, overall=45.75, KEGG ID=, CAS ID= ]", ""}}, 
   {534.3899, 14.062283, "Meta"} -> {{1501043, 1009165, 1}, {"", ""}}, 
   {1218.8057, 14.057057, "Meta"} -> {{329967, 577124, 564320}, {"", ""}}, 
   {642.91, 14.060259, "Meta"} -> {{92723, 99439, 93896}, {"", ""}}, 
   {1186.8503, 14.059189, "Meta"} -> {{322588, 312798, 306404}, {"", ""}}, 
   {1103.753, 14.057482, "Meta"} -> {{211736, 1, 213285}, {"", ""}}, 
   {1169.8226, 14.057669, "Meta"} -> {{778831, 783588, 795589}, {"", ""}}, 
   {1262.8317, 14.057412, "Meta"} -> {{298306, 307032, 312535}, 
     {"Ganglioside GM3 (d18:1/24:1(15Z)) [ C65 H118 N2 O21, db=64.86, \
overall=32.43, HMP ID=HMDB04848, KEGG ID= ]", ""}}, 
   {1152.795, 14.05788, "Meta"} -> {{36100, 1, 351377}, {"", ""}}, 
   {1064.743, 14.0559025, "Meta"} -> {{377053, 396805, 359641}, {"", ""}}, 
   {1213.8492, 14.058307, "Meta"} -> {{391636, 871539, 427816}, {"", ""}}, 
   {1020.7168, 14.055375, "Meta"} -> {{292915, 313109, 1}, {"", ""}}, 
   {507.8499, 14.0589695, "Meta"} -> {{1, 43767, 44989}, {"", ""}}, 
   {1125.7968, 14.0580015, "Meta"} -> {{1, 803329, 744726}, {"", ""}}, 
   {1108.7697, 14.056641, "Meta"} -> {{31305, 42553, 29174}, {"", ""}}, 
   {485.8368, 14.06136, "Meta"} -> {{1, 14683, 1}, {"", ""}}, 
   {1230.8765, 14.069205, "Meta"} -> {{27607, 266775, 219016}, {"", ""}}, 
   {1306.8593, 14.060386, "Meta"} -> {{587453, 1, 566046}, {"", ""}}, 
   {1318.9282, 14.062551, "Meta"} -> {{368194, 379570, 377209}, {"", ""}}, 
   {1257.8752, 14.0591755, "Meta"} -> {{962742, 951286, 924906}, {"", ""}}, 
   {1037.7437, 14.060363, "Meta"} -> {{338132, 315990, 365867}, {"", ""}}, 
   {1054.7722, 14.059851, "Meta"} -> {{61567, 83573, 72346}, {"", ""}}, 
   {1350.8864, 14.060532, "Meta"} -> {{550550, 510747, 536406}, {"", ""}}, 
   {1362.9545, 14.064612, "Meta"} -> {{385124, 374256, 396692}, {"", ""}}, 
   {1389.9536, 14.06309, "Meta"} -> {{111094, 103618, 107277}, {"", ""}}, 
   {1142.8239, 14.061389, "Meta"} -> {{202867, 216608, 219608}, {"", ""}}, 
   {976.6912, 14.068707, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {422.375, 14.068999, "Meta"} -> {{1, 1, 24652}, {"", ""}}, 
   {993.7174, 14.063914, "Meta"} -> {{260558, 256023, 277587}, {"", ""}}, 
   {1438.9374, 14.065999, "Meta"} -> {{151570, 142041, 1}, {"", ""}}, 
   {1433.9799, 14.066055, "Meta"} -> {{190968, 695741, 707906}, {"", ""}}, 
   {949.6916, 14.066196, "Meta"} -> {{191276, 184741, 207073}, {"", ""}}, 
   {1451.0062, 14.068264, "Meta"} -> {{260496, 380917, 331264}, {"", ""}}, 
   {932.6646, 14.065879, "Meta"} -> {{194697, 1, 213534}, {"", ""}}, 
   {470.2924, 14.073814, "Meta"} -> {{75941, 1, 105694}, {"", ""}}, 
   {905.6649, 14.069608, "Meta"} -> {{137045, 116487, 138997}, {"", ""}}, 
   {1522.0323, 14.071529, "Meta"} -> {{30511, 483728, 570577}, {"", ""}}, 
   {888.6409, 14.076768, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1482.9642, 14.067459, "Meta"} -> {{354651, 119389, 113064}, {"", ""}}, 
   {1174.7784, 14.05864, "Meta"} -> {{398395, 593379, 253438}, {"", ""}}, 
   {1526.9904, 14.071257, "Meta"} -> {{258020, 45454, 282755}, {"", ""}}, 
   {1495.0323, 14.071646, "Meta"} -> {{1, 307549, 317482}, {"", ""}}, 
   {861.6387, 14.075389, "Meta"} -> {{55942, 64813, 51802}, {"", ""}}, 
   {405.3454, 14.078472, "Meta"} -> {{266529, 109616, 260586}, {"", ""}}, 
   {316.2402, 14.079582, "Meta"} -> {{2829818, 3581202, 3203986}, 
     {"pregnenolone [ C21 H32 O2, db=98.88, overall=49.44, KEGG ID=, CAS \
ID=1852-38-6 ]", "1852-38-6"}}, {376.2724, 14.080198, "Meta"} -> 
    {{526564, 687119, 641911}, {"", ""}}, {284.2138, 14.07936, "Meta"} -> 
    {{50337, 75334, 84219}, {"11-cis-Retinaldehyde [ C20 H28 O, db=83.12, \
overall=41.56, HMP ID=HMDB02152, KEGG ID= ]", ""}}, 
   {333.2666, 14.079747, "Meta"} -> {{2216003, 2504113, 2385423}, {"", ""}}, 
   {805.0406, 14.07626, "Meta"} -> {{35312, 30962, 1}, {"", ""}}, 
   {529.4339, 14.081344, "Meta"} -> {{53377, 44108, 53737}, {"", ""}}, 
   {1632.0676, 14.078387, "Meta"} -> {{343223, 302741, 333465}, {"", ""}}, 
   {1583.085, 14.078301, "Meta"} -> {{1, 266725, 1}, {"", ""}}, 
   {1627.1108, 14.078733, "Meta"} -> {{211545, 1, 152323}, {"", ""}}, 
   {1676.0933, 14.06074, "Meta"} -> {{272533, 60062, 258630}, {"", ""}}, 
   {1715.1598, 14.067248, "Meta"} -> {{36345, 160053, 34016}, {"", ""}}, 
   {948.6653, 14.082221, "Meta"} -> {{49678, 1, 46195}, {"", ""}}, 
   {264.2448, 14.087555, "Meta"} -> {{81428, 75990, 67195}, 
     {"9,12-octadecadienal [ C18 H32 O, db=69.08, overall=34.54, Lipid ID=, \
KEGG ID= ]", ""}}, {1813.1312, 14.077153, "Meta"} -> 
    {{40276, 1, 93038}, {"", ""}}, {546.5012, 14.088577, "Meta"} -> 
    {{18765, 20489, 15764}, {"", ""}}, {367.1936, 14.089778, "Meta"} -> 
    {{40609, 30215, 1}, {"N-Desethylquinagolide [ C18 H29 N3 O3 S, db=63.48, \
overall=31.74, KEGG ID=, CAS ID= ]", ""}}, {602.4589, 14.089057, "Meta"} -> 
    {{391824, 362058, 355276}, {"", ""}}, {1808.1718, 14.068594, "Meta"} -> 
    {{63161, 60229, 106760}, {"", ""}}, {884.7153, 14.088696, "Meta"} -> 
    {{124408, 116999, 112788}, {"", ""}}, {380.2247, 14.088887, "Meta"} -> 
    {{402953, 379555, 377652}, {"", ""}}, {282.2564, 14.088139, "Meta"} -> 
    {{2206301, 939714, 2098682}, {"5-octadecylenic acid [ C18 H34 O2, \
db=98.70, overall=49.35, Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, 
   {486.3322, 14.0887165, "Meta"} -> {{589140, 558732, 564771}, {"", ""}}, 
   {868.7374, 14.088824, "Meta"} -> {{22261, 20111, 18319}, {"", ""}}, 
   {299.2823, 14.088805, "Meta"} -> {{354544, 297880, 322387}, 
     {"3-Dehydrosphinganine [ C18 H37 N O2, db=99.55, overall=49.78, KEGG \
ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {338.1754, 14.0895, "Meta"} -> {{1, 56634, 1}, {"2,3-Dinor-6,15-diketo-13,\
14-dihydro-PGF1a [ C18 H26 O6, db=42.53, overall=21.26, KEGG ID=, CAS ID= ]", 
      ""}}, {586.4805, 14.089943, "Meta"} -> {{31237, 35141, 57090}, 
     {"3',4'-Dihydrorhodovibrin [ C41 H62 O2, db=20.76, overall=10.38, Lipid \
ID=LMPR01070139, KEGG ID= ]", ""}}, {440.2498, 14.08963, "Meta"} -> 
    {{55341, 55383, 49922}, {"", ""}}, {404.1936, 14.090585, "Meta"} -> 
    {{25965, 20982, 19696}, 
     {"Lys Glu Glu [ C16 H28 N4 O8, db=45.07, overall=22.53 ]", ""}}, 
   {398.202, 14.090389, "Meta"} -> {{86765, 73257, 81579}, 
     {"His Arg Ser [ C15 H26 N8 O5, db=43.07, overall=21.53 ]", ""}}, 
   {395.1929, 14.089863, "Meta"} -> {{136611, 122292, 101755}, {"", ""}}, 
   {1720.1184, 14.061962, "Meta"} -> {{161474, 230280, 1}, {"", ""}}, 
   {434.3862, 14.09189, "Meta"} -> {{61898, 62486, 69258}, {"", ""}}, 
   {320.2035, 14.088819, "Meta"} -> {{74096, 58463, 51282}, {"", ""}}, 
   {357.2667, 14.066502, "Meta"} -> {{63144, 1, 1}, {"", ""}}, 
   {1803.2148, 14.080516, "Meta"} -> {{82426, 25878, 37760}, {"", ""}}, 
   {1847.2441, 14.088383, "Meta"} -> {{94067, 64750, 92531}, {"", ""}}, 
   {1852.1967, 14.0926, "Meta"} -> {{79252, 78221, 65625}, {"", ""}}, 
   {1896.2227, 14.094833, "Meta"} -> {{50065, 65273, 56412}, {"", ""}}, 
   {662.4873, 14.106453, "Meta"} -> {{39151, 61745, 58303}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaeno\
yl)-sn-glycerol [ C43 H66 O5, db=68.73, overall=34.37, KEGG ID=, CAS ID= ]", 
      ""}}, {498.3687, 14.089807, "Meta"} -> {{45088, 40229, 45653}, 
     {"(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a,24\
b,24c-trihomo-20-epivitamin D3 [ C32 H50 O4, db=49.58, overall=24.79, Lipid \
ID=LMST03020516, KEGG ID= ]", ""}}, {509.3843, 14.0923605, "Meta"} -> 
    {{6872715, 8050613, 8755141}, {"", ""}}, {466.3657, 14.105546, "Meta"} -> 
    {{323573, 255612, 393784}, {"6alpha-Hydroxycastasterone [ C28 H50 O5, \
db=82.12, overall=41.06, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {292.2399, 14.107418, "Meta"} -> {{913629, 572905, 540650}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=85.29, overall=42.65, \
HMP ID=HMDB00412, KEGG ID= ]", ""}}, {580.4317, 14.10757, "Meta"} -> 
    {{74128, 72499, 85015}, {"GPCho(O-18:0/4:0) [ C30 H63 N O7 P, db=63.24, \
overall=31.62, Lipid ID=LMGP01020116, KEGG ID= ]", ""}}, 
   {352.2723, 14.1108885, "Meta"} -> {{109095, 189474, 158607}, {"", ""}}, 
   {309.2668, 14.111446, "Meta"} -> {{487641, 576794, 491892}, 
     {"Dicyclomine [ C19 H35 N O2, db=99.35, overall=49.67, KEGG ID=C06951, \
CAS ID=77-19-0 ]", "77-19-0"}}, {222.1617, 14.1038265, "Meta"} -> 
    {{149777, 1, 1}, {"", ""}}, {960.7672, 14.101361, "Meta"} -> 
    {{203236, 188435, 158919}, {"", ""}}, {499.2963, 14.121678, "Meta"} -> 
    {{73055, 48149, 90887}, {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, \
db=89.57, overall=44.79, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {484.378, 14.105919, "Meta"} -> {{1, 34978, 1}, {"", ""}}, 
   {420.3042, 14.12719, "Meta"} -> {{59547, 57307, 179091}, 
     {"3D,7D,11D-Phytanic acid [ C29 H40 O2, db=55.51, overall=27.76, HMP \
ID=HMDB00417, KEGG ID= ]", ""}}, {696.4838, 14.114749, "Meta"} -> 
    {{21863, 198335, 228722}, {"", ""}}, {514.423, 14.141911, "Meta"} -> 
    {{59918, 57692, 63192}, {"", ""}}, {678.511, 14.121193, "Meta"} -> 
    {{256227, 291488, 296637}, {"GPCho(14:0/14:0[U]) [ C36 H73 N O8 P, \
db=73.61, overall=36.81, Lipid ID=LMGP01010478, KEGG ID= ]", ""}}, 
   {895.5533, 14.136167, "Meta"} -> {{68656, 53738, 46626}, {"", ""}}, 
   {422.34, 14.145611, "Meta"} -> {{335493, 109707, 118482}, {"", ""}}, 
   {340.298, 14.148811, "Meta"} -> {{2015421, 1857471, 1852016}, 
     {"20-oxo-heneicosanoic acid [ C21 H40 O3, db=96.35, overall=48.18, Lipid \
ID=, KEGG ID= ]", ""}}, {352.334, 14.145808, "Meta"} -> 
    {{56946, 50913, 1}, {"14Z-tricosenoic acid [ C23 H44 O2, db=81.01, \
overall=40.50, Lipid ID=, KEGG ID= ]", ""}}, 
   {1036.8195, 14.135778, "Meta"} -> {{273871, 254795, 251496}, {"", ""}}, 
   {741.6305, 14.144343, "Meta"} -> {{2490346, 2146815, 2153502}, {"", ""}}, 
   {384.3049, 14.142907, "Meta"} -> {{72242, 44911, 42547}, {"", ""}}, 
   {403.3659, 14.148665, "Meta"} -> {{381600, 392705, 376692}, {"", ""}}, 
   {772.5821, 14.131801, "Meta"} -> {{1, 64285, 65425}, 
     {"GPCho(16:0/19:2(9Z,12Z)[U]) [ C43 H83 N O8 P, db=73.13, overall=36.57, \
Lipid ID=LMGP01010610, KEGG ID= ]", ""}}, {764.5958, 14.144802, "Meta"} -> 
    {{237604, 197325, 210338}, {"", ""}}, {1054.792, 14.132248, "Meta"} -> 
    {{125875, 116197, 1}, {"", ""}}, {266.2608, 14.148749, "Meta"} -> 
    {{581022, 515007, 497947}, {"3E,13Z-octadecadien-1-ol [ C18 H34 O, \
db=97.90, overall=48.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {375.3339, 14.148222, "Meta"} -> {{1.09*^7, 9847554, 9585184}, {"", ""}}, 
   {358.3078, 14.148471, "Meta"} -> {{7.72*^7, 7.01*^7, 6.59*^7}, 
     {"1-octadecanoyl-rac-glycerol [ C21 H42 O4, db=98.40, overall=49.20, \
KEGG ID=, CAS ID= ]", ""}}, {418.3406, 14.1476965, "Meta"} -> 
    {{2988850, 3244170, 3174189}, {"1alpha,25-dihydroxy-2alpha-methyl-19-norv\
itamin D3 / 1alpha,25-dihydroxy-2alpha-methyl-19-norcholeca [ C27 H46 O3, \
db=67.02, overall=33.51, Lipid ID=LMST03020553, KEGG ID= ]", ""}}, 
   {639.5801, 14.147194, "Meta"} -> {{113187, 91050, 93495}, {"", ""}}, 
   {1200.9023, 14.160806, "Meta"} -> {{91429, 88556, 78201}, {"", ""}}, 
   {1112.877, 14.148324, "Meta"} -> {{1806390, 1646128, 1568139}, {"", ""}}, 
   {814.5844, 14.151257, "Meta"} -> {{458630, 404196, 428389}, {"", ""}}, 
   {769.529, 14.1481085, "Meta"} -> {{468007, 380111, 331509}, {"", ""}}, 
   {1471.1823, 14.148783, "Meta"} -> {{1645086, 1436113, 1323154}, {"", ""}}, 
   {343.3194, 14.142917, "Meta"} -> {{235509, 352687, 284113}, {"", ""}}, 
   {527.2676, 14.149583, "Meta"} -> {{235708, 209976, 202261}, {"", ""}}, 
   {456.2764, 14.150944, "Meta"} -> {{1130192, 1076383, 1011897}, {"", ""}}, 
   {480.2429, 14.151414, "Meta"} -> {{92378, 77913, 70714}, {"", ""}}, 
   {389.3503, 14.147706, "Meta"} -> {{164561, 148558, 157485}, {"", ""}}, 
   {424.2965, 14.153561, "Meta"} -> {{1, 110167, 1}, 
     {"(22E,24E,26E)-1alpha,26b-dihydroxy-22,23,24,25,26,26a-hexadehydro-26a,\
26b-dihomo-27-norvitamin D3 / [ C28 H40 O3, db=44.45, overall=22.22, Lipid \
ID=LMST03020312, KEGG ID= ]", ""}}, {454.3656, 14.155731, "Meta"} -> 
    {{1, 54399, 58253}, {"", ""}}, {564.5589, 14.166798, "Meta"} -> 
    {{18633, 24615, 20965}, {"", ""}}, {426.327, 14.133777, "Meta"} -> 
    {{34223, 1, 51797}, {"", ""}}, {846.402, 14.16888, "Meta"} -> 
    {{1, 339551, 69978}, {"", ""}}, {934.6778, 14.200471, "Meta"} -> 
    {{82022, 105185, 68002}, {"", ""}}, {466.1108, 14.175235, "Meta"} -> 
    {{31469, 609959, 147998}, {"", ""}}, {285.267, 14.18239, "Meta"} -> 
    {{206302, 314164, 288522}, {"C17 Sphingosine [ C17 H35 N O2, db=93.80, \
overall=46.90, Lipid ID=LMSP01040002, KEGG ID= ]", ""}}, 
   {436.3163, 14.176588, "Meta"} -> {{399149, 187649, 427333}, 
     {"4,4-difluoro-1alpha-hydroxyvitamin D3 / \
4,4-difluoro-1alpha-hydroxycholecalciferol [ C27 H42 F2 O2, db=84.08, \
overall=42.04, Lipid ID=LMST03020138, KEGG ID= ]", ""}}, 
   {268.24, 14.176917, "Meta"} -> {{799520, 1825503, 1751599}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=92.99, overall=46.49, Lipid \
ID=LMFA01030060, KEGG ID= ]", ""}}, {446.3394, 14.189685, "Meta"} -> 
    {{329579, 1055247, 978406}, {"1alpha,25-dihydroxy-11beta-methoxyvitamin \
D3 / 1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, \
db=80.19, overall=40.09, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {398.3198, 14.172886, "Meta"} -> {{71979, 73462, 62087}, 
     {"(22Z)-1beta-hydroxy-22,23-didehydrovitamin D_3 / \
(22Z)-1beta-hydroxy-22,23-didehydrocholecalciferol [ C27 H42 O2, db=77.14, \
overall=38.57, Lipid ID=LMST03020151, KEGG ID= ]", ""}}, 
   {434.2678, 14.188435, "Meta"} -> {{71874, 72850, 66485}, 
     {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, db=84.90, overall=42.45, \
KEGG ID=, CAS ID=114883-29-3 ]", "114883-29-3"}}, 
   {1364.8975, 14.194389, "Meta"} -> {{436975, 417022, 129192}, 
     {"Ganglioside GA1 (d18:1/26:1(17Z)) [ C70 H128 N2 O23, db=75.48, \
overall=37.74, HMP ID=HMDB04907, KEGG ID= ]", ""}}, 
   {1447.9952, 14.192001, "Meta"} -> {{629116, 640545, 606166}, {"", ""}}, 
   {1492.0217, 14.194573, "Meta"} -> {{132002, 1, 577359}, {"", ""}}, 
   {412.2971, 14.195, "Meta"} -> {{76108, 74068, 52440}, 
     {"Calcipotriene [ C27 H40 O3, db=80.60, overall=40.30, KEGG ID=, CAS \
ID=112965-21-6 ]", "112965-21-6"}}, {1496.9803, 14.19325, "Meta"} -> 
    {{288360, 62611, 298972}, {"", ""}}, {1420.9965, 14.197917, "Meta"} -> 
    {{289874, 304385, 328846}, {"", ""}}, {1624.1003, 14.197062, "Meta"} -> 
    {{47386, 49687, 70711}, {"", ""}}, {1817.2332, 14.199793, "Meta"} -> 
    {{106886, 103088, 1}, {"", ""}}, {1597.101, 14.198148, "Meta"} -> 
    {{241908, 254645, 270181}, {"", ""}}, {1408.9271, 14.194473, "Meta"} -> 
    {{388719, 376925, 383593}, {"", ""}}, {1861.258, 14.196594, "Meta"} -> 
    {{1, 79470, 73876}, {"", ""}}, {1403.9694, 14.194972, "Meta"} -> 
    {{609920, 197733, 202174}, {"", ""}}, {1452.9532, 14.194514, "Meta"} -> 
    {{125883, 342303, 338071}, {"", ""}}, {1509.0479, 14.196716, "Meta"} -> 
    {{263329, 302802, 304823}, {"", ""}}, {1465.0219, 14.194402, "Meta"} -> 
    {{256879, 306519, 344134}, {"", ""}}, {1553.0742, 14.197194, "Meta"} -> 
    {{235516, 258193, 266524}, {"", ""}}, {1562.9896, 14.198364, "Meta"} -> 
    {{246409, 222710, 195510}, {"", ""}}, {1536.0472, 14.194414, "Meta"} -> 
    {{104996, 538884, 107866}, {"", ""}}, {1376.9705, 14.195032, "Meta"} -> 
    {{322267, 1, 1}, {"", ""}}, {1602.0566, 14.198463, "Meta"} -> 
    {{333028, 364643, 354225}, {"", ""}}, {1729.1761, 14.185585, "Meta"} -> 
    {{149805, 46536, 158023}, {"", ""}}, {1695.0688, 14.195794, "Meta"} -> 
    {{142385, 140266, 131133}, {"", ""}}, {1734.1353, 14.190585, "Meta"} -> 
    {{242614, 50741, 1}, {"", ""}}, {1783.1184, 14.192629, "Meta"} -> 
    {{90156, 91249, 85014}, {"", ""}}, {649.9173, 14.20141, "Meta"} -> 
    {{71441, 65213, 73261}, {"", ""}}, {484.2849, 14.207409, "Meta"} -> 
    {{35304, 1, 26676}, {"GPGro(16:0/0:0)[U] [ C22 H45 O9 P, db=38.98, \
overall=19.49, Lipid ID=LMGP04050002, KEGG ID= ]", ""}}, 
   {1690.1084, 14.19928, "Meta"} -> {{294926, 263420, 287531}, {"", ""}}, 
   {1739.0945, 14.198658, "Meta"} -> {{128734, 125075, 122281}, {"", ""}}, 
   {1651.0406, 14.192531, "Meta"} -> {{152744, 163122, 156354}, {"", ""}}, 
   {1641.1263, 14.192625, "Meta"} -> {{215861, 1, 249433}, {"", ""}}, 
   {1271.8907, 14.198788, "Meta"} -> {{681461, 654326, 281799}, {"", ""}}, 
   {1773.2079, 14.200658, "Meta"} -> {{129411, 83450, 98640}, {"", ""}}, 
   {1822.1873, 14.202721, "Meta"} -> {{148347, 1, 1}, {"", ""}}, 
   {613.9317, 14.198634, "Meta"} -> {{427179, 458875, 1}, {"", ""}}, 
   {1866.2135, 14.191801, "Meta"} -> {{1, 57114, 1}, {"", ""}}, 
   {649.4179, 14.206075, "Meta"} -> {{121221, 120886, 1}, {"", ""}}, 
   {1276.8481, 14.198558, "Meta"} -> {{212325, 46774, 42305}, {"", ""}}, 
   {1288.9185, 14.196689, "Meta"} -> {{277521, 318652, 270621}, {"", ""}}, 
   {1871.1737, 14.199768, "Meta"} -> {{75055, 70863, 1}, {"", ""}}, 
   {1232.82, 14.198863, "Meta"} -> {{212593, 219940, 204899}, {"", ""}}, 
   {1827.1462, 14.200866, "Meta"} -> {{1, 85711, 89295}, {"", ""}}, 
   {1778.1611, 14.200578, "Meta"} -> {{183476, 1, 1}, {"", ""}}, 
   {1244.8917, 14.2033415, "Meta"} -> {{189651, 1, 1}, {"", ""}}, 
   {583.7208, 14.204438, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1249.8477, 14.203148, "Meta"} -> {{328690, 311314, 319364}, {"", ""}}, 
   {1200.8668, 14.204945, "Meta"} -> {{160913, 193283, 174837}, {"", ""}}, 
   {365.3013, 14.216527, "Meta"} -> {{55233, 69308, 72107}, {"", ""}}, 
   {1188.7935, 14.202201, "Meta"} -> {{223260, 212156, 219839}, {"", ""}}, 
   {605.8921, 14.206543, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1183.8381, 14.204194, "Meta"} -> {{246172, 518413, 532755}, {"", ""}}, 
   {1144.769, 14.20787, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {424.3908, 14.209613, "Meta"} -> {{55328, 47465, 42794}, {"", ""}}, 
   {554.3656, 14.166631, "Meta"} -> {{23691, 24848, 30860}, {"", ""}}, 
   {1156.8387, 14.209628, "Meta"} -> {{112534, 92452, 108633}, {"", ""}}, 
   {1139.8115, 14.206183, "Meta"} -> {{175718, 1, 392273}, {"", ""}}, 
   {406.3804, 14.209417, "Meta"} -> {{45571, 48380, 45348}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=79.02, \
overall=39.51, Lipid ID=, KEGG ID= ]", ""}}, {440.3857, 14.214, "Meta"} -> 
    {{66138, 249256, 271869}, {"", ""}}, {488.3482, 14.211999, "Meta"} -> 
    {{147223, 143359, 251927}, {"", ""}}, {1100.7411, 14.209909, "Meta"} -> 
    {{149992, 142605, 171055}, {"", ""}}, {514.4233, 14.214094, "Meta"} -> 
    {{42065, 45667, 45188}, {"", ""}}, {1116.779, 14.224416, "Meta"} -> 
    {{296620, 1, 479119}, {"", ""}}, {328.3451, 14.2168, "Meta"} -> 
    {{244956, 201554, 202851}, {"", ""}}, {283.2869, 14.21733, "Meta"} -> 
    {{1.12*^7, 8655309, 7770088}, {"Stearamide [ C18 H37 N O, db=96.78, \
overall=48.39, KEGG ID=, CAS ID=124-26-5 ]", "124-26-5"}}, 
   {431.3039, 14.195275, "Meta"} -> {{71116, 54186, 1}, {"", ""}}, 
   {1051.7598, 14.215641, "Meta"} -> {{114067, 117749, 124205}, {"", ""}}, 
   {1095.7856, 14.213828, "Meta"} -> {{1, 221367, 1}, {"", ""}}, 
   {1012.6886, 14.219436, "Meta"} -> {{66867, 63582, 62619}, {"", ""}}, 
   {1022.7088, 14.223097, "Meta"} -> {{26868, 1, 26841}, {"", ""}}, 
   {422.3747, 14.206687, "Meta"} -> {{63990, 28261, 30169}, {"", ""}}, 
   {1007.7326, 14.221612, "Meta"} -> {{106189, 88030, 111474}, {"", ""}}, 
   {518.3967, 14.2736025, "Meta"} -> {{165053, 163951, 171643}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=61.50, \
overall=30.75, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {1885.1884, 14.293885, "Meta"} -> {{89680, 79393, 110297}, {"", ""}}, 
   {325.2996, 14.210102, "Meta"} -> {{15459, 1, 25886}, 
     {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, db=43.24, overall=21.62, \
KEGG ID=, CAS ID= ]", ""}}, {612.4955, 14.216895, "Meta"} -> 
    {{1, 127211, 162017}, {"", ""}}, {624.5072, 14.226657, "Meta"} -> 
    {{283831, 1, 44125}, {"", ""}}, {538.3636, 14.237194, "Meta"} -> 
    {{583111, 179197, 191954}, {"", ""}}, {308.2716, 14.231286, "Meta"} -> 
    {{48921, 37182, 1}, {"5,11-Eicosadienoic acid [ C20 H36 O2, db=81.25, \
overall=40.62, Lipid ID=, KEGG ID= ]", ""}}, {278.2241, 14.218176, "Meta"} -> 
    {{118827, 84620, 76290}, {"beta-eleostearic acid [ C18 H30 O2, db=83.37, \
overall=41.68, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {963.7065, 14.228668, "Meta"} -> {{56063, 47224, 51694}, {"", ""}}, 
   {369.3356, 14.230916, "Meta"} -> {{321297, 455938, 573522}, {"", ""}}, 
   {309.3033, 14.23247, "Meta"} -> {{1687143, 1814829, 2238443}, {"", ""}}, 
   {538.4231, 14.239277, "Meta"} -> {{600772, 549352, 613826}, 
     {"GPCho(O-16:0/O-4:0[U]) [ C28 H61 N O6 P, db=76.53, overall=38.26, \
Lipid ID=LMGP01040044, KEGG ID= ]", ""}}, {520.413, 14.242222, "Meta"} -> 
    {{1336091, 1185571, 1149749}, {"", ""}}, {647.3629, 14.24356, "Meta"} -> 
    {{1, 1, 33856}, {"", ""}}, {591.3425, 14.248113, "Meta"} -> 
    {{51614, 1, 29493}, {"", ""}}, {636.3988, 14.250115, "Meta"} -> 
    {{25092, 1, 20021}, {"", ""}}, {1098.8239, 14.252852, "Meta"} -> 
    {{88065, 94749, 124374}, {"", ""}}, {594.3456, 14.25331, "Meta"} -> 
    {{1, 1, 1}, {"L-Urobilin [ C33 H46 N4 O6, db=35.51, overall=17.75, HMP \
ID=HMDB04159, KEGG ID= ]", ""}}, {256.24, 14.260359, "Meta"} -> 
    {{133850, 139580, 119576}, {"2-propyl-tridecanoic acid [ C16 H32 O2, \
db=78.64, overall=39.32, Lipid ID=, KEGG ID= ]", ""}}, 
   {387.3139, 14.260241, "Meta"} -> {{56043, 70363, 72788}, {"", ""}}, 
   {373.2977, 14.262173, "Meta"} -> {{92312, 90410, 97208}, 
     {"Arachidonoylmorpholine [ C24 H39 N O2, db=92.07, overall=46.03, Lipid \
ID=LMFA08020052, KEGG ID= ]", ""}}, {227.1883, 14.25888, "Meta"} -> 
    {{57564, 79757, 25163}, {"", ""}}, {310.2297, 14.267167, "Meta"} -> 
    {{119262, 137605, 147524}, {"Desogestrel [ C22 H30 O, db=87.12, \
overall=43.56, KEGG ID=, CAS ID=54024-22-5 ]", "54024-22-5"}}, 
   {402.2882, 14.268779, "Meta"} -> {{1688571, 2419864, 2242873}, {"", ""}}, 
   {359.2815, 14.267722, "Meta"} -> {{1.1*^7, 1.22*^7, 1.18*^7}, {"", ""}}, 
   {272.1768, 14.267366, "Meta"} -> {{25139, 30417, 28568}, 
     {"5,8,11-octadecatriynoic acid [ C18 H24 O2, db=55.08, overall=27.54, \
Lipid ID=, KEGG ID= ]", ""}}, {390.3498, 14.261562, "Meta"} -> 
    {{28051, 31232, 1}, {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, \
db=62.19, overall=31.10, Lipid ID=, KEGG ID= ]", ""}}, 
   {440.2236, 14.264084, "Meta"} -> {{55949, 43922, 47820}, {"", ""}}, 
   {458.1971, 14.265822, "Meta"} -> {{29681, 19667, 21701}, {"", ""}}, 
   {722.4598, 14.266535, "Meta"} -> {{26619, 27835, 24583}, {"", ""}}, 
   {698.4571, 14.2792225, "Meta"} -> {{44313, 39810, 30257}, {"", ""}}, 
   {1016.7246, 14.284067, "Meta"} -> {{1, 65517, 92253}, {"", ""}}, 
   {234.1617, 14.2904, "Meta"} -> {{59325, 85897, 64374}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=69.61, overall=34.81, Lipid \
ID=LMST03020448, KEGG ID= ]", ""}}, {416.2236, 14.286627, "Meta"} -> 
    {{67974, 66298, 61413}, {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 \
H32 O6, db=73.66, overall=36.83, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {134.1094, 14.287377, "Meta"} -> {{213479, 235447, 30487}, 
     {"p-Cymene [ C10 H14, db=86.48, overall=43.24, Lipid ID=LMPR01020045, \
KEGG ID=C06575 ]", ""}}, {349.2979, 14.288562, "Meta"} -> 
    {{103683, 93785, 91532}, {"Anandamide (20:3, n-3) [ C22 H39 N O2, \
db=74.63, overall=37.32, Lipid ID=LMFA08040005, KEGG ID= ]", ""}}, 
   {378.288, 14.29039, "Meta"} -> {{1228867, 1786147, 1571662}, {"", ""}}, 
   {1116.8062, 14.30288, "Meta"} -> {{198827, 100162, 141803}, {"", ""}}, 
   {286.2294, 14.290941, "Meta"} -> {{499107, 524616, 521556}, 
     {"11-cis-Retinol [ C20 H30 O, db=99.50, overall=49.75, Lipid \
ID=LMPR01090005, KEGG ID=C00899 ]", ""}}, {318.255, 14.292167, "Meta"} -> 
    {{1.79*^7, 6424395, 6077207}, {"Allopregnanolone [ C21 H34 O2, db=64.02, \
overall=32.01, Lipid ID=LMST02030130, KEGG ID= ]", ""}}, 
   {1310.9695, 14.290519, "Meta"} -> {{23525, 1, 20721}, {"", ""}}, 
   {434.1969, 14.290781, "Meta"} -> {{21211, 25636, 16015}, 
     {"Trp Met Val [ C21 H30 N4 O4 S, db=56.25, overall=28.12 ]", ""}}, 
   {335.2815, 14.294109, "Meta"} -> {{8606177, 9941768, 9564419}, {"", ""}}, 
   {468.3816, 14.297306, "Meta"} -> {{4404590, 4203594, 4378240}, {"", ""}}, 
   {1044.7502, 14.296883, "Meta"} -> {{175961, 77004, 125313}, {"", ""}}, 
   {674.4608, 14.296427, "Meta"} -> {{1, 39012, 1}, {"", ""}}, 
   {1022.7092, 14.298482, "Meta"} -> {{150961, 1, 150398}, {"", ""}}, 
   {1963.3293, 14.298726, "Meta"} -> {{26637, 20681, 31161}, {"", ""}}, 
   {577.3202, 14.3007145, "Meta"} -> {{28404, 35462, 26049}, 
     {"dihydro-alpha-ergocryptine [ C32 H43 N5 O5, db=34.25, overall=17.13, \
KEGG ID=, CAS ID= ]", ""}}, {1028.7731, 14.29594, "Meta"} -> 
    {{56022, 46828, 41261}, {"TG(22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z\
)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] [ C69 H104 O6, db=30.37, overall=15.19, \
Lipid ID=LMGL03012602, KEGG ID= ]", ""}}, {468.3218, 14.263261, "Meta"} -> 
    {{691524, 348817, 338524}, {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl\
)-9,11-didehydrovitamin D3 / 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, \
db=54.09, overall=27.05, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {1880.2303, 14.295215, "Meta"} -> {{80424, 63460, 79856}, {"", ""}}, 
   {562.4212, 14.302342, "Meta"} -> {{2407364, 2321979, 2622440}, {"", ""}}, 
   {952.666, 14.2989645, "Meta"} -> {{44139, 38451, 41721}, {"", ""}}, 
   {366.3494, 14.30147, "Meta"} -> {{27409, 1, 25210}, 
     {"Nervonic acid [ C24 H46 O2, db=79.78, overall=39.89, KEGG ID=, CAS \
ID=506-37-6 ]", "506-37-6"}}, {484.287, 14.291407, "Meta"} -> 
    {{51254, 29459, 30036}, {"", ""}}, {661.7696, 14.304938, "Meta"} -> 
    {{49351, 1, 54236}, {"", ""}}, {1836.2034, 14.306453, "Meta"} -> 
    {{171925, 1, 1}, {"", ""}}, {634.0719, 14.305877, "Meta"} -> 
    {{47711, 35422, 43172}, {"", ""}}, {603.0685, 14.306771, "Meta"} -> 
    {{52308, 47682, 46507}, {"", ""}}, {604.7206, 14.3060255, "Meta"} -> 
    {{37530, 37239, 33156}, {"", ""}}, {1748.1512, 14.302379, "Meta"} -> 
    {{229839, 219019, 288345}, {"", ""}}, {573.7178, 14.306849, "Meta"} -> 
    {{1, 1, 33020}, {"", ""}}, {1792.1765, 14.2968, "Meta"} -> 
    {{238117, 183614, 227565}, {"", ""}}, {60.0325, 14.311346, "Meta"} -> 
    {{516665, 643571, 625608}, {"Urea [ C H4 N2 O, db=87.29, overall=43.65, \
KEGG ID=C00086, CAS ID=57-13-6 ]", "57-13-6"}}, 
   {968.7169, 14.309335, "Meta"} -> {{84499, 92997, 79155}, {"", ""}}, 
   {1787.222, 14.30246, "Meta"} -> {{141197, 122815, 145258}, {"", ""}}, 
   {559.0424, 14.307241, "Meta"} -> {{29522, 1, 1}, {"", ""}}, 
   {590.0455, 14.306272, "Meta"} -> {{33092, 29608, 29793}, {"", ""}}, 
   {1831.2483, 14.304244, "Meta"} -> {{103567, 24159, 98001}, {"", ""}}, 
   {1743.1947, 14.307287, "Meta"} -> {{153249, 184005, 189315}, {"", ""}}, 
   {647.0946, 14.304667, "Meta"} -> {{49168, 25896, 48036}, {"", ""}}, 
   {1699.1694, 14.298276, "Meta"} -> {{179735, 1, 15687}, {"", ""}}, 
   {630.768, 14.307372, "Meta"} -> {{57069, 1, 38416}, {"", ""}}, 
   {1665.057, 14.310457, "Meta"} -> {{249241, 253113, 261037}, {"", ""}}, 
   {2012.3074, 14.281552, "Meta"} -> {{1, 1, 49388}, {"", ""}}, 
   {1924.2563, 14.306934, "Meta"} -> {{70078, 1, 72225}, {"", ""}}, 
   {1616.0728, 14.3115015, "Meta"} -> {{368177, 372740, 1}, {"", ""}}, 
   {1875.2738, 14.2969675, "Meta"} -> {{26697, 81928, 68771}, {"", ""}}, 
   {1550.0645, 14.311656, "Meta"} -> {{505560, 38251, 510635}, {"", ""}}, 
   {648.7473, 14.305516, "Meta"} -> {{39466, 1, 41405}, {"", ""}}, 
   {1523.0645, 14.315276, "Meta"} -> {{1, 274233, 289938}, {"", ""}}, 
   {1506.0385, 14.314786, "Meta"} -> {{527165, 496476, 522102}, {"", ""}}, 
   {1462.0117, 14.3143835, "Meta"} -> {{20749, 76718, 1}, {"", ""}}, 
   {298.2506, 14.321658, "Meta"} -> {{193454, 171442, 191030}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=73.00, overall=36.50, \
Lipid ID=, KEGG ID= ]", ""}}, {650.4595, 14.318721, "Meta"} -> 
    {{28321, 34275, 26086}, {"", ""}}, {1435.0125, 14.319297, "Meta"} -> 
    {{315187, 296676, 314948}, {"", ""}}, {152.1198, 14.325621, "Meta"} -> 
    {{26670, 26883, 21411}, {"Limonene-1,2-epoxide [ C10 H16 O, db=71.21, \
overall=35.61, Lipid ID=LMPR01020046, KEGG ID=C07271 ]", ""}}, 
   {1417.9856, 14.31611, "Meta"} -> {{559140, 1, 600679}, {"", ""}}, 
   {596.3593, 14.318885, "Meta"} -> {{130313, 106299, 77883}, {"", ""}}, 
   {1373.9594, 14.321887, "Meta"} -> {{546524, 553185, 538930}, {"", ""}}, 
   {944.712, 14.3222, "Meta"} -> {{112191, 124335, 78008}, {"", ""}}, 
   {196.1459, 14.323223, "Meta"} -> {{25798, 25793, 25541}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=55.50, overall=27.75, Lipid ID=, \
KEGG ID= ]", ""}}, {1329.9312, 14.326601, "Meta"} -> 
    {{86505, 93846, 92967}, {"", ""}}, {1346.9602, 14.32572, "Meta"} -> 
    {{255098, 273929, 267753}, {"", ""}}, {626.4591, 14.3310995, "Meta"} -> 
    {{1, 37960, 149967}, {"", ""}}, {244.2189, 14.325999, "Meta"} -> 
    {{141369, 152791, 143868}, {"", ""}}, {325.2979, 14.328285, "Meta"} -> 
    {{56635, 62671, 64492}, {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, \
db=68.35, overall=34.18, KEGG ID=, CAS ID= ]", ""}}, 
   {294.2551, 14.3272505, "Meta"} -> {{1.71*^7, 8146035, 1.75*^7}, 
     {"Sterculic acid [ C19 H34 O2, db=82.34, overall=41.17, Lipid \
ID=LMFA01030190, KEGG ID= ]", ""}}, {262.2296, 14.327582, "Meta"} -> 
    {{611155, 639938, 642689}, {"6-[3]-ladderane-1-hexanol [ C18 H30 O, \
db=81.28, overall=40.64, Lipid ID=, KEGG ID= ]", ""}}, 
   {238.1927, 14.326264, "Meta"} -> {{28666, 34249, 30117}, 
     {"3-pentadecynoic acid [ C15 H26 O2, db=57.86, overall=28.93, Lipid ID=, \
KEGG ID= ]", ""}}, {392.2238, 14.332555, "Meta"} -> 
    {{106244, 113035, 112947}, {"6b-Hydroxycortisol [ C22 H32 O6, db=57.81, \
overall=28.91, KEGG ID=, CAS ID=53-35-0 ]", "53-35-0"}}, 
   {1285.907, 14.330352, "Meta"} -> {{449725, 465779, 103271}, {"", ""}}, 
   {198.1614, 14.327666, "Meta"} -> {{1, 1, 46365}, 
     {"9-lauroleic acid [ C12 H22 O2, db=55.65, overall=27.83, Lipid \
ID=LMFA01030041, KEGG ID= ]", ""}}, {311.2817, 14.328415, "Meta"} -> 
    {{6345308, 7158070, 6631968}, {"", ""}}, {354.2882, 14.326629, "Meta"} -> 
    {{1341295, 1902397, 1832832}, {"", ""}}, 
   {1241.8809, 14.334071, "Meta"} -> {{1, 56896, 71577}, {"", ""}}, 
   {410.1968, 14.332834, "Meta"} -> {{1, 23429, 26231}, {"", ""}}, 
   {920.7121, 14.328693, "Meta"} -> {{182135, 152977, 163006}, {"", ""}}, 
   {372.3238, 14.330667, "Meta"} -> {{652088, 631811, 649856}, 
     {"13,14-dihydroxy-docosanoic acid [ C22 H44 O4, db=92.68, overall=46.34, \
Lipid ID=, KEGG ID= ]", ""}}, {1180.7678, 14.332838, "Meta"} -> 
    {{104435, 93230, 103668}, {"", ""}}, {1214.8828, 14.336967, "Meta"} -> 
    {{1, 104274, 107471}, {"", ""}}, {1258.907, 14.333887, "Meta"} -> 
    {{137365, 141641, 148117}, {"", ""}}, {1170.852, 14.335778, "Meta"} -> 
    {{58378, 67782, 77547}, {"", ""}}, {1197.8549, 14.342236, "Meta"} -> 
    {{283221, 72738, 1}, {"", ""}}, {1202.8094, 14.343749, "Meta"} -> 
    {{47378, 35076, 65641}, {"", ""}}, {1246.8376, 14.333188, "Meta"} -> 
    {{268703, 243485, 59100}, {"", ""}}, {1070.7347, 14.356584, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {587.9054, 14.341818, "Meta"} -> 
    {{74578, 73200, 75669}, {"", ""}}, {754.5154, 14.349834, "Meta"} -> 
    {{90114, 71123, 77687}, {"", ""}}, {576.9138, 14.348359, "Meta"} -> 
    {{113772, 12156, 82884}, {"", ""}}, {442.4017, 14.35682, "Meta"} -> 
    {{244369, 255200, 269702}, {"", ""}}, {424.3913, 14.357807, "Meta"} -> 
    {{68400, 66034, 66689}, {"", ""}}, {406.3808, 14.358058, "Meta"} -> 
    {{60357, 56599, 55356}, {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ \
C27 H50 O2, db=83.65, overall=41.82, Lipid ID=, KEGG ID= ]", ""}}, 
   {1109.8003, 14.359261, "Meta"} -> {{38415, 1, 68754}, {"", ""}}, 
   {880.6371, 14.358142, "Meta"} -> {{20895, 19204, 21964}, {"", ""}}, 
   {854.6613, 14.358676, "Meta"} -> {{48503, 43827, 49370}, {"", ""}}, 
   {802.5359, 14.362123, "Meta"} -> {{3285986, 2729364, 2868850}, {"", ""}}, 
   {390.2761, 14.363417, "Meta"} -> {{1.94*^7, 8093428, 8430963}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=96.27, \
overall=48.13, Lipid ID=, KEGG ID= ]", ""}}, {166.0263, 14.363825, "Meta"} -> 
    {{50967, 45472, 42122}, {"Benzoquinoneacetic acid [ C8 H6 O4, db=86.34, \
overall=43.17, HMP ID=HMDB02334, KEGG ID= ]", ""}}, 
   {506.2177, 14.361897, "Meta"} -> {{22522, 1, 1}, {"", ""}}, 
   {488.2453, 14.363861, "Meta"} -> {{40381, 33895, 29052}, 
     {"(3a,5b,7a,12a)-3,7-dihydroxy-12-(sulfooxy)cholan-24-oic acid [ C24 H40 \
O8 S, db=80.09, overall=40.05, HMP ID=HMDB02600, KEGG ID= ]", ""}}, 
   {1065.7736, 14.364685, "Meta"} -> {{44738, 1, 70545}, {"", ""}}, 
   {148.0158, 14.363888, "Meta"} -> {{407247, 382697, 392062}, {"", ""}}, 
   {435.3347, 14.36872, "Meta"} -> {{348279, 336747, 340130}, {"", ""}}, 
   {260.1407, 14.364168, "Meta"} -> {{28132, 24094, 25291}, {"", ""}}, 
   {510.3212, 14.366528, "Meta"} -> {{175879, 171128, 223074}, 
     {"GPCho(8:0/8:0) [ C24 H49 N O8 P, db=69.20, overall=34.60, Lipid \
ID=LMGP01011251, KEGG ID= ]", ""}}, {421.319, 14.36807, "Meta"} -> 
    {{90650, 79885, 91760}, {"", ""}}, {278.1517, 14.363973, "Meta"} -> 
    {{184789, 134897, 167719}, {"", ""}}, {56.0626, 14.364111, "Meta"} -> 
    {{145072, 130019, 1}, {"", ""}}, {559.2364, 14.3670025, "Meta"} -> 
    {{60087, 44235, 49061}, {"", ""}}, {707.5107, 14.365907, "Meta"} -> 
    {{67078, 69299, 32117}, {"", ""}}, {723.5778, 14.369323, "Meta"} -> 
    {{1, 137719, 132894}, {"", ""}}, {472.2919, 14.36994, "Meta"} -> 
    {{38064, 33577, 45567}, {"", ""}}, {612.496, 14.377229, "Meta"} -> 
    {{58936, 62903, 332794}, {"", ""}}, {693.5309, 14.366889, "Meta"} -> 
    {{140161, 120400, 133723}, {"", ""}}, {311.3178, 14.3759985, "Meta"} -> 
    {{927490, 856404, 880362}, {"", ""}}, {242.1879, 14.379251, "Meta"} -> 
    {{87923, 83115, 93353}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
db=85.66, overall=42.83, Lipid ID=, KEGG ID= ]", ""}}, 
   {206.1667, 14.376665, "Meta"} -> {{49520, 53682, 51400}, {"", ""}}, 
   {260.1984, 14.38937, "Meta"} -> {{70062, 60098, 64252}, 
     {"3,11-dihydroxy myristoic acid [ C14 H28 O4, db=63.47, overall=31.73, \
Lipid ID=LMFA01050081, KEGG ID= ]", ""}}, {996.7662, 14.379554, "Meta"} -> 
    {{27338, 18076, 19962}, {"", ""}}, {429.2323, 14.385517, "Meta"} -> 
    {{109102, 88016, 72945}, {"", ""}}, {2021.3699, 14.398199, "Meta"} -> 
    {{52828, 1, 1}, {"", ""}}, {504.4169, 14.390971, "Meta"} -> 
    {{96961, 70783, 98275}, {"", ""}}, {540.4393, 14.375798, "Meta"} -> 
    {{101519, 124278, 2032243}, {"", ""}}, {890.7617, 14.388518, "Meta"} -> 
    {{199833, 167278, 195967}, {"", ""}}, {298.2869, 14.3915205, "Meta"} -> 
    {{139765, 116709, 113931}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
db=67.14, overall=33.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {397.2157, 14.390834, "Meta"} -> {{1, 37209, 33761}, {"", ""}}, 
   {666.5123, 14.391109, "Meta"} -> {{144227, 134969, 138850}, {"", ""}}, 
   {400.2142, 14.393068, "Meta"} -> {{1, 56961, 54900}, 
     {"Trp Pro Val [ C21 H28 N4 O4, db=30.15, overall=15.08 ]", ""}}, 
   {284.2715, 14.392412, "Meta"} -> {{468489, 109503, 126515}, 
     {"Stearic acid [ C18 H36 O2, db=99.03, overall=49.51, KEGG ID=, CAS \
ID=57-11-4 ]", "57-11-4"}}, {432.2395, 14.391428, "Meta"} -> 
    {{49522, 33816, 31477}, {"", ""}}, {382.2398, 14.392168, "Meta"} -> 
    {{347298, 245551, 225895}, {"", ""}}, {514.3634, 14.388402, "Meta"} -> 
    {{253169, 207942, 275042}, {"", ""}}, {442.2629, 14.3930025, "Meta"} -> 
    {{108233, 103688, 94626}, {"", ""}}, {457.239, 14.3956, "Meta"} -> 
    {{28788, 23833, 23594}, {"", ""}}, {408.3599, 14.406938, "Meta"} -> 
    {{24803, 1, 53932}, {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, \
db=75.02, overall=37.51, Lipid ID=, KEGG ID= ]", ""}}, 
   {1938.2709, 14.402037, "Meta"} -> {{139957, 101790, 63368}, {"", ""}}, 
   {250.193, 14.395028, "Meta"} -> {{116596, 111033, 129440}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=73.78, overall=36.89, \
Lipid ID=, KEGG ID= ]", ""}}, {301.2979, 14.39117, "Meta"} -> 
    {{44000, 30253, 38245}, {"Dihydrosphingosine [ C18 H39 N O2, db=85.23, \
overall=42.62, KEGG ID=C00836, CAS ID=764-22-7 ]", "764-22-7"}}, 
   {522.4279, 14.397862, "Meta"} -> {{303741, 240519, 286727}, {"", ""}}, 
   {1933.3156, 14.403201, "Meta"} -> {{91807, 101023, 98545}, {"", ""}}, 
   {416.2903, 14.408222, "Meta"} -> {{34346, 36006, 62193}, 
     {"(24R,25S)-25,26-epoxy-1alpha,24-dihydroxy-27-norvitamin D3 / \
(24R,25S)-25,26-epoxy-1alpha,24-dihydro [ C26 H40 O4, db=47.47, \
overall=23.74, Lipid ID=LMST03020037, KEGG ID= ]", ""}}, 
   {566.3937, 14.392841, "Meta"} -> {{182913, 162959, 103508}, {"", ""}}, 
   {474.37, 14.399874, "Meta"} -> {{83929, 100443, 181674}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=85.87, \
overall=42.94, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {612.4365, 14.406086, "Meta"} -> {{717693, 811626, 697094}, {"", ""}}, 
   {470.3972, 14.407165, "Meta"} -> {{50644, 1, 59804}, {"", ""}}, 
   {1850.2188, 14.408482, "Meta"} -> {{173381, 180359, 172894}, {"", ""}}, 
   {566.4545, 14.401355, "Meta"} -> {{1400943, 1215025, 194914}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=61.55, overall=30.77, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {443.3973, 14.4052, "Meta"} -> 
    {{117750, 121724, 110198}, {"", ""}}, {681.1175, 14.41128, "Meta"} -> 
    {{27255, 30330, 1}, {"", ""}}, {1899.2042, 14.408434, "Meta"} -> 
    {{94585, 95026, 87182}, {"", ""}}, {1943.2288, 14.400298, "Meta"} -> 
    {{60005, 62437, 50060}, {"", ""}}, {664.7895, 14.409922, "Meta"} -> 
    {{1, 37778, 1}, {"", ""}}, {448.3536, 14.37326, "Meta"} -> 
    {{441306, 354656, 371130}, {"Teasterone [ C28 H48 O4, db=51.26, \
overall=25.63, Lipid ID=LMST01030121, KEGG ID= ]", ""}}, 
   {1806.1923, 14.411065, "Meta"} -> {{220391, 209208, 192327}, {"", ""}}, 
   {486.4034, 14.407399, "Meta"} -> {{1, 36883, 31510}, 
     {"1alpha,25-dihydroxy-2beta-pentylvitamin D3 / \
1alpha,25-dihydroxy-2beta-pentylcholecalciferol [ C32 H54 O3, db=34.55, \
overall=17.27, Lipid ID=LMST03020520, KEGG ID= ]", ""}}, 
   {1855.1772, 14.401386, "Meta"} -> {{31122, 35945, 1}, {"", ""}}, 
   {651.7665, 14.412334, "Meta"} -> {{39735, 36559, 31848}, {"", ""}}, 
   {593.0646, 14.419587, "Meta"} -> {{1, 27627, 1}, {"", ""}}, 
   {370.3077, 14.410557, "Meta"} -> {{7353364, 1.15*^7, 4199459}, 
     {"Docosanedioic acid [ C22 H42 O4, db=97.13, overall=48.56, Lipid \
ID=LMFA01170037, KEGG ID= ]", ""}}, {404.3647, 14.4150305, "Meta"} -> 
    {{109069, 105613, 105010}, {"5beta-Cholestane-3alpha,7alpha-diol [ C27 \
H48 O2, db=79.14, overall=39.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {1757.2117, 14.41254, "Meta"} -> {{161709, 177283, 151133}, {"", ""}}, 
   {1801.2352, 14.410735, "Meta"} -> {{152543, 145686, 162009}, {"", ""}}, 
   {1811.1512, 14.408364, "Meta"} -> {{132829, 101217, 26919}, {"", ""}}, 
   {1762.1667, 14.414145, "Meta"} -> {{188749, 213438, 197114}, {"", ""}}, 
   {390.3488, 14.408688, "Meta"} -> {{1, 103887, 110170}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=54.78, overall=27.39, \
Lipid ID=, KEGG ID= ]", ""}}, {583.4808, 14.395259, "Meta"} -> 
    {{49986, 1, 29952}, {"", ""}}, {637.0912, 14.41594, "Meta"} -> 
    {{31473, 27166, 30156}, {"", ""}}, {511.4232, 14.415657, "Meta"} -> 
    {{114541, 101613, 112845}, {"", ""}}, {387.335, 14.411082, "Meta"} -> 
    {{703034, 917890, 447703}, {"", ""}}, {470.097, 14.418974, "Meta"} -> 
    {{8999983, 1.26*^7, 1.17*^7}, {"", ""}}, {493.0873, 14.415969, "Meta"} -> 
    {{49321, 66450, 68774}, {"", ""}}, {1723.0979, 14.419501, "Meta"} -> 
    {{164391, 159839, 163467}, {"", ""}}, {1625.133, 14.422751, "Meta"} -> 
    {{189356, 186570, 220466}, {"", ""}}, {1630.0883, 14.423135, "Meta"} -> 
    {{1, 303942, 281563}, {"", ""}}, {1635.048, 14.425599, "Meta"} -> 
    {{1, 169277, 157041}, {"", ""}}, {1586.0623, 14.426733, "Meta"} -> 
    {{306028, 318790, 343062}, {"", ""}}, {447.2265, 14.425441, "Meta"} -> 
    {{88222, 87338, 70395}, 
     {"Ser Arg Trp [ C20 H29 N7 O5, db=50.01, overall=25.00 ]", ""}}, 
   {1581.1057, 14.426365, "Meta"} -> {{199881, 206212, 163822}, {"", ""}}, 
   {404.3037, 14.428638, "Meta"} -> {{538348, 889493, 1172054}, {"", ""}}, 
   {1542.0363, 14.429039, "Meta"} -> {{272990, 283252, 1}, {"", ""}}, 
   {375.3134, 14.427285, "Meta"} -> {{32230, 1, 28977}, 
     {"N-(1,1-dimethyl-2-hydroxy-ethyl) arachidonoyl amine [ C24 H41 N O2, \
db=81.75, overall=40.88, Lipid ID=LMFA08020019, KEGG ID= ]", ""}}, 
   {1591.0197, 14.430484, "Meta"} -> {{197971, 190640, 199790}, {"", ""}}, 
   {361.2974, 14.432083, "Meta"} -> {{4453378, 4865783, 4948695}, 
     {"N-methyl N-(2-hydroxy-ethyl) arachidonoyl amine [ C23 H39 N O2, \
db=97.58, overall=48.79, Lipid ID=LMFA08020025, KEGG ID= ]", ""}}, 
   {344.2712, 14.433056, "Meta"} -> {{5494795, 1407053, 1365404}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=99.04, \
overall=49.52, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {1546.9941, 14.433572, "Meta"} -> {{188596, 182551, 1}, {"", ""}}, 
   {1476.0247, 14.427167, "Meta"} -> {{47239, 1, 357723}, {"", ""}}, 
   {506.4327, 14.461076, "Meta"} -> {{35469, 30997, 53763}, {"", ""}}, 
   {1502.967, 14.438209, "Meta"} -> {{155522, 177296, 1}, {"", ""}}, 
   {420.3577, 14.4446125, "Meta"} -> {{123916, 132050, 149589}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=65.27, \
overall=32.64, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {1387.9729, 14.434806, "Meta"} -> {{41202, 37416, 275941}, {"", ""}}, 
   {1493.0544, 14.434714, "Meta"} -> {{188781, 193370, 201173}, {"", ""}}, 
   {511.2607, 14.419092, "Meta"} -> {{35995, 1, 32016}, {"", ""}}, 
   {1449.0283, 14.43929, "Meta"} -> {{142966, 177165, 164629}, {"", ""}}, 
   {380.3653, 14.448362, "Meta"} -> {{182896, 137703, 198016}, 
     {"17Z-pentacosenoic acid [ C25 H48 O2, db=96.33, overall=48.17, Lipid \
ID=, KEGG ID= ]", ""}}, {1405.001, 14.443967, "Meta"} -> 
    {{163364, 144519, 158533}, {"CL(1'-[16:0/18:1(11Z)],3'-[16:0/18:1(11Z)]) \
[ C77 H146 O17 P2, db=86.52, overall=43.26, Lipid ID=LMGP12010006, KEGG ID= \
]", ""}}, {1321.905, 14.456001, "Meta"} -> {{1, 157494, 159094}, {"", ""}}, 
   {1316.9497, 14.455285, "Meta"} -> {{1, 113560, 114698}, {"", ""}}, 
   {438.3322, 14.440999, "Meta"} -> {{22785, 306158, 40112}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=78.36, \
overall=39.18, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {1277.8792, 14.461234, "Meta"} -> {{104367, 110500, 106978}, {"", ""}}, 
   {1118.9772, 14.463029, "Meta"} -> {{90852, 98765, 87290}, {"", ""}}, 
   {636.9634, 14.461871, "Meta"} -> {{23069, 25101, 23254}, {"", ""}}, 
   {848.7128, 14.462386, "Meta"} -> {{32866, 30406, 34942}, {"", ""}}, 
   {1238.8083, 14.467372, "Meta"} -> {{58142, 54593, 63104}, {"", ""}}, 
   {270.2551, 14.466167, "Meta"} -> {{2.01*^7, 2.2*^7, 2.17*^7}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=94.77, overall=47.38, \
Lipid ID=, KEGG ID= ]", ""}}, {287.2824, 14.466778, "Meta"} -> 
    {{1417950, 1592148, 1531654}, {"C17 Sphinganine [ C17 H37 N O2, db=99.39, \
overall=49.69, Lipid ID=LMSP01040003, KEGG ID= ]", ""}}, 
   {400.334, 14.474161, "Meta"} -> {{497583, 507239, 490909}, 
     {"(5E)-1alpha-hydroxy-3-epivitamin D_3 / \
(5E)-1alpha-hydroxy-3-epicholecalciferol [ C27 H44 O2, db=88.78, \
overall=44.39, Lipid ID=LMST03020234, KEGG ID= ]", ""}}, 
   {1194.7839, 14.473861, "Meta"} -> {{21766, 22552, 24667}, {"", ""}}, 
   {1168.9875, 14.479252, "Meta"} -> {{46879, 28120, 38831}, {"", ""}}, 
   {330.2883, 14.466946, "Meta"} -> {{339823, 553566, 499668}, {"", ""}}, 
   {320.2708, 14.478832, "Meta"} -> {{2680736, 1.46*^7, 1.4*^7}, 
     {"3a,20b-Pregnanediol [ C21 H36 O2, db=92.32, overall=46.16, HMP \
ID=HMDB02156, KEGG ID= ]", ""}}, {684.1372, 14.495041, "Meta"} -> 
    {{36653, 42328, 1}, {"", ""}}, {418.2392, 14.489999, "Meta"} -> 
    {{24388, 48371, 22875}, 
     {"Met Arg Leu [ C17 H34 N6 O4 S, db=55.58, overall=27.79 ]", ""}}, 
   {337.2972, 14.478779, "Meta"} -> {{6967164, 9179219, 8203064}, {"", ""}}, 
   {948.7409, 14.486519, "Meta"} -> {{87971, 109447, 120097}, {"", ""}}, 
   {288.2448, 14.4851265, "Meta"} -> {{78737, 91484, 88474}, 
     {"8-[5]-ladderane-1-octanol [ C20 H32 O, db=62.66, overall=31.33, Lipid \
ID=, KEGG ID= ]", ""}}, {380.3036, 14.478943, "Meta"} -> 
    {{822681, 1396521, 1287258}, {"", ""}}, {351.3139, 14.491401, "Meta"} -> 
    {{52011, 1, 51807}, {"Anandamide (20:2, n-6) [ C22 H41 N O2, db=69.92, \
overall=34.96, Lipid ID=LMFA08040002, KEGG ID= ]", ""}}, 
   {1124.8135, 14.482899, "Meta"} -> {{87607, 75610, 119110}, {"", ""}}, 
   {654.7867, 14.500103, "Meta"} -> {{46209, 1, 46150}, {"", ""}}, 
   {671.1134, 14.4969425, "Meta"} -> {{38254, 41408, 52443}, {"", ""}}, 
   {645.3889, 14.488171, "Meta"} -> {{151453, 1, 66328}, {"", ""}}, 
   {426.2745, 14.497218, "Meta"} -> {{1, 190663, 664892}, 
     {"(23S)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone [ C27 H38 \
O4, db=63.52, overall=31.76, Lipid ID=LMST03020599, KEGG ID= ]", ""}}, 
   {685.7893, 14.4935665, "Meta"} -> {{49596, 30928, 56873}, {"", ""}}, 
   {1947.3323, 14.498856, "Meta"} -> {{65318, 71457, 1}, {"", ""}}, 
   {1996.3118, 14.491321, "Meta"} -> {{1, 1, 74390}, {"", ""}}, 
   {641.7627, 14.502058, "Meta"} -> {{35976, 42310, 34160}, {"", ""}}, 
   {636.4919, 14.474574, "Meta"} -> {{318295, 281493, 293452}, {"", ""}}, 
   {2040.3385, 14.493648, "Meta"} -> {{47472, 51897, 57653}, {"", ""}}, 
   {627.0879, 14.50506, "Meta"} -> {{31252, 38057, 35102}, {"", ""}}, 
   {1991.3583, 14.495925, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {494.3971, 14.493335, "Meta"} -> {{649559, 198740, 135218}, {"", ""}}, 
   {592.4704, 14.502999, "Meta"} -> {{3122994, 1992937, 3164919}, {"", ""}}, 
   {919.681, 14.505394, "Meta"} -> {{22651, 23731, 22336}, {"", ""}}, 
   {807.8639, 14.509769, "Meta"} -> {{48858, 31979, 46734}, {"", ""}}, 
   {1903.3048, 14.502486, "Meta"} -> {{55056, 84616, 71373}, {"", ""}}, 
   {793.1883, 14.512266, "Meta"} -> {{27332, 34463, 53761}, {"", ""}}, 
   {1952.2863, 14.502277, "Meta"} -> {{67002, 91711, 88159}, {"", ""}}, 
   {1869.194, 14.502086, "Meta"} -> {{1, 1, 95195}, {"", ""}}, 
   {1908.2607, 14.504808, "Meta"} -> {{117312, 92202, 112183}, {"", ""}}, 
   {1820.2089, 14.511034, "Meta"} -> {{160118, 138109, 159124}, {"", ""}}, 
   {963.707, 14.513001, "Meta"} -> {{17165, 26340, 1}, {"", ""}}, 
   {1781.1418, 14.511568, "Meta"} -> {{93144, 108951, 101391}, {"", ""}}, 
   {1776.1823, 14.514804, "Meta"} -> {{190521, 164438, 185082}, {"", ""}}, 
   {386.3397, 14.511031, "Meta"} -> {{1210808, 1356488, 1213369}, 
     {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=96.95, overall=48.47, KEGG \
ID=, CAS ID= ]", ""}}, {1815.2509, 14.512214, "Meta"} -> 
    {{80364, 1, 1}, {"", ""}}, {252.2088, 14.522425, "Meta"} -> 
    {{33580, 32628, 29014}, {"2E,4E-hexadecadienoic acid [ C16 H28 O2, \
db=60.20, overall=30.10, Lipid ID=, KEGG ID= ]", ""}}, 
   {1771.2264, 14.515609, "Meta"} -> {{93253, 108047, 97726}, {"", ""}}, 
   {294.2194, 14.478001, "Meta"} -> {{57707, 29994, 17684}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=80.00, overall=40.00, \
Lipid ID=, KEGG ID= ]", ""}}, {546.4281, 14.479806, "Meta"} -> 
    {{460943, 464830, 133448}, {"", ""}}, {749.1626, 14.516725, "Meta"} -> 
    {{44327, 45552, 44302}, {"", ""}}, {596.4413, 14.516907, "Meta"} -> 
    {{196971, 183033, 243491}, {"", ""}}, {278.2243, 14.527305, "Meta"} -> 
    {{351041, 287000, 296538}, {"beta-eleostearic acid [ C18 H30 O2, \
db=62.70, overall=31.35, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {763.8373, 14.514566, "Meta"} -> {{44363, 52951, 44026}, {"", ""}}, 
   {276.2084, 14.51291, "Meta"} -> {{44850, 45593, 36691}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=79.59, overall=39.79, Lipid \
ID=, KEGG ID= ]", ""}}, {1222.882, 14.507078, "Meta"} -> 
    {{78529, 75366, 77672}, {"", ""}}, {1693.0908, 14.519001, "Meta"} -> 
    {{164055, 94683, 159940}, {"", ""}}, {1683.1736, 14.522961, "Meta"} -> 
    {{115820, 1, 117259}, {"", ""}}, {576.4755, 14.530964, "Meta"} -> 
    {{1, 986437, 1094592}, {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-\
sn-glycerol [ C36 H64 O5, db=81.99, overall=40.99, KEGG ID=, CAS ID= ]", 
      ""}}, {1112.8135, 14.532041, "Meta"} -> {{21617, 49872, 46993}, 
     {"", ""}}, {1551.0957, 14.537624, "Meta"} -> {{100694, 113416, 97921}, 
     {"", ""}}, {1507.0687, 14.543251, "Meta"} -> {{88621, 118558, 96349}, 
     {"", ""}}, {1463.0459, 14.548631, "Meta"} -> 
    {{1, 65050, 75718}, {"", ""}}, {412.2124, 14.560958, "Meta"} -> 
    {{22451, 1, 20013}, {"", ""}}, {264.2448, 14.558638, "Meta"} -> 
    {{124919, 194909, 152867}, {"9,12-octadecadienal [ C18 H32 O, db=90.59, \
overall=45.30, Lipid ID=, KEGG ID= ]", ""}}, {296.2707, 14.557776, "Meta"} -> 
    {{1.13*^7, 1.62*^7, 1.53*^7}, {"10-methylene-octadecanoic acid [ C19 H36 \
O2, db=84.40, overall=42.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {394.2399, 14.56191, "Meta"} -> {{79720, 1, 93621}, {"", ""}}, 
   {356.3036, 14.558113, "Meta"} -> {{338443, 620619, 578972}, {"", ""}}, 
   {313.2974, 14.558834, "Meta"} -> {{2683840, 4609685, 3825836}, 
     {"N-(2-hydroxyethyl)heptadecanamide [ C19 H39 N O2, db=99.60, \
overall=49.80, KEGG ID=, CAS ID= ]", ""}}, {327.3145, 14.5584135, "Meta"} -> 
    {{1, 26328, 20295}, {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, \
db=63.74, overall=31.87, KEGG ID=, CAS ID= ]", ""}}, 
   {496.4124, 14.55775, "Meta"} -> {{68625, 41837, 1}, {"", ""}}, 
   {1330.9644, 14.569345, "Meta"} -> {{26707, 49109, 1}, {"", ""}}, 
   {1224.9006, 14.558654, "Meta"} -> {{169957, 122219, 139077}, {"", ""}}, 
   {719.8112, 14.559839, "Meta"} -> {{42722, 1, 36360}, {"", ""}}, 
   {323.3189, 14.573417, "Meta"} -> {{781587, 849953, 775088}, {"", ""}}, 
   {2054.3523, 14.574896, "Meta"} -> {{28564, 30181, 46442}, {"", ""}}, 
   {563.4318, 14.564408, "Meta"} -> {{1082177, 1255640, 1421468}, {"", ""}}, 
   {827.2118, 14.585125, "Meta"} -> {{37702, 50207, 55422}, {"", ""}}, 
   {387.3137, 14.578861, "Meta"} -> {{63034, 136355, 108845}, {"", ""}}, 
   {1128.8441, 14.582754, "Meta"} -> {{44235, 43056, 56735}, {"", ""}}, 
   {180.1507, 14.5836115, "Meta"} -> {{26630, 1, 33966}, 
     {"3,6,8-dodecatrien-1-ol [ C12 H20 O, db=70.80, overall=35.40, Lipid \
ID=, KEGG ID= ]", ""}}, {435.3027, 14.588826, "Meta"} -> 
    {{96795, 134940, 113879}, {"", ""}}, {394.3806, 14.587612, "Meta"} -> 
    {{83370, 111843, 109276}, {"Ximenic acid [ C26 H50 O2, db=85.28, \
overall=42.64, Lipid ID=LMFA01030095, KEGG ID= ]", ""}}, 
   {337.3338, 14.585556, "Meta"} -> {{1.02*^7, 2.56*^7, 1.58*^7}, {"", ""}}, 
   {198.1615, 14.583165, "Meta"} -> {{119425, 130215, 134750}, 
     {"9-lauroleic acid [ C12 H22 O2, db=95.30, overall=47.65, Lipid \
ID=LMFA01030041, KEGG ID= ]", ""}}, {457.3779, 14.587459, "Meta"} -> 
    {{1, 132189, 130991}, {"", ""}}, {397.3668, 14.5889435, "Meta"} -> 
    {{623173, 1315351, 1277551}, {"", ""}}, {518.3949, 14.583486, "Meta"} -> 
    {{263523, 376965, 333084}, {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)\
vitamin D3 / 1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, \
db=54.02, overall=27.01, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {382.3923, 14.588941, "Meta"} -> {{61320, 1, 123409}, {"", ""}}, 
   {618.6064, 14.58071, "Meta"} -> {{69591, 201605, 151609}, {"", ""}}, 
   {2010.329, 14.5813465, "Meta"} -> {{57308, 20506, 59991}, {"", ""}}, 
   {749.5934, 14.587584, "Meta"} -> {{41273, 569408, 98900}, {"", ""}}, 
   {434.3736, 14.585371, "Meta"} -> {{35604, 65541, 66053}, 
     {"6-deoxoteasterone [ C28 H50 O3, db=57.43, overall=28.72, Lipid \
ID=LMST01030120, KEGG ID= ]", ""}}, {368.3762, 14.587169, "Meta"} -> 
    {{25039, 61538, 39484}, {"", ""}}, {675.7857, 14.585401, "Meta"} -> 
    {{19238, 54230, 1}, {"", ""}}, {570.4849, 14.596359, "Meta"} -> 
    {{52744, 61144, 54247}, {"Dihydrospheroidene/ Methoxyneurosporene [ C41 \
H62 O, db=48.91, overall=24.45, Lipid ID=LMPR01070149, KEGG ID= ]", ""}}, 
   {646.5057, 14.597443, "Meta"} -> {{2852068, 2668779, 3020148}, {"", ""}}, 
   {777.6257, 14.593777, "Meta"} -> {{1892885, 2039096, 2280736}, {"", ""}}, 
   {1878.251, 14.597361, "Meta"} -> {{82812, 83251, 101912}, {"", ""}}, 
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   {1829.2671, 14.605332, "Meta"} -> {{77767, 94283, 50933}, {"", ""}}, 
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    {{168821, 152710, 1}, {"", ""}}, {418.3076, 14.641639, "Meta"} -> 
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   {587.268, 14.647654, "Meta"} -> {{1, 106356, 139337}, {"", ""}}, 
   {594.4864, 14.647084, "Meta"} -> {{2739734, 4022306, 3160153}, 
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    {{1158399, 397188, 763251}, {"GPCho(16:0/2:0[U]) [ C26 H53 N O8 P, \
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   {284.2714, 14.654392, "Meta"} -> {{578886, 1024713, 895703}, 
     {"Stearic acid [ C18 H36 O2, db=98.08, overall=49.04, KEGG ID=, CAS \
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    {{539563, 675129, 737570}, {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadieno\
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     {"5beta-Cholestane-3alpha,7alpha-diol [ C27 H48 O2, db=61.38, \
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   {1228.9321, 14.649517, "Meta"} -> {{395934, 400775, 454577}, {"", ""}}, 
   {301.298, 14.656277, "Meta"} -> {{65642, 173762, 119836}, 
     {"Dihydrosphingosine [ C18 H39 N O2, db=96.01, overall=48.00, KEGG \
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    {{470930, 127628, 220274}, {"2,4,6-Heptatrienoic acid, \
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O3, db=85.11, overall=42.55, KEGG ID=, CAS ID=230976-85-9 ]", 
      "230976-85-9"}}, {504.4172, 14.684583, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {572.4439, 14.696446, "Meta"} -> 
    {{179204, 1, 69614}, {"", ""}}, {420.3589, 14.700999, "Meta"} -> 
    {{1, 1, 28790}, {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, \
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   {672.5206, 14.677082, "Meta"} -> {{5356852, 5270563, 5687601}, {"", ""}}, 
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   {339.3138, 14.689998, "Meta"} -> {{325710, 1032235, 664436}, {"", ""}}, 
   {322.2869, 14.6890545, "Meta"} -> {{434834, 1116519, 267176}, 
     {"18-methyl-5Z,9Z-eicosadienoic acid [ C21 H38 O2, db=89.79, \
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    {{103915, 85534, 1}, {"", ""}}, {710.4678, 14.679098, "Meta"} -> 
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    {{71849, 65663, 78102}, {"", ""}}, {410.3753, 14.702883, "Meta"} -> 
    {{60915, 173962, 65547}, {"", ""}}, {658.4167, 14.70937, "Meta"} -> 
    {{1, 76777, 1}, {"", ""}}, {652.4213, 14.713416, "Meta"} -> 
    {{1, 1, 376117}, {"", ""}}, {316.2608, 14.722626, "Meta"} -> 
    {{620576, 733135, 766179}, {"7,8-dihydroxy stearic acid [ C18 H36 O4, \
db=57.03, overall=28.52, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {618.4829, 14.717896, "Meta"} -> {{436977, 9414555, 7925671}, {"", ""}}, 
   {464.3117, 14.712481, "Meta"} -> {{1, 16905, 1}, 
     {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic \
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   {627.543, 14.723062, "Meta"} -> {{24838, 30722, 25375}, {"", ""}}, 
   {298.2502, 14.720165, "Meta"} -> {{1.48*^7, 1869829, 2635851}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=96.33, overall=48.16, \
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    {{256517, 618375, 451119}, {"24-Nor-5beta-cholane-3alpha,7alpha,23-triol \
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   {787.8574, 14.717876, "Meta"} -> {{40042, 19304, 1}, {"", ""}}, 
   {1248.9193, 14.717847, "Meta"} -> {{1, 100202, 91696}, {"", ""}}, 
   {1214.9626, 14.718625, "Meta"} -> {{61494, 92322, 1}, {"", ""}}, 
   {262.2295, 14.721832, "Meta"} -> {{100096, 124496, 111718}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=86.76, overall=43.38, Lipid \
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    {{2475828, 2227340, 2030891}, {"13E,17-octadecadienoic acid [ C18 H32 O2, \
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   {641.5592, 14.724205, "Meta"} -> {{36831, 101699, 45768}, {"", ""}}, 
   {1230.9482, 14.721404, "Meta"} -> {{225259, 227471, 245474}, {"", ""}}, 
   {613.5278, 14.712639, "Meta"} -> {{102460, 1, 97780}, {"", ""}}, 
   {895.2569, 14.730208, "Meta"} -> {{31953, 52785, 46763}, {"", ""}}, 
   {878.9283, 14.734208, "Meta"} -> {{71712, 79195, 1}, {"", ""}}, 
   {548.4439, 14.7357, "Meta"} -> {{204243, 207923, 161674}, {"", ""}}, 
   {660.5212, 14.728284, "Meta"} -> {{1504264, 1593912, 1763073}, {"", ""}}, 
   {327.314, 14.733674, "Meta"} -> {{38178, 69229, 47397}, 
     {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, db=66.95, overall=33.47, \
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    {{91434, 155750, 127640}, {"trans-gondoic acid [ C20 H38 O2, db=60.53, \
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   {583.4811, 14.737029, "Meta"} -> {{60797, 61537, 55103}, {"", ""}}, 
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     {"1-(9Z,12Z-heptadecadienoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero\
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   {716.5471, 14.760383, "Meta"} -> {{693275, 521321, 846511}, {"", ""}}, 
   {389.3293, 14.748772, "Meta"} -> {{1, 525089, 363958}, 
     {"(-)N-(1R-methyl-2-hydroxy-ethyl) alpha,alpha-dimethylarachidonoyl \
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     {"", ""}}, {574.4596, 14.754307, "Meta"} -> 
    {{2146825, 1950357, 2096749}, {"", ""}}, {242.1877, 14.760484, "Meta"} -> 
    {{26761, 1, 43488}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
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   {556.4492, 14.754058, "Meta"} -> {{263960, 131557, 111777}, {"", ""}}, 
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     {"1alpha,25-dihydroxy-26,27-dimethylvitamin D3 / \
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     {"1alpha-hydroxy-24-methylvitamin D2 / \
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    {{882581, 813504, 959359}, {"", ""}}, {630.3825, 14.770709, "Meta"} -> 
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    {{1240244, 1073502, 1415433}, {"", ""}}, {298.2872, 14.814419, "Meta"} -> 
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   {315.3136, 14.814669, "Meta"} -> {{3073996, 4112764, 3132461}, {"", ""}}, 
   {412.2589, 14.804344, "Meta"} -> {{543663, 422506, 447724}, {"", ""}}, 
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   {1010.7714, 14.841031, "Meta"} -> {{309506, 242174, 292674}, {"", ""}}, 
   {861.6182, 14.853371, "Meta"} -> {{357837, 305179, 313138}, 
     {"Galabiosylceramide (d18:1/16:0) [ C46 H87 N O13, db=96.56, \
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   {339.3499, 14.845642, "Meta"} -> {{97561, 115074, 159470}, 
     {"Docosanamide [ C22 H45 N O, db=95.67, overall=47.83, HMP ID=HMDB00583, \
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    {{187929, 371729, 604537}, {"", ""}}, {656.5257, 14.851055, "Meta"} -> 
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   {790.4836, 14.8502035, "Meta"} -> {{63049, 101513, 72785}, 
     {"Bis-[2-lyso-3-arachidonoyl-sn-glycerol]-1-phosphate [ C44 H71 O10 P, \
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   {787.4786, 14.851057, "Meta"} -> {{132080, 105323, 107721}, {"", ""}}, 
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   {468.3215, 14.851771, "Meta"} -> {{128010, 113870, 105440}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
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    {{444498, 212165, 509565}, {"", ""}}, {341.3288, 14.878036, "Meta"} -> 
    {{70254, 107400, 112218}, {"", ""}}, {324.3027, 14.878835, "Meta"} -> 
    {{40736, 181661, 211627}, {"2-propyl-9Z-octadecenoic Acid [ C21 H40 O2, \
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   {365.3654, 14.881139, "Meta"} -> {{176854, 251669, 189356}, {"", ""}}, 
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   {1296.9957, 14.909416, "Meta"} -> {{41222, 47655, 55581}, {"", ""}}, 
   {1299.0092, 14.927766, "Meta"} -> {{399528, 381692, 494055}, {"", ""}}, 
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   {700.5531, 14.915303, "Meta"} -> {{7.47*^7, 6.95*^7, 7.12*^7}, {"", ""}}, 
   {798.5251, 14.918499, "Meta"} -> {{304954, 342668, 341309}, {"", ""}}, 
   {869.5117, 14.918613, "Meta"} -> {{185873, 169784, 176457}, {"", ""}}, 
   {1457.028, 14.91376, "Meta"} -> {{256535, 222738, 190428}, {"", ""}}, 
   {682.5412, 14.914805, "Meta"} -> {{103190, 108299, 93237}, {"", ""}}, 
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   {753.4737, 14.916138, "Meta"} -> {{237991, 200545, 182985}, {"", ""}}, 
   {914.7343, 14.930177, "Meta"} -> {{184884, 98424, 245844}, 
     {"TG(17:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] [ C60 H98 \
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   {428.3655, 14.930514, "Meta"} -> {{2905612, 2231937, 3397408}, 
     {"25-hydroxy-26,27-dimethylvitamin D3 / \
25-hydroxy-26,27-dimethylcholecalciferol [ C29 H48 O2, db=98.81, \
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   {858.6343, 14.935901, "Meta"} -> {{34081, 24926, 40419}, {"", ""}}, 
   {491.4338, 14.930941, "Meta"} -> {{141769, 164461, 189404}, {"", ""}}, 
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    {{80955, 75968, 81729}, {"", ""}}, {576.4755, 14.971321, "Meta"} -> 
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     {"", ""}}, {1287.0085, 14.963088, "Meta"} -> {{295367, 297139, 316357}, 
     {"", ""}}, {747.6484, 14.962824, "Meta"} -> {{29313, 1, 61799}, 
     {"", ""}}, {786.5239, 14.967411, "Meta"} -> {{149959, 298625, 295343}, 
     {"", ""}}, {744.4723, 14.964235, "Meta"} -> {{172526, 122229, 123223}, 
     {"", ""}}, {688.5515, 14.964059, "Meta"} -> {{2.35*^7, 2.2*^7, 2.46*^7}, 
     {"Etn-1-P-Cer(d14:1/18:0) [ C38 H77 N2 O6 P, db=98.24, overall=49.12, \
Lipid ID=LMSP03020001, KEGG ID= ]", ""}}, {726.4995, 14.96664, "Meta"} -> 
    {{1, 1, 432972}, {"", ""}}, {509.4806, 14.9780655, "Meta"} -> 
    {{102637, 87926, 89707}, {"Cer(d18:1/14:0) [ C32 H63 N O3, db=92.56, \
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   {430.1711, 14.9816675, "Meta"} -> {{73405, 58132, 59934}, {"", ""}}, 
   {430.3446, 14.98436, "Meta"} -> {{599140, 610978, 643907}, 
     {"2beta-methyl-1alpha,25-dihydroxyvitamin D_3 / \
2beta-methyl-1alpha,25-dihydroxycholecalciferol [ C28 H46 O3, db=95.57, \
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   {500.3479, 14.986893, "Meta"} -> {{41362, 44726, 45409}, {"", ""}}, 
   {415.3571, 14.983973, "Meta"} -> {{1240053, 1157530, 1237269}, {"", ""}}, 
   {529.303, 14.984667, "Meta"} -> {{22007, 18402, 17039}, {"", ""}}, 
   {415.3084, 14.981182, "Meta"} -> {{85760, 57592, 55276}, {"", ""}}, 
   {848.9196, 14.9934225, "Meta"} -> {{40732, 34055, 34385}, {"", ""}}, 
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    {{383234, 160851, 385269}, {"", ""}}, {838.69, 15.756972, "Meta"} -> 
    {{189663, 238480, 218907}, {"", ""}}, {826.6931, 15.772778, "Meta"} -> 
    {{1835520, 2112357, 2154521}, {"", ""}}, {578.5272, 15.79175, "Meta"} -> 
    {{812929, 670505, 486183}, {"", ""}}, {646.4517, 15.798346, "Meta"} -> 
    {{18314, 15026, 1}, {"GPA(14:0/18:1(9Z)) [ C35 H67 O8 P, db=53.75, \
overall=26.87, Lipid ID=LMGP10010019, KEGG ID= ]", ""}}, 
   {629.6106, 15.80247, "Meta"} -> {{114269, 126479, 133603}, {"", ""}}, 
   {647.6218, 15.803638, "Meta"} -> {{634857, 742001, 771466}, 
     {"Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, db=94.85, overall=47.43, \
HMP ID=HMDB04953, KEGG ID= ]", ""}}, {618.52, 15.807126, "Meta"} -> 
    {{1386482, 1, 1}, {"1-octadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-gly\
cerol [ C39 H70 O5, db=91.14, overall=45.57, KEGG ID=, CAS ID= ]", ""}}, 
   {800.6776, 15.794722, "Meta"} -> {{2966320, 2807177, 2926878}, {"", ""}}, 
   {613.5643, 15.813304, "Meta"} -> {{1310012, 1155058, 775828}, {"", ""}}, 
   {720.5875, 15.822541, "Meta"} -> {{1, 225401, 1}, 
     {"GPCho(O-16:0/16:0) [ C40 H83 N O7 P, db=74.12, overall=37.06, Lipid \
ID=LMGP01020029, KEGG ID= ]", ""}}, {863.6402, 15.794833, "Meta"} -> 
    {{520980, 510311, 480360}, {"", ""}}, {661.637, 15.824202, "Meta"} -> 
    {{72268, 96969, 95696}, {"", ""}}, {813.6251, 15.798603, "Meta"} -> 
    {{7453786, 6282214, 1}, {"", ""}}, {847.6456, 15.813998, "Meta"} -> 
    {{2879761, 2639910, 2926161}, {"", ""}}, {551.4249, 15.827079, "Meta"} -> 
    {{22607, 23950, 20183}, {"", ""}}, {797.6297, 15.801678, "Meta"} -> 
    {{3519061, 4674297, 4025172}, {"", ""}}, {661.4929, 15.831914, "Meta"} -> 
    {{61263, 54563, 55287}, {"", ""}}, {605.6104, 15.850416, "Meta"} -> 
    {{183396, 303748, 298384}, {"", ""}}, {834.2323, 15.869839, "Meta"} -> 
    {{57785, 39512, 54909}, {"", ""}}, {831.2332, 15.870869, "Meta"} -> 
    {{188230, 135519, 173679}, {"", ""}}, {627.5816, 15.898941, "Meta"} -> 
    {{237029, 126539, 82937}, {"", ""}}, {631.6267, 15.875499, "Meta"} -> 
    {{263617, 333551, 326468}, {"", ""}}, {592.5431, 15.88767, "Meta"} -> 
    {{109394, 89895, 66152}, {"", ""}}, {801.6253, 15.848322, "Meta"} -> 
    {{618356, 1, 582766}, {"GPEtn(22:1(13Z)/18:0)[U] [ C45 H88 N O8 P, \
db=86.54, overall=43.27, Lipid ID=LMGP02010033, KEGG ID= ]", ""}}, 
   {632.5355, 15.902878, "Meta"} -> {{199473, 169950, 122699}, 
     {"1-(9Z-heptadecenoyl)-2-(11Z,14Z-eicosadienoyl)-sn-glycerol [ C40 H72 \
O5, db=87.97, overall=43.98, KEGG ID=, CAS ID= ]", ""}}, 
   {839.6394, 15.8606, "Meta"} -> {{620712, 740258, 1}, {"", ""}}, 
   {814.6932, 15.912194, "Meta"} -> {{5955750, 5308622, 6228440}, {"", ""}}, 
   {852.6397, 15.911029, "Meta"} -> {{213383, 225667, 228221}, {"", ""}}, 
   {773.63, 15.906822, "Meta"} -> {{2170140, 2135115, 2245250}, {"", ""}}, 
   {823.6456, 15.917723, "Meta"} -> {{7027187, 4464847, 6455793}, {"", ""}}, 
   {649.6372, 15.946309, "Meta"} -> {{484795, 569968, 570755}, 
     {"N-Lignoceroylsphingosine [ C42 H83 N O3, db=98.89, overall=49.44, HMP \
ID=HMDB00831, KEGG ID= ]", ""}}, {861.593, 15.911041, "Meta"} -> 
    {{151735, 1, 136475}, {"", ""}}, {849.6617, 15.960544, "Meta"} -> 
    {{7249243, 7303076, 6651727}, {"", ""}}, {606.5589, 16.002474, "Meta"} -> 
    {{2331577, 1582462, 1200524}, {"", ""}}, {887.608, 15.950258, "Meta"} -> 
    {{173209, 184986, 108265}, {"", ""}}, {646.5512, 16.021963, "Meta"} -> 
    {{4539592, 1, 2724611}, {"1-(9Z-octadecenoyl)-2-(11Z,14Z-eicosadienoyl)-s\
n-glycerol [ C41 H74 O5, db=90.48, overall=45.24, KEGG ID=, CAS ID= ]", ""}}, 
   {669.6274, 16.021229, "Meta"} -> {{495128, 394956, 268061}, {"", ""}}, 
   {663.653, 16.021738, "Meta"} -> {{91479, 86333, 89964}, 
     {"Ceramide (d18:1/25:0) [ C43 H85 N O3, db=93.46, overall=46.73, HMP \
ID=HMDB04957, KEGG ID= ]", ""}}, {580.3012, 15.999072, "Meta"} -> 
    {{196533, 212082, 206864}, {"", ""}}, {641.5965, 16.03561, "Meta"} -> 
    {{3631141, 2687156, 1844517}, {"", ""}}, {633.6424, 16.0732, "Meta"} -> 
    {{358931, 341100, 559721}, {"", ""}}, {875.6776, 16.05178, "Meta"} -> 
    {{4910778, 5665966, 4893487}, {"", ""}}, {877.6932, 16.229668, "Meta"} -> 
    {{1.02*^7, 9524721, 8370610}, {"", ""}}, {903.7076, 16.322107, "Meta"} -> 
    {{1240265, 1596105, 1706388}, {"", ""}}, 
   {958.9559, 0.36646155, "Meta"} -> {{32656, 31976, 29706}, {"", ""}}, 
   {2422.0625, 0.37100002, "Meta"} -> {{30889, 30497, 32815}, {"", ""}}, 
   {1742.01, 0.37975758, "Meta"} -> {{40448, 36724, 38165}, {"", ""}}, 
   {1578.0028, 0.38074994, "Meta"} -> {{47447, 1, 49299}, {"", ""}}, 
   {1988.023, 0.37995836, "Meta"} -> {{24239, 25308, 24312}, {"", ""}}, 
   {1824.0161, 0.38057694, "Meta"} -> {{35492, 32009, 35884}, {"", ""}}, 
   {547.9159, 0.39203572, "Meta"} -> {{1, 139780, 135245}, {"", ""}}, 
   {721.7918, 0.40096295, "Meta"} -> {{1, 1, 21326}, {"", ""}}, 
   {557.7853, 0.40799993, "Meta"} -> {{140801, 130576, 1}, {"", ""}}, 
   {791.6165, 0.41215378, "Meta"} -> {{17543, 1, 17069}, {"", ""}}, 
   {633.7165, 0.41170967, "Meta"} -> {{26175, 1, 1}, {"", ""}}, 
   {252.1202, 0.45106667, "Meta"} -> {{1, 70623, 71271}, 
     {"Pro His [ C11 H16 N4 O3, db=76.47, overall=38.23 ]", ""}}, 
   {246.1942, 0.46209374, "Meta"} -> {{87051, 94383, 87737}, {"", ""}}, 
   {278.1842, 0.46203128, "Meta"} -> {{44094, 41255, 41941}, {"", ""}}, 
   {304.1997, 0.46772003, "Meta"} -> {{37114, 37047, 37721}, {"", ""}}, 
   {218.1628, 0.46839395, "Meta"} -> {{88550, 84289, 82538}, {"", ""}}, 
   {274.1643, 0.46503848, "Meta"} -> {{88343, 41740, 85170}, 
     {"Ala Gly Lys [ C11 H22 N4 O4, db=47.47, overall=23.74 ]", ""}}, 
   {380.0201, 0.5091111, "Meta"} -> {{1, 67935, 27680}, {"", ""}}, 
   {352.0515, 0.53367996, "Meta"} -> {{1, 37636, 1}, {"", ""}}, 
   {135.068, 0.55345714, "Meta"} -> {{186709, 176474, 299895}, 
     {"2-Phenylacetamide [ C8 H9 N O, db=85.97, overall=42.98, KEGG \
ID=C02505, CAS ID=103-81-1 ]", "103-81-1"}}, {281.1835, 0.605074, "Meta"} -> 
    {{129187, 100866, 67401}, {"", ""}}, {115.0629, 0.69411117, "Meta"} -> 
    {{113739, 430690, 179700}, {"Proline [ C5 H9 N O2, db=79.13, \
overall=39.57, KEGG ID=C00148, CAS ID=147-85-3 ]", "147-85-3"}}, 
   {131.0587, 0.6995, "Meta"} -> {{1, 78345, 1}, {"Trans-4-Hydroxy-L-proline \
[ C5 H9 N O3, db=60.12, overall=30.06, KEGG ID=, CAS ID=51-35-4 ]", 
      "51-35-4"}}, {526.0667, 0.66112, "Meta"} -> 
    {{18784, 21502, 1}, {"", ""}}, {380.0206, 0.6642414, "Meta"} -> 
    {{36190, 228946, 33708}, {"", ""}}, {306.0645, 0.74877775, "Meta"} -> 
    {{91681, 1, 80029}, {"", ""}}, {382.1085, 0.74347997, "Meta"} -> 
    {{102158, 1, 97405}, {"", ""}}, {345.1429, 0.8536799, "Meta"} -> 
    {{81216, 76370, 90465}, {"", ""}}, {138.0291, 0.95441395, "Meta"} -> 
    {{1, 40088, 67944}, {"", ""}}, {172.0702, 0.99353826, "Meta"} -> 
    {{2.51*^7, 1, 1}, {"", ""}}, {167.1155, 1.0165, "Meta"} -> 
    {{1, 442678, 589699}, {"", ""}}, {374.102, 1.0232002, "Meta"} -> 
    {{99351, 73505, 112514}, {"", ""}}, {143.0731, 1.2776923, "Meta"} -> 
    {{374672, 384094, 385047}, {"", ""}}, {145.0524, 1.2775834, "Meta"} -> 
    {{631538, 702508, 662815}, {"Isoquinoline N-oxide [ C9 H7 N O, db=90.43, \
overall=45.21, KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, 
   {219.1104, 1.44356, "Meta"} -> {{1, 1, 47589}, {"Pantothenic Acid [ C9 H17 \
N O5, db=54.47, overall=27.23, KEGG ID=, CAS ID=137-08-6 ]", "137-08-6"}}, 
   {309.1688, 3.743654, "Meta"} -> {{1, 17478, 24309}, 
     {"Pro Pro Pro [ C15 H23 N3 O4, db=83.74, overall=41.87 ]", ""}}, 
   {579.254, 6.318081, "Meta"} -> {{1, 1, 1}, {"2-[[(3a,5b,7b)-7-hydroxy-24-o\
xo-3-(sulfooxy)cholan-24-yl]amino]-Ethanesulfonic acid [ C26 H45 N O9 S2, \
db=83.71, overall=41.85, HMP ID=HMDB02449, KEGG ID= ]", ""}}, 
   {419.4932, 6.474, "Meta"} -> {{32928, 19934, 24254}, {"", ""}}, 
   {723.3073, 6.4805007, "Meta"} -> {{54458, 53265, 54690}, {"", ""}}, 
   {420.8636, 6.645, "Meta"} -> {{96616, 96242, 87770}, {"", ""}}, 
   {414.1035, 7.120406, "Meta"} -> {{19883, 23569, 21797}, {"", ""}}, 
   {1517.675, 7.538903, "Meta"} -> {{67727, 80425, 88867}, {"", ""}}, 
   {1106.4865, 7.75332, "Meta"} -> {{84925, 110609, 129642}, {"", ""}}, 
   {427.849, 7.8510604, "Meta"} -> {{110844, 109356, 102629}, {"", ""}}, 
   {239.9882, 8.1396, "Meta"} -> {{61138, 373390, 668414}, {"", ""}}, 
   {313.2252, 8.670879, "Meta"} -> {{35263, 1, 1}, {"", ""}}, 
   {465.1866, 8.675655, "Meta"} -> {{126852, 121373, 147773}, 
     {"Biotripyrrin-b [ C25 H27 N3 O6, db=43.66, overall=21.83, HMP \
ID=HMDB03324, KEGG ID= ]", ""}}, {602.3041, 9.497844, "Meta"} -> 
    {{15345, 19079, 16598}, {"", ""}}, {559.2988, 9.497002, "Meta"} -> 
    {{21219, 17593, 21658}, {"", ""}}, {263.127, 9.515958, "Meta"} -> 
    {{37168, 1, 29940}, {"", ""}}, {420.2259, 9.685075, "Meta"} -> 
    {{30267, 26546, 20926}, 
     {"His His Lys [ C18 H28 N8 O4, db=54.50, overall=27.25 ]", ""}}, 
   {240.1338, 9.749299, "Meta"} -> {{57589, 52772, 81251}, {"", ""}}, 
   {176.0454, 9.963879, "Meta"} -> {{67728, 1, 58554}, {"", ""}}, 
   {533.1125, 10.0555, "Meta"} -> {{25501, 20355, 17596}, 
     {"Indomethacin glucuronide [ C25 H24 Cl N O10, db=40.58, overall=20.29, \
KEGG ID=, CAS ID=75523-11-4 ]", "75523-11-4"}}, 
   {593.1437, 10.055286, "Meta"} -> {{32411, 23389, 17852}, {"", ""}}, 
   {536.1192, 10.055125, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {335.1544, 10.10977, "Meta"} -> {{21544, 1, 31246}, 
     {"Cys Leu Thr [ C13 H25 N3 O5 S, db=37.55, overall=18.77 ]", ""}}, 
   {630.2684, 10.324069, "Meta"} -> {{42036, 1, 59023}, {"", ""}}, 
   {219.129, 10.36744, "Meta"} -> {{563812, 102385, 472350}, {"", ""}}, 
   {250.1198, 10.418655, "Meta"} -> {{1, 25242, 25003}, 
     {"Ubiquinone [ C14 H18 O4, db=60.72, overall=30.36, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {302.184, 10.730654, "Meta"} -> 
    {{1, 37739, 35520}, {"", ""}}, {323.228, 10.9723625, "Meta"} -> 
    {{437704, 465409, 343081}, {"", ""}}, {171.162, 11.016933, "Meta"} -> 
    {{56497, 24247, 26295}, {"", ""}}, {564.3483, 11.143167, "Meta"} -> 
    {{149037, 161096, 150192}, {"", ""}}, {273.0832, 11.159881, "Meta"} -> 
    {{303524, 1, 294257}, {"", ""}}, {503.2805, 11.289723, "Meta"} -> 
    {{1, 20546, 29903}, {"", ""}}, {396.1934, 11.289607, "Meta"} -> 
    {{35724, 33443, 41978}, {"Pregnenolone sulfate [ C21 H32 O5 S, db=58.26, \
overall=29.13, HMP ID=HMDB00774, KEGG ID= ]", ""}}, 
   {475.2532, 11.290502, "Meta"} -> {{1, 50533, 66030}, {"", ""}}, 
   {632.2486, 11.370108, "Meta"} -> {{77930, 83060, 112118}, {"", ""}}, 
   {580.226, 11.39536, "Meta"} -> {{1, 1, 8603}, {"", ""}}, 
   {456.167, 11.397059, "Meta"} -> {{1, 23120, 23187}, {"", ""}}, 
   {395.3032, 11.612541, "Meta"} -> {{31347, 29924, 27765}, {"", ""}}, 
   {360.3347, 11.940929, "Meta"} -> {{1, 20950, 32604}, {"", ""}}, 
   {171.1081, 11.943874, "Meta"} -> {{403577, 569146, 2182438}, {"", ""}}, 
   {396.2831, 12.028556, "Meta"} -> {{114086, 1620858, 1}, {"", ""}}, 
   {313.2616, 12.047375, "Meta"} -> {{1, 262249, 549508}, {"", ""}}, 
   {842.5207, 12.128361, "Meta"} -> {{1, 87893, 89294}, 
     {"Spiramycin 1 [ C43 H74 N2 O14, db=60.72, overall=30.36, KEGG \
ID=C01754, CAS ID=24916-50-5 ]", "24916-50-5"}}, 
   {604.1137, 12.167592, "Meta"} -> {{13048, 17020, 14205}, {"", ""}}, 
   {381.9989, 12.185469, "Meta"} -> {{30029, 40284, 34754}, {"", ""}}, 
   {572.2186, 12.2466, "Meta"} -> {{21256, 23044, 18235}, {"", ""}}, 
   {396.1641, 12.277833, "Meta"} -> {{1, 22155, 18453}, 
     {"Asn Tyr Thr [ C17 H24 N4 O7, db=61.81, overall=30.90 ]", ""}}, 
   {254.0726, 12.292558, "Meta"} -> {{76162, 80186, 47597}, 
     {"Acetaminophen-cysteine [ C11 H14 N2 O3 S, db=76.73, overall=38.36, \
KEGG ID=, CAS ID=64014-06-8 ]", "64014-06-8"}}, 
   {322.1171, 12.32875, "Meta"} -> {{39848, 1, 21677}, {"", ""}}, 
   {614.4236, 12.339584, "Meta"} -> {{157627, 1, 1}, {"", ""}}, 
   {323.2098, 12.388596, "Meta"} -> {{95638, 101084, 136034}, 
     {"Betaxolol(hydroxylation) [ C18 H29 N O4, db=71.49, overall=35.74, KEGG \
ID=, CAS ID=87549-35-7 ]", "87549-35-7"}}, {618.251, 12.430832, "Meta"} -> 
    {{47909, 38261, 49638}, {"", ""}}, {438.3565, 12.462166, "Meta"} -> 
    {{34788, 35684, 34988}, {"", ""}}, {724.4581, 12.46508, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {336.228, 12.510321, "Meta"} -> 
    {{90427, 93334, 95850}, {"15-epi-PGA1 [ C20 H32 O4, db=70.01, \
overall=35.01, Lipid ID=LMFA03010047, KEGG ID= ]", ""}}, 
   {431.3032, 12.516041, "Meta"} -> {{1, 171198, 164476}, {"", ""}}, 
   {339.2776, 12.558571, "Meta"} -> {{60887, 58401, 70130}, {"", ""}}, 
   {359.2849, 12.620791, "Meta"} -> {{105687, 98439, 105311}, {"", ""}}, 
   {1120.5815, 12.721594, "Meta"} -> {{16323, 1, 18145}, {"", ""}}, 
   {360.0762, 12.647442, "Meta"} -> {{29868, 21452, 19511}, {"", ""}}, 
   {870.5521, 12.68296, "Meta"} -> {{1, 97847, 102809}, {"", ""}}, 
   {594.374, 12.7149315, "Meta"} -> {{54957, 64753, 61023}, 
     {"7,8-Didehydroastaxanthin [ C40 H50 O4, db=74.93, overall=37.46, Lipid \
ID=LMPR01070051, KEGG ID= ]", ""}}, {909.6228, 12.728479, "Meta"} -> 
    {{100330, 74736, 78029}, {"", ""}}, {372.2657, 12.741412, "Meta"} -> 
    {{28765, 1, 1}, {"(22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid [ C24 \
H36 O3, db=63.76, overall=31.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {354.3241, 12.753935, "Meta"} -> {{26370, 33288, 37281}, {"", ""}}, 
   {633.4446, 12.767465, "Meta"} -> {{41641, 43526, 42513}, {"", ""}}, 
   {638.4002, 12.7673855, "Meta"} -> {{35049, 64322, 38678}, {"", ""}}, 
   {546.238, 12.80944, "Meta"} -> {{106967, 95364, 95857}, {"", ""}}, 
   {430.2145, 12.858498, "Meta"} -> {{17824, 29070, 15130}, {"", ""}}, 
   {381.2643, 12.864834, "Meta"} -> {{97069, 100411, 76138}, 
     {"Sphinganine 1-phosphate [ C18 H40 N O5 P, db=61.19, overall=30.59, \
KEGG ID=C01120, CAS ID=19794-97-9 ]", "19794-97-9"}}, 
   {598.4292, 12.9028635, "Meta"} -> {{412631, 419789, 70376}, {"", ""}}, 
   {914.5791, 12.90653, "Meta"} -> {{39421, 54748, 46285}, {"", ""}}, 
   {909.6228, 12.903775, "Meta"} -> {{48762, 51460, 49566}, {"", ""}}, 
   {262.1504, 12.906483, "Meta"} -> {{31378, 1, 1}, {"", ""}}, 
   {1613.9202, 12.9604435, "Meta"} -> {{44460, 43319, 48212}, {"", ""}}, 
   {519.8025, 12.93093, "Meta"} -> {{55127, 1, 70288}, {"", ""}}, 
   {982.6032, 12.922208, "Meta"} -> {{48341, 48022, 57749}, {"", ""}}, 
   {1024.6497, 12.9421835, "Meta"} -> {{1025617, 664728, 794653}, {"", ""}}, 
   {1148.6115, 12.963801, "Meta"} -> {{70656, 76139, 73894}, {"", ""}}, 
   {507.3326, 12.98204, "Meta"} -> {{113798, 114880, 106979}, {"", ""}}, 
   {1559.8555, 12.970627, "Meta"} -> {{17434, 1, 1}, {"", ""}}, 
   {1042.6005, 12.993199, "Meta"} -> {{184204, 177983, 167843}, {"", ""}}, 
   {1037.118, 13.003001, "Meta"} -> {{37119, 35832, 42429}, {"", ""}}, 
   {427.3661, 13.001041, "Meta"} -> {{336941, 281413, 208645}, 
     {"Stearoylcarnitine [ C25 H49 N O4, db=99.56, overall=49.78, HMP \
ID=HMDB00848, KEGG ID= ]", ""}}, {1065.1241, 13.043728, "Meta"} -> 
    {{116046, 107149, 93645}, {"", ""}}, {3153.9402, 13.013799, "Meta"} -> 
    {{1, 91199, 1}, {"", ""}}, {1062.6643, 13.043032, "Meta"} -> 
    {{4.22*^7, 3.96*^7, 4.78*^7}, {"", ""}}, 
   {1691.9418, 13.075117, "Meta"} -> {{1, 41700, 59032}, {"", ""}}, 
   {1124.6125, 13.074121, "Meta"} -> {{364599, 1, 344688}, {"", ""}}, 
   {840.5426, 13.075176, "Meta"} -> {{168148, 168232, 157876}, {"", ""}}, 
   {1610.915, 13.078408, "Meta"} -> {{86230, 95045, 101554}, {"", ""}}, 
   {183.0655, 13.115752, "Meta"} -> {{202740, 197751, 181234}, {"", ""}}, 
   {2538.609, 13.147432, "Meta"} -> {{63884, 70662, 45246}, {"", ""}}, 
   {2562.6084, 13.136644, "Meta"} -> {{82100, 160362, 119633}, {"", ""}}, 
   {545.2796, 13.128334, "Meta"} -> {{1, 1, 24447}, {"", ""}}, 
   {1553.9612, 13.132172, "Meta"} -> {{1, 87022, 1}, {"", ""}}, 
   {569.3479, 13.150904, "Meta"} -> {{2067178, 1723950, 1899115}, {"", ""}}, 
   {1354.8588, 13.150917, "Meta"} -> {{30608, 28212, 31192}, {"", ""}}, 
   {1645.9559, 13.165126, "Meta"} -> {{128220, 75520, 110685}, {"", ""}}, 
   {559.2929, 13.138584, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {384.2382, 13.160249, "Meta"} -> {{19562, 16769, 18929}, {"", ""}}, 
   {883.525, 13.1601515, "Meta"} -> {{90672, 89963, 90842}, {"", ""}}, 
   {319.2722, 13.161035, "Meta"} -> {{235997, 207043, 212038}, {"", ""}}, 
   {662.3214, 13.161371, "Meta"} -> {{26745, 15893, 15042}, {"", ""}}, 
   {643.322, 13.174154, "Meta"} -> {{24165, 28002, 1}, {"", ""}}, 
   {583.2961, 13.172579, "Meta"} -> {{189336, 184115, 180549}, {"", ""}}, 
   {1505.898, 13.17625, "Meta"} -> {{24852, 20518, 19442}, {"", ""}}, 
   {970.6001, 13.182221, "Meta"} -> {{416292, 125740, 123146}, {"", ""}}, 
   {3039.9446, 13.20112, "Meta"} -> {{39592, 50555, 42872}, {"", ""}}, 
   {2967.8972, 13.195209, "Meta"} -> {{41062, 36593, 35430}, {"", ""}}, 
   {2498.639, 13.222151, "Meta"} -> {{278582, 91203, 70597}, {"", ""}}, 
   {1512.0118, 13.256168, "Meta"} -> {{346830, 463328, 403240}, {"", ""}}, 
   {788.5499, 13.282076, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1557.9952, 13.283399, "Meta"} -> {{454789, 314839, 300648}, {"", ""}}, 
   {2664.6548, 13.3012495, "Meta"} -> {{364144, 285585, 298373}, {"", ""}}, 
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   {400.2826, 13.33677, "Meta"} -> {{42635, 38807, 58053}, 
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   {920.6287, 13.335076, "Meta"} -> {{310690, 37875, 290355}, {"", ""}}, 
   {426.2297, 13.336428, "Meta"} -> {{17532, 15928, 1}, 
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   {1002.7006, 13.568126, "Meta"} -> {{557756, 709258, 1308682}, {"", ""}}, 
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   {650.3126, 13.582882, "Meta"} -> {{32212, 44712, 47381}, {"", ""}}, 
   {1028.7163, 13.588923, "Meta"} -> {{910379, 1128206, 1386747}, {"", ""}}, 
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   {889.5718, 13.618206, "Meta"} -> {{47613, 38619, 38240}, {"", ""}}, 
   {330.2768, 13.61125, "Meta"} -> {{4484706, 3457489, 3186062}, 
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     {"Thr Met Arg [ C15 H30 N6 O5 S, db=36.71, overall=18.35 ]", ""}}, 
   {370.2482, 13.64018, "Meta"} -> {{75467, 62826, 64610}, 
     {"(20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid [ C24 H34 O3, \
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   {404.2562, 13.6432905, "Meta"} -> {{28719, 1, 29076}, 
     {"3alpha-Hydroxy-1,7-dioxo-5beta-cholan-24-oic Acid [ C24 H36 O5, \
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   {286.2291, 13.665809, "Meta"} -> {{37656, 27485, 1}, 
     {"11-cis-Retinol [ C20 H30 O, db=65.17, overall=32.58, Lipid \
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    {{1, 45986, 30397}, {"", ""}}, {545.8475, 13.691209, "Meta"} -> 
    {{1, 27703, 33291}, {"", ""}}, {1068.7097, 13.687207, "Meta"} -> 
    {{323926, 295855, 1}, {"", ""}}, {325.2975, 13.681, "Meta"} -> 
    {{45358, 67465, 70435}, {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, \
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   {701.5288, 13.692271, "Meta"} -> {{90675, 91051, 83097}, {"", ""}}, 
   {1372.908, 13.695891, "Meta"} -> {{138371, 130975, 137157}, {"", ""}}, 
   {1523.95, 13.699626, "Meta"} -> {{86239, 81305, 69164}, {"", ""}}, 
   {1004.6844, 13.699296, "Meta"} -> {{1014867, 1102113, 1331597}, {"", ""}}, 
   {1000.5864, 13.70054, "Meta"} -> {{32258, 32083, 41660}, {"", ""}}, 
   {410.2824, 13.69748, "Meta"} -> {{120316, 23680, 25351}, 
     {"24,25-epoxy-1alpha-hydroxy-22,22,23,23-tetradehydrovitamin D3 / \
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    {{198448, 279891, 261481}, {"", ""}}, {452.2117, 13.705769, "Meta"} -> 
    {{59641, 44291, 46530}, {"2H-Indol-2-one, \
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      "106916-15-8"}}, {867.6142, 13.707126, "Meta"} -> 
    {{40425, 40468, 39217}, {"", ""}}, {1343.0792, 13.708042, "Meta"} -> 
    {{39156, 35721, 30199}, {"", ""}}, {1028.7784, 13.708222, "Meta"} -> 
    {{409207, 339720, 309276}, {"TG(22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,\
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     {"7-hydroxy-5-heptynoic acid [ C7 H10 O3, db=77.60, overall=38.80, Lipid \
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    {{1, 128810, 252079}, {"", ""}}, {948.6602, 13.717423, "Meta"} -> 
    {{746850, 729974, 695071}, {"", ""}}, {906.56, 13.726791, "Meta"} -> 
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    {{224295, 139514, 193433}, {"", ""}}, {1097.7646, 13.7401, "Meta"} -> 
    {{445464, 447554, 465091}, {"", ""}}, {1570.0927, 13.769002, "Meta"} -> 
    {{2175437, 2300055, 2937186}, {"", ""}}, {1215.6873, 13.76275, "Meta"} -> 
    {{47651, 47410, 50717}, {"", ""}}, {605.3553, 13.761167, "Meta"} -> 
    {{155333, 141154, 183155}, {"", ""}}, {1614.0557, 13.773646, "Meta"} -> 
    {{1, 118964, 319568}, {"", ""}}, {2654.766, 13.775891, "Meta"} -> 
    {{1915048, 1804854, 1749687}, {"", ""}}, 
   {2146.3713, 13.775643, "Meta"} -> {{845352, 771985, 643658}, {"", ""}}, 
   {1317.8951, 13.782828, "Meta"} -> {{130109, 97100, 92676}, {"", ""}}, 
   {486.2722, 13.799001, "Meta"} -> {{23922, 1, 33165}, {"", ""}}, 
   {1493.9999, 13.813615, "Meta"} -> {{30816, 1, 55279}, {"", ""}}, 
   {1411.0074, 13.822881, "Meta"} -> {{256793, 266578, 274825}, {"", ""}}, 
   {364.3083, 13.814071, "Meta"} -> {{20872, 26178, 42237}, {"", ""}}, 
   {246.2344, 13.829058, "Meta"} -> {{34575, 35431, 38560}, 
     {"Dodecylbenzene [ C18 H30, db=83.32, overall=41.66, HMP ID=HMDB03542, \
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    {{45519, 1, 1}, {"Trihydroxycoprostanoic acid [ C28 H48 O5, db=58.21, \
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   {1273.8958, 13.833207, "Meta"} -> {{191816, 181008, 187529}, {"", ""}}, 
   {1692.0865, 13.839601, "Meta"} -> {{31386, 27732, 1}, {"", ""}}, 
   {615.5204, 13.8424425, "Meta"} -> {{1, 219236, 201740}, {"", ""}}, 
   {286.2509, 13.846881, "Meta"} -> {{693038, 667409, 660289}, 
     {"2-hydroxy-heptadecanoic acid [ C17 H34 O3, db=97.72, overall=48.86, \
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    {{25773, 27161, 25293}, {"", ""}}, {696.2766, 13.87254, "Meta"} -> 
    {{49760, 49599, 44408}, {"", ""}}, {332.1373, 13.873767, "Meta"} -> 
    {{35012, 1, 30858}, {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, \
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   {553.2424, 13.875352, "Meta"} -> {{137450, 129566, 131155}, {"", ""}}, 
   {940.4012, 13.875486, "Meta"} -> {{11758, 1, 1}, {"", ""}}, 
   {613.7682, 13.876518, "Meta"} -> {{53540, 54051, 1}, 
     {"Diatrizoate [ C11 H9 I3 N2 O4, db=75.97, overall=37.98, KEGG \
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    {{57066, 89171, 88983}, {"", ""}}, {1178.4764, 13.877108, "Meta"} -> 
    {{1, 16702, 1}, {"", ""}}, {1148.4653, 13.877125, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1210.502, 13.87775, "Meta"} -> 
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    {{70866, 61067, 67730}, {"", ""}}, {763.4538, 13.893353, "Meta"} -> 
    {{37869, 46844, 32250}, {"", ""}}, {874.6232, 13.896, "Meta"} -> 
    {{1, 306630, 293252}, {"", ""}}, {1026.6364, 13.899459, "Meta"} -> 
    {{70457, 73699, 86773}, {"", ""}}, {988.6857, 13.899965, "Meta"} -> 
    {{290685, 362072, 387914}, {"", ""}}, {1182.8066, 13.906625, "Meta"} -> 
    {{38327, 37193, 36999}, {"", ""}}, {1155.8073, 13.909867, "Meta"} -> 
    {{873792, 863676, 915075}, {"", ""}}, {1133.7634, 13.909791, "Meta"} -> 
    {{317487, 293735, 314787}, {"", ""}}, {1204.7888, 13.910968, "Meta"} -> 
    {{50028, 609708, 1}, {"", ""}}, {412.319, 13.933791, "Meta"} -> 
    {{598403, 59611, 84479}, {"", ""}}, {429.3453, 13.92668, "Meta"} -> 
    {{241844, 84793, 242581}, {"", ""}}, {457.2311, 13.933417, "Meta"} -> 
    {{63927, 52182, 41635}, {"", ""}}, {625.5645, 13.932321, "Meta"} -> 
    {{347714, 322257, 37435}, {"1,3-di-(9Z-octadecenoyl)-2-hydroxy-sn-glycero\
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   {392.1986, 13.933346, "Meta"} -> {{326814, 54465, 283296}, 
     {"Betamethasone [ C22 H29 F O5, db=56.48, overall=28.24, KEGG ID=C06848, \
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    {{366373, 423663, 415498}, {"", ""}}, {905.6038, 13.9305, "Meta"} -> 
    {{133361, 119972, 104714}, {"", ""}}, {326.2818, 13.934208, "Meta"} -> 
    {{236054, 195693, 216436}, {"14R-hydroxy-11Z-eicosenoic acid [ C20 H38 \
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   {1512.9745, 13.943259, "Meta"} -> {{71267, 83683, 64231}, {"", ""}}, 
   {404.3248, 13.940714, "Meta"} -> {{200118, 229487, 219505}, {"", ""}}, 
   {361.3192, 13.941904, "Meta"} -> {{899508, 800998, 752783}, {"", ""}}, 
   {638.4799, 13.954207, "Meta"} -> {{55070, 76547, 64864}, {"", ""}}, 
   {894.7203, 13.9559555, "Meta"} -> {{53314, 42486, 38898}, {"", ""}}, 
   {649.4322, 13.963917, "Meta"} -> {{299027, 154973, 322444}, {"", ""}}, 
   {817.5507, 13.970483, "Meta"} -> {{196679, 188138, 188522}, {"", ""}}, 
   {696.3306, 13.97226, "Meta"} -> {{36831, 34441, 29683}, {"", ""}}, 
   {368.3293, 13.973274, "Meta"} -> {{53904, 40671, 43375}, 
     {"2-oxo-tricosanoic acid [ C23 H44 O3, db=83.10, overall=41.55, Lipid \
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    {{129941, 136240, 128181}, {"", ""}}, {327.3138, 14.019958, "Meta"} -> 
    {{84361, 591930, 94287}, {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, \
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   {432.3443, 14.042667, "Meta"} -> {{6437502, 5979050, 623052}, {"", ""}}, 
   {1130.752, 14.0565195, "Meta"} -> {{1, 377875, 358550}, {"", ""}}, 
   {1081.7697, 14.056306, "Meta"} -> {{341055, 630953, 337205}, {"", ""}}, 
   {1301.9012, 14.060631, "Meta"} -> {{877151, 1, 873830}, {"", ""}}, 
   {1345.9271, 14.061594, "Meta"} -> {{792944, 815796, 839923}, {"", ""}}, 
   {547.3318, 14.088111, "Meta"} -> {{57982, 51198, 72280}, {"", ""}}, 
   {1416.8945, 14.065963, "Meta"} -> {{283590, 279547, 281902}, {"", ""}}, 
   {1478.0059, 14.069033, "Meta"} -> {{600523, 49429, 598819}, {"", ""}}, 
   {1539.0583, 14.065129, "Meta"} -> {{1, 287422, 27471}, {"", ""}}, 
   {388.3188, 14.077641, "Meta"} -> {{816052, 335107, 845388}, {"", ""}}, 
   {1671.1366, 14.077626, "Meta"} -> {{198429, 182136, 207731}, {"", ""}}, 
   {1759.1885, 14.088881, "Meta"} -> {{104955, 116283, 107186}, {"", ""}}, 
   {362.2226, 14.091807, "Meta"} -> {{55039, 57414, 65299}, {"", ""}}, 
   {406.2871, 14.089751, "Meta"} -> {{248095, 159430, 221080}, {"", ""}}, 
   {442.3058, 14.054035, "Meta"} -> {{223757, 114120, 210406}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
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    {{1, 490905, 437467}, {"Progesterone [ C21 H30 O2, db=66.34, \
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   {415.3467, 14.121041, "Meta"} -> {{1, 172094, 1}, 
     {"tomatidine [ C27 H45 N O2, db=66.95, overall=33.47, Lipid \
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    {{1, 30544, 30106}, {"", ""}}, {1107.9249, 14.142357, "Meta"} -> 
    {{65400, 49923, 50979}, {"", ""}}, {889.6583, 14.144666, "Meta"} -> 
    {{273482, 258665, 271499}, {"", ""}}, {784.6361, 14.144617, "Meta"} -> 
    {{232973, 193328, 187657}, {"", ""}}, {706.5926, 14.145374, "Meta"} -> 
    {{357191, 309181, 271915}, {"", ""}}, {1120.8586, 14.145665, "Meta"} -> 
    {{51152, 49838, 40888}, {"", ""}}, {535.496, 14.138332, "Meta"} -> 
    {{31416, 31629, 39868}, {"", ""}}, {798.6034, 14.14996, "Meta"} -> 
    {{52117, 49350, 1}, {"GPCho(18:0/19:3(9Z,12Z,15Z)[U]) [ C45 H85 N O8 P, \
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   {248.2501, 14.149543, "Meta"} -> {{56333, 55752, 61181}, {"", ""}}, 
   {467.2466, 14.092066, "Meta"} -> {{42866, 30941, 32640}, 
     {"Penbutolol glucuronide [ C24 H37 N O8, db=37.20, overall=18.60, KEGG \
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    {{140212, 128912, 92289}, {"", ""}}, {1130.8466, 14.151208, "Meta"} -> 
    {{154355, 143778, 119127}, {"", ""}}, {471.2462, 14.144727, "Meta"} -> 
    {{331639, 290126, 233785}, {"", ""}}, {511.4599, 14.152822, "Meta"} -> 
    {{343553, 280584, 295509}, {"", ""}}, {474.2492, 14.152304, "Meta"} -> 
    {{325625, 246407, 234592}, {"", ""}}, {431.361, 14.173369, "Meta"} -> 
    {{151834, 102032, 1}, {"", ""}}, {1541.0024, 14.186885, "Meta"} -> 
    {{45972, 46496, 49707}, {"", ""}}, {537.4757, 14.195916, "Meta"} -> 
    {{341963, 278279, 309835}, {"", ""}}, {1949.3077, 14.181482, "Meta"} -> 
    {{33995, 26840, 41725}, {"", ""}}, {1910.2386, 14.20512, "Meta"} -> 
    {{1, 1, 67588}, {"", ""}}, {661.5622, 14.189167, "Meta"} -> 
    {{849140, 607463, 570187}, {"", ""}}, {342.3608, 14.2178755, "Meta"} -> 
    {{30618, 32487, 36797}, {"", ""}}, {381.2554, 14.218654, "Meta"} -> 
    {{32293, 24789, 19842}, {"", ""}}, {592.5907, 14.224184, "Meta"} -> 
    {{67642, 204153, 74546}, {"", ""}}, {354.3608, 14.2303095, "Meta"} -> 
    {{19210, 33629, 46779}, {"", ""}}, {919.6819, 14.234096, "Meta"} -> 
    {{37772, 32942, 32122}, {"", ""}}, {551.3956, 14.253501, "Meta"} -> 
    {{1373706, 1323500, 1476033}, {"", ""}}, {342.255, 14.27097, "Meta"} -> 
    {{1.55*^7, 1.83*^7, 1.68*^7}, {"", ""}}, 
   {1114.7946, 14.253259, "Meta"} -> {{98157, 99836, 94425}, {"", ""}}, 
   {174.14, 14.273462, "Meta"} -> {{30679, 35325, 1}, {"", ""}}, 
   {540.4366, 14.265166, "Meta"} -> {{1, 85677, 112902}, {"", ""}}, 
   {537.5111, 14.26788, "Meta"} -> {{115882, 117174, 133069}, 
     {"N-Palmitoylsphingosine [ C34 H67 N O3, db=97.22, overall=48.61, HMP \
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    {{46243, 56804, 50220}, {"", ""}}, {493.3546, 14.284119, "Meta"} -> 
    {{191634, 204406, 240038}, {"", ""}}, {462.2603, 14.291335, "Meta"} -> 
    {{58398, 79337, 128235}, {"Retinyl glucuronide [ C26 H38 O7, db=72.43, \
overall=36.21, KEGG ID=, CAS ID=16639-19-3 ]", "16639-19-3"}}, 
   {294.165, 14.293693, "Meta"} -> {{96795, 128413, 201159}, {"", ""}}, 
   {1929.2153, 14.301193, "Meta"} -> {{103978, 1, 1}, {"", ""}}, 
   {1919.2993, 14.301039, "Meta"} -> {{40217, 42163, 39428}, {"", ""}}, 
   {678.0978, 14.303559, "Meta"} -> {{37357, 15963, 1}, {"", ""}}, 
   {660.1179, 14.307345, "Meta"} -> {{52789, 1, 43873}, {"", ""}}, 
   {616.0923, 14.309033, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1968.2823, 14.29344, "Meta"} -> {{45118, 1, 50862}, {"", ""}}, 
   {557.4655, 14.3256235, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {210.1611, 14.326935, "Meta"} -> {{34782, 30993, 32579}, 
     {"3E,5E-tridecadienoic acid [ C13 H22 O2, db=51.36, overall=25.68, Lipid \
ID=, KEGG ID= ]", ""}}, {280.2406, 14.322849, "Meta"} -> 
    {{176238, 115023, 171999}, {"13E,17-octadecadienoic acid [ C18 H32 O2, \
db=82.66, overall=41.33, Lipid ID=, KEGG ID= ]", ""}}, 
   {1302.9338, 14.329708, "Meta"} -> {{218393, 207485, 1}, {"", ""}}, 
   {1224.7938, 14.333634, "Meta"} -> {{105183, 124529, 125088}, {"", ""}}, 
   {1158.784, 14.347498, "Meta"} -> {{43256, 46388, 38093}, {"", ""}}, 
   {412.258, 14.357724, "Meta"} -> {{1, 8440471, 8535286}, {"", ""}}, 
   {224.1775, 14.381326, "Meta"} -> {{1030023, 163231, 1024747}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=80.34, overall=40.17, \
Lipid ID=, KEGG ID= ]", ""}}, {540.3789, 14.368897, "Meta"} -> 
    {{730600, 435379, 414697}, {"", ""}}, {266.2606, 14.390668, "Meta"} -> 
    {{56503, 45186, 1}, {"3E,13Z-octadecadien-1-ol [ C18 H34 O, db=80.14, \
overall=40.07, Lipid ID=, KEGG ID= ]", ""}}, 
   {1987.2571, 14.389832, "Meta"} -> {{55115, 47091, 1}, {"", ""}}, 
   {644.4889, 14.399479, "Meta"} -> {{201942, 202558, 233273}, {"", ""}}, 
   {782.5681, 14.399292, "Meta"} -> {{1260885, 1614042, 793690}, 
     {"GPCho(18:1(9Z)/18:3(9Z,12Z,15Z)[U]) [ C44 H81 N O8 P, db=94.15, \
overall=47.08, Lipid ID=LMGP01010899, KEGG ID= ]", ""}}, 
   {1982.2996, 14.399588, "Meta"} -> {{1, 74622, 1}, {"", ""}}, 
   {1977.3427, 14.395542, "Meta"} -> {{1, 1, 63297}, {"", ""}}, 
   {415.3658, 14.408801, "Meta"} -> {{177818, 269258, 137208}, {"", ""}}, 
   {1894.2448, 14.404812, "Meta"} -> {{143624, 152685, 1}, {"", ""}}, 
   {539.2676, 14.406583, "Meta"} -> {{43030, 50617, 24496}, {"", ""}}, 
   {258.1832, 14.399001, "Meta"} -> {{85334, 123015, 53475}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=63.45, overall=31.73, \
Lipid ID=, KEGG ID= ]", ""}}, {1674.1147, 14.420113, "Meta"} -> 
    {{272243, 252702, 1}, {"", ""}}, {1669.1595, 14.419, "Meta"} -> 
    {{182030, 195668, 192551}, {"", ""}}, {607.7394, 14.417484, "Meta"} -> 
    {{25105, 26192, 24215}, {"", ""}}, {690.5302, 14.423751, "Meta"} -> 
    {{108857, 91841, 96394}, {"", ""}}, {410.3766, 14.434156, "Meta"} -> 
    {{126683, 24112, 131415}, {"", ""}}, {1458.941, 14.442542, "Meta"} -> 
    {{1, 1, 167590}, {"", ""}}, {1360.9753, 14.447921, "Meta"} -> 
    {{97583, 136909, 170060}, {"", ""}}, {415.4019, 14.450322, "Meta"} -> 
    {{25652, 28203, 28503}, {"", ""}}, {1326.8624, 14.456611, "Meta"} -> 
    {{89414, 101660, 90768}, {"", ""}}, {433.3763, 14.454422, "Meta"} -> 
    {{122192, 58818, 146413}, {"(+/-)N-(2-fluro-ethyl)-2,16,16-trimethyl-5Z,8\
Z,11Z,14Z-tricosatetraenoyl amine [ C28 H48 F N O, db=67.24, overall=33.62, \
Lipid ID=, KEGG ID= ]", ""}}, {450.3702, 14.42675, "Meta"} -> 
    {{165977, 375188, 573032}, {"3alpha,12alpha,25-trihydroxy-5beta-cholestan\
-7-one [ C28 H50 O4, db=86.51, overall=43.25, Lipid ID=, KEGG ID= ]", ""}}, 
   {998.7598, 14.480124, "Meta"} -> {{35592, 52258, 45098}, {"", ""}}, 
   {568.4706, 14.499832, "Meta"} -> {{126334, 143291, 117560}, {"", ""}}, 
   {640.1112, 14.502998, "Meta"} -> {{45222, 1, 29912}, {"", ""}}, 
   {537.4164, 14.511375, "Meta"} -> {{930824, 1140872, 1270100}, {"", ""}}, 
   {1859.2772, 14.508418, "Meta"} -> {{69961, 71576, 70873}, {"", ""}}, 
   {820.8858, 14.511085, "Meta"} -> {{45743, 33528, 57708}, 
     {"Iohexol [ C19 H26 I3 N3 O9, db=28.84, overall=14.42, KEGG ID=, CAS \
ID=66108-95-0 ]", "66108-95-0"}}, {403.3657, 14.511079, "Meta"} -> 
    {{215819, 230920, 209500}, {"", ""}}, {484.3078, 14.513251, "Meta"} -> 
    {{57656, 39024, 32268}, {"", ""}}, {556.449, 14.513818, "Meta"} -> 
    {{219728, 205433, 208639}, {"", ""}}, {1727.2, 14.51852, "Meta"} -> 
    {{113389, 126255, 123949}, {"", ""}}, {371.3507, 14.486881, "Meta"} -> 
    {{33966, 48711, 45962}, {"", ""}}, {1428.9324, 14.556345, "Meta"} -> 
    {{47312, 48256, 48506}, {"", ""}}, {246.2343, 14.558037, "Meta"} -> 
    {{31937, 45095, 43454}, {"Dodecylbenzene [ C18 H30, db=85.43, \
overall=42.71, HMP ID=HMDB03542, KEGG ID= ]", ""}}, 
   {704.547, 14.558501, "Meta"} -> {{55042, 54627, 59928}, {"", ""}}, 
   {353.239, 14.559209, "Meta"} -> {{74518, 79774, 82918}, {"", ""}}, 
   {320.307, 14.586639, "Meta"} -> {{14712, 26999, 24701}, {"", ""}}, 
   {674.1341, 14.583749, "Meta"} -> {{1, 1, 20055}, {"", ""}}, 
   {1922.2782, 14.597296, "Meta"} -> {{112595, 1, 1}, {"", ""}}, 
   {648.6536, 14.599898, "Meta"} -> {{123785, 368419, 105528}, {"", ""}}, 
   {721.5625, 14.639969, "Meta"} -> {{71900, 107400, 93396}, {"", ""}}, 
   {796.2077, 14.596042, "Meta"} -> {{39062, 65853, 61682}, {"", ""}}, 
   {356.3766, 14.611617, "Meta"} -> {{67565, 173118, 94122}, {"", ""}}, 
   {729.6274, 14.614373, "Meta"} -> {{1165514, 41004, 894439}, {"", ""}}, 
   {616.4684, 14.621041, "Meta"} -> {{4444728, 6331530, 6075323}, {"", ""}}, 
   {292.1672, 14.630277, "Meta"} -> {{600584, 165189, 234870}, {"", ""}}, 
   {783.0571, 14.639333, "Meta"} -> {{62126, 60050, 53211}, {"", ""}}, 
   {516.2764, 14.643195, "Meta"} -> {{372065, 58935, 121737}, {"", ""}}, 
   {126.1405, 14.642334, "Meta"} -> {{388637, 101092, 172870}, {"", ""}}, 
   {449.3507, 14.649598, "Meta"} -> {{616352, 206214, 312195}, {"", ""}}, 
   {714.5294, 14.645124, "Meta"} -> {{105559, 102999, 170268}, 
     {"1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docos\
ahexaenoyl)-sn-glycerol [ C47 H70 O5, db=26.90, overall=13.45, KEGG ID=, CAS \
ID= ]", ""}}, {148.0158, 14.662999, "Meta"} -> {{824268, 223972, 377301}, 
     {"", ""}}, {1975.3611, 14.680179, "Meta"} -> {{51307, 60727, 52570}, 
     {"", ""}}, {1304.9498, 14.676501, "Meta"} -> {{194995, 181902, 184718}, 
     {"", ""}}, {1288.9882, 14.677895, "Meta"} -> {{81993, 419371, 359133}, 
     {"", ""}}, {314.2456, 14.663063, "Meta"} -> {{68050, 138004, 118969}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=84.30, overall=42.15, HMP \
ID=HMDB00782, KEGG ID= ]", ""}}, {1887.3066, 14.691118, "Meta"} -> 
    {{48496, 53012, 55093}, {"", ""}}, {718.5628, 14.687387, "Meta"} -> 
    {{474469, 423666, 453636}, {"", ""}}, {623.4396, 14.6919565, "Meta"} -> 
    {{44519, 70942, 52814}, {"", ""}}, {645.6059, 14.685749, "Meta"} -> 
    {{59849, 60911, 71912}, {"", ""}}, {628.3971, 14.698038, "Meta"} -> 
    {{40926, 44045, 57710}, {"", ""}}, {1843.2805, 14.697259, "Meta"} -> 
    {{1, 62059, 44155}, {"", ""}}, {648.5186, 14.694042, "Meta"} -> 
    {{173160, 164865, 187173}, {"", ""}}, {408.3972, 14.705543, "Meta"} -> 
    {{71203, 30750, 73482}, {"2,4-dimethyl-2-pentacosenoic acid [ C27 H52 O2, \
db=74.43, overall=37.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {1226.7506, 14.711852, "Meta"} -> {{193110, 217866, 215911}, 
     {"Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=97.82, \
overall=48.91, HMP ID=HMDB04902, KEGG ID= ]", ""}}, 
   {645.4183, 14.717676, "Meta"} -> {{124774, 117011, 146894}, {"", ""}}, 
   {698.468, 14.730161, "Meta"} -> {{75830, 60459, 76305}, {"", ""}}, 
   {758.5008, 14.730802, "Meta"} -> {{61170, 72626, 63591}, {"", ""}}, 
   {337.2991, 14.743073, "Meta"} -> {{179570, 306104, 184133}, {"", ""}}, 
   {567.4826, 14.741691, "Meta"} -> {{46185, 92719, 1}, {"", ""}}, 
   {335.2823, 14.734916, "Meta"} -> {{1, 340950, 220854}, {"", ""}}, 
   {224.1774, 14.743076, "Meta"} -> {{40038, 41755, 1}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=58.15, overall=29.08, \
Lipid ID=, KEGG ID= ]", ""}}, {311.2823, 14.741, "Meta"} -> 
    {{235385, 442471, 236645}, {"", ""}}, {410.3415, 14.759458, "Meta"} -> 
    {{2408666, 485062, 1}, {"", ""}}, {578.4528, 14.761768, "Meta"} -> 
    {{80844, 67759, 83222}, {"", ""}}, {821.8807, 14.768291, "Meta"} -> 
    {{42858, 51710, 57510}, {"", ""}}, {454.306, 14.7669325, "Meta"} -> 
    {{1392194, 317092, 528171}, {"26,26,26-trifluoro-25-hydroxyvitamin D3 / \
26,26,26-trifluoro-25-hydroxycholecalciferol [ C27 H41 F3 O2, db=96.49, \
overall=48.25, Lipid ID=LMST03020131, KEGG ID= ]", ""}}, 
   {754.4952, 14.762309, "Meta"} -> {{28825, 28242, 35190}, {"", ""}}, 
   {544.4848, 14.776436, "Meta"} -> {{53072, 62116, 52848}, {"", ""}}, 
   {1023.6713, 14.774457, "Meta"} -> {{96015, 147669, 129736}, 
     {"Trihexosylceramide (d18:1/16:0) [ C52 H97 N O18, db=90.02, \
overall=45.01, HMP ID=HMDB04879, KEGG ID= ]", ""}}, 
   {278.1698, 14.775679, "Meta"} -> {{57421, 100606, 93245}, {"", ""}}, 
   {647.6214, 14.772876, "Meta"} -> {{63023, 65972, 81950}, 
     {"Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, db=98.12, overall=49.06, \
HMP ID=HMDB04953, KEGG ID= ]", ""}}, {434.3759, 14.783721, "Meta"} -> 
    {{143132, 144520, 166350}, {"6-deoxoteasterone [ C28 H50 O3, db=63.15, \
overall=31.57, Lipid ID=LMST01030120, KEGG ID= ]", ""}}, 
   {724.4845, 14.780425, "Meta"} -> {{21305, 1, 19782}, {"", ""}}, 
   {406.3782, 14.821377, "Meta"} -> {{55069, 30336, 40785}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=55.72, \
overall=27.86, Lipid ID=, KEGG ID= ]", ""}}, {704.5472, 14.802679, "Meta"} -> 
    {{81246, 76444, 94339}, {"", ""}}, {1249.0677, 14.813335, "Meta"} -> 
    {{38522, 1, 1}, {"", ""}}, {843.4971, 14.847156, "Meta"} -> 
    {{125831, 128066, 131726}, {"", ""}}, {2045.5883, 14.842042, "Meta"} -> 
    {{107030, 37606, 112915}, {"", ""}}, {2720.1182, 14.840377, "Meta"} -> 
    {{160214, 426180, 196615}, {"", ""}}, {2061.5564, 14.8452215, "Meta"} -> 
    {{261554, 237908, 257764}, {"", ""}}, {1239.9836, 14.848166, "Meta"} -> 
    {{106820, 84067, 111504}, {"", ""}}, {1387.0208, 14.848454, "Meta"} -> 
    {{587710, 488521, 610673}, {"", ""}}, {565.4473, 14.858251, "Meta"} -> 
    {{452105, 404168, 566539}, {"", ""}}, {1226.951, 14.852665, "Meta"} -> 
    {{62023, 62732, 77055}, {"", ""}}, {1419.0518, 14.88988, "Meta"} -> 
    {{20494, 17589, 21351}, {"", ""}}, {455.3974, 14.8894205, "Meta"} -> 
    {{176525, 76231, 25063}, {"", ""}}, {483.4287, 14.892069, "Meta"} -> 
    {{296330, 179424, 55656}, {"", ""}}, {1375.0894, 14.895823, "Meta"} -> 
    {{1297735, 1289005, 1353443}, {"", ""}}, {469.413, 14.892142, "Meta"} -> 
    {{998221, 715850, 122822}, {"", ""}}, {280.2035, 14.893897, "Meta"} -> 
    {{258769, 110067, 45676}, 
     {"12S-HHTrE [ C17 H28 O3, db=88.18, overall=44.09, KEGG ID=, CAS ID= ]", 
      ""}}, {2113.588, 14.897228, "Meta"} -> {{126977, 117093, 111959}, 
     {"", ""}}, {1292.0153, 14.903293, "Meta"} -> {{296467, 316386, 321002}, 
     {"", ""}}, {2139.604, 14.913654, "Meta"} -> {{1, 387303, 371064}, 
     {"", ""}}, {1521.0576, 14.912457, "Meta"} -> 
    {{27783, 44087, 1}, {"", ""}}, {738.4997, 14.919686, "Meta"} -> 
    {{1263072, 1123066, 1174377}, {"", ""}}, 
   {1885.4286, 14.923374, "Meta"} -> {{40154, 27381, 41400}, {"", ""}}, 
   {892.7136, 14.926122, "Meta"} -> {{656648, 200928, 117392}, {"", ""}}, 
   {406.3781, 14.850402, "Meta"} -> {{46410, 30415, 37068}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=63.39, \
overall=31.69, Lipid ID=, KEGG ID= ]", ""}}, {607.4578, 14.934502, "Meta"} -> 
    {{162211, 122746, 154741}, {"", ""}}, {1389.1053, 14.947632, "Meta"} -> 
    {{1251999, 1336752, 1319745}, {"", ""}}, 
   {1363.0868, 14.951377, "Meta"} -> {{117164, 140202, 145677}, {"", ""}}, 
   {1415.0522, 14.961962, "Meta"} -> {{214207, 194169, 187353}, {"", ""}}, 
   {857.512, 14.964919, "Meta"} -> {{79359, 61941, 87818}, {"", ""}}, 
   {1142.867, 14.976418, "Meta"} -> {{22060, 18375, 14737}, {"", ""}}, 
   {1266.9861, 14.97788, "Meta"} -> {{84132, 72849, 205600}, {"", ""}}, 
   {1154.8688, 14.982498, "Meta"} -> {{62651, 53363, 31446}, {"", ""}}, 
   {390.277, 15.002232, "Meta"} -> {{390803, 276213, 283711}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=85.91, \
overall=42.95, Lipid ID=, KEGG ID= ]", ""}}, {752.5832, 15.019201, "Meta"} -> 
    {{100503, 283386, 120394}, {"", ""}}, {484.3526, 15.004758, "Meta"} -> 
    {{44844, 41700, 32045}, {"(22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimet\
hyl-23,24-tetradehydro-20-epivitamin D3 / (22S)-1alph [ C31 H48 O4, db=66.11, \
overall=33.06, Lipid ID=LMST03020487, KEGG ID= ]", ""}}, 
   {367.3811, 15.008845, "Meta"} -> {{54879, 44354, 45324}, {"", ""}}, 
   {677.5002, 15.038733, "Meta"} -> {{514054, 375878, 432997}, 
     {"GPEtn(13:0/18:0)[U] [ C36 H72 N O8 P, db=95.91, overall=47.95, Lipid \
ID=LMGP02010240, KEGG ID= ]", ""}}, {1391.1198, 15.0320015, "Meta"} -> 
    {{286087, 285833, 295671}, {"", ""}}, {1454.0837, 15.034749, "Meta"} -> 
    {{139764, 100377, 80091}, {"", ""}}, {1380.0681, 15.047085, "Meta"} -> 
    {{275551, 251275, 250944}, {"", ""}}, {755.4903, 15.05794, "Meta"} -> 
    {{142423, 118577, 101737}, {"", ""}}, {784.5607, 15.058108, "Meta"} -> 
    {{57951, 54461, 69245}, {"", ""}}, {758.4878, 15.060915, "Meta"} -> 
    {{516667, 409673, 415451}, {"", ""}}, {818.5122, 15.060144, "Meta"} -> 
    {{1, 191508, 154743}, {"", ""}}, {737.5, 15.062039, "Meta"} -> 
    {{71765, 1, 70243}, {"", ""}}, {1283.0142, 15.076242, "Meta"} -> 
    {{102229, 84409, 97873}, {"", ""}}, {2171.6577, 15.092257, "Meta"} -> 
    {{110949, 75421, 88773}, {"", ""}}, {995.0105, 15.10904, "Meta"} -> 
    {{17380, 1, 25286}, {"", ""}}, {488.4462, 15.100375, "Meta"} -> 
    {{26425, 28311, 32495}, {"", ""}}, {1469.0988, 15.108223, "Meta"} -> 
    {{198920, 139132, 174436}, {"", ""}}, {1506.1136, 15.1095, "Meta"} -> 
    {{217086, 178835, 292724}, {"", ""}}, {471.3568, 15.111719, "Meta"} -> 
    {{145818, 65275, 168524}, {"", ""}}, {1322.0612, 15.118584, "Meta"} -> 
    {{40020, 41984, 50011}, {"", ""}}, {828.6716, 15.138119, "Meta"} -> 
    {{99982, 101300, 104472}, {"", ""}}, {593.4785, 15.136201, "Meta"} -> 
    {{381584, 381522, 401313}, {"", ""}}, {697.5053, 15.145536, "Meta"} -> 
    {{59370, 50607, 65420}, {"1-tetrahexanoyl-2-(8-[3]-ladderane-octanyl)-sn-\
glycerophosphoethanolamine [ C39 H72 N O7 P, db=68.26, overall=34.13, Lipid \
ID=, KEGG ID= ]", ""}}, {803.5472, 15.149806, "Meta"} -> 
    {{2665830, 2389673, 2189230}, {"", ""}}, 
   {619.4939, 15.1440735, "Meta"} -> {{89027, 93156, 100913}, 
     {"CerP(d18:0/16:0) [ C34 H70 N O6 P, db=93.09, overall=46.55, Lipid \
ID=LMSP02050003, KEGG ID= ]", ""}}, {558.4257, 15.139498, "Meta"} -> 
    {{38377, 35131, 31441}, {"", ""}}, {622.4963, 15.142163, "Meta"} -> 
    {{23778, 27384, 25515}, {"", ""}}, {820.6892, 15.14996, "Meta"} -> 
    {{31862, 36266, 37774}, {"", ""}}, {893.5938, 15.154918, "Meta"} -> 
    {{29591, 33370, 32019}, {"", ""}}, {663.5204, 15.159599, "Meta"} -> 
    {{44909, 78828, 60376}, {"", ""}}, {779.5471, 15.188432, "Meta"} -> 
    {{3.07*^7, 3.01*^7, 2.54*^7}, {"", ""}}, {851.5445, 15.182407, "Meta"} -> 
    {{46759, 56366, 48558}, {"", ""}}, {805.5616, 15.247258, "Meta"} -> 
    {{7262059, 7406626, 7899484}, {"Galabiosylceramide (d18:1/12:0) [ C42 H79 \
N O13, db=66.51, overall=33.26, HMP ID=HMDB04831, KEGG ID= ]", ""}}, 
   {1489.1093, 15.274734, "Meta"} -> {{1, 548138, 1}, {"", ""}}, 
   {719.5459, 15.309272, "Meta"} -> {{17588, 20903, 24813}, 
     {"GPEtn(20:0/14:0)[U] [ C39 H78 N O8 P, db=86.95, overall=43.48, Lipid \
ID=LMGP02010177, KEGG ID= ]", ""}}, {1571.0496, 15.31023, "Meta"} -> 
    {{60193, 1, 97237}, {"", ""}}, {725.5362, 15.288499, "Meta"} -> 
    {{87928, 90770, 108428}, {"", ""}}, {873.5031, 15.313261, "Meta"} -> 
    {{47794, 68013, 78177}, {"", ""}}, {756.6148, 15.312764, "Meta"} -> 
    {{273049, 307352, 334655}, {"", ""}}, {1547.1289, 15.317959, "Meta"} -> 
    {{134220, 152533, 162815}, {"", ""}}, {1573.1439, 15.344415, "Meta"} -> 
    {{212906, 739112, 1242461}, {"", ""}}, {1549.1458, 15.37693, "Meta"} -> 
    {{1795076, 817366, 1946459}, {"", ""}}, {782.6284, 15.348928, "Meta"} -> 
    {{103812, 117473, 135058}, {"", ""}}, {952.5369, 15.360694, "Meta"} -> 
    {{42096, 41569, 36503}, {"", ""}}, {1525.1418, 15.393956, "Meta"} -> 
    {{1, 566989, 1107034}, {"", ""}}, {1491.1252, 15.387623, "Meta"} -> 
    {{47155, 47455, 51368}, {"", ""}}, {775.5518, 15.381926, "Meta"} -> 
    {{99222, 97137, 100154}, {"", ""}}, {875.5185, 15.418427, "Meta"} -> 
    {{41817, 47969, 47917}, {"", ""}}, {1595.19, 15.493964, "Meta"} -> 
    {{3166997, 1207915, 3781148}, {"", ""}}, {1579.1923, 15.52975, "Meta"} -> 
    {{1, 1, 1042000}, {"", ""}}, {954.5526, 15.542758, "Meta"} -> 
    {{166568, 137711, 183095}, {"", ""}}, {1557.2059, 15.597347, "Meta"} -> 
    {{635518, 517322, 776950}, {"", ""}}, {909.5775, 15.618968, "Meta"} -> 
    {{171110, 119137, 140023}, {"", ""}}, {1573.2028, 15.661559, "Meta"} -> 
    {{815742, 804421, 812218}, {"", ""}}, {1559.2216, 15.669201, "Meta"} -> 
    {{466083, 504433, 536671}, {"", ""}}, {602.5269, 15.669942, "Meta"} -> 
    {{40102, 36566, 32021}, {"1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-\
octanyl)-sn-glycerol [ C39 H70 O4, db=63.29, overall=31.64, Lipid ID=, KEGG \
ID= ]", ""}}, {843.6118, 15.722835, "Meta"} -> {{825471, 1, 787745}, 
     {"", ""}}, {834.6468, 15.719202, "Meta"} -> {{71982, 46547, 49423}, 
     {"", ""}}, {621.6059, 15.754334, "Meta"} -> {{33825, 37076, 45490}, 
     {"Ceramide (d18:1/22:0) [ C40 H79 N O3, db=87.19, overall=43.60, HMP \
ID=HMDB04952, KEGG ID= ]", ""}}, {838.6273, 15.792639, "Meta"} -> 
    {{101338, 128060, 100789}, {"GPCho(20:0/20:4(5Z,8Z,11Z,14Z)) [ C48 H89 N \
O8 P, db=55.85, overall=27.93, Lipid ID=LMGP01011023, KEGG ID= ]", ""}}, 
   {656.5704, 15.817416, "Meta"} -> {{1, 164441, 143213}, {"", ""}}, 
   {582.4434, 15.824362, "Meta"} -> {{33755, 32539, 38963}, 
     {"Spheroidenone [ C41 H58 O2, db=89.48, overall=44.74, Lipid \
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    {{68377, 64628, 55451}, {"", ""}}, {639.5801, 15.833317, "Meta"} -> 
    {{146075, 129099, 267931}, {"", ""}}, {635.6218, 15.840301, "Meta"} -> 
    {{82097, 94035, 93115}, {"Tricosanamide [ C41 H81 N O3, db=95.86, \
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   {747.6132, 15.858359, "Meta"} -> {{317842, 276529, 368625}, {"", ""}}, 
   {564.3964, 15.855876, "Meta"} -> {{22784, 30757, 26879}, 
     {"Alloxanthin/ Tetradehydrozeaxanthin / (Cynthiaxanthin)/ \
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    {{1627324, 1161228, 1205095}, {"", ""}}, {840.7075, 15.923631, "Meta"} -> 
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   {793.5295, 16.028925, "Meta"} -> {{169525, 119026, 84028}, {"", ""}}, 
   {684.6018, 16.037434, "Meta"} -> {{299218, 346153, 274083}, {"", ""}}, 
   {647.6577, 16.104456, "Meta"} -> {{31690, 27851, 40760}, {"", ""}}, 
   {901.6918, 16.16311, "Meta"} -> {{1732266, 1673126, 1597082}, {"", ""}}, 
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   {1046.6519, 16.208208, "Meta"} -> {{122033, 171744, 167580}, {"", ""}}, 
   {915.6391, 16.21967, "Meta"} -> {{365531, 382015, 314465}, {"", ""}}, 
   {674.5822, 16.300085, "Meta"} -> {{106052, 116467, 46417}, 
     {"1-(9Z,12Z,15Z-octadecatrienoyl)-2-docosanoyl-sn-glycerol [ C43 H78 O5, \
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   {669.6272, 16.306915, "Meta"} -> {{92725, 60981, 53537}, {"", ""}}, 
   {599.7973, 0.40380767, "Meta"} -> {{12226, 1, 18179}, {"", ""}}, 
   {657.758, 0.40885717, "Meta"} -> {{23282, 11883, 12136}, {"", ""}}, 
   {294.0586, 0.8043199, "Meta"} -> {{1, 103842, 1}, 
     {"2-Butanone, 4-[6-(sulfooxy)-2-naphthalenyl]- [ C14 H14 O5 S, db=75.51, \
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   {281.1835, 0.9314584, "Meta"} -> {{1, 51816, 1}, {"", ""}}, 
   {398.103, 10.056501, "Meta"} -> {{142770, 146021, 144654}, 
     {"7-Deoxyadriamycinone [ C21 H18 O8, db=72.55, overall=36.27, KEGG ID=, \
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    {{24265, 17536, 22865}, {"Gibberellin A9 [ C19 H24 O4, db=70.57, \
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   {360.3348, 12.153709, "Meta"} -> {{14148, 14735, 24693}, {"", ""}}, 
   {575.2531, 12.914229, "Meta"} -> {{1, 1, 72386}, {"", ""}}, 
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   {1054.6296, 13.4031925, "Meta"} -> {{227154, 156217, 1}, {"", ""}}, 
   {354.2764, 13.447666, "Meta"} -> {{154459, 140234, 122417}, 
     {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 O4, db=81.00, \
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    {{26198, 1, 18069}, {"3alpha-Hydroxy-1,7-dioxo-5beta-cholan-24-oic Acid [ \
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   {393.345, 13.526668, "Meta"} -> {{133238, 28460, 95616}, {"", ""}}, 
   {924.666, 13.533161, "Meta"} -> {{96664, 1, 41749}, {"", ""}}, 
   {669.1917, 13.736482, "Meta"} -> {{1, 81258, 1}, {"", ""}}, 
   {1290.8967, 13.782408, "Meta"} -> {{1, 44067, 56476}, {"", ""}}, 
   {635.9026, 13.919742, "Meta"} -> {{71261, 69814, 66353}, {"", ""}}, 
   {635.3999, 13.91975, "Meta"} -> {{130293, 133471, 134852}, {"", ""}}, 
   {516.3801, 14.114333, "Meta"} -> {{156774, 88858, 95652}, {"", ""}}, 
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   {931.215, 14.176583, "Meta"} -> {{1, 195287, 1}, {"", ""}}, 
   {586.1548, 14.178291, "Meta"} -> {{1, 46996, 1}, {"", ""}}, 
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   {1320.8715, 14.194332, "Meta"} -> {{148320, 200378, 1}, {"", ""}}, 
   {380.2015, 14.26752, "Meta"} -> {{22268, 21060, 1}, 
     {"fludrocortisone [ C21 H29 F O5, db=74.03, overall=37.01, KEGG \
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    {{52807, 36842, 56192}, {"", ""}}, {356.3763, 14.378928, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1889.2896, 14.402522, "Meta"} -> 
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    {{151796, 154604, 144026}, {"", ""}}, {368.2238, 14.477722, "Meta"} -> 
    {{52999, 37356, 32381}, {"Cinnarizine [ C26 H28 N2, db=69.13, \
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   {1917.3203, 14.597922, "Meta"} -> {{58469, 1, 1}, {"", ""}}, 
   {647.4032, 14.609459, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
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   {1443.0833, 15.060664, "Meta"} -> {{1, 934686, 899000}, {"", ""}}, 
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   {921.5034, 15.239142, "Meta"} -> {{16296, 14659, 14314}, {"", ""}}, 
   {788.0411, 15.420655, "Meta"} -> {{25221, 1, 1}, {"", ""}}, 
   {841.5162, 15.547038, "Meta"} -> {{1, 48478, 47003}, {"", ""}}, 
   {850.624, 15.728799, "Meta"} -> {{603430, 550016, 562645}, {"", ""}}, 
   {517.7982, 0.4096, "Meta"} -> {{16851, 1, 1}, {"", ""}}, 
   {666.2423, 12.18948, "Meta"} -> {{19353, 30486, 29931}, {"", ""}}, 
   {572.2543, 12.91816, "Meta"} -> {{85436, 1, 82506}, {"", ""}}, 
   {1595.9451, 12.915928, "Meta"} -> {{249198, 243701, 251873}, {"", ""}}, 
   {3109.9707, 13.280482, "Meta"} -> {{170915, 173121, 115493}, {"", ""}}, 
   {545.3454, 13.662582, "Meta"} -> {{3020635, 3232837, 2726407}, {"", ""}}, 
   {688.2758, 13.875841, "Meta"} -> {{19893, 1, 1}, {"", ""}}, 
   {1489.1554, 14.143559, "Meta"} -> {{1356673, 1218352, 1219074}, {"", ""}}, 
   {1390.9865, 14.3234005, "Meta"} -> {{260291, 286324, 268596}, {"", ""}}, 
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   {594.4261, 14.674281, "Meta"} -> {{1, 187464, 124479}, {"", ""}}, 
   {1457.1663, 15.1218405, "Meta"} -> {{1654905, 1412567, 1622696}, 
     {"", ""}}, {2310.636, 15.30744, "Meta"} -> {{49487, 52321, 52274}, 
     {"", ""}}, {467.2173, 13.542123, "Meta"} -> {{36276, 35186, 24790}, 
     {"Levobunolol glucuronide [ C23 H33 N O9, db=57.86, overall=28.93, KEGG \
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    {{37488, 37874, 39484}, {"", ""}}, {356.2327, 13.884462, "Meta"} -> 
    {{25460, 33781, 29758}, {"Estradiol valerate [ C23 H32 O3, db=46.24, \
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   {406.3805, 14.560919, "Meta"} -> {{63835, 1, 30432}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=58.66, \
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    {{106199, 26161, 19424}, {"", ""}}|>, 
 "13" -> <|{202.0329, 0.33260712, "Meta"} -> {{1, 399859, 416542}, {"", ""}}, 
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   {142.012, 0.3335833, "Meta"} -> {{331200, 336139, 320218}, {"", ""}}, 
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   {81.9906, 0.33332258, "Meta"} -> {{40436, 32735, 35359}, {"", ""}}, 
   {942.9842, 0.34920588, "Meta"} -> {{142377, 125467, 153071}, {"", ""}}, 
   {146.1052, 0.34577778, "Meta"} -> {{125279, 115400, 116520}, 
     {"Lysine [ C6 H14 N2 O2, db=85.61, overall=42.81, KEGG ID=C00047, CAS \
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    {{1, 33247, 31468}, {"", ""}}, {327.9996, 0.35123524, "Meta"} -> 
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    {{19203, 14717, 21110}, {"", ""}}, {507.9825, 0.35863888, "Meta"} -> 
    {{24504, 24863, 23615}, {"Inosine triphosphate [ C10 H15 N4 O14 P3, \
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   {656.0118, 0.36025003, "Meta"} -> {{29148, 27369, 34917}, {"", ""}}, 
   {738.0146, 0.3612308, "Meta"} -> {{1, 22287, 28574}, {"", ""}}, 
   {1278.0948, 0.3672727, "Meta"} -> {{12885, 15752, 15604}, {"", ""}}, 
   {436.0787, 0.36760005, "Meta"} -> {{37579, 34924, 35224}, {"", ""}}, 
   {340.0591, 0.3675589, "Meta"} -> {{39049, 40388, 38153}, {"", ""}}, 
   {600.0828, 0.36788896, "Meta"} -> {{61542, 60547, 59496}, {"", ""}}, 
   {586.0686, 0.36716667, "Meta"} -> {{24803, 25153, 26517}, {"", ""}}, 
   {504.0638, 0.3671143, "Meta"} -> {{22040, 22493, 21772}, {"", ""}}, 
   {682.0872, 0.36725715, "Meta"} -> {{24603, 24912, 24425}, {"", ""}}, 
   {518.081, 0.36761123, "Meta"} -> {{60630, 57525, 64543}, {"", ""}}, 
   {168.0872, 0.36461288, "Meta"} -> {{1, 101125, 113182}, {"", ""}}, 
   {354.0757, 0.36960006, "Meta"} -> {{114801, 102053, 108527}, 
     {"N-Desmethylketazolam [ C19 H15 Cl N2 O3, db=61.05, overall=30.52, KEGG \
ID=, CAS ID=26945-40-4 ]", "26945-40-4"}}, {764.0883, 0.36781484, "Meta"} -> 
    {{13129, 11700, 12748}, {"", ""}}, {1442.1014, 0.36745453, "Meta"} -> 
    {{1, 17348, 20275}, {"", ""}}, {1110.0033, 0.36859375, "Meta"} -> 
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   {103.9855, 0.37086117, "Meta"} -> {{1251085, 1171960, 1370092}, {"", ""}}, 
   {842.5152, 0.37236363, "Meta"} -> {{61657, 57205, 56589}, 
     {"Spiramycin 1 [ C43 H74 N2 O14, db=50.52, overall=25.26, KEGG \
ID=C01754, CAS ID=24916-50-5 ]", "24916-50-5"}}, 
   {1274.0109, 0.37162504, "Meta"} -> {{197250, 174306, 179019}, {"", ""}}, 
   {2094.0337, 0.37128574, "Meta"} -> {{89713, 82653, 80558}, {"", ""}}, 
   {2504.0469, 0.37122574, "Meta"} -> {{39354, 33117, 39695}, {"", ""}}, 
   {2176.057, 0.37145713, "Meta"} -> {{125943, 116773, 116733}, {"", ""}}, 
   {1848.0302, 0.37174284, "Meta"} -> {{316245, 294405, 307899}, {"", ""}}, 
   {678.5085, 0.37215626, "Meta"} -> {{51920, 46660, 48686}, 
     {"GPCho(14:0/14:0[U]) [ C36 H73 N O8 P, db=51.87, overall=25.93, Lipid \
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    {{1037732, 990686, 1033003}, {"", ""}}, {760.0074, 0.3722353, "Meta"} -> 
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   {2012.0356, 0.37163636, "Meta"} -> {{248911, 239604, 254013}, {"", ""}}, 
   {760.5129, 0.37200004, "Meta"} -> {{58692, 55539, 52810}, {"", ""}}, 
   {1930.0293, 0.37155885, "Meta"} -> {{125624, 116566, 121911}, {"", ""}}, 
   {1766.0236, 0.37175757, "Meta"} -> {{166025, 159564, 163125}, {"", ""}}, 
   {1438.0165, 0.37166667, "Meta"} -> {{222708, 201772, 205680}, {"", ""}}, 
   {1602.032, 0.37169698, "Meta"} -> {{219429, 207791, 210883}, {"", ""}}, 
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   {2340.0415, 0.3715, "Meta"} -> {{67744, 59062, 65302}, {"", ""}}, 
   {1617.9949, 0.37353334, "Meta"} -> {{48542, 1, 48161}, {"", ""}}, 
   {842.0098, 0.37212902, "Meta"} -> {{483473, 471571, 491744}, {"", ""}}, 
   {596.003, 0.3728823, "Meta"} -> {{1597235, 1549359, 1589110}, {"", ""}}, 
   {431.9965, 0.37666664, "Meta"} -> {{3028735, 2921310, 2972367}, {"", ""}}, 
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   {514.0034, 0.37308568, "Meta"} -> {{3181156, 3035306, 3078879}, {"", ""}}, 
   {267.9908, 0.3730278, "Meta"} -> {{6065565, 5676642, 5715829}, {"", ""}}, 
   {2110.02, 0.37291667, "Meta"} -> {{23429, 1, 23681}, {"", ""}}, 
   {1535.9908, 0.37340006, "Meta"} -> {{46198, 43059, 42919}, {"", ""}}, 
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   {1864.011, 0.3730323, "Meta"} -> {{36647, 32780, 35357}, {"", ""}}, 
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   {365.97, 0.37485716, "Meta"} -> {{138999, 138380, 134254}, {"", ""}}, 
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   {1207.9905, 0.37368754, "Meta"} -> {{21393, 20104, 21545}, {"", ""}}, 
   {447.9728, 0.37527272, "Meta"} -> {{218763, 213726, 218822}, {"", ""}}, 
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   {529.9721, 0.37509674, "Meta"} -> {{223600, 214505, 214748}, {"", ""}}, 
   {283.9663, 0.37641668, "Meta"} -> {{302554, 292151, 290379}, {"", ""}}, 
   {693.9824, 0.3773871, "Meta"} -> {{96409, 96290, 98990}, {"", ""}}, 
   {775.9853, 0.37764287, "Meta"} -> {{65131, 60689, 64636}, {"", ""}}, 
   {611.9799, 0.37734482, "Meta"} -> {{132469, 123601, 134258}, {"", ""}}, 
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   {1331.9816, 0.38222224, "Meta"} -> {{48316, 42727, 45338}, {"", ""}}, 
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   {1249.9858, 0.38258335, "Meta"} -> {{45972, 43430, 52154}, {"", ""}}, 
   {1167.9846, 0.38393104, "Meta"} -> {{35671, 37227, 35206}, {"", ""}}, 
   {571.9606, 0.3881667, "Meta"} -> {{200476, 202783, 192393}, {"", ""}}, 
   {489.9575, 0.38891178, "Meta"} -> {{286949, 279128, 286300}, {"", ""}}, 
   {407.9539, 0.38981822, "Meta"} -> {{1, 326029, 325466}, {"", ""}}, 
   {325.9501, 0.3924723, "Meta"} -> {{250264, 233381, 236927}, {"", ""}}, 
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   {259.9214, 0.39474198, "Meta"} -> {{135978, 136810, 130758}, {"", ""}}, 
   {605.8735, 0.39525005, "Meta"} -> {{1, 1, 84748}, {"", ""}}, 
   {243.9473, 0.3973611, "Meta"} -> {{1245402, 1272264, 1254201}, {"", ""}}, 
   {383.9092, 0.39772224, "Meta"} -> {{230757, 219555, 221453}, {"", ""}}, 
   {523.872, 0.3975429, "Meta"} -> {{145878, 140589, 147464}, {"", ""}}, 
   {581.8306, 0.40027776, "Meta"} -> {{137372, 123737, 128562}, {"", ""}}, 
   {639.7888, 0.40351427, "Meta"} -> {{108770, 114063, 105351}, {"", ""}}, 
   {441.8685, 0.4018334, "Meta"} -> {{220611, 212950, 207201}, {"", ""}}, 
   {697.7475, 0.40715998, "Meta"} -> {{1, 88878, 93369}, {"", ""}}, 
   {499.8273, 0.40608332, "Meta"} -> {{185982, 167617, 173050}, {"", ""}}, 
   {615.7448, 0.40847063, "Meta"} -> {{148599, 135468, 143862}, {"", ""}}, 
   {301.9058, 0.40786114, "Meta"} -> {{256608, 244286, 251693}, {"", ""}}, 
   {673.7031, 0.41129026, "Meta"} -> {{15529, 103807, 97111}, {"", ""}}, 
   {359.8649, 0.41030556, "Meta"} -> {{196983, 187734, 189094}, {"", ""}}, 
   {417.8229, 0.4105714, "Meta"} -> {{219038, 194763, 213933}, {"", ""}}, 
   {755.7073, 0.41121435, "Meta"} -> {{65451, 69803, 63395}, {"", ""}}, 
   {475.7822, 0.41099995, "Meta"} -> {{165687, 157003, 154923}, {"", ""}}, 
   {575.7568, 0.41006452, "Meta"} -> {{1, 19295, 1}, {"", ""}}, 
   {219.9025, 0.4121111, "Meta"} -> {{484404, 465920, 487402}, {"", ""}}, 
   {651.6545, 0.41184002, "Meta"} -> {{63369, 1, 1}, 
     {"Cer(d18:0/24:0) [ C42 H85 N O3, db=58.22, overall=29.11, Lipid \
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    {{99280, 91949, 102526}, {"", ""}}, {277.8617, 0.41355553, "Meta"} -> 
    {{1, 259938, 1}, {"", ""}}, {161.944, 0.4130858, "Meta"} -> 
    {{251488, 242660, 242920}, {"", ""}}, {607.0989, 0.41675, "Meta"} -> 
    {{11397, 20806, 17061}, {"", ""}}, {525.0954, 0.41841662, "Meta"} -> 
    {{27079, 45296, 40834}, {"Sertraline Carbamic acid glucuronide [ C24 H25 \
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      "119733-44-7"}}, {377.0618, 0.41700003, "Meta"} -> 
    {{17449, 21711, 21857}, {"", ""}}, {295.0595, 0.42075, "Meta"} -> 
    {{97047, 157025, 134424}, {"5-Aminoimidazole ribonucleotide [ C8 H14 N3 \
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   {361.0891, 0.4204722, "Meta"} -> {{165688, 287805, 256074}, 
     {"His Cys Cys [ C12 H19 N5 O4 S2, db=74.60, overall=37.30 ]", ""}}, 
   {443.0923, 0.42244443, "Meta"} -> {{34640, 62620, 55740}, {"", ""}}, 
   {536.1894, 0.42578793, "Meta"} -> {{1, 42654, 32394}, {"", ""}}, 
   {342.008, 0.44034287, "Meta"} -> {{53807, 50065, 65133}, {"", ""}}, 
   {279.085, 0.43405554, "Meta"} -> {{648544, 1433872, 1171945}, {"", ""}}, 
   {284.0491, 0.4420606, "Meta"} -> {{60841, 60767, 57701}, {"", ""}}, 
   {103.0999, 0.44377777, "Meta"} -> {{97934, 192157, 160495}, {"", ""}}, 
   {481.9704, 0.44212005, "Meta"} -> {{9410, 9305, 9546}, {"", ""}}, 
   {183.0875, 0.44372222, "Meta"} -> {{441559, 409364, 423981}, {"", ""}}, 
   {224.0281, 0.4447647, "Meta"} -> {{136604, 184036, 175876}, 
     {"Cys Cys [ C6 H12 N2 O3 S2, db=64.23, overall=32.11 ]", ""}}, 
   {457.0211, 0.45377782, "Meta"} -> {{1, 14770, 11717}, {"", ""}}, 
   {135.0411, 0.4499394, "Meta"} -> {{770717, 783055, 747335}, {"", ""}}, 
   {262.078, 0.45158333, "Meta"} -> {{389144, 377968, 386444}, 
     {"Asp Glu [ C9 H14 N2 O7, db=81.80, overall=40.90 ]", ""}}, 
   {202.0446, 0.45386112, "Meta"} -> {{7905445, 7677237, 7793078}, {"", ""}}, 
   {159.0275, 0.45163885, "Meta"} -> {{94805, 88812, 90858}, {"", ""}}, 
   {220.1785, 0.4556666, "Meta"} -> {{106655, 110533, 112332}, {"", ""}}, 
   {404.092, 0.45348275, "Meta"} -> {{1, 1, 37894}, {"", ""}}, 
   {315.1044, 0.4536389, "Meta"} -> {{288275, 270800, 262199}, {"", ""}}, 
   {320.036, 0.4549231, "Meta"} -> {{1, 31062, 33574}, {"", ""}}, 
   {382.1086, 0.45669445, "Meta"} -> {{3184815, 3153643, 3020754}, {"", ""}}, 
   {396.1638, 0.4501666, "Meta"} -> {{1, 10988, 10047}, 
     {"Asn Tyr Thr [ C17 H24 N4 O7, db=83.05, overall=41.53 ]", ""}}, 
   {113.059, 0.45647225, "Meta"} -> {{438135, 410024, 530836}, 
     {"Creatinine [ C4 H7 N3 O, db=69.36, overall=34.68, KEGG ID=C00791, CAS \
ID=60-27-5 ]", "60-27-5"}}, {339.0908, 0.4577187, "Meta"} -> 
    {{25534, 27091, 27103}, 
     {"Cys Ser Met [ C11 H21 N3 O5 S2, db=57.09, overall=28.54 ]", ""}}, 
   {337.0433, 0.45780003, "Meta"} -> {{77342, 166322, 136246}, 
     {"Famotidine [ C8 H15 N7 O2 S3, db=57.43, overall=28.71, KEGG ID=C06994, \
CAS ID=76824-35-6 ]", "76824-35-6"}}, {114.0292, 0.45835483, "Meta"} -> 
    {{86672, 102472, 1}, {"", ""}}, {174.1111, 0.46506065, "Meta"} -> 
    {{54224, 61625, 81137}, {"Arginine [ C6 H14 N4 O2, db=51.57, \
overall=25.79, KEGG ID=C00062, CAS ID=74-79-3 ]", "74-79-3"}}, 
   {131.0692, 0.46048486, "Meta"} -> {{689995, 703870, 663750}, 
     {"Creatine [ C4 H9 N3 O2, db=99.16, overall=49.58, KEGG ID=C00300, CAS \
ID=6020-87-7 ]", "6020-87-7"}}, {317.9624, 0.46102777, "Meta"} -> 
    {{234957, 220511, 230669}, {"", ""}}, {260.0039, 0.4610556, "Meta"} -> 
    {{628752, 591712, 616905}, {"", ""}}, {139.0609, 0.45847225, "Meta"} -> 
    {{1258261, 1275242, 1098013}, {"", ""}}, 
   {375.9207, 0.46166673, "Meta"} -> {{184068, 167279, 172058}, {"", ""}}, 
   {498.0259, 0.46341926, "Meta"} -> {{55564, 46903, 45126}, {"", ""}}, 
   {161.1053, 0.46408334, "Meta"} -> {{1802269, 1879172, 1993073}, {"", ""}}, 
   {366.1134, 0.4641667, "Meta"} -> {{56231, 53262, 55045}, {"", ""}}, 
   {440.0675, 0.46469444, "Meta"} -> {{179219, 161976, 172963}, {"", ""}}, 
   {175.0959, 0.4649032, "Meta"} -> {{32922, 29998, 41258}, 
     {"Citrulline [ C6 H13 N3 O3, db=47.39, overall=23.69, KEGG ID=C00327, \
CAS ID=372-75-8 ]", "372-75-8"}}, {115.0636, 0.4639722, "Meta"} -> 
    {{1351482, 1352699, 1332191}, {"Proline [ C5 H9 N O2, db=87.30, \
overall=43.65, KEGG ID=C00148, CAS ID=147-85-3 ]", "147-85-3"}}, 
   {256.1436, 0.4642592, "Meta"} -> {{191457, 179287, 182782}, {"", ""}}, 
   {399.0646, 0.4658, "Meta"} -> {{48069, 49836, 54066}, {"", ""}}, 
   {192.1473, 0.46303123, "Meta"} -> {{51424, 1, 48073}, {"", ""}}, 
   {341.1066, 0.46715382, "Meta"} -> {{47678, 46836, 48839}, 
     {"Tyr Cys Gly [ C14 H19 N3 O5 S, db=77.47, overall=38.73 ]", ""}}, 
   {248.1483, 0.46862853, "Meta"} -> {{107943, 105602, 100577}, {"", ""}}, 
   {159.1256, 0.47108328, "Meta"} -> {{320617, 289020, 286525}, 
     {"DL-2-Aminooctanoic acid [ C8 H17 N O2, db=86.92, overall=43.46, HMP \
ID=HMDB00991, KEGG ID= ]", ""}}, {60.0325, 0.47265622, "Meta"} -> 
    {{1, 491776, 512259}, {"Urea [ C H4 N2 O, db=87.80, overall=43.90, KEGG \
ID=C00086, CAS ID=57-13-6 ]", "57-13-6"}}, {297.1425, 0.47046667, "Meta"} -> 
    {{292579, 290365, 296688}, 
     {"Ala His Ala [ C12 H19 N5 O4, db=91.10, overall=45.55 ]", ""}}, 
   {117.0784, 0.47286117, "Meta"} -> {{6931903, 5678413, 6666512}, 
     {"5-Aminopentanoic acid [ C5 H11 N O2, db=96.95, overall=48.48, HMP \
ID=HMDB03355, KEGG ID= ]", ""}}, {222.0852, 0.47502783, "Meta"} -> 
    {{95549, 83889, 89854}, {"", ""}}, {302.184, 0.47386664, "Meta"} -> 
    {{27860, 27270, 26612}, {"", ""}}, {240.0955, 0.47499996, "Meta"} -> 
    {{90201, 80386, 81449}, {"", ""}}, {143.0945, 0.4738333, "Meta"} -> 
    {{2454694, 2690142, 2580766}, {"Triparanol [ C7 H13 N O2, db=69.83, \
overall=34.92, HMP ID=HMDB01378, KEGG ID= ]", ""}}, 
   {228.1473, 0.47896966, "Meta"} -> {{328736, 339537, 245748}, 
     {"Leu Pro [ C11 H20 N2 O3, db=61.48, overall=30.74 ]", ""}}, 
   {257.1031, 0.48044443, "Meta"} -> {{319201, 889020, 611439}, 
     {"5-Methylcytidine [ C10 H15 N3 O5, db=85.28, overall=42.64, HMP \
ID=HMDB00982, KEGG ID=, CAS ID=2140-61-6 ]", "2140-61-6"}}, 
   {71.074, 0.48255876, "Meta"} -> {{1091985, 1086266, 1117227}, {"", ""}}, 
   {157.1101, 0.4915172, "Meta"} -> {{36699, 30999, 51725}, 
     {"Tranexamic acid [ C8 H15 N O2, db=82.75, overall=41.37, KEGG \
ID=C12535, CAS ID=1197-18-8 ]", "1197-18-8"}}, 
   {144.042, 0.48648572, "Meta"} -> {{123628, 95875, 106804}, 
     {"(E)-2-Methylglutaconic acid [ C6 H8 O4, db=81.83, overall=40.91, HMP \
ID=HMDB02266, KEGG ID= ]", ""}}, {240.1471, 0.48564285, "Meta"} -> 
    {{24635, 34910, 1}, {"", ""}}, {162.0524, 0.48472, "Meta"} -> 
    {{1, 1, 132992}, {"2-Hydroxyadipic acid [ C6 H10 O5, db=74.88, \
overall=37.44, HMP ID=HMDB00321, KEGG ID= ]", ""}}, 
   {307.0891, 0.4947, "Meta"} -> {{27852, 23210, 26974}, 
     {"Succinyllipoic acid [ C12 H21 N O4 S2, db=34.62, overall=17.31, HMP \
ID=HMDB01012, KEGG ID= ]", ""}}, {247.9688, 0.49561107, "Meta"} -> 
    {{167362, 160901, 203709}, {"", ""}}, {198.0384, 0.50133336, "Meta"} -> 
    {{125526, 105420, 130199}, {"", ""}}, {168.0283, 0.50608325, "Meta"} -> 
    {{1619397, 1847893, 1899623}, {"Uric acid [ C5 H4 N4 O3, db=97.37, \
overall=48.69, KEGG ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, 
   {191.0248, 0.5051143, "Meta"} -> {{141895, 159743, 103556}, {"", ""}}, 
   {348.0916, 0.5082572, "Meta"} -> {{103835, 112260, 95980}, {"", ""}}, 
   {280.0422, 0.50655884, "Meta"} -> {{31149, 36603, 45874}, {"", ""}}, 
   {133.9952, 0.5028, "Meta"} -> {{1, 214816, 209295}, {"", ""}}, 
   {129.0423, 0.50794446, "Meta"} -> {{299051, 283923, 385281}, 
     {"Pyroglutamic acid [ C5 H7 N O3, db=86.82, overall=43.41, KEGG \
ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, {309.1056, 0.5132, "Meta"} -> 
    {{1, 29681, 38840}, {"N-Acetyl-a-neuraminic acid [ C11 H19 N O9, \
db=51.18, overall=25.59, HMP ID=HMDB00773, KEGG ID= ]", ""}}, 
   {548.0497, 0.5119356, "Meta"} -> {{40767, 43050, 48871}, {"", ""}}, 
   {112.0135, 0.51612, "Meta"} -> {{958971, 742801, 703508}, {"", ""}}, 
   {396.0151, 0.5267038, "Meta"} -> {{34506, 1, 107874}, {"", ""}}, 
   {393.0659, 0.53931427, "Meta"} -> {{89231, 107133, 68596}, 
     {"5-Hydroxythiabendazole glucuronide [ C16 H15 N3 O7 S, db=55.85, \
overall=27.93, KEGG ID=, CAS ID=6801-82-7 ]", "6801-82-7"}}, 
   {185.1047, 0.54106057, "Meta"} -> {{85797, 77883, 84575}, 
     {"Ecgonine [ C9 H15 N O3, db=82.32, overall=41.16, KEGG ID=, CAS \
ID=481-37-8 ]", "481-37-8"}}, {159.068, 0.54042304, "Meta"} -> 
    {{39336, 35652, 30025}, {"Indoleacetaldehyde [ C10 H9 N O, db=55.69, \
overall=27.85, HMP ID=HMDB01190, KEGG ID= ]", ""}}, 
   {132.0244, 0.54202855, "Meta"} -> {{115453, 121880, 126003}, {"", ""}}, 
   {149.0507, 0.54125, "Meta"} -> {{1158812, 1190871, 1217036}, 
     {"Methionine [ C5 H11 N O2 S, db=99.04, overall=49.52, KEGG ID=C00073, \
CAS ID=63-68-3 ]", "63-68-3"}}, {279.1315, 0.54772216, "Meta"} -> 
    {{198469, 156667, 154080}, {"", ""}}, {164.047, 0.5517223, "Meta"} -> 
    {{247876, 255553, 247286}, {"p-Coumaric acid [ C9 H8 O3, db=86.35, \
overall=43.17, KEGG ID=, CAS ID=7400-08-0 ]", "7400-08-0"}}, 
   {181.0737, 0.5518889, "Meta"} -> {{2936791, 2268031, 2967673}, 
     {"Tyrosine [ C9 H11 N O3, db=99.43, overall=49.71, KEGG ID=C00082, CAS \
ID=60-18-4 ]", "60-18-4"}}, {122.0354, 0.55100006, "Meta"} -> 
    {{200884, 271281, 51833}, {"", ""}}, {321.1047, 0.5580909, "Meta"} -> 
    {{140231, 88193, 108757}, {"", ""}}, {311.1578, 0.55884373, "Meta"} -> 
    {{439222, 406221, 406279}, 
     {"Gly Val His [ C13 H21 N5 O4, db=80.96, overall=40.48 ]", ""}}, 
   {131.0946, 0.5592222, "Meta"} -> {{2.97*^7, 3.15*^7, 3.12*^7}, 
     {"Leucine [ C6 H13 N O2, db=99.82, overall=49.91, KEGG ID=C00123, CAS \
ID=61-90-5 ]", "61-90-5"}}, {85.0889, 0.5585, "Meta"} -> 
    {{3945902, 4157651, 4072752}, {"", ""}}, 
   {175.0582, 0.55870366, "Meta"} -> {{214435, 203000, 207854}, 
     {"Guanidinosuccinic Acid [ C5 H9 N3 O4, db=74.59, overall=37.29, KEGG \
ID=C03139, CAS ID=6133-30-8 ]", "6133-30-8"}}, 
   {230.0767, 0.58708334, "Meta"} -> {{42382, 46306, 49381}, {"", ""}}, 
   {124.0136, 0.573853, "Meta"} -> {{182404, 203523, 199782}, {"", ""}}, 
   {262.1892, 0.5915186, "Meta"} -> {{172206, 192534, 1}, {"", ""}}, 
   {315.1291, 0.6577931, "Meta"} -> {{49018, 34741, 38639}, {"", ""}}, 
   {181.0738, 0.63259375, "Meta"} -> {{1485345, 1600774, 1625110}, 
     {"Tyrosine [ C9 H11 N O3, db=99.69, overall=49.85, KEGG ID=C00082, CAS \
ID=60-18-4 ]", "60-18-4"}}, {321.1046, 0.64432, "Meta"} -> 
    {{41085, 80679, 71085}, {"", ""}}, {262.1526, 0.64625, "Meta"} -> 
    {{22300, 24703, 27953}, {"", ""}}, {85.0891, 0.65061104, "Meta"} -> 
    {{4257729, 4178007, 4196520}, {"", ""}}, 
   {131.0943, 0.65075004, "Meta"} -> {{3.29*^7, 3.23*^7, 3.31*^7}, 
     {"Leucine [ C6 H13 N O2, db=98.20, overall=49.10, KEGG ID=C00123, CAS \
ID=61-90-5 ]", "61-90-5"}}, {184.0232, 0.6469033, "Meta"} -> 
    {{433349, 1, 505551}, {"", ""}}, {396.0152, 0.65655553, "Meta"} -> 
    {{60630, 59802, 68077}, {"", ""}}, {198.0385, 0.6591563, "Meta"} -> 
    {{85155, 82917, 67542}, {"", ""}}, {366.1426, 0.73793095, "Meta"} -> 
    {{96700, 33107, 25892}, {"", ""}}, {564.0432, 0.6553846, "Meta"} -> 
    {{22301, 22302, 25018}, {"", ""}}, {168.0284, 0.66358334, "Meta"} -> 
    {{3263038, 3528154, 2986264}, {"Uric acid [ C5 H4 N4 O3, db=99.35, \
overall=49.68, KEGG ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, 
   {352.0513, 0.6635001, "Meta"} -> {{104971, 142088, 124752}, {"", ""}}, 
   {191.0249, 0.6656572, "Meta"} -> {{354339, 581913, 377183}, {"", ""}}, 
   {176.0948, 0.66323525, "Meta"} -> {{40437, 61021, 60979}, 
     {"Serotonin [ C10 H12 N2 O, db=81.86, overall=40.93, KEGG ID=C00780, CAS \
ID=50-67-9 ]", "50-67-9"}}, {343.1261, 0.6673332, "Meta"} -> 
    {{51297, 35329, 36562}, {"b-D-Glucopyranosiduronic acid [ C15 H21 N O8, \
db=84.47, overall=42.23, KEGG ID=, CAS ID=33150-82-2 ]", "33150-82-2"}}, 
   {159.0679, 0.6692903, "Meta"} -> {{1, 57886, 52697}, 
     {"Indoleacetaldehyde [ C10 H9 N O, db=58.61, overall=29.30, HMP \
ID=HMDB01190, KEGG ID= ]", ""}}, {542.0351, 0.6685769, "Meta"} -> 
    {{25713, 1, 25889}, {"cefonicid [ C18 H18 N6 O8 S3, db=52.28, \
overall=26.14, KEGG ID=, CAS ID= ]", ""}}, {267.1331, 0.6696945, "Meta"} -> 
    {{84207, 96610, 99431}, {"", ""}}, {346.076, 0.6595, "Meta"} -> 
    {{29700, 28177, 29432}, {"", ""}}, {366.0667, 0.6683939, "Meta"} -> 
    {{39149, 49016, 32122}, {"", ""}}, {348.0913, 0.6686563, "Meta"} -> 
    {{63541, 62535, 64711}, {"", ""}}, {478.0537, 0.6733429, "Meta"} -> 
    {{34561, 42397, 38316}, {"", ""}}, {129.0423, 0.67652774, "Meta"} -> 
    {{537487, 387219, 402880}, {"Pyroglutamic acid [ C5 H7 N O3, db=60.99, \
overall=30.50, KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {297.0706, 0.67399997, "Meta"} -> {{17967, 19930, 19803}, {"", ""}}, 
   {414.0701, 0.68071425, "Meta"} -> {{19306, 24385, 23254}, {"", ""}}, 
   {104.0473, 0.7109601, "Meta"} -> {{1889415, 1896257, 1}, 
     {"a-hydroxybutyrate [ C4 H8 O3, db=87.83, overall=43.92, KEGG ID=, CAS \
ID= ]", ""}}, {293.1474, 0.70211107, "Meta"} -> {{1197137, 932249, 888679}, 
     {"", ""}}, {124.0136, 0.698871, "Meta"} -> {{224825, 1, 244537}, 
     {"", ""}}, {244.0693, 0.69808567, "Meta"} -> {{79999, 77689, 85632}, 
     {"Uridine [ C9 H12 N2 O6, db=80.06, overall=40.03, KEGG ID=C00299, CAS \
ID=58-96-8 ]", "58-96-8"}}, {228.1472, 0.70621204, "Meta"} -> 
    {{272252, 252857, 276308}, 
     {"Leu Pro [ C11 H20 N2 O3, db=86.33, overall=43.17 ]", ""}}, 
   {246.1213, 0.72223526, "Meta"} -> {{86389, 1, 82283}, 
     {"Ile Asp [ C10 H18 N2 O5, db=79.46, overall=39.73 ]", ""}}, 
   {126.0292, 0.7198077, "Meta"} -> {{1, 1, 1890923}, {"", ""}}, 
   {347.9839, 0.72131026, "Meta"} -> {{1, 1, 58536}, {"", ""}}, 
   {252.1109, 0.7333571, "Meta"} -> {{147586, 251411, 155235}, 
     {"Tyr Ala [ C12 H16 N2 O4, db=96.68, overall=48.34 ]", ""}}, 
   {338.0838, 0.75042427, "Meta"} -> {{110464, 117270, 120422}, {"", ""}}, 
   {148.0112, 0.75524235, "Meta"} -> {{175795, 179121, 171651}, {"", ""}}, 
   {136.0384, 0.7559166, "Meta"} -> {{2175232, 2272349, 2305386}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=95.18, overall=47.59, KEGG ID=C00262, \
CAS ID=68-94-0 ]", "68-94-0"}}, {277.0016, 0.76956004, "Meta"} -> 
    {{136549, 118764, 1}, {"", ""}}, {161.0507, 0.7749999, "Meta"} -> 
    {{319375, 627330, 784478}, {"", ""}}, {301.1176, 0.832861, "Meta"} -> 
    {{46302, 70352, 45374}, {"", ""}}, {263.0468, 0.8569698, "Meta"} -> 
    {{32239, 1, 52580}, {"Normetanephrine sulfate [ C9 H13 N O6 S, db=62.13, \
overall=31.07, KEGG ID=, CAS ID=1215-29-8 ]", "1215-29-8"}}, 
   {427.2543, 0.88016677, "Meta"} -> {{1, 18909, 95676}, {"", ""}}, 
   {533.1839, 0.8766785, "Meta"} -> {{30852, 34174, 47647}, {"", ""}}, 
   {208.0844, 0.8729697, "Meta"} -> {{1, 975133, 972537}, 
     {"Kynurenine [ C10 H12 N2 O3, db=98.79, overall=49.40, KEGG ID=C00328, \
CAS ID=343-65-7 ]", "343-65-7"}}, {310.1159, 0.87493944, "Meta"} -> 
    {{50787, 53696, 46708}, 
     {"Tyr Glu [ C14 H18 N2 O6, db=80.16, overall=40.08 ]", ""}}, 
   {130.0417, 0.889875, "Meta"} -> {{340245, 335537, 371642}, {"", ""}}, 
   {119.0736, 0.8910293, "Meta"} -> {{7298669, 7678580, 7917537}, {"", ""}}, 
   {165.0784, 0.88927776, "Meta"} -> {{4.06*^7, 4.25*^7, 4.28*^7}, 
     {"2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, db=96.07, \
overall=48.03, KEGG ID=, CAS ID=18259-42-2 ]", "18259-42-2"}}, 
   {102.047, 0.8869601, "Meta"} -> {{68282, 1, 35331}, {"", ""}}, 
   {268.0808, 0.88524127, "Meta"} -> {{278513, 581509, 325059}, 
     {"Inosine [ C10 H12 N4 O5, db=85.71, overall=42.86, KEGG ID=C00294, CAS \
ID=58-63-9 ]", "58-63-9"}}, {518.1942, 0.9226364, "Meta"} -> 
    {{31769, 21912, 24315}, {"Gossypol [ C30 H30 O8, db=74.85, overall=37.42, \
Lipid ID=LMPR01030019, KEGG ID=C07667 ]", ""}}, 
   {359.1316, 0.92291445, "Meta"} -> {{47287, 41618, 37955}, 
     {"Asp Glu Pro [ C14 H21 N3 O8, db=49.24, overall=24.62 ]", ""}}, 
   {358.1738, 0.921639, "Meta"} -> {{70147, 51517, 50815}, {"", ""}}, 
   {315.1679, 0.92541665, "Meta"} -> {{4550040, 3394672, 3367113}, {"", ""}}, 
   {246.1213, 0.9403793, "Meta"} -> {{67123, 69875, 68134}, 
     {"Ile Asp [ C10 H18 N2 O5, db=75.39, overall=37.69 ]", ""}}, 
   {348.1567, 0.99688005, "Meta"} -> {{91304, 1, 140040}, 
     {"Ala Arg Cys [ C12 H24 N6 O4 S, db=90.69, overall=45.35 ]", ""}}, 
   {150.0887, 1.0149167, "Meta"} -> {{9767025, 6990273, 2.34*^7}, {"", ""}}, 
   {380.1186, 1.0151613, "Meta"} -> {{1, 111222, 120945}, 
     {"Cys Gln Met [ C13 H24 N4 O5 S2, db=70.63, overall=35.32 ]", ""}}, 
   {88.0527, 1.0138214, "Meta"} -> {{1011478, 793293, 768514}, 
     {"Acetoin [ C4 H8 O2, db=98.92, overall=49.46, KEGG ID=C00810, CAS \
ID=513-86-0 ]", "513-86-0"}}, {132.0785, 1.0133704, "Meta"} -> 
    {{387877, 237930, 287165}, {"2-Hydroxy-4-methylvaleric acid [ C6 H12 O3, \
db=96.66, overall=48.33, KEGG ID=, CAS ID=13748-90-8 ]", "13748-90-8"}}, 
   {248.0572, 1.018941, "Meta"} -> {{1060846, 852653, 825524}, 
     {"Pyridoxamine Phosphate [ C8 H13 N2 O5 P, db=92.97, overall=46.48, KEGG \
ID=C00647, CAS ID=529-96-4 ]", "529-96-4"}}, {264.0292, 1.0199355, "Meta"} -> 
    {{335569, 1, 181148}, {"(3-Methoxy-4-hydroxyphenyl)ethylene glycol \
sulfate [ C9 H12 O7 S, db=58.12, overall=29.06, KEGG ID=, CAS ID=3415-67-6 ]"\
, "3415-67-6"}}, {239.9853, 1.04124, "Meta"} -> {{37502, 52679, 49109}, 
     {"", ""}}, {210.1212, 1.0249231, "Meta"} -> {{367176, 284459, 278393}, 
     {"", ""}}, {338.1254, 1.0379394, "Meta"} -> {{654527, 426282, 369246}, 
     {"", ""}}, {353.0898, 1.0451715, "Meta"} -> {{236934, 162076, 146715}, 
     {"Acenocoumarol [ C19 H15 N O6, db=85.70, overall=42.85, KEGG ID=, CAS \
ID=152-72-7 ]", "152-72-7"}}, {327.1318, 1.0948066, "Meta"} -> 
    {{231729, 218908, 119280}, {"", ""}}, {231.1472, 1.1548711, "Meta"} -> 
    {{1, 172650, 195544}, {"Isobutyryl carnitine [ C11 H21 N O4, db=82.39, \
overall=41.19, KEGG ID=, CAS ID=25518-49-4 ]", "25518-49-4"}}, 
   {354.1791, 1.2549354, "Meta"} -> {{645508, 479616, 458207}, {"", ""}}, 
   {291.0178, 1.2728126, "Meta"} -> {{59288, 38177, 31380}, {"", ""}}, 
   {276.0544, 1.2674193, "Meta"} -> {{21873, 46175, 57640}, {"", ""}}, 
   {216.0308, 1.2762144, "Meta"} -> {{1, 79511, 62897}, {"", ""}}, 
   {117.0578, 1.2811853, "Meta"} -> {{273706, 1, 286289}, 
     {"Indole [ C8 H7 N, db=70.72, overall=35.36, KEGG ID=C00463, CAS \
ID=120-72-9 ]", "120-72-9"}}, {204.0894, 1.2753054, "Meta"} -> 
    {{7.37*^7, 7.12*^7, 7.28*^7}, {"Tryptophan [ C11 H12 N2 O2, db=95.92, \
overall=47.96, KEGG ID=C00078, CAS ID=73-22-3 ]", "73-22-3"}}, 
   {187.0628, 1.2740554, "Meta"} -> {{1.76*^7, 1.78*^7, 1.77*^7}, 
     {"Indoleacrylic acid [ C11 H9 N O2, db=97.72, overall=48.86, HMP \
ID=HMDB00734, KEGG ID=, CAS ID=1204-06-4 ]", "1204-06-4"}}, 
   {650.2158, 1.2843436, "Meta"} -> {{41622, 89493, 114637}, {"", ""}}, 
   {302.0588, 1.2867241, "Meta"} -> {{155645, 1, 140275}, {"", ""}}, 
   {276.0543, 1.4092578, "Meta"} -> {{67491, 66018, 66547}, {"", ""}}, 
   {291.0175, 1.4124061, "Meta"} -> {{69301, 1, 57629}, {"", ""}}, 
   {230.1631, 1.4211999, "Meta"} -> {{1, 199362, 359990}, 
     {"Leu Val [ C11 H22 N2 O3, db=83.67, overall=41.83 ]", ""}}, 
   {280.1058, 1.5567034, "Meta"} -> {{1, 1, 1}, 
     {"Phe Asp [ C13 H16 N2 O5, db=70.05, overall=35.02 ]", ""}}, 
   {366.1426, 1.5676208, "Meta"} -> {{366277, 279031, 1}, {"", ""}}, 
   {157.11, 1.5776898, "Meta"} -> {{59050, 54813, 58606}, 
     {"Tranexamic acid [ C8 H15 N O2, db=74.57, overall=37.29, KEGG \
ID=C12535, CAS ID=1197-18-8 ]", "1197-18-8"}}, 
   {219.1104, 1.6220001, "Meta"} -> {{1, 37032, 45291}, 
     {"Pantothenic Acid [ C9 H17 N O5, db=55.18, overall=27.59, KEGG ID=, CAS \
ID=137-08-6 ]", "137-08-6"}}, {260.1369, 1.7801199, "Meta"} -> 
    {{257264, 146860, 230509}, 
     {"Glu Leu [ C11 H20 N2 O5, db=77.86, overall=38.93 ]", ""}}, 
   {208.0161, 1.9748787, "Meta"} -> {{232703, 80651, 282064}, {"", ""}}, 
   {260.1368, 1.9889677, "Meta"} -> {{229846, 223358, 1}, 
     {"Glu Leu [ C11 H20 N2 O5, db=90.71, overall=45.35 ]", ""}}, 
   {131.0368, 2.0663033, "Meta"} -> {{344791, 483787, 443820}, {"", ""}}, 
   {613.3187, 2.414278, "Meta"} -> {{136875, 166802, 183049}, {"", ""}}, 
   {294.1216, 2.470125, "Meta"} -> {{62613, 59838, 63389}, 
     {"Aspartame [ C14 H18 N2 O5, db=72.39, overall=36.19, HMP ID=HMDB01894, \
KEGG ID= ]", ""}}, {245.1627, 2.565185, "Meta"} -> 
    {{590852, 494684, 596170}, {"2-Methylbutyroylcarnitine [ C12 H23 N O4, \
db=86.34, overall=43.17, HMP ID=HMDB00378, KEGG ID= ]", ""}}, 
   {246.1366, 2.6443236, "Meta"} -> {{374399, 359379, 1}, {"", ""}}, 
   {159.1255, 2.8531144, "Meta"} -> {{150748, 150475, 133543}, 
     {"DL-2-Aminooctanoic acid [ C8 H17 N O2, db=83.22, overall=41.61, HMP \
ID=HMDB00991, KEGG ID= ]", ""}}, {294.2798, 2.8666072, "Meta"} -> 
    {{209900, 1, 170085}, {"", ""}}, {129.1512, 2.8755276, "Meta"} -> 
    {{1.46*^7, 5373722, 1.3*^7}, {"", ""}}, {179.0578, 2.9460568, "Meta"} -> 
    {{2927030, 2923177, 2927368}, {"5,8-Dihydroxy-3,4-dihydrocarbostyril [ C9 \
H9 N O3, db=94.87, overall=47.43, KEGG ID=, CAS ID=59430-56-7 ]", 
      "59430-56-7"}}, {457.2172, 3.21976, "Meta"} -> 
    {{1, 1, 1}, {"Leu Tyr Tyr [ C24 H31 N3 O6, db=60.12, overall=30.06 ]", 
      ""}}, {113.0839, 3.4427686, "Meta"} -> {{71220, 63509, 1}, {"", ""}}, 
   {457.2171, 3.449129, "Meta"} -> {{1, 24853, 27564}, 
     {"Leu Tyr Tyr [ C24 H31 N3 O6, db=66.31, overall=33.16 ]", ""}}, 
   {353.0194, 3.4831946, "Meta"} -> {{71678, 67560, 60928}, 
     {"H 152/66 [ C16 H13 Cl2 N O4, db=34.19, overall=17.09, KEGG ID=, CAS \
ID=91854-02-3 ]", "91854-02-3"}}, {180.0646, 3.4828331, "Meta"} -> 
    {{1235949, 1258414, 1271126}, {"Paraxanthine [ C7 H8 N4 O2, db=97.04, \
overall=48.52, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {338.0584, 3.4828844, "Meta"} -> {{42475, 1, 45019}, {"", ""}}, 
   {184.1207, 3.5528529, "Meta"} -> {{322521, 378899, 362121}, {"", ""}}, 
   {286.0929, 3.6669033, "Meta"} -> {{325825, 331000, 329323}, 
     {"5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin [ C15 H14 \
N2 O4, db=80.32, overall=40.16, KEGG ID=, CAS ID=28129-90-0 ]", 
      "28129-90-0"}}, {262.1315, 3.6955454, "Meta"} -> 
    {{92292, 80826, 78836}, 
     {"Pro Phe [ C14 H18 N2 O3, db=79.05, overall=39.52 ]", ""}}, 
   {484.3516, 3.714577, "Meta"} -> {{23912, 1, 66161}, 
     {"(22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimethyl-23,24-tetradehydro-\
20-epivitamin D3 / (22S)-1alph [ C31 H48 O4, db=68.14, overall=34.07, Lipid \
ID=LMST03020487, KEGG ID= ]", ""}}, {264.1109, 3.7114289, "Meta"} -> 
    {{1044922, 1135590, 1200969}, {"", ""}}, {300.9474, 3.7771254, "Meta"} -> 
    {{52468, 49121, 38266}, {"", ""}}, {285.9843, 3.784971, "Meta"} -> 
    {{155264, 133018, 1}, {"", ""}}, {406.0258, 3.779679, "Meta"} -> 
    {{76400, 1, 71237}, {"", ""}}, {346.0054, 3.7820883, "Meta"} -> 
    {{286159, 251849, 252840}, {"", ""}}, {390.0608, 3.9207745, "Meta"} -> 
    {{53183, 66570, 23518}, {"", ""}}, {194.1056, 3.9298828, "Meta"} -> 
    {{89399, 99066, 93474}, {"3-Hydroxy-N-glycyl-2,6-xylidine \
(3-Hydroxyglycinexylidide) [ C10 H14 N2 O2, db=79.20, overall=39.60, KEGG \
ID=, CAS ID=112606-87-8 ]", "112606-87-8"}}, {123.0431, 3.9404666, "Meta"} -> 
    {{89236, 83219, 1}, {"Pyrazinamide [ C5 H5 N3 O, db=73.22, overall=36.61, \
KEGG ID=C01956, CAS ID=98-96-4 ]", "98-96-4"}}, 
   {180.0647, 3.9408891, "Meta"} -> {{4197758, 3959572, 4206528}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=98.66, overall=49.33, KEGG ID=, CAS \
ID=611-59-6 ]", "611-59-6"}}, {353.02, 3.9439723, "Meta"} -> 
    {{68408, 58355, 53754}, {"H 152/66 [ C16 H13 Cl2 N O4, db=40.19, \
overall=20.09, KEGG ID=, CAS ID=91854-02-3 ]", "91854-02-3"}}, 
   {338.06, 3.9440384, "Meta"} -> {{34742, 22850, 39808}, 
     {"1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide (AICAR) [ C9 H15 \
N4 O8 P, db=56.82, overall=28.41, KEGG ID=C04677, CAS ID=3031-94-5 ]", 
      "3031-94-5"}}, {282.0003, 4.0873055, "Meta"} -> 
    {{387217, 386754, 376176}, {"", ""}}, {244.1785, 4.1058927, "Meta"} -> 
    {{1, 1, 1}, {"Leu Leu [ C12 H24 N2 O3, db=80.30, overall=40.15 ]", ""}}, 
   {315.2042, 4.138722, "Meta"} -> {{127612, 199758, 224729}, {"", ""}}, 
   {180.0646, 4.184583, "Meta"} -> {{778024, 800034, 754122}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=96.10, overall=48.05, KEGG ID=, CAS \
ID=611-59-6 ]", "611-59-6"}}, {196.1205, 4.4604373, "Meta"} -> 
    {{44536, 42385, 44565}, {"", ""}}, {259.1781, 4.5265555, "Meta"} -> 
    {{64647, 39150, 48615}, {"L-Glutamic acid dibutyl ester [ C13 H25 N O4, \
db=69.80, overall=34.90, KEGG ID=, CAS ID=4261-76-1 ]", "4261-76-1"}}, 
   {278.1625, 4.5463552, "Meta"} -> {{40307, 37759, 38105}, 
     {"Phe Leu [ C15 H22 N2 O3, db=77.05, overall=38.53 ]", ""}}, 
   {196.1206, 4.620389, "Meta"} -> {{85076, 77513, 78631}, {"", ""}}, 
   {145.0523, 4.6313715, "Meta"} -> {{163205, 181084, 188732}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=73.77, overall=36.88, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {221.0685, 4.632059, "Meta"} -> 
    {{50947, 52496, 59210}, {"5-Carboxymethoxy-3,4-dihydrocarbostyril [ C11 \
H11 N O4, db=64.45, overall=32.22, KEGG ID=, CAS ID=58898-50-3 ]", 
      "58898-50-3"}}, {399.1795, 4.9157567, "Meta"} -> 
    {{55415, 62079, 54824}, 
     {"Tyr Ala Phe [ C21 H25 N3 O5, db=71.49, overall=35.75 ]", ""}}, 
   {185.1049, 4.9669666, "Meta"} -> {{81555, 118417, 110873}, 
     {"Ecgonine [ C9 H15 N O3, db=77.31, overall=38.66, KEGG ID=, CAS \
ID=481-37-8 ]", "481-37-8"}}, {649.3074, 5.013072, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {278.163, 5.0759177, "Meta"} -> 
    {{91811, 94519, 89318}, 
     {"Phe Leu [ C15 H22 N2 O3, db=99.27, overall=49.64 ]", ""}}, 
   {535.2641, 5.1008615, "Meta"} -> {{17246, 19822, 18795}, {"", ""}}, 
   {904.4772, 5.3270283, "Meta"} -> {{509451, 481407, 505279}, {"", ""}}, 
   {145.0523, 5.4314723, "Meta"} -> {{168274, 196809, 200779}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=84.42, overall=42.21, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {129.0576, 5.434444, "Meta"} -> 
    {{381069, 423640, 443483}, {"", ""}}, {273.0317, 5.4347143, "Meta"} -> 
    {{35245, 28091, 20730}, {"", ""}}, {175.0629, 5.4345837, "Meta"} -> 
    {{422622, 316799, 272844}, {"3-Indoleacetic Acid [ C10 H9 N O2, db=84.76, \
overall=42.38, KEGG ID=C00954, CAS ID=87-51-4 ]", "87-51-4"}}, 
   {163.063, 5.4345, "Meta"} -> {{1, 34361, 40603}, 
     {"p-Acetaminobenzaldehyde [ C9 H9 N O2, db=64.35, overall=32.17, KEGG \
ID=, CAS ID=122-85-0 ]", "122-85-0"}}, {317.1736, 5.4687505, "Meta"} -> 
    {{41978, 36282, 37275}, 
     {"Leu Trp [ C17 H23 N3 O3, db=81.63, overall=40.81 ]", ""}}, 
   {780.393, 5.47776, "Meta"} -> {{160835, 174081, 168104}, 
     {"25-O-Desacetylrifampin [ C41 H56 N4 O11, db=84.35, overall=42.18, KEGG \
ID=, CAS ID=16783-99-6 ]", "16783-99-6"}}, {506.2009, 5.4841557, "Meta"} -> 
    {{1, 1, 28101}, {"", ""}}, {351.1581, 5.5261106, "Meta"} -> 
    {{411510, 403748, 370022}, 
     {"Trp Phe [ C20 H21 N3 O3, db=99.58, overall=49.79 ]", ""}}, 
   {462.2364, 5.543243, "Meta"} -> {{21204, 1, 1}, {"", ""}}, 
   {119.0735, 5.541345, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {312.1467, 5.5432773, "Meta"} -> {{4105236, 4278401, 4241163}, 
     {"Phe Phe [ C18 H20 N2 O3, db=95.14, overall=47.57 ]", ""}}, 
   {112.0524, 5.5669603, "Meta"} -> {{43395, 29742, 37164}, 
     {"3,5-hexadienoic acid [ C6 H8 O2, db=60.24, overall=30.12, Lipid ID=, \
KEGG ID= ]", ""}}, {415.2207, 5.670666, "Meta"} -> 
    {{13041, 1, 20359}, 
     {"Phe Leu His [ C21 H29 N5 O4, db=66.52, overall=33.26 ]", ""}}, 
   {145.0523, 5.7114286, "Meta"} -> {{34013, 1, 46746}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=58.30, overall=29.15, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {470.2164, 5.740111, "Meta"} -> 
    {{135785, 140514, 136307}, {"", ""}}, {486.1287, 5.7655144, "Meta"} -> 
    {{49321, 50520, 50299}, {"", ""}}, {814.2692, 5.7653933, "Meta"} -> 
    {{42765, 42928, 47780}, {"", ""}}, {352.0723, 5.766555, "Meta"} -> 
    {{190774, 204071, 196006}, {"Griseofulvin [ C17 H17 Cl O6, db=62.45, \
overall=31.22, KEGG ID=C06686, CAS ID=126-07-8 ]", "126-07-8"}}, 
   {561.114, 5.765363, "Meta"} -> {{42328, 37343, 34642}, {"", ""}}, 
   {367.0347, 5.766611, "Meta"} -> {{224320, 187866, 170335}, 
     {"H 167/87 [ C17 H15 Cl2 N O4, db=30.19, overall=15.10, KEGG ID=, CAS \
ID=91854-01-2 ]", "91854-01-2"}}, {137.0587, 5.7666464, "Meta"} -> 
    {{178743, 179255, 190186}, {"Isoniazid [ C6 H7 N3 O, db=85.82, \
overall=42.91, KEGG ID=C07054, CAS ID=54-85-3 ]", "54-85-3"}}, 
   {680.2204, 5.7653627, "Meta"} -> {{45546, 54949, 54248}, {"", ""}}, 
   {194.0796, 5.7665, "Meta"} -> {{1.63*^7, 1.54*^7, 1.52*^7}, 
     {"D-Glucoside [ C7 H14 O6, db=97.63, overall=48.82, HMP ID=HMDB03570, \
KEGG ID= ]", ""}}, {292.0482, 5.7668047, "Meta"} -> 
    {{83842, 77954, 83593}, {"", ""}}, {427.0664, 5.7660594, "Meta"} -> 
    {{38763, 36993, 31580}, {"", ""}}, {308.021, 5.7663703, "Meta"} -> 
    {{37787, 34316, 26700}, {"", ""}}, {336.0987, 5.766, "Meta"} -> 
    {{29311, 27405, 33546}, {"", ""}}, {339.0394, 5.7657404, "Meta"} -> 
    {{28690, 20545, 22041}, {"", ""}}, {276.0943, 5.767443, "Meta"} -> 
    {{195730, 210132, 207918}, 
     {"Glu Glu [ C10 H16 N2 O7, db=91.86, overall=45.93 ]", ""}}, 
   {546.167, 5.766311, "Meta"} -> {{45603, 57392, 55422}, {"", ""}}, 
   {82.0146, 5.7676473, "Meta"} -> {{316132, 380670, 380355}, {"", ""}}, 
   {450.2112, 6.0146294, "Meta"} -> {{16480, 16685, 18209}, {"", ""}}, 
   {598.3831, 6.149971, "Meta"} -> {{76536, 68000, 87283}, {"", ""}}, 
   {210.1363, 6.1674, "Meta"} -> {{271141, 305712, 243923}, {"", ""}}, 
   {1076.5251, 6.1918607, "Meta"} -> {{474053, 488248, 482383}, {"", ""}}, 
   {285.1937, 6.2077217, "Meta"} -> {{536667, 304683, 347756}, {"", ""}}, 
   {413.1947, 6.402389, "Meta"} -> {{318958, 320636, 332467}, 
     {"Phe Phe Thr [ C22 H27 N3 O5, db=96.85, overall=48.42 ]", ""}}, 
   {210.1363, 6.4091425, "Meta"} -> {{124729, 121739, 132421}, {"", ""}}, 
   {171.1256, 6.4184237, "Meta"} -> {{1, 542593, 337512}, 
     {"Gabapentin [ C9 H17 N O2, db=89.41, overall=44.71, KEGG ID=C07018, CAS \
ID=60142-96-3 ]", "60142-96-3"}}, {225.134, 6.4274607, "Meta"} -> 
    {{1, 200252, 196559}, {"", ""}}, {464.2267, 6.4558063, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {636.2752, 6.4700866, "Meta"} -> 
    {{31528, 33121, 36223}, 
     {" [ C34 H40 N2 O10, db=0.00, overall=30.97, mfg=61.94 ]", ""}}, 
   {401.8564, 6.4737997, "Meta"} -> {{83094, 1, 49936}, {"", ""}}, 
   {1205.5684, 6.4744167, "Meta"} -> {{988130, 693438, 687008}, {"", ""}}, 
   {650.291, 6.4855704, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1072.4163, 6.52011, "Meta"} -> {{32420, 30359, 26639}, {"", ""}}, 
   {1019.5046, 6.519862, "Meta"} -> {{1474604, 1374748, 1424547}, {"", ""}}, 
   {339.8352, 6.519917, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {370.2202, 6.5523853, "Meta"} -> {{15701, 21703, 13988}, {"", ""}}, 
   {393.1896, 6.6016774, "Meta"} -> {{15706, 1, 12673}, 
     {"Phe Leu Asp [ C19 H27 N3 O6, db=93.55, overall=46.78 ]", ""}}, 
   {1262.5898, 6.6459446, "Meta"} -> {{908029, 921323, 992649}, {"", ""}}, 
   {748.3746, 6.6664577, "Meta"} -> {{1, 51054, 55870}, {"", ""}}, 
   {467.5117, 6.6833715, "Meta"} -> {{70458, 61757, 45912}, {"", ""}}, 
   {449.8743, 6.681861, "Meta"} -> {{247525, 240186, 234377}, {"", ""}}, 
   {1349.622, 6.682221, "Meta"} -> {{1872854, 1945362, 1781686}, {"", ""}}, 
   {462.5233, 6.6829696, "Meta"} -> {{116242, 114435, 105279}, {"", ""}}, 
   {467.8464, 6.68125, "Meta"} -> {{57381, 44954, 32766}, {"", ""}}, 
   {457.2013, 6.682588, "Meta"} -> {{48088, 43363, 39667}, {"", ""}}, 
   {1076.5258, 6.7304854, "Meta"} -> {{14848, 16988, 14611}, {"", ""}}, 
   {298.1418, 6.74896, "Meta"} -> {{94330, 66910, 1}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=73.54, overall=36.77, \
KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {1200.5566, 6.7732415, "Meta"} -> {{530375, 528099, 540941}, {"", ""}}, 
   {741.297, 6.7771387, "Meta"} -> {{31125, 31794, 41857}, {"", ""}}, 
   {189.0785, 6.956638, "Meta"} -> {{173088, 145846, 123530}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=94.09, overall=47.05, HMP \
ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {429.2361, 6.977999, "Meta"} -> {{62500, 48111, 79660}, 
     {"Pro Trp Lys [ C22 H31 N5 O4, db=90.19, overall=45.09 ]", ""}}, 
   {260.0935, 7.0326056, "Meta"} -> {{1, 1, 932156}, 
     {"Furafylline [ C12 H12 N4 O3, db=57.24, overall=28.62, KEGG ID=, CAS \
ID=80288-49-9 ]", "80288-49-9"}}, {179.1517, 7.0339313, "Meta"} -> 
    {{1, 1, 572455}, {"", ""}}, {162.1254, 7.032972, "Meta"} -> 
    {{396866, 333697, 2.*^7}, {"", ""}}, {386.884, 7.089772, "Meta"} -> 
    {{184144, 41640, 101424}, {"", ""}}, {339.9438, 7.090166, "Meta"} -> 
    {{194652, 85393, 93029}, {"", ""}}, {165.9783, 7.0914993, "Meta"} -> 
    {{278151, 1, 172497}, {"", ""}}, {324.978, 7.0900297, "Meta"} -> 
    {{67842, 19209, 53114}, {"", ""}}, {389.8912, 7.089734, "Meta"} -> 
    {{100130, 1, 33821}, {"", ""}}, {554.8763, 7.0902586, "Meta"} -> 
    {{780094, 154460, 1}, {"", ""}}, {590.8546, 7.090121, "Meta"} -> 
    {{300075, 1, 144433}, {"", ""}}, {166.9861, 7.0904727, "Meta"} -> 
    {{7459357, 2719488, 5940064}, {"", ""}}, {280.9265, 7.090501, "Meta"} -> 
    {{195320, 78945, 106914}, {"", ""}}, {264.9547, 7.0911846, "Meta"} -> 
    {{54826, 1, 30929}, {"", ""}}, {395.8936, 7.0915, "Meta"} -> 
    {{101279, 44131, 71530}, {"", ""}}, {431.8628, 7.0915837, "Meta"} -> 
    {{61159, 1, 30328}, {"", ""}}, {624.9684, 7.1091247, "Meta"} -> 
    {{26621, 1, 14354}, {"", ""}}, {534.1705, 7.1183324, "Meta"} -> 
    {{12832, 1, 12793}, {"", ""}}, {354.0646, 7.1213336, "Meta"} -> 
    {{44699, 46484, 39858}, {"", ""}}, {238.0838, 7.121195, "Meta"} -> 
    {{486691, 533332, 489023}, {"Propanoic acid, \
2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- [ C12 H14 O5, db=99.24, \
overall=49.62, KEGG ID=, CAS ID=53564-64-0 ]", "53564-64-0"}}, 
   {278.0763, 7.119251, "Meta"} -> {{297445, 247847, 267387}, {"", ""}}, 
   {351.0169, 7.127134, "Meta"} -> {{22363, 26173, 1}, {"", ""}}, 
   {1560.7216, 7.157438, "Meta"} -> {{322006, 315338, 322280}, {"", ""}}, 
   {941.4612, 7.1827216, "Meta"} -> {{58681, 46659, 55173}, {"", ""}}, 
   {299.2095, 7.264514, "Meta"} -> {{26025, 1, 22289}, {"", ""}}, 
   {270.1572, 7.337296, "Meta"} -> {{20781, 1, 22654}, {"", ""}}, 
   {280.1885, 7.331959, "Meta"} -> {{45436, 104732, 97442}, {"", ""}}, 
   {361.1425, 7.353097, "Meta"} -> {{50143, 27368, 29599}, 
     {"N-Acetylnorfloxacin [ C18 H20 F N3 O4, db=74.33, overall=37.17, KEGG \
ID=, CAS ID=74011-56-6 ]", "74011-56-6"}}, {309.194, 7.3625283, "Meta"} -> 
    {{201888, 160059, 164106}, {"Nadolol [ C17 H27 N O4, db=98.01, \
overall=49.00, KEGG ID=C07249, CAS ID=42200-33-9 ]", "42200-33-9"}}, 
   {920.4221, 7.436666, "Meta"} -> {{42226, 51098, 38129}, {"", ""}}, 
   {287.2094, 7.4803905, "Meta"} -> {{176722, 113405, 129096}, 
     {"O-octanoyl-R-carnitine [ C15 H29 N O4, db=84.96, overall=42.48, Lipid \
ID=, KEGG ID=C02838 ]", ""}}, {206.1518, 7.485084, "Meta"} -> 
    {{98851, 27420, 1}, {"", ""}}, {174.0887, 7.533999, "Meta"} -> 
    {{233768, 209794, 2818961}, {"2-Propylglutaric acid [ C8 H14 O4, \
db=96.02, overall=48.01, KEGG ID=, CAS ID=32806-62-5 ]", "32806-62-5"}}, 
   {142.0625, 7.5357056, "Meta"} -> {{104425, 63135, 742540}, 
     {"7-hydroxy-5-heptynoic acid [ C7 H10 O3, db=91.50, overall=45.75, Lipid \
ID=, KEGG ID= ]", ""}}, {833.3582, 7.620576, "Meta"} -> 
    {{842190, 750179, 840641}, {"", ""}}, {182.0914, 7.628904, "Meta"} -> 
    {{68673, 74658, 73757}, {"Dacarbazine [ C6 H10 N6 O, db=63.87, \
overall=31.94, KEGG ID=C06936, CAS ID=4342-03-4 ]", "3/4/42"}}, 
   {1389.6527, 7.619026, "Meta"} -> {{260486, 485305, 531709}, {"", ""}}, 
   {170.1415, 7.7676864, "Meta"} -> {{92123, 63765, 76173}, {"", ""}}, 
   {1193.519, 7.7542224, "Meta"} -> {{304939, 325983, 325702}, {"", ""}}, 
   {318.1216, 7.8365397, "Meta"} -> {{1, 1, 23997}, 
     {"Fluvoxamine acid [ C14 H17 F3 N2 O3, db=57.11, overall=28.55, KEGG \
ID=, CAS ID=84692-89-7 ]", "84692-89-7"}}, {432.8377, 7.851473, "Meta"} -> 
    {{33559, 35897, 34224}, {"", ""}}, {433.1729, 7.8523235, "Meta"} -> 
    {{26833, 29876, 24329}, {"", ""}}, {1245.5992, 7.851389, "Meta"} -> 
    {{1785361, 2448229, 2600938}, {"", ""}}, {415.2002, 7.8513994, "Meta"} -> 
    {{155181, 196023, 200213}, {"", ""}}, {428.1836, 7.8517575, "Meta"} -> 
    {{39721, 53470, 59446}, 
     {"Ser Trp His [ C20 H24 N6 O5, db=49.60, overall=24.80 ]", ""}}, 
   {1298.5118, 7.8517423, "Meta"} -> {{49977, 87314, 81919}, {"", ""}}, 
   {863.401, 7.871555, "Meta"} -> {{139393, 131154, 113715}, {"", ""}}, 
   {916.3146, 7.8727407, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {189.0785, 7.8873053, "Meta"} -> {{62239, 73828, 62013}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=68.09, overall=34.05, HMP \
ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {185.1414, 7.8914566, "Meta"} -> {{210446, 185194, 166667}, 
     {"N-methyl-Gabapentin [ C10 H19 N O2, db=74.42, overall=37.21, KEGG ID=, \
CAS ID=102937-74-6 ]", "102937-74-6"}}, {208.0732, 8.064808, "Meta"} -> 
    {{39327, 42045, 34661}, {"2,5-Dimethoxycinnamic acid [ C11 H12 O4, \
db=79.88, overall=39.94, HMP ID=HMDB02370, KEGG ID= ]", ""}}, 
   {318.1217, 8.112399, "Meta"} -> {{22441, 22851, 34115}, 
     {"Fluvoxamine acid [ C14 H17 F3 N2 O3, db=51.04, overall=25.52, KEGG \
ID=, CAS ID=84692-89-7 ]", "84692-89-7"}}, {186.1189, 8.142306, "Meta"} -> 
    {{310734, 111234, 246758}, {"", ""}}, {415.3079, 8.180323, "Meta"} -> 
    {{45940, 44927, 46416}, {"", ""}}, {301.2252, 8.18464, "Meta"} -> 
    {{110013, 100863, 101961}, {"", ""}}, {210.0888, 8.229969, "Meta"} -> 
    {{48038, 42553, 42469}, {"Methoxyhydroxymethylhydrocinnamic acid [ C11 \
H14 O4, db=76.31, overall=38.15, KEGG ID=, CAS ID=53832-93-2 ]", 
      "53832-93-2"}}, {619.2852, 8.249543, "Meta"} -> 
    {{26340, 34076, 45543}, 
     {" [ C34 H41 N3 O8, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {301.2252, 8.364499, "Meta"} -> {{40735, 47024, 46646}, {"", ""}}, 
   {224.1042, 8.49708, "Meta"} -> {{36696, 1, 33709}, {"", ""}}, 
   {222.0865, 8.595155, "Meta"} -> {{50298, 49693, 53622}, {"", ""}}, 
   {538.2428, 8.63658, "Meta"} -> {{11693, 12206, 1}, {"", ""}}, 
   {289.1346, 8.648037, "Meta"} -> {{25877, 24715, 17239}, {"", ""}}, 
   {332.1369, 8.648942, "Meta"} -> {{90720, 141811, 154160}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=83.61, \
overall=41.80, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {247.1604, 8.659072, "Meta"} -> {{76457, 95258, 1}, {"", ""}}, 
   {1395.5562, 8.677833, "Meta"} -> {{3197665, 3916824, 4379719}, {"", ""}}, 
   {1237.4865, 8.679944, "Meta"} -> {{473601, 503318, 633682}, {"", ""}}, 
   {1290.4019, 8.679688, "Meta"} -> {{42743, 39473, 47460}, {"", ""}}, 
   {1059.5352, 8.717444, "Meta"} -> {{71940, 158373, 166136}, {"", ""}}, 
   {201.1364, 8.713065, "Meta"} -> {{1, 1, 28734}, {"Capryloylglycine [ C10 \
H19 N O3, db=67.21, overall=33.61, HMP ID=HMDB00832, KEGG ID= ]", ""}}, 
   {302.1881, 8.721181, "Meta"} -> {{57300, 68389, 62372}, 
     {"2-Methoxyestradiol [ C19 H26 O3, db=78.62, overall=39.31, HMP \
ID=HMDB00405, KEGG ID= ]", ""}}, {496.2306, 8.726456, "Meta"} -> 
    {{88052, 87788, 93171}, {"", ""}}, {594.2002, 8.727458, "Meta"} -> 
    {{18692, 17890, 17702}, {"", ""}}, {332.1369, 8.780612, "Meta"} -> 
    {{400886, 533358, 625806}, {"Flecainide meta-O-dealkylated [ C15 H19 F3 \
N2 O3, db=85.03, overall=42.52, KEGG ID=, CAS ID=83526-33-4 ]", 
      "83526-33-4"}}, {430.1107, 8.796733, "Meta"} -> 
    {{1, 30046, 33347}, {"", ""}}, {300.1108, 8.80197, "Meta"} -> 
    {{99090, 125185, 153147}, {"", ""}}, {313.2252, 8.7906, "Meta"} -> 
    {{158062, 110607, 128206}, {"", ""}}, {286.2617, 8.82916, "Meta"} -> 
    {{34330, 45255, 46918}, {"", ""}}, {346.1526, 8.849605, "Meta"} -> 
    {{29793, 33955, 39292}, {"", ""}}, {215.1519, 8.867749, "Meta"} -> 
    {{55985, 117257, 123448}, {"", ""}}, {224.1021, 8.969444, "Meta"} -> 
    {{45366, 37874, 38817}, {"", ""}}, {223.1208, 8.969972, "Meta"} -> 
    {{27323, 27714, 26549}, {"Rimiterol [ C12 H17 N O3, db=47.61, \
overall=23.81, KEGG ID=, CAS ID=32953-89-2 ]", "32953-89-2"}}, 
   {196.1092, 8.977416, "Meta"} -> {{25049, 19018, 24238}, 
     {"Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- [ C11 H16 O3, db=59.23, \
overall=29.61, KEGG ID=, CAS ID=64111-04-2 ]", "64111-04-2"}}, 
   {253.165, 9.127285, "Meta"} -> {{224037, 217260, 208373}, {"", ""}}, 
   {199.157, 9.126751, "Meta"} -> {{536714, 531654, 543139}, {"", ""}}, 
   {1089.4962, 9.145666, "Meta"} -> {{100634, 161492, 174013}, {"", ""}}, 
   {346.1526, 9.17123, "Meta"} -> {{17633, 1, 27436}, {"", ""}}, 
   {181.1102, 9.210125, "Meta"} -> {{99503, 92962, 107715}, 
     {"2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- Metabolite [ C10 H15 N \
O2, db=76.98, overall=38.49, KEGG ID=, CAS ID= ]", ""}}, 
   {382.2563, 9.247962, "Meta"} -> {{203515, 57447, 232387}, 
     {"C17 Sphingosine-1-phosphate [ C17 H39 N2 O5 P, db=59.88, \
overall=29.94, Lipid ID=LMSP01040004, KEGG ID= ]", ""}}, 
   {592.3259, 9.304143, "Meta"} -> {{116513, 117965, 115696}, {"", ""}}, 
   {298.1321, 9.309667, "Meta"} -> {{28629, 42400, 32490}, {"", ""}}, 
   {411.1791, 9.316696, "Meta"} -> {{19885, 34815, 31887}, 
     {"Tyr Val Met [ C19 H29 N3 O5 S, db=58.11, overall=29.06 ]", ""}}, 
   {332.1369, 9.345439, "Meta"} -> {{25460, 31639, 52737}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=61.66, \
overall=30.83, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {189.1184, 9.360473, "Meta"} -> {{53798, 73933, 156381}, {"", ""}}, 
   {211.1571, 9.3698, "Meta"} -> {{48131, 56441, 54769}, {"", ""}}, 
   {196.1076, 9.373194, "Meta"} -> {{102489, 56636, 63412}, {"", ""}}, 
   {343.2259, 9.375806, "Meta"} -> {{18358, 39132, 23435}, 
     {"dibucaine [ C20 H29 N3 O2, db=78.46, overall=39.23, KEGG ID=, CAS \
ID=85-79-0 ]", "85-79-0"}}, {594.3415, 9.429972, "Meta"} -> 
    {{166012, 193261, 205954}, {"L-Urobilin [ C33 H46 N4 O6, db=97.19, \
overall=48.59, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {202.1203, 9.477693, "Meta"} -> {{1, 77287, 46230}, 
     {"sebacic acid [ C10 H18 O4, db=70.07, overall=35.04, KEGG ID=C08277, \
CAS ID=111-20-6 ]", "111-20-6"}}, {254.1153, 9.500695, "Meta"} -> 
    {{135757, 125213, 129828}, {"methyl \
4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ C13 H18 O5, \
db=77.56, overall=38.78, Lipid ID=, KEGG ID= ]", ""}}, 
   {640.2432, 9.499125, "Meta"} -> {{20997, 18227, 19006}, 
     {"5-Methyltetrahydropteroyltri-L-glutamate [ C25 H36 N8 O12, db=61.28, \
overall=30.64, KEGG ID=C04489, CAS ID= ]", ""}}, 
   {564.2544, 9.498889, "Meta"} -> {{64530, 57941, 63732}, {"", ""}}, 
   {330.2192, 9.5008, "Meta"} -> {{31071, 46124, 43869}, 
     {"Gestodene metabolite 2 [ C21 H30 O3, db=68.18, overall=34.09, KEGG \
ID=, CAS ID= ]", ""}}, {262.12, 9.519543, "Meta"} -> 
    {{41594, 34721, 35665}, {"Artemisin [ C15 H18 O4, db=68.17, \
overall=34.08, Lipid ID=LMPR01030020, KEGG ID=C09344 ]", ""}}, 
   {264.1357, 9.516806, "Meta"} -> {{114266, 104243, 102670}, {"", ""}}, 
   {327.2406, 9.530406, "Meta"} -> {{320540, 213844, 238555}, {"", ""}}, 
   {463.184, 9.53997, "Meta"} -> {{153528, 152112, 147327}, 
     {"Ritodrine glucuronide [ C23 H29 N O9, db=95.20, overall=47.60, KEGG \
ID=, CAS ID=129464-58-0 ]", "129464-58-0"}}, {273.1762, 9.569387, "Meta"} -> 
    {{70343, 75231, 86370}, {"", ""}}, {327.2405, 9.610461, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {273.1762, 9.6855, "Meta"} -> 
    {{102165, 108659, 100322}, {"", ""}}, {360.1935, 9.683611, "Meta"} -> 
    {{67726, 64786, 65485}, {"Aldosterone [ C21 H28 O5, db=80.00, \
overall=40.00, KEGG ID=, CAS ID=52-39-1 ]", "52-39-1"}}, 
   {238.1201, 9.702206, "Meta"} -> {{107247, 162096, 179749}, {"", ""}}, 
   {520.202, 9.758688, "Meta"} -> {{1, 15816, 13447}, {"", ""}}, 
   {422.2412, 9.75828, "Meta"} -> {{179249, 151740, 153577}, {"", ""}}, 
   {362.2091, 9.759223, "Meta"} -> {{441582, 391349, 390156}, 
     {"20alpha-Dihydroprednisolone [ C21 H30 O5, db=80.45, overall=40.22, \
KEGG ID=, CAS ID=15847-24-2 ]", "15847-24-2"}}, 
   {346.214, 9.791315, "Meta"} -> {{28118, 37412, 31475}, 
     {"Corticosterone [ C21 H30 O4, db=61.19, overall=30.59, HMP \
ID=HMDB01547, KEGG ID= ]", ""}}, {638.2274, 9.789353, "Meta"} -> 
    {{16499, 23339, 21727}, {"", ""}}, {346.1525, 9.793889, "Meta"} -> 
    {{175233, 169328, 188879}, {"", ""}}, {562.2387, 9.788788, "Meta"} -> 
    {{44942, 63153, 72489}, {"", ""}}, {557.2833, 9.790912, "Meta"} -> 
    {{18743, 20818, 20330}, {"", ""}}, {510.2462, 9.815877, "Meta"} -> 
    {{24683, 20466, 22233}, {"", ""}}, {229.1674, 9.85191, "Meta"} -> 
    {{45962, 54438, 61540}, {"", ""}}, {548.2599, 9.858362, "Meta"} -> 
    {{27282, 23387, 22384}, {"", ""}}, {504.2344, 9.858466, "Meta"} -> 
    {{14243, 14689, 1}, {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, \
db=72.48, overall=36.24, KEGG ID=, CAS ID= ]", ""}}, 
   {470.3088, 9.879321, "Meta"} -> {{1, 160545, 183226}, {"", ""}}, 
   {550.2021, 9.877315, "Meta"} -> {{25367, 24752, 21371}, {"", ""}}, 
   {346.1525, 9.904173, "Meta"} -> {{150935, 163459, 179950}, {"", ""}}, 
   {238.0238, 9.941334, "Meta"} -> {{112485, 38763, 90005}, {"", ""}}, 
   {396.272, 9.949917, "Meta"} -> {{151522, 162128, 158639}, {"", ""}}, 
   {352.1786, 9.951111, "Meta"} -> {{51626, 71260, 69974}, {"", ""}}, 
   {244.0709, 9.960057, "Meta"} -> {{79866, 53400, 1}, 
     {"Uridine [ C9 H12 N2 O6, db=67.18, overall=33.59, KEGG ID=C00299, CAS \
ID=58-96-8 ]", "58-96-8"}}, {238.1185, 9.979892, "Meta"} -> 
    {{31977, 26690, 24732}, {"", ""}}, {330.1981, 9.977964, "Meta"} -> 
    {{47465, 70131, 1}, 
     {"Val Arg Gly [ C13 H26 N6 O4, db=57.73, overall=28.86 ]", ""}}, 
   {284.0936, 9.975928, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {463.2106, 10.027572, "Meta"} -> {{16703, 14857, 13459}, {"", ""}}, 
   {314.1266, 10.0307455, "Meta"} -> {{123062, 112266, 150812}, {"", ""}}, 
   {314.2933, 10.043069, "Meta"} -> {{49513, 47156, 1}, {"", ""}}, 
   {285.1574, 10.05632, "Meta"} -> {{23276, 18091, 21745}, 
     {"6,7-Dimethyltetrahydropterin [ C15 H19 N5 O, db=55.04, overall=27.52, \
HMP ID=HMDB02397, KEGG ID= ]", ""}}, {300.1323, 10.061844, "Meta"} -> 
    {{38470, 1, 104687}, {"8-Hydroxypromazine [ C17 H20 N2 O S, db=45.98, \
overall=22.99, KEGG ID=, CAS ID=130349-17-6 ]", "130349-17-6"}}, 
   {356.0424, 10.055119, "Meta"} -> {{65547, 59463, 45335}, {"", ""}}, 
   {758.2462, 10.054517, "Meta"} -> {{82355, 85016, 87211}, {"", ""}}, 
   {524.1633, 10.055028, "Meta"} -> {{36381, 44658, 40056}, {"", ""}}, 
   {338.0701, 10.055571, "Meta"} -> {{293100, 254984, 240187}, 
     {"Asn Cys Cys [ C10 H18 N4 O5 S2, db=69.48, overall=34.74 ]", ""}}, 
   {240.0997, 10.05514, "Meta"} -> {{3327429, 3172728, 3184585}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=99.31, overall=49.66, KEGG ID=, CAS ID=56392-15-5 ]", "56392-15-5"}}, 
   {180.0783, 10.055166, "Meta"} -> {{383821, 372612, 377508}, 
     {"o-Methoxyhydrocinnamic acid [ C10 H12 O3, db=99.04, overall=49.52, \
KEGG ID=, CAS ID= ]", ""}}, {222.0891, 10.055057, "Meta"} -> 
    {{1997125, 1942725, 1906397}, {"2E,4E,8E,10E-Dodecatetraenedioic acid [ \
C12 H14 O4, db=99.63, overall=49.81, Lipid ID=, KEGG ID= ]", ""}}, 
   {773.212, 10.0548, "Meta"} -> {{31772, 21633, 19104}, {"", ""}}, 
   {428.1355, 10.05561, "Meta"} -> {{45385, 47494, 44469}, {"", ""}}, 
   {284.0629, 10.055297, "Meta"} -> {{1, 24790, 21117}, {"", ""}}, 
   {370.0939, 10.056542, "Meta"} -> {{27754, 27350, 29303}, {"", ""}}, 
   {518.1473, 10.055831, "Meta"} -> {{109559, 86605, 29804}, {"", ""}}, 
   {353.0342, 10.055324, "Meta"} -> {{143952, 123536, 105908}, {"", ""}}, 
   {413.0684, 10.055799, "Meta"} -> {{69307, 63927, 52034}, {"", ""}}, 
   {254.1151, 10.055778, "Meta"} -> {{96762, 97946, 96654}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=92.65, overall=46.32, Lipid ID=, KEGG ID= ]", ""}}, 
   {382.1291, 10.055561, "Meta"} -> {{1, 33088, 45357}, 
     {"Asn Phe Cys [ C16 H22 N4 O5 S, db=52.83, overall=26.41 ]", ""}}, 
   {270.1108, 10.057515, "Meta"} -> {{201476, 204689, 183376}, 
     {"Idebenone Metabolite (Benzenebutanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C13 H18 O6, db=87.10, overall=43.55, \
KEGG ID=, CAS ID=95233-52-6 ]", "95233-52-6"}}, 
   {238.0837, 10.05803, "Meta"} -> {{39000, 42904, 55355}, 
     {"Propanoic acid, 2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- [ C12 H14 O5, \
db=79.56, overall=39.78, KEGG ID=, CAS ID=53564-64-0 ]", "53564-64-0"}}, 
   {329.2564, 10.071557, "Meta"} -> {{112525, 107325, 117335}, {"", ""}}, 
   {298.1417, 10.074715, "Meta"} -> {{140176, 82778, 74493}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=61.89, overall=30.94, \
KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {267.1807, 10.080885, "Meta"} -> {{72595, 59879, 71922}, 
     {"Metoprolol [ C15 H25 N O3, db=55.81, overall=27.91, KEGG ID=C07202, \
CAS ID=51384-51-1 ]", "51384-51-1"}}, {213.1727, 10.082888, "Meta"} -> 
    {{112108, 152375, 118991}, {"", ""}}, {280.1306, 10.084135, "Meta"} -> 
    {{40018, 39502, 35641}, {"Betaxolol(deaminated) [ C15 H20 O5, db=67.92, \
overall=33.96, KEGG ID=, CAS ID=87549-34-6 ]", "87549-34-6"}}, 
   {324.0999, 10.10015, "Meta"} -> {{694961, 44271, 164883}, 
     {"7-Hydroxywarfarin [ C19 H16 O5, db=62.79, overall=31.40, KEGG ID=, CAS \
ID=17834-03-6 ]", "17834-03-6"}}, {542.2723, 10.113879, "Meta"} -> 
    {{1, 1, 20822}, {"", ""}}, {226.1503, 10.1374, "Meta"} -> 
    {{47038, 1, 55542}, {"", ""}}, {564.2545, 10.16625, "Meta"} -> 
    {{15511, 24801, 16290}, {"", ""}}, {157.1461, 10.186832, "Meta"} -> 
    {{180734, 201858, 267004}, {"", ""}}, {776.6856, 10.190693, "Meta"} -> 
    {{130960, 129296, 125848}, {"Thyroxine [ C15 H11 I4 N O4, db=98.31, \
overall=49.15, KEGG ID=C08212, CAS ID=51-48-9 ]", "51-48-9"}}, 
   {275.1915, 10.220444, "Meta"} -> {{202250, 205094, 206743}, {"", ""}}, 
   {258.165, 10.220358, "Meta"} -> {{21799, 25998, 20766}, {"", ""}}, 
   {250.1179, 10.22413, "Meta"} -> {{15316, 17444, 15216}, {"", ""}}, 
   {210.123, 10.228934, "Meta"} -> {{85631, 88846, 1}, {"", ""}}, 
   {346.1381, 10.229135, "Meta"} -> {{19316, 16894, 1}, {"", ""}}, 
   {286.1097, 10.229067, "Meta"} -> {{19808, 17854, 16649}, 
     {"His Met [ C11 H18 N4 O3 S, db=62.46, overall=31.23 ]", ""}}, 
   {438.1865, 10.251937, "Meta"} -> {{14267, 12068, 16198}, 
     {"Phe Ser Trp [ C23 H26 N4 O5, db=47.42, overall=23.71 ]", ""}}, 
   {254.1509, 10.254307, "Meta"} -> {{1, 1, 21027}, {"", ""}}, 
   {222.1614, 10.2523, "Meta"} -> {{18069, 21625, 22046}, {"", ""}}, 
   {272.162, 10.262467, "Meta"} -> {{45736, 46273, 1}, {"", ""}}, 
   {324.0948, 10.281, "Meta"} -> {{34073, 26578, 25112}, {"", ""}}, 
   {166.0989, 10.282687, "Meta"} -> {{45485, 47686, 44752}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=46.36, overall=23.18, Lipid \
ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, {615.2453, 10.311601, "Meta"} -> 
    {{45895, 39967, 32730}, {"", ""}}, {582.2476, 10.3178005, "Meta"} -> 
    {{482016, 511401, 504210}, {"Biliverdin IX [ C33 H34 N4 O6, db=70.82, \
overall=35.41, HMP ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", 
      " 114-25-0"}}, {612.2579, 10.319498, "Meta"} -> 
    {{53368, 23822, 23154}, {"", ""}}, {598.2435, 10.3203745, "Meta"} -> 
    {{39193, 1, 37564}, {"", ""}}, {580.2318, 10.321624, "Meta"} -> 
    {{1, 86994, 1}, {"", ""}}, {302.1078, 10.325857, "Meta"} -> 
    {{50575, 48824, 49627}, {"", ""}}, {299.1918, 10.32961, "Meta"} -> 
    {{263061, 297189, 271665}, {"", ""}}, {144.1147, 10.324371, "Meta"} -> 
    {{86124, 87628, 83126}, {"\207-ethyl caproic acid [ C8 H16 O2, db=81.51, \
overall=40.75, KEGG ID=, CAS ID= ]", ""}}, {489.1998, 10.348856, "Meta"} -> 
    {{27412, 22858, 26532}, {"Terbinafine metabolite glucuronide [ C25 H31 N \
O9, db=76.80, overall=38.40, KEGG ID=, CAS ID= ]", ""}}, 
   {264.0959, 10.353962, "Meta"} -> {{41551, 28532, 28842}, {"", ""}}, 
   {319.0784, 10.364562, "Meta"} -> {{1, 1, 21399}, {"", ""}}, 
   {453.2262, 10.414259, "Meta"} -> {{45258, 45307, 53894}, {"", ""}}, 
   {252.134, 10.437142, "Meta"} -> {{78660, 75130, 71443}, {"", ""}}, 
   {343.2186, 10.472101, "Meta"} -> {{43804, 45328, 1}, {"", ""}}, 
   {632.2476, 10.46173, "Meta"} -> {{11788, 13629, 19216}, {"", ""}}, 
   {314.1266, 10.46791, "Meta"} -> {{30898, 30704, 22191}, {"", ""}}, 
   {245.145, 10.478071, "Meta"} -> {{64819, 28591, 1}, {"", ""}}, 
   {690.4105, 10.481418, "Meta"} -> {{1, 1, 11549}, {"", ""}}, 
   {492.2092, 10.482031, "Meta"} -> {{35446, 35002, 32789}, {"", ""}}, 
   {416.2284, 10.482223, "Meta"} -> {{129294, 117635, 113302}, 
     {"Ramipril [ C23 H32 N2 O5, db=71.08, overall=35.54, KEGG ID=C07232, CAS \
ID=87333-19-5 ]", "87333-19-5"}}, {356.1961, 10.4823885, "Meta"} -> 
    {{170631, 155530, 147091}, {"", ""}}, {316.2036, 10.483486, "Meta"} -> 
    {{63891, 66693, 61476}, {"Acitretin Ro 23-4293 [ C20 H28 O3, db=83.16, \
overall=41.58, KEGG ID=, CAS ID=121693-28-5 ]", "121693-28-5"}}, 
   {319.218, 10.518692, "Meta"} -> {{36237, 1, 35528}, {"", ""}}, 
   {250.118, 10.512572, "Meta"} -> {{66745, 48960, 41504}, {"", ""}}, 
   {205.1132, 10.609686, "Meta"} -> {{180294, 85429, 1}, {"", ""}}, 
   {218.0879, 10.616875, "Meta"} -> {{1, 82147, 1}, {"", ""}}, 
   {254.1511, 10.619676, "Meta"} -> {{45628, 43937, 47488}, {"", ""}}, 
   {243.1831, 10.626083, "Meta"} -> {{214983, 132080, 214462}, {"", ""}}, 
   {225.1725, 10.6266775, "Meta"} -> {{40001, 45917, 40411}, {"", ""}}, 
   {385.2821, 10.648808, "Meta"} -> {{39844, 25902, 28671}, {"", ""}}, 
   {602.2044, 10.638667, "Meta"} -> {{16757, 17526, 16647}, {"", ""}}, 
   {545.3771, 10.661119, "Meta"} -> {{111260, 110085, 117004}, {"", ""}}, 
   {325.2075, 10.677681, "Meta"} -> {{22880, 27083, 25832}, {"", ""}}, 
   {173.1233, 10.677229, "Meta"} -> {{164184, 1, 161233}, {"", ""}}, 
   {171.1619, 10.675749, "Meta"} -> {{107409, 110240, 116535}, {"", ""}}, 
   {301.2074, 10.694365, "Meta"} -> {{104914, 1, 108651}, {"", ""}}, 
   {286.1105, 10.689359, "Meta"} -> {{25462, 19774, 1}, 
     {"Hydroxymelphalan [ C13 H19 Cl N2 O3, db=66.75, overall=33.38, KEGG \
ID=, CAS ID=61733-01-5 ]", "61733-01-5"}}, {346.1349, 10.691233, "Meta"} -> 
    {{1, 22006, 24081}, {"", ""}}, {343.2722, 10.704386, "Meta"} -> 
    {{1, 53634, 55839}, {"Dodecanoylcarnitine [ C19 H37 N O4, db=90.71, \
overall=45.36, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {302.1125, 10.712086, "Meta"} -> {{22304, 25797, 21555}, {"", ""}}, 
   {340.1257, 10.728134, "Meta"} -> {{18785, 14914, 18191}, {"", ""}}, 
   {242.1516, 10.728, "Meta"} -> {{153089, 146472, 1}, {"", ""}}, 
   {400.1631, 10.728265, "Meta"} -> {{22961, 22512, 24495}, 
     {"N-AcetylCilastatin [ C18 H28 N2 O6 S, db=63.48, overall=31.74, KEGG \
ID=, CAS ID=94388-32-6 ]", "94388-32-6"}}, {331.2723, 10.732485, "Meta"} -> 
    {{57970, 45163, 48516}, {"", ""}}, {252.1335, 10.748029, "Meta"} -> 
    {{63196, 54629, 60736}, {"", ""}}, {212.1408, 10.760103, "Meta"} -> 
    {{33265, 33937, 1}, {"12-oxo-10Z-dodecenoic acid [ C12 H20 O3, db=80.89, \
overall=40.45, Lipid ID=, KEGG ID= ]", ""}}, {239.1884, 10.751323, "Meta"} -> 
    {{45967, 52892, 39780}, {"", ""}}, {226.0562, 10.78225, "Meta"} -> 
    {{71168, 59485, 85605}, {"", ""}}, {367.2718, 10.79603, "Meta"} -> 
    {{119507, 72043, 91295}, {"", ""}}, {262.1177, 10.825701, "Meta"} -> 
    {{31734, 25602, 30152}, {"", ""}}, {343.2721, 10.835971, "Meta"} -> 
    {{413169, 259418, 296839}, {"Dodecanoylcarnitine [ C19 H37 N O4, \
db=97.12, overall=48.56, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {227.1882, 10.834806, "Meta"} -> {{417666, 294441, 389921}, {"", ""}}, 
   {281.1964, 10.834471, "Meta"} -> {{197478, 156630, 174399}, {"", ""}}, 
   {589.4036, 10.839125, "Meta"} -> {{98981, 103267, 108961}, {"", ""}}, 
   {316.1647, 10.838167, "Meta"} -> {{32886, 45005, 38602}, 
     {"Gibberellin A9 [ C19 H24 O4, db=60.62, overall=30.31, Lipid \
ID=LMPR01040080, KEGG ID=C11863 ]", ""}}, {594.3588, 10.837862, "Meta"} -> 
    {{1, 147216, 1}, {"", ""}}, {346.1531, 10.850415, "Meta"} -> 
    {{1, 31484, 33053}, {"", ""}}, {360.1682, 10.850501, "Meta"} -> 
    {{51912, 46203, 49544}, {"", ""}}, {328.142, 10.851166, "Meta"} -> 
    {{174095, 172882, 186166}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=71.54, overall=35.77 ]", ""}}, 
   {298.1327, 10.851243, "Meta"} -> {{31659, 24585, 35846}, {"", ""}}, 
   {355.272, 10.84606, "Meta"} -> {{438801, 273115, 315465}, {"", ""}}, 
   {383.288, 10.873963, "Meta"} -> {{67396, 65746, 65784}, {"", ""}}, 
   {388.2436, 10.871462, "Meta"} -> {{1, 1, 97613}, 
     {"Thr Ile Arg [ C16 H32 N6 O5, db=61.43, overall=30.71 ]", ""}}, 
   {284.1808, 10.88514, "Meta"} -> {{53944, 56767, 62574}, {"", ""}}, 
   {301.2077, 10.885583, "Meta"} -> {{1636763, 1708840, 1677720}, {"", ""}}, 
   {276.1936, 10.92211, "Meta"} -> {{146369, 150831, 152661}, {"", ""}}, 
   {342.3243, 10.933499, "Meta"} -> {{1, 1, 42287}, {"", ""}}, 
   {242.1516, 10.939269, "Meta"} -> {{47552, 1, 63160}, {"", ""}}, 
   {400.163, 10.940041, "Meta"} -> {{1, 1, 1}, {"N-AcetylCilastatin [ C18 H28 \
N2 O6 S, db=61.45, overall=30.73, KEGG ID=, CAS ID=94388-32-6 ]", 
      "94388-32-6"}}, {287.2463, 10.968501, "Meta"} -> 
    {{95901, 77921, 86177}, {"", ""}}, {498.3417, 10.976148, "Meta"} -> 
    {{1, 67223, 65974}, {"", ""}}, {381.2882, 10.990801, "Meta"} -> 
    {{24408, 21693, 25223}, {"5,6-DiHETrE-EA [ C22 H39 N O4, db=62.62, \
overall=31.31, Lipid ID=LMFA08040029, KEGG ID= ]", ""}}, 
   {431.2308, 10.993176, "Meta"} -> {{30229, 20273, 33757}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=63.44, overall=31.72 ]", ""}}, 
   {414.2039, 10.993806, "Meta"} -> {{196409, 135129, 181653}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=75.35, overall=37.67 ]", ""}}, 
   {616.403, 10.994139, "Meta"} -> {{152597, 166193, 159570}, {"", ""}}, 
   {633.4297, 10.99538, "Meta"} -> {{84452, 89678, 100631}, {"", ""}}, 
   {285.9721, 10.995276, "Meta"} -> {{37360, 1, 43441}, {"", ""}}, 
   {249.1109, 11.002543, "Meta"} -> {{36733, 63098, 46574}, {"", ""}}, 
   {440.2017, 10.997424, "Meta"} -> {{28418, 26902, 27986}, 
     {"Phe Gln Phe [ C23 H28 N4 O5, db=38.67, overall=19.34 ]", ""}}, 
   {276.1334, 11.004139, "Meta"} -> {{64278, 42576, 66178}, 
     {"Saccharopine [ C11 H20 N2 O6, db=56.45, overall=28.23, KEGG ID=, CAS \
ID=997-68-2 ]", "997-68-2"}}, {465.3087, 11.014788, "Meta"} -> 
    {{16295, 1, 1}, {"Cholylglycine [ C26 H43 N O6, db=75.71, overall=37.85, \
KEGG ID=, CAS ID=475-31-0 ]", "475-31-0"}}, {236.1403, 11.007713, "Meta"} -> 
    {{1, 85253, 79965}, {"", ""}}, {345.2335, 11.036324, "Meta"} -> 
    {{208145, 190514, 191225}, {"", ""}}, {410.2874, 11.06508, "Meta"} -> 
    {{98650, 96280, 1}, {"", ""}}, {402.2185, 11.074946, "Meta"} -> 
    {{23377, 29950, 22707}, {"Trandolaprilat [ C22 H30 N2 O5, db=47.66, \
overall=23.83, KEGG ID=, CAS ID=87679-71-8 ]", "87679-71-8"}}, 
   {276.0972, 11.078914, "Meta"} -> {{169525, 178447, 120272}, 
     {"Glu Glu [ C10 H16 N2 O7, db=71.47, overall=35.73 ]", ""}}, 
   {331.2721, 11.109583, "Meta"} -> {{93458, 108593, 35740}, {"", ""}}, 
   {402.1563, 11.114313, "Meta"} -> {{16936, 1, 675662}, {"", ""}}, 
   {321.215, 11.114806, "Meta"} -> {{206683, 86253, 8538686}, {"", ""}}, 
   {304.1884, 11.114723, "Meta"} -> {{600749, 225320, 2.23*^7}, {"", ""}}, 
   {224.0838, 11.132531, "Meta"} -> {{43558, 30909, 1}, {"", ""}}, 
   {278.0912, 11.133195, "Meta"} -> {{52391, 46768, 1}, 
     {"Glu Met [ C10 H18 N2 O5 S, db=50.61, overall=25.31 ]", ""}}, 
   {327.223, 11.149416, "Meta"} -> {{222274, 206645, 196564}, 
     {"Levonorgestrel oxime [ C21 H29 N O2, db=60.97, overall=30.49, KEGG \
ID=, CAS ID=53016-31-2 ]", "53016-31-2"}}, {172.1474, 11.181901, "Meta"} -> 
    {{40229, 72062, 27810}, {"3-methyl-nonanoic acid [ C10 H20 O2, db=48.71, \
overall=24.36, Lipid ID=, KEGG ID= ]", ""}}, {238.1544, 11.197818, "Meta"} -> 
    {{137106, 107185, 142837}, {"", ""}}, {265.0592, 11.2015, "Meta"} -> 
    {{96873, 117390, 112842}, {"", ""}}, {256.1671, 11.202999, "Meta"} -> 
    {{85811, 20659, 84890}, {"", ""}}, {331.272, 11.201206, "Meta"} -> 
    {{24930, 22062, 20579}, {"", ""}}, {202.1566, 11.219847, "Meta"} -> 
    {{130723, 1, 87163}, {"10-hydroxy-undecanoic acid [ C11 H22 O3, db=57.60, \
overall=28.80, Lipid ID=, KEGG ID= ]", ""}}, {357.2877, 11.224555, "Meta"} -> 
    {{483023, 468859, 483770}, {"", ""}}, {287.2463, 11.230424, "Meta"} -> 
    {{24011, 22918, 22945}, {"", ""}}, {286.196, 11.254839, "Meta"} -> 
    {{29246, 28675, 24279}, {"Androstenedione [ C19 H26 O2, db=51.24, \
overall=25.62, KEGG ID=C00280, CAS ID=63-05-8 ]", "63-05-8"}}, 
   {306.1806, 11.240032, "Meta"} -> {{23147, 39305, 44542}, 
     {"Tetranor Iloprost [ C18 H26 O4, db=57.37, overall=28.69, KEGG ID=, CAS \
ID=93220-69-0 ]", "93220-69-0"}}, {303.223, 11.255501, "Meta"} -> 
    {{440496, 432495, 413868}, {"", ""}}, {288.1332, 11.251001, "Meta"} -> 
    {{34546, 28964, 35995}, {"4-Methylumbelliferyl heptanoate [ C17 H20 O4, \
db=40.76, overall=20.38, KEGG ID=, CAS ID=18319-92-1 ]", "18319-92-1"}}, 
   {248.1406, 11.251324, "Meta"} -> {{31737, 14051, 17608}, 
     {"2,4-Pentadienoic acid, \
3-methyl-5-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)- [ C15 H20 O3, db=58.71, \
overall=29.36, KEGG ID=, CAS ID=126624-24-6 ]", "126624-24-6"}}, 
   {358.2326, 11.257731, "Meta"} -> {{57711, 60673, 52228}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=70.59, overall=35.30 ]", ""}}, 
   {717.4275, 11.272499, "Meta"} -> {{107056, 94827, 138987}, {"", ""}}, 
   {587.1718, 11.289588, "Meta"} -> {{25560, 18084, 18885}, {"", ""}}, 
   {294.1107, 11.290332, "Meta"} -> {{31965, 27181, 29690}, {"", ""}}, 
   {1280.5605, 11.288729, "Meta"} -> {{31353, 1, 21386}, {"", ""}}, 
   {452.1514, 11.289388, "Meta"} -> {{87805, 57209, 71661}, {"", ""}}, 
   {586.2752, 11.289446, "Meta"} -> {{186136, 125824, 178740}, {"", ""}}, 
   {527.1393, 11.289233, "Meta"} -> {{1, 86085, 89926}, {"", ""}}, 
   {496.1945, 11.289706, "Meta"} -> {{37455, 23515, 29662}, 
     {"Trp Glu Tyr [ C25 H28 N4 O7, db=59.40, overall=29.70 ]", ""}}, 
   {845.4351, 11.289027, "Meta"} -> {{401473, 201538, 386703}, {"", ""}}, 
   {530.1451, 11.290032, "Meta"} -> {{1, 43061, 44936}, 
     {"Ketoconazole [ C26 H28 Cl2 N4 O4, db=59.08, overall=29.54, KEGG \
ID=C07061, CAS ID=65277-42-1 ]", "65277-42-1"}}, 
   {531.2824, 11.290118, "Meta"} -> {{1, 22343, 38599}, {"", ""}}, 
   {866.3558, 11.289026, "Meta"} -> {{109066, 54131, 80323}, {"", ""}}, 
   {876.3872, 11.289584, "Meta"} -> {{53114, 32843, 43265}, {"", ""}}, 
   {608.2851, 11.289752, "Meta"} -> {{26653, 17618, 22628}, 
     {" [ C34 H42 N O9, db=0.00, overall=41.18, mfg=82.37 ]", ""}}, 
   {445.2463, 11.290056, "Meta"} -> {{136730, 110331, 137094}, {"", ""}}, 
   {534.248, 11.289888, "Meta"} -> {{1112340, 887696, 1131526}, {"", ""}}, 
   {512.1748, 11.289804, "Meta"} -> {{308959, 205291, 268944}, {"", ""}}, 
   {485.2606, 11.290346, "Meta"} -> {{105426, 35025, 1}, {"", ""}}, 
   {414.2037, 11.289584, "Meta"} -> {{1.41*^7, 9634872, 1.23*^7}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=82.04, overall=41.02 ]", ""}}, 
   {280.131, 11.2896385, "Meta"} -> {{114153, 80756, 117788}, 
     {"Betaxolol(deaminated) [ C15 H20 O5, db=93.07, overall=46.54, KEGG ID=, \
CAS ID=87549-34-6 ]", "87549-34-6"}}, {431.2309, 11.289611, "Meta"} -> 
    {{4321024, 3030229, 4414505}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=83.76, overall=41.88 ]", ""}}, 
   {487.292, 11.2910595, "Meta"} -> {{46900, 30391, 36990}, {"", ""}}, 
   {544.1991, 11.289091, "Meta"} -> {{33575, 22935, 24033}, {"", ""}}, 
   {471.2445, 11.291112, "Meta"} -> {{1, 37619, 39442}, {"", ""}}, 
   {459.2618, 11.289667, "Meta"} -> {{563037, 407823, 591032}, 
     {"Arg Val Trp [ C22 H33 N7 O4, db=83.80, overall=41.90 ]", ""}}, 
   {457.2271, 11.291111, "Meta"} -> {{108847, 77150, 91374}, {"", ""}}, 
   {493.246, 11.289943, "Meta"} -> {{37965, 27166, 32286}, 
     {"Epothilone A [ C26 H39 N O6 S, db=62.97, overall=31.48, Lipid \
ID=LMPK01000045, KEGG ID=C12153 ]", ""}}, {560.2447, 11.289834, "Meta"} -> 
    {{33496, 28146, 33662}, {"Chloramphenicol palmitate [ C27 H42 Cl2 N2 O6, \
db=50.93, overall=25.46, KEGG ID=C11726, CAS ID=530-43-8 ]", "530-43-8"}}, 
   {473.2773, 11.28986, "Meta"} -> {{97307, 88664, 161548}, 
     {"Leu Trp Arg [ C23 H35 N7 O4, db=65.72, overall=32.86 ]", ""}}, 
   {480.1932, 11.290501, "Meta"} -> {{61266, 35626, 38167}, {"", ""}}, 
   {440.2009, 11.290919, "Meta"} -> {{178785, 138947, 135416}, 
     {"punaglandin 8 [ C23 H33 Cl O6, db=31.94, overall=15.97, Lipid \
ID=LMFA03120045, KEGG ID= ]", ""}}, {749.4477, 11.296001, "Meta"} -> 
    {{20103, 18274, 20178}, {"", ""}}, {455.3245, 11.3231, "Meta"} -> 
    {{81449, 70920, 63790}, {"", ""}}, {369.2876, 11.339501, "Meta"} -> 
    {{377934, 187864, 276429}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, \
db=97.62, overall=48.81, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {226.1929, 11.347332, "Meta"} -> {{129280, 132384, 114030}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=85.58, overall=42.79, \
KEGG ID=, CAS ID= ]", ""}}, {336.1572, 11.353258, "Meta"} -> 
    {{82214, 34839, 132135}, {"", ""}}, {243.2196, 11.351666, "Meta"} -> 
    {{32752, 1, 34065}, {"2-amino-tetradecanoic acid [ C14 H29 N O2, \
db=77.47, overall=38.74, Lipid ID=, KEGG ID= ]", ""}}, 
   {256.1672, 11.371285, "Meta"} -> {{124330, 127008, 124604}, {"", ""}}, 
   {285.1361, 11.375806, "Meta"} -> {{454042, 113924, 551555}, 
     {"Morphine [ C17 H19 N O3, db=95.72, overall=47.86, KEGG ID=C01516, CAS \
ID=57-27-2 ]", "57-27-2"}}, {282.1465, 11.395613, "Meta"} -> 
    {{117894, 119063, 121247}, {"Artemisinin [ C15 H22 O5, db=88.47, \
overall=44.23, KEGG ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {208.1094, 11.39564, "Meta"} -> {{190824, 195972, 189264}, 
     {"1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo- [ C12 H16 O3, \
db=81.98, overall=40.99, KEGG ID=, CAS ID=28043-09-6 ]", "28043-09-6"}}, 
   {250.1206, 11.395556, "Meta"} -> {{1344275, 1294399, 1327922}, 
     {"Ubiquinone [ C14 H18 O4, db=99.59, overall=49.80, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {366.1019, 11.395695, "Meta"} -> 
    {{211507, 170661, 167828}, 
     {"Cys Asn Met [ C12 H22 N4 O5 S2, db=72.32, overall=36.16 ]", ""}}, 
   {381.0665, 11.395805, "Meta"} -> {{84252, 62069, 47584}, {"", ""}}, 
   {268.131, 11.395668, "Meta"} -> {{2393028, 2240391, 2151858}, {"", ""}}, 
   {842.34, 11.395239, "Meta"} -> {{1, 31211, 22217}, {"", ""}}, 
   {589.1759, 11.39528, "Meta"} -> {{16944, 14273, 10540}, {"", ""}}, 
   {384.0751, 11.395806, "Meta"} -> {{61749, 46510, 35710}, {"", ""}}, 
   {649.2068, 11.395183, "Meta"} -> {{33678, 20812, 18461}, {"", ""}}, 
   {504.2696, 11.396668, "Meta"} -> {{43979, 35302, 29874}, {"", ""}}, 
   {312.0943, 11.396322, "Meta"} -> {{20261, 20122, 21943}, {"", ""}}, 
   {575.2477, 11.396999, "Meta"} -> {{25688, 23776, 24937}, {"", ""}}, 
   {328.1616, 11.3960285, "Meta"} -> {{89365, 78801, 84369}, 
     {"Methotrimeprazine [ C19 H24 N2 O S, db=76.92, overall=38.46, KEGG \
ID=C07192, CAS ID=60-99-1 ]", "60-99-1"}}, {441.1043, 11.396527, "Meta"} -> 
    {{59887, 56715, 41654}, {"", ""}}, {398.1249, 11.39558, "Meta"} -> 
    {{19119, 18575, 19803}, 
     {"Cys Tyr Asn [ C16 H22 N4 O6 S, db=64.30, overall=32.15 ]", ""}}, 
   {410.1626, 11.397676, "Meta"} -> {{1, 33238, 1}, 
     {"Phe Asn Met [ C18 H26 N4 O5 S, db=72.68, overall=36.34 ]", ""}}, 
   {426.1383, 11.396766, "Meta"} -> {{1, 168215, 171442}, 
     {"Mometasone [ C22 H28 Cl2 O4, db=54.85, overall=27.42, KEGG ID=C07816, \
CAS ID=105102-22-5 ]", "105102-22-5"}}, {136.1248, 11.399722, "Meta"} -> 
    {{47782, 45508, 44290}, {"(+)-Limonene [ C10 H16, db=85.33, \
overall=42.67, Lipid ID=LMPR01020041, KEGG ID=C06099 ]", ""}}, 
   {266.115, 11.397911, "Meta"} -> {{24115, 1, 30767}, {"", ""}}, 
   {214.1567, 11.399723, "Meta"} -> {{684163, 644490, 648622}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=86.76, overall=43.38, \
Lipid ID=, KEGG ID= ]", ""}}, {274.189, 11.399056, "Meta"} -> 
    {{100736, 96742, 46118}, {"", ""}}, {312.1249, 11.399559, "Meta"} -> 
    {{23943, 23824, 21228}, {"", ""}}, {154.1354, 11.39986, "Meta"} -> 
    {{81003, 85729, 85161}, {"Linalool [ C10 H18 O, db=84.18, overall=42.09, \
Lipid ID=LMPR01020038, KEGG ID=C03985 ]", ""}}, 
   {647.4454, 11.415207, "Meta"} -> {{111604, 115224, 129061}, {"", ""}}, 
   {196.1447, 11.415208, "Meta"} -> {{28392, 25322, 22061}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=61.34, overall=30.67, Lipid ID=, \
KEGG ID= ]", ""}}, {397.3034, 11.419818, "Meta"} -> 
    {{91820, 90602, 102186}, {"", ""}}, {518.121, 11.434154, "Meta"} -> 
    {{21236, 17648, 13892}, {"", ""}}, {336.157, 11.451531, "Meta"} -> 
    {{63149, 1, 41441}, {"", ""}}, {246.1829, 11.451807, "Meta"} -> 
    {{201521, 27484, 169728}, {"", ""}}, {241.2038, 11.455589, "Meta"} -> 
    {{36704, 51856, 43223}, {"", ""}}, {478.2178, 11.45214, "Meta"} -> 
    {{30891, 27577, 27531}, {"Formestane-4-O-glucuronide [ C25 H34 O9, \
db=82.02, overall=41.01, KEGG ID=, CAS ID=102848-54-4 ]", "102848-54-4"}}, 
   {210.1249, 11.457354, "Meta"} -> {{48934, 40526, 49778}, 
     {"Jasmonic acid [ C12 H18 O3, db=81.52, overall=40.76, Lipid \
ID=LMFA02020001, KEGG ID= ]", ""}}, {342.2878, 11.461249, "Meta"} -> 
    {{33407, 42486, 35794}, {"", ""}}, {367.1506, 11.475408, "Meta"} -> 
    {{83060, 87883, 83574}, 
     {"Asp His Pro [ C15 H21 N5 O6, db=71.89, overall=35.95 ]", ""}}, 
   {285.1362, 11.475694, "Meta"} -> {{1100528, 1020561, 970620}, 
     {"Morphine [ C17 H19 N O3, db=98.62, overall=49.31, KEGG ID=C01516, CAS \
ID=57-27-2 ]", "57-27-2"}}, {528.1969, 11.478286, "Meta"} -> 
    {{40336, 42162, 35894}, {"", ""}}, {460.2096, 11.476846, "Meta"} -> 
    {{25428, 24656, 23231}, 
     {"Trp Gln Gln [ C21 H28 N6 O6, db=60.46, overall=30.23 ]", ""}}, 
   {311.2457, 11.484715, "Meta"} -> {{319392, 221583, 278593}, {"", ""}}, 
   {347.2489, 11.499638, "Meta"} -> {{62177, 61106, 59493}, {"", ""}}, 
   {356.2318, 11.490559, "Meta"} -> {{16408, 1, 1}, 
     {"Estradiol valerate [ C23 H32 O3, db=40.90, overall=20.45, Lipid \
ID=LMST02010039, KEGG ID=C12859 ]", ""}}, {344.1596, 11.518447, "Meta"} -> 
    {{140711, 1, 156285}, {"16-Hydroxy-4-carboxyretinoic acid [ C20 H24 O5, \
db=62.38, overall=31.19, KEGG ID=, CAS ID=99665-36-8 ]", "99665-36-8"}}, 
   {414.204, 11.526778, "Meta"} -> {{76198, 24090, 81976}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=76.96, overall=38.48 ]", ""}}, 
   {413.2931, 11.527801, "Meta"} -> {{1, 36414, 32757}, {"", ""}}, 
   {449.3137, 11.528334, "Meta"} -> {{82309, 74373, 74982}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=91.01, overall=45.51, HMP \
ID=HMDB00708, KEGG ID= ]", ""}}, {431.3032, 11.527909, "Meta"} -> 
    {{88552, 77644, 79930}, {"", ""}}, {250.1557, 11.546168, "Meta"} -> 
    {{1, 21491, 1}, {"Gemfibrozil [ C15 H22 O3, db=55.73, overall=27.87, KEGG \
ID=, CAS ID=25812-30-0 ]", "25812-30-0"}}, {632.2483, 11.548585, "Meta"} -> 
    {{591261, 731395, 987870}, {"", ""}}, {441.3298, 11.567675, "Meta"} -> 
    {{124572, 103942, 113854}, {"", ""}}, {424.3029, 11.567376, "Meta"} -> 
    {{146913, 186517, 177651}, {"2alpha-Fluoro-19-nor-22-oxa-1alpha,25-dihydr\
oxyvitamin D3 [ C25 H41 F O4, db=58.90, overall=29.45, Lipid ID=LMST03020616, \
KEGG ID= ]", ""}}, {488.2383, 11.5761385, "Meta"} -> 
    {{24674, 24015, 20956}, {"", ""}}, {329.2389, 11.608471, "Meta"} -> 
    {{1232535, 1352028, 1362326}, {"", ""}}, {280.165, 11.619699, "Meta"} -> 
    {{1, 271505, 230346}, {"", ""}}, {386.1862, 11.624001, "Meta"} -> 
    {{31791, 21691, 25541}, {"", ""}}, {386.2455, 11.630222, "Meta"} -> 
    {{188927, 159360, 166200}, {"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic \
Acid [ C24 H34 O4, db=85.79, overall=42.90, Lipid ID=, KEGG ID= ]", ""}}, 
   {598.2424, 11.630831, "Meta"} -> {{48307, 54044, 50157}, {"", ""}}, 
   {735.4978, 11.632807, "Meta"} -> {{122280, 87079, 103009}, 
     {"Dipalmitoylphosphatidylserine [ C38 H74 N O10 P, db=54.29, \
overall=27.15, HMP ID=HMDB00614, KEGG ID= ]", ""}}, 
   {370.3555, 11.634998, "Meta"} -> {{41866, 48525, 45727}, {"", ""}}, 
   {468.2595, 11.6322565, "Meta"} -> {{45824, 50731, 49583}, {"", ""}}, 
   {740.4531, 11.631467, "Meta"} -> {{1, 122280, 1}, {"", ""}}, 
   {477.1897, 11.660638, "Meta"} -> {{93703, 63997, 109707}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=85.23, overall=42.62, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {582.2477, 11.661, "Meta"} -> 
    {{15047, 26865, 22119}, {"Biliverdin IX [ C33 H34 N4 O6, db=87.31, \
overall=43.66, HMP ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", 
      " 114-25-0"}}, {354.2379, 11.661621, "Meta"} -> 
    {{1, 26225, 14653}, {"13,14-dihydro-15-keto-PGF2alpha [ C20 H34 O5, \
db=42.26, overall=21.13, Lipid ID=LMFA03010027, KEGG ID= ]", ""}}, 
   {520.2644, 11.689971, "Meta"} -> {{42006, 36618, 72679}, 
     {"Medroxyprogesterone glucuronide [ C28 H40 O9, db=48.42, overall=24.21, \
KEGG ID=, CAS ID= ]", ""}}, {485.356, 11.693, "Meta"} -> 
    {{122960, 100688, 112030}, {"", ""}}, {240.1703, 11.670438, "Meta"} -> 
    {{162208, 68471, 131656}, {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic \
acid [ C14 H24 O3, db=65.39, overall=32.69, Lipid ID=, KEGG ID= ]", ""}}, 
   {439.2696, 11.698639, "Meta"} -> {{75146, 48887, 53231}, 
     {"GPA(17:1(9Z)/0:0) [ C20 H42 N O7 P, db=58.14, overall=29.07, Lipid \
ID=LMGP10050002, KEGG ID= ]", ""}}, {414.2039, 11.722752, "Meta"} -> 
    {{178783, 118861, 201245}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=70.02, overall=35.01 ]", ""}}, 
   {522.2801, 11.738907, "Meta"} -> {{32822, 37088, 1}, {"", ""}}, 
   {262.1541, 11.742794, "Meta"} -> {{24202, 25295, 24705}, {"", ""}}, 
   {272.2133, 11.744, "Meta"} -> {{65808, 53064, 52926}, {"", ""}}, 
   {588.2251, 11.747442, "Meta"} -> {{33367, 40604, 36237}, {"", ""}}, 
   {528.1907, 11.747131, "Meta"} -> {{18530, 21054, 21147}, {"", ""}}, 
   {371.3033, 11.768027, "Meta"} -> {{339922, 238708, 270478}, {"", ""}}, 
   {590.3101, 11.752577, "Meta"} -> {{63202, 69111, 59501}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=61.46, overall=30.73, HMP \
ID=HMDB04158, KEGG ID= ]", ""}}, {417.1435, 11.795814, "Meta"} -> 
    {{17194, 1, 1}, {"Mefenamic acid Metabolite (b-D-Glucopyranuronic acid, \
1-[2-[(2,3-dimethylphenyl)amino]benzoate]) [ C21 H23 N O8, db=50.07, \
overall=25.03, KEGG ID=, CAS ID=102623-18-7 ]", "102623-18-7"}}, 
   {282.1151, 11.797542, "Meta"} -> {{53481, 49947, 45583}, {"", ""}}, 
   {342.145, 11.797485, "Meta"} -> {{52396, 43884, 43909}, {"", ""}}, 
   {184.146, 11.798257, "Meta"} -> {{159389, 1, 146032}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=82.08, overall=41.04, Lipid ID=, \
KEGG ID= ]", ""}}, {373.2647, 11.811193, "Meta"} -> 
    {{82811, 74918, 73234}, {"", ""}}, {299.2823, 11.815419, "Meta"} -> 
    {{66681, 58935, 71559}, {"3-Dehydrosphinganine [ C18 H37 N O2, db=94.66, \
overall=47.33, KEGG ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {251.2249, 11.800002, "Meta"} -> {{103848, 97271, 94481}, {"", ""}}, 
   {534.3375, 11.806134, "Meta"} -> {{111655, 1, 1}, {"", ""}}, 
   {465.3086, 11.805584, "Meta"} -> {{531811, 504524, 501922}, 
     {"Cholylglycine [ C26 H43 N O6, db=97.59, overall=48.80, KEGG ID=, CAS \
ID=475-31-0 ]", "475-31-0"}}, {429.2878, 11.80568, "Meta"} -> 
    {{21864, 1, 16359}, {"", ""}}, {529.3823, 11.806334, "Meta"} -> 
    {{88518, 88467, 91124}, {"", ""}}, {518.2228, 11.805154, "Meta"} -> 
    {{16476, 14503, 13895}, {"26,26,26,27,27,27-hexafluoro-1alpha,25-dihydrox\
y-16,17,23,23,24,24-hexadehydrovitamin D3 / 26,26,26, [ C27 H32 F6 O3, \
db=61.57, overall=30.78, Lipid ID=LMST03020078, KEGG ID= ]", ""}}, 
   {585.3523, 11.805889, "Meta"} -> {{1, 12945, 14252}, {"", ""}}, 
   {521.2284, 11.805668, "Meta"} -> {{19604, 15168, 1}, {"", ""}}, 
   {414.204, 11.809854, "Meta"} -> {{132973, 93264, 1}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=78.79, overall=39.40 ]", ""}}, 
   {431.2309, 11.812069, "Meta"} -> {{49745, 31701, 1}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=56.36, overall=28.18 ]", ""}}, 
   {218.1664, 11.82626, "Meta"} -> {{26127, 1, 25229}, 
     {"6,8,10,12-pentadecatetraenal [ C15 H22 O, db=57.54, overall=28.77, \
Lipid ID=, KEGG ID= ]", ""}}, {270.1153, 11.829969, "Meta"} -> 
    {{102304, 81256, 76750}, {"chloroprocaine [ C13 H19 Cl N2 O2, db=55.52, \
overall=27.76, KEGG ID=, CAS ID= ]", ""}}, {330.1401, 11.829573, "Meta"} -> 
    {{115079, 86220, 94746}, {"Desmethyl methotrimeprazine 5-sulfoxide [ C18 \
H22 N2 O2 S, db=85.40, overall=42.70, KEGG ID=, CAS ID=16808-77-8 ]", 
      "16808-77-8"}}, {172.146, 11.8296385, "Meta"} -> 
    {{240812, 149891, 192470}, {"3-methyl-nonanoic acid [ C10 H20 O2, \
db=89.90, overall=44.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {186.1616, 11.829715, "Meta"} -> {{117270, 110239, 115465}, 
     {"Undecylic acid [ C11 H22 O2, db=83.39, overall=41.70, KEGG ID=, CAS \
ID= ]", ""}}, {431.3031, 11.831061, "Meta"} -> {{51615, 51234, 44081}, 
     {"", ""}}, {471.2956, 11.832395, "Meta"} -> {{39660, 32770, 29206}, 
     {"", ""}}, {308.1988, 11.834726, "Meta"} -> {{48856, 27364, 48615}, 
     {"", ""}}, {355.2544, 11.8503895, "Meta"} -> {{348328, 377387, 374250}, 
     {"", ""}}, {346.1188, 11.835636, "Meta"} -> {{37753, 39767, 34043}, 
     {"Nifedipine [ C17 H18 N2 O6, db=50.63, overall=25.31, KEGG ID=C07266, \
CAS ID=21829-25-4 ]", "21829-25-4"}}, {276.1724, 11.846942, "Meta"} -> 
    {{175627, 145730, 162944}, {"cyclandelate [ C17 H24 O3, db=63.51, \
overall=31.75, KEGG ID=, CAS ID=456-59-7 ]", "456-59-7"}}, 
   {369.197, 11.842227, "Meta"} -> {{39593, 40716, 40437}, {"", ""}}, 
   {588.2903, 11.855272, "Meta"} -> {{41037, 22143, 25597}, {"", ""}}, 
   {330.1805, 11.858284, "Meta"} -> {{436985, 292899, 351948}, 
     {"16-Hydroxy-4-oxoretinoic acid [ C20 H26 O4, db=78.37, overall=39.19, \
KEGG ID=, CAS ID=107257-23-8 ]", "107257-23-8"}}, 
   {252.1358, 11.86086, "Meta"} -> {{76880, 53819, 65162}, {"", ""}}, 
   {290.1884, 11.862444, "Meta"} -> {{242949, 150252, 245682}, 
     {"8-hydroxy-17-octadecene-9,11-diynoic acid [ C18 H26 O3, db=62.31, \
overall=31.16, Lipid ID=, KEGG ID= ]", ""}}, {351.2187, 11.864862, "Meta"} -> 
    {{1, 167410, 106335}, {"", ""}}, {592.3258, 11.793964, "Meta"} -> 
    {{379205, 409023, 320117}, {"", ""}}, {309.2302, 11.861514, "Meta"} -> 
    {{90924, 507925, 323232}, {"", ""}}, {447.2981, 11.879917, "Meta"} -> 
    {{367260, 310389, 318244}, {"", ""}}, {511.3273, 11.884157, "Meta"} -> 
    {{611967, 241416, 327184}, {"", ""}}, {280.1649, 11.8923235, "Meta"} -> 
    {{47967, 80826, 61605}, {"", ""}}, {705.4871, 11.893938, "Meta"} -> 
    {{99603, 104320, 114487}, {"", ""}}, {291.2176, 11.896868, "Meta"} -> 
    {{293540, 325136, 182782}, {"Penbutolol [ C18 H29 N O2, db=57.95, \
overall=28.98, KEGG ID=C07416, CAS ID=38363-40-5 ]", "38363-40-5"}}, 
   {688.4606, 11.89371, "Meta"} -> {{171106, 161688, 168269}, {"", ""}}, 
   {267.2197, 11.913969, "Meta"} -> {{685901, 655212, 609005}, {"", ""}}, 
   {394.2926, 11.915362, "Meta"} -> {{187207, 177720, 183135}, {"", ""}}, 
   {251.2248, 11.917944, "Meta"} -> {{261014, 259196, 253295}, {"", ""}}, 
   {411.3194, 11.915528, "Meta"} -> {{82548, 89360, 93501}, {"", ""}}, 
   {256.219, 11.924389, "Meta"} -> {{56323, 73231, 68597}, {"", ""}}, 
   {610.2709, 11.924807, "Meta"} -> {{30966, 26822, 1}, {"", ""}}, 
   {534.281, 11.92525, "Meta"} -> {{76451, 67801, 72125}, {"", ""}}, 
   {451.3145, 11.934751, "Meta"} -> {{29588, 24874, 29180}, {"", ""}}, 
   {224.1408, 11.931854, "Meta"} -> {{49613, 43214, 42816}, 
     {"Methyl jasmonate [ C13 H20 O3, db=49.28, overall=24.64, KEGG \
ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {456.2698, 11.934423, "Meta"} -> {{62447, 39296, 1}, {"", ""}}, 
   {572.3308, 11.924665, "Meta"} -> {{16379, 15559, 20110}, {"", ""}}, 
   {428.2149, 11.942999, "Meta"} -> {{39470, 28914, 1}, {"", ""}}, 
   {315.2772, 11.940305, "Meta"} -> {{1700933, 1605571, 1528251}, {"", ""}}, 
   {413.2462, 11.94091, "Meta"} -> {{73971, 63156, 67764}, {"", ""}}, 
   {297.2667, 11.941416, "Meta"} -> {{118747, 117847, 113335}, 
     {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ C18 H35 N O2, db=86.94, \
overall=43.47, KEGG ID=, CAS ID= ]", ""}}, {341.2728, 11.941767, "Meta"} -> 
    {{24542, 24627, 19207}, {"", ""}}, {314.0917, 11.9444475, "Meta"} -> 
    {{331297, 60006, 250105}, {"", ""}}, {261.1217, 11.955101, "Meta"} -> 
    {{238176, 1, 81416}, {"", ""}}, {379.2542, 11.973425, "Meta"} -> 
    {{46833, 69079, 49377}, {"", ""}}, {594.3415, 11.96689, "Meta"} -> 
    {{549037, 497568, 489572}, {"L-Urobilin [ C33 H46 N4 O6, db=74.87, \
overall=37.44, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {255.2196, 11.968827, "Meta"} -> {{65417, 52133, 65717}, {"", ""}}, 
   {414.2043, 11.974148, "Meta"} -> {{83922, 67945, 80551}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=62.51, overall=31.26 ]", ""}}, 
   {312.2301, 11.973156, "Meta"} -> {{90364, 105702, 77991}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=65.73, \
overall=32.86, Lipid ID=, KEGG ID= ]", ""}}, {328.2254, 11.979709, "Meta"} -> 
    {{69317, 44378, 70579}, {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ \
C18 H32 O5, db=55.40, overall=27.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {196.1461, 11.97807, "Meta"} -> {{1, 1, 1}, {"4-dodecynoic acid [ C12 H20 \
O2, db=60.16, overall=30.08, Lipid ID=, KEGG ID= ]", ""}}, 
   {754.4684, 11.973702, "Meta"} -> {{75566, 130708, 131321}, {"", ""}}, 
   {749.5135, 11.97703, "Meta"} -> {{106358, 106798, 106686}, {"", ""}}, 
   {324.1915, 11.994925, "Meta"} -> {{1, 1, 1}, {"12-oxo-14,18-dihydroxy-9Z,1\
3E,15Z-octadecatrienoic acid [ C18 H28 O5, db=57.41, overall=28.70, Lipid \
ID=, KEGG ID= ]", ""}}, {309.23, 11.97869, "Meta"} -> 
    {{125185, 93232, 124125}, {"", ""}}, {301.1142, 11.992531, "Meta"} -> 
    {{1, 102777, 102763}, {"", ""}}, {331.2543, 12.023166, "Meta"} -> 
    {{613863, 597593, 590106}, {"", ""}}, {455.3454, 12.01464, "Meta"} -> 
    {{138724, 139535, 145256}, {"", ""}}, {438.3189, 12.015082, "Meta"} -> 
    {{222536, 236300, 222006}, {"", ""}}, {358.2328, 12.025667, "Meta"} -> 
    {{228095, 44476, 1072674}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=96.96, overall=48.48 ]", ""}}, 
   {311.152, 12.032904, "Meta"} -> {{64727, 58722, 56200}, {"", ""}}, 
   {353.2775, 12.026425, "Meta"} -> {{190197, 1, 974129}, {"", ""}}, 
   {385.3189, 12.040938, "Meta"} -> {{67479, 59351, 62528}, {"", ""}}, 
   {397.3187, 12.041324, "Meta"} -> {{314311, 206699, 248099}, {"", ""}}, 
   {798.4948, 12.054034, "Meta"} -> {{1, 114937, 110470}, {"", ""}}, 
   {793.5397, 12.054131, "Meta"} -> {{96003, 89679, 101889}, {"", ""}}, 
   {590.3062, 12.072692, "Meta"} -> {{19287, 22774, 25386}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=57.10, overall=28.55, HMP \
ID=HMDB04158, KEGG ID= ]", ""}}, {326.0038, 12.075236, "Meta"} -> 
    {{118297, 25560, 158357}, {"", ""}}, {236.1403, 12.083773, "Meta"} -> 
    {{70133, 56717, 44615}, {"", ""}}, {252.1866, 12.082345, "Meta"} -> 
    {{40556, 40721, 40677}, {"", ""}}, {586.209, 12.083833, "Meta"} -> 
    {{149834, 184937, 163284}, {"", ""}}, {350.155, 12.082278, "Meta"} -> 
    {{84004, 82231, 84283}, {"", ""}}, {526.1727, 12.085113, "Meta"} -> 
    {{150530, 149935, 144701}, {"", ""}}, {466.1347, 12.082086, "Meta"} -> 
    {{146735, 121441, 115613}, {"", ""}}, {270.1981, 12.084306, "Meta"} -> 
    {{369177, 307695, 295975}, {"", ""}}, {412.1294, 12.085416, "Meta"} -> 
    {{126147, 113451, 117064}, {"", ""}}, {368.1654, 12.082582, "Meta"} -> 
    {{114854, 109958, 112025}, {"Testosterone sulfate [ C19 H28 O5 S, \
db=92.27, overall=46.13, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {498.1664, 12.083362, "Meta"} -> {{51717, 29153, 42200}, {"", ""}}, 
   {616.2339, 12.084806, "Meta"} -> {{92387, 78013, 73600}, {"", ""}}, 
   {243.2196, 12.102666, "Meta"} -> {{69553, 59400, 44687}, 
     {"2-amino-tetradecanoic acid [ C14 H29 N O2, db=84.12, overall=42.06, \
Lipid ID=, KEGG ID= ]", ""}}, {482.3452, 12.104295, "Meta"} -> 
    {{230816, 231630, 224249}, {"", ""}}, {234.1617, 12.111666, "Meta"} -> 
    {{66728, 48421, 55987}, {"", ""}}, {248.1769, 12.122094, "Meta"} -> 
    {{70927, 69783, 59180}, {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, \
db=79.54, overall=39.77, Lipid ID=, KEGG ID= ]", ""}}, 
   {291.2195, 12.120156, "Meta"} -> {{90687, 69752, 1}, 
     {"Penbutolol [ C18 H29 N O2, db=68.40, overall=34.20, KEGG ID=C07416, \
CAS ID=38363-40-5 ]", "38363-40-5"}}, {837.5658, 12.128968, "Meta"} -> 
    {{72284, 81755, 82046}, {"", ""}}, {342.1837, 12.136654, "Meta"} -> 
    {{25369, 22521, 18067}, {"Acitretin Ro 23-4750 [ C21 H26 O4, db=77.85, \
overall=38.93, KEGG ID=, CAS ID=121785-73-7 ]", "121785-73-7"}}, 
   {264.1359, 12.146778, "Meta"} -> {{535954, 542739, 513008}, {"", ""}}, 
   {222.1252, 12.146971, "Meta"} -> {{74089, 70053, 68191}, 
     {"Hydroxyibuprofen [ C13 H18 O3, db=74.22, overall=37.11, KEGG ID=, CAS \
ID=51146-55-5 ]", "51146-55-5"}}, {296.1624, 12.147417, "Meta"} -> 
    {{95064, 107965, 91246}, {"Lactone of PGF-MUM [ C16 H24 O5, db=79.76, \
overall=39.88, KEGG ID=, CAS ID= ]", ""}}, {282.1466, 12.147778, "Meta"} -> 
    {{823356, 823109, 832906}, {"Artemisinin [ C15 H22 O5, db=99.12, \
overall=49.56, KEGG ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {341.2723, 12.151607, "Meta"} -> {{1, 21998, 1}, {"", ""}}, 
   {380.1164, 12.147638, "Meta"} -> {{36105, 41612, 41649}, 
     {"Cys Gln Met [ C13 H24 N4 O5 S2, db=68.35, overall=34.18 ]", ""}}, 
   {306.1804, 12.177001, "Meta"} -> {{91405, 86884, 1}, 
     {"Tetranor Iloprost [ C18 H26 O4, db=63.70, overall=31.85, KEGG ID=, CAS \
ID=93220-69-0 ]", "93220-69-0"}}, {402.1937, 12.148144, "Meta"} -> 
    {{47612, 50542, 65766}, 
     {"Pro Trp Thr [ C20 H26 N4 O5, db=72.34, overall=36.17 ]", ""}}, 
   {297.2667, 12.156, "Meta"} -> {{67757, 1, 65810}, 
     {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ C18 H35 N O2, db=77.59, \
overall=38.79, KEGG ID=, CAS ID= ]", ""}}, {315.2772, 12.155445, "Meta"} -> 
    {{1230568, 1150027, 1149720}, {"", ""}}, {413.2455, 12.157277, "Meta"} -> 
    {{1, 51783, 51982}, {"", ""}}, {313.2615, 12.160829, "Meta"} -> 
    {{242022, 116391, 241474}, {"", ""}}, {311.1518, 12.180069, "Meta"} -> 
    {{40618, 33344, 28890}, {"", ""}}, {299.9847, 12.185141, "Meta"} -> 
    {{1641381, 1378617, 1971344}, {"", ""}}, 
   {318.1804, 12.2324295, "Meta"} -> {{23323, 18753, 39887}, 
     {"Ubiquinone (Q2) [ C19 H26 O4, db=42.47, overall=21.23, KEGG ID=, CAS \
ID=606-06-4 ]", "606-06-4"}}, {606.2023, 12.187666, "Meta"} -> 
    {{119386, 107828, 102362}, {"", ""}}, {462.2252, 12.1875, "Meta"} -> 
    {{456955, 438739, 445960}, {"Hydrocortisone succinate [ C25 H34 O8, \
db=96.63, overall=48.31, Lipid ID=LMST02030126, KEGG ID=C12888 ]", ""}}, 
   {525.2572, 12.187778, "Meta"} -> {{230448, 220958, 222115}, {"", ""}}, 
   {568.2631, 12.187808, "Meta"} -> {{57623, 62667, 62023}, {"", ""}}, 
   {621.1704, 12.188378, "Meta"} -> {{37836, 32745, 23093}, {"", ""}}, 
   {530.2126, 12.187939, "Meta"} -> {{541909, 461616, 1}, 
     {"Trp Tyr Tyr [ C29 H30 N4 O6, db=72.13, overall=36.06 ]", ""}}, 
   {377.2329, 12.190221, "Meta"} -> {{228320, 189575, 211185}, 
     {"Val Leu Phe [ C20 H31 N3 O4, db=88.80, overall=44.40 ]", ""}}, 
   {628.2743, 12.1870985, "Meta"} -> {{26597, 25605, 24499}, {"", ""}}, 
   {420.2121, 12.200396, "Meta"} -> {{1, 33991, 30593}, {"", ""}}, 
   {228.1723, 12.197486, "Meta"} -> {{1, 26582, 27338}, 
     {"10-keto tridecanoic acid [ C13 H24 O3, db=61.20, overall=30.60, Lipid \
ID=LMFA01060042, KEGG ID= ]", ""}}, {372.191, 12.199401, "Meta"} -> 
    {{43245, 44560, 48386}, {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=56.89, \
overall=28.44, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {357.2698, 12.228862, "Meta"} -> {{900858, 898069, 901465}, {"", ""}}, 
   {199.1932, 12.220861, "Meta"} -> {{625757, 539156, 576485}, 
     {"dodecanamide [ C12 H25 N O, db=98.45, overall=49.22, Lipid ID=, KEGG \
ID= ]", ""}}, {259.2255, 12.222748, "Meta"} -> {{96422, 136759, 96011}, 
     {"", ""}}, {269.235, 12.2237425, "Meta"} -> {{90264, 75963, 81721}, 
     {"", ""}}, {719.5028, 12.228621, "Meta"} -> {{68876, 71181, 78895}, 
     {"", ""}}, {664.2384, 12.227905, "Meta"} -> {{45436, 39857, 52663}, 
     {"", ""}}, {248.1768, 12.233333, "Meta"} -> {{30060, 19892, 19571}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=72.21, \
overall=36.10, Lipid ID=, KEGG ID= ]", ""}}, {284.1987, 12.237692, "Meta"} -> 
    {{33058, 1, 85830}, {"", ""}}, {262.1929, 12.242998, "Meta"} -> 
    {{103934, 92560, 93101}, {"5,8-heptadecadiynoic acid [ C17 H26 O2, \
db=98.55, overall=49.28, Lipid ID=, KEGG ID= ]", ""}}, 
   {533.3115, 12.239881, "Meta"} -> {{147525, 88836, 98936}, {"", ""}}, 
   {302.1855, 12.243556, "Meta"} -> {{102826, 82400, 84599}, 
     {"2-Methoxyestradiol [ C19 H26 O3, db=76.71, overall=38.36, HMP \
ID=HMDB00405, KEGG ID= ]", ""}}, {436.1856, 12.235857, "Meta"} -> 
    {{1, 47520, 66698}, {"", ""}}, {596.3558, 12.249497, "Meta"} -> 
    {{30978, 30241, 32266}, {"", ""}}, {242.188, 12.252134, "Meta"} -> 
    {{80691, 72986, 70976}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
db=63.43, overall=31.71, Lipid ID=, KEGG ID= ]", ""}}, 
   {614.3666, 12.251577, "Meta"} -> {{11292, 59132, 57265}, {"", ""}}, 
   {512.1788, 12.245139, "Meta"} -> {{26249, 19937, 20411}, 
     {"10S,11R-epoxy-punaglandin 3 [ C25 H33 Cl O9, db=53.22, overall=26.61, \
Lipid ID=LMFA03120039, KEGG ID= ]", ""}}, {376.1882, 12.266801, "Meta"} -> 
    {{93583, 116280, 87445}, 
     {"Arg Val Cys [ C14 H28 N6 O4 S, db=75.82, overall=37.91 ]", ""}}, 
   {580.2321, 12.270332, "Meta"} -> {{214020, 170275, 200910}, {"", ""}}, 
   {630.2687, 12.26936, "Meta"} -> {{177073, 138762, 125884}, {"", ""}}, 
   {612.2583, 12.2699175, "Meta"} -> {{125453, 95493, 125962}, {"", ""}}, 
   {672.2793, 12.270498, "Meta"} -> {{95543, 81052, 89556}, {"", ""}}, 
   {658.2637, 12.2717495, "Meta"} -> {{35199, 27702, 31188}, {"", ""}}, 
   {644.2843, 12.27025, "Meta"} -> {{309930, 253069, 270038}, {"", ""}}, 
   {298.2154, 12.269302, "Meta"} -> {{42255, 57522, 1}, 
     {"8E-Heptadecenedioic acid [ C17 H30 O4, db=61.18, overall=30.59, Lipid \
ID=, KEGG ID= ]", ""}}, {336.1262, 12.278805, "Meta"} -> 
    {{42209, 31505, 36073}, {"", ""}}, {238.1567, 12.281195, "Meta"} -> 
    {{662041, 578738, 589961}, {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 \
H22 O3, db=97.15, overall=48.57, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {423.3348, 12.288555, "Meta"} -> {{1104662, 772943, 907162}, {"", ""}}, 
   {311.2457, 12.286498, "Meta"} -> {{422032, 407460, 543023}, {"", ""}}, 
   {374.2429, 12.298686, "Meta"} -> {{58877, 59233, 1}, 
     {"Digitoxigenin [ C23 H34 O4, db=53.68, overall=26.84, KEGG ID=, CAS \
ID=143-62-4 ]", "143-62-4"}}, {477.1899, 12.302515, "Meta"} -> 
    {{30078, 1, 33088}, {"3,5-Pyridinedicarboxylic acid, \
2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino] [ C26 \
H27 N3 O6, db=59.31, overall=29.66, KEGG ID=, CAS ID=59875-58-0 ]", 
      "59875-58-0"}}, {768.4842, 12.295834, "Meta"} -> 
    {{1, 107244, 1}, {"", ""}}, {369.2874, 12.299877, "Meta"} -> 
    {{44912, 1, 1}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, db=64.19, \
overall=32.09, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {763.5288, 12.296454, "Meta"} -> {{83221, 84016, 95992}, {"", ""}}, 
   {314.1884, 12.299144, "Meta"} -> {{1, 50663, 47302}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=70.86, overall=35.43, KEGG ID=, \
CAS ID=38030-57-8 ]", "38030-57-8"}}, {271.2523, 12.302779, "Meta"} -> 
    {{142508, 1, 144029}, {"2R-aminohexadecanoic acid [ C16 H33 N O2, \
db=52.07, overall=26.04, Lipid ID=, KEGG ID= ]", ""}}, 
   {625.346, 12.299999, "Meta"} -> {{282595, 254329, 261127}, 
     {"Glycochenodeoxycholic acid 3-glucuronide [ C32 H51 N O11, db=99.35, \
overall=49.68, HMP ID=HMDB02579, KEGG ID= ]", ""}}, 
   {342.1463, 12.310115, "Meta"} -> {{37528, 51074, 1}, {"", ""}}, 
   {663.2926, 12.299033, "Meta"} -> {{29304, 28137, 24414}, {"", ""}}, 
   {372.2661, 12.3107815, "Meta"} -> {{32654, 40170, 1}, 
     {"(22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid [ C24 H36 O3, db=66.95, \
overall=33.48, Lipid ID=, KEGG ID= ]", ""}}, {329.2566, 12.319615, "Meta"} -> 
    {{1, 23063, 1}, {"", ""}}, {265.2404, 12.332487, "Meta"} -> 
    {{65274, 65479, 57931}, {"", ""}}, {305.2328, 12.322701, "Meta"} -> 
    {{40871, 37662, 1}, {"", ""}}, {230.1879, 12.337853, "Meta"} -> 
    {{77380, 1, 100007}, {"4-hydroxy-tridecanoic acid [ C13 H26 O3, db=63.86, \
overall=31.93, Lipid ID=, KEGG ID= ]", ""}}, {631.4503, 12.339085, "Meta"} -> 
    {{1, 109878, 121263}, {"", ""}}, {312.1359, 12.347117, "Meta"} -> 
    {{69232, 1857067, 66519}, {"", ""}}, {388.2607, 12.350721, "Meta"} -> 
    {{70844, 36084, 51164}, {"7,12-Dioxo-5beta-cholan-24-oic Acid [ C24 H36 \
O4, db=77.22, overall=38.61, Lipid ID=, KEGG ID= ]", ""}}, 
   {328.2249, 12.339256, "Meta"} -> {{233436, 221266, 1}, 
     {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 H32 O5, db=76.40, \
overall=38.20, Lipid ID=, KEGG ID= ]", ""}}, {425.3361, 12.35692, "Meta"} -> 
    {{1, 94401, 71565}, {"", ""}}, {408.3088, 12.36271, "Meta"} -> 
    {{104615, 110370, 100515}, {"", ""}}, {281.2354, 12.3655615, "Meta"} -> 
    {{1, 159331, 166011}, {"", ""}}, {360.1656, 12.382274, "Meta"} -> 
    {{80579, 1, 72008}, 
     {"Leu Asn Asp [ C14 H24 N4 O7, db=77.19, overall=38.60 ]", ""}}, 
   {338.2439, 12.380382, "Meta"} -> {{100832, 92653, 81625}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=74.85, overall=37.42, KEGG ID=, \
CAS ID= ]", ""}}, {436.1472, 12.383839, "Meta"} -> 
    {{72384, 41619, 1}, {"", ""}}, {376.1198, 12.386286, "Meta"} -> 
    {{87170, 53523, 55116}, 
     {"Asp Asn Glu [ C13 H20 N4 O9, db=55.52, overall=27.76 ]", ""}}, 
   {278.1519, 12.387778, "Meta"} -> {{6155598, 3867589, 4047637}, {"", ""}}, 
   {148.0158, 12.3895, "Meta"} -> {{611495, 504374, 427051}, {"", ""}}, 
   {204.0784, 12.3909445, "Meta"} -> {{378709, 345143, 259619}, {"", ""}}, 
   {396.2873, 12.403235, "Meta"} -> {{148758, 142314, 131663}, 
     {"PGF2alpha isopropyl ester [ C23 H40 O5, db=87.08, overall=43.54, Lipid \
ID=LMFA03010076, KEGG ID= ]", ""}}, {276.17, 12.37928, "Meta"} -> 
    {{17116, 1, 1}, {"cyclandelate [ C17 H24 O3, db=51.06, overall=25.53, \
KEGG ID=, CAS ID=456-59-7 ]", "456-59-7"}}, {607.326, 12.407581, "Meta"} -> 
    {{1, 51413, 35913}, {"", ""}}, {675.4764, 12.4054, "Meta"} -> 
    {{93255, 93792, 100928}, {"", ""}}, {487.2618, 12.410424, "Meta"} -> 
    {{88032, 71016, 78556}, {"", ""}}, {562.256, 12.410714, "Meta"} -> 
    {{42288, 31921, 32821}, {"Protoporphyrin [ C34 H34 N4 O4, db=79.79, \
overall=39.90, KEGG ID=C01079, CAS ID=553-12-8 ]", "553-12-8"}}, 
   {547.2891, 12.410121, "Meta"} -> {{94377, 94189, 88241}, {"", ""}}, 
   {449.3139, 12.410828, "Meta"} -> {{1032122, 1812161, 1690174}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=99.45, overall=49.73, HMP \
ID=HMDB00708, KEGG ID= ]", ""}}, {505.2336, 12.410571, "Meta"} -> 
    {{40166, 38975, 34036}, {"", ""}}, {431.3035, 12.411553, "Meta"} -> 
    {{912043, 886906, 899451}, {"", ""}}, {413.2934, 12.41158, "Meta"} -> 
    {{362148, 362329, 335567}, {"", ""}}, {491.3008, 12.412041, "Meta"} -> 
    {{77712, 52312, 62030}, {"", ""}}, {1312.7719, 12.4140005, "Meta"} -> 
    {{1, 15051, 15993}, {"", ""}}, {851.5811, 12.417131, "Meta"} -> 
    {{72133, 81869, 91159}, {"C20-OHSulfatide [ C44 H85 N O12 S, db=89.76, \
overall=44.88, Lipid ID=LMSP06020005, KEGG ID= ]", ""}}, 
   {467.301, 12.424151, "Meta"} -> {{1, 673596, 694896}, 
     {"Myristoyl L-a-lysophosphatidylcholine [ C22 H46 N O7 P, db=96.32, \
overall=48.16, KEGG ID=, CAS ID=20559-16-4 ]", "20559-16-4"}}, 
   {469.361, 12.42775, "Meta"} -> {{125570, 149056, 155621}, {"", ""}}, 
   {452.3344, 12.426857, "Meta"} -> {{268278, 272927, 274389}, {"", ""}}, 
   {505.2485, 12.426792, "Meta"} -> {{50718, 37031, 43987}, {"", ""}}, 
   {863.4587, 12.424135, "Meta"} -> {{28827, 27496, 27252}, {"", ""}}, 
   {614.2372, 12.435374, "Meta"} -> {{24051, 22987, 21379}, {"", ""}}, 
   {324.0821, 12.4366255, "Meta"} -> {{901372, 1, 193270}, {"", ""}}, 
   {274.2141, 12.443, "Meta"} -> {{811980, 510064, 696868}, 
     {"2,15-dihydroxy-pentadecylic acid [ C15 H30 O4, db=98.78, \
overall=49.39, Lipid ID=LMFA01050082, KEGG ID= ]", ""}}, 
   {256.2038, 12.44312, "Meta"} -> {{50384, 32269, 43396}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=62.07, overall=31.03, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {352.171, 12.430658, "Meta"} -> 
    {{53536, 48856, 41019}, {"", ""}}, {370.1815, 12.436501, "Meta"} -> 
    {{97657, 58285, 104808}, {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 \
H30 O5 S, db=68.09, overall=34.04, KEGG ID=, CAS ID=977-36-6 ]", 
      "977-36-6"}}, {500.1792, 12.433194, "Meta"} -> 
    {{38464, 30383, 30591}, {"gamma-Hydroxyphenylbutazone glucuronide [ C25 \
H28 N2 O9, db=72.50, overall=36.25, KEGG ID=, CAS ID= ]", ""}}, 
   {588.225, 12.436315, "Meta"} -> {{81595, 91251, 84142}, {"", ""}}, 
   {504.2695, 12.450472, "Meta"} -> {{42194, 1, 37321}, {"", ""}}, 
   {528.189, 12.4353895, "Meta"} -> {{71157, 72359, 66142}, {"", ""}}, 
   {414.1453, 12.441296, "Meta"} -> {{1, 46602, 40336}, {"", ""}}, 
   {270.2135, 12.456722, "Meta"} -> {{258323, 164190, 318234}, {"", ""}}, 
   {292.167, 12.460268, "Meta"} -> {{115789, 102248, 112057}, {"", ""}}, 
   {719.5026, 12.466721, "Meta"} -> {{71502, 68333, 76213}, {"", ""}}, 
   {399.3347, 12.47114, "Meta"} -> {{1970916, 1522491, 1733641}, 
     {"Palmitoylcarnitine [ C23 H45 N O4, db=99.77, overall=49.89, Lipid \
ID=LMFA07070004, KEGG ID=C02990 ]", ""}}, {182.1666, 12.464886, "Meta"} -> 
    {{33452, 30538, 31702}, {"7E,9Z-dodecadien-1-ol [ C12 H22 O, db=80.52, \
overall=40.26, Lipid ID=, KEGG ID= ]", ""}}, {242.1878, 12.468251, "Meta"} -> 
    {{340266, 299328, 311428}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 \
O3, db=62.18, overall=31.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {895.6074, 12.470839, "Meta"} -> {{121356, 80712, 89947}, {"", ""}}, 
   {496.3607, 12.486807, "Meta"} -> {{90866, 214633, 1}, {"", ""}}, 
   {513.3873, 12.487667, "Meta"} -> {{198518, 202213, 201644}, {"", ""}}, 
   {384.1933, 12.488749, "Meta"} -> {{98821, 1, 1}, {"", ""}}, 
   {250.1204, 12.488947, "Meta"} -> {{52516, 27994, 35456}, 
     {"Ubiquinone [ C14 H18 O4, db=74.11, overall=37.06, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {409.3186, 12.504228, "Meta"} -> 
    {{1, 32068, 230401}, {"", ""}}, {374.2808, 12.501667, "Meta"} -> 
    {{89246, 76041, 72262}, {"3beta-Hydroxychol-4-en-24-oic Acid [ C24 H38 \
O3, db=92.13, overall=46.07, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2756, 12.501445, "Meta"} -> {{122569, 97438, 95191}, {"", ""}}, 
   {356.2712, 12.505676, "Meta"} -> {{101485, 99393, 159660}, 
     {"4,8,12,15,19,21-tetracosahexaenoic acid [ C24 H36 O2, db=94.78, \
overall=47.39, Lipid ID=, KEGG ID= ]", ""}}, {546.153, 12.509251, "Meta"} -> 
    {{34956, 19944, 21439}, {"", ""}}, {331.2721, 12.510544, "Meta"} -> 
    {{27324, 22320, 22111}, {"", ""}}, {449.314, 12.51639, "Meta"} -> 
    {{2794725, 2641598, 2436675}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, \
db=99.24, overall=49.62, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {562.2545, 12.516361, "Meta"} -> {{47987, 47396, 40833}, 
     {"Protoporphyrin [ C34 H34 N4 O4, db=70.11, overall=35.05, KEGG \
ID=C01079, CAS ID=553-12-8 ]", "553-12-8"}}, {505.2343, 12.514931, "Meta"} -> 
    {{52119, 36474, 1}, {"", ""}}, {487.2613, 12.517092, "Meta"} -> 
    {{116150, 102891, 95104}, {"", ""}}, {942.5912, 12.517724, "Meta"} -> 
    {{102062, 95534, 103653}, {"", ""}}, {391.3102, 12.521373, "Meta"} -> 
    {{95976, 96804, 76852}, {"N,N-(2,2-dihydroxy-ethyl) arachidonoyl amine [ \
C24 H41 N O3, db=41.49, overall=20.74, Lipid ID=LMFA08020028, KEGG ID= ]", 
      ""}}, {768.484, 12.522172, "Meta"} -> {{1, 52488, 53328}, {"", ""}}, 
   {547.2912, 12.518182, "Meta"} -> {{110438, 105614, 97511}, {"", ""}}, 
   {763.5285, 12.522705, "Meta"} -> {{56937, 58545, 58521}, {"", ""}}, 
   {612.2584, 12.528093, "Meta"} -> {{110286, 86389, 76571}, {"", ""}}, 
   {537.3427, 12.543621, "Meta"} -> {{47887, 1, 49778}, 
     {"GPEtn(10:0/11:0)[U] [ C26 H52 N O8 P, db=59.82, overall=29.91, Lipid \
ID=LMGP02010053, KEGG ID= ]", ""}}, {425.2543, 12.535178, "Meta"} -> 
    {{63576, 48205, 48376}, {"GPEtn(14:0/0:0) [ C19 H40 N O7 P, db=66.09, \
overall=33.05, Lipid ID=LMGP02050003, KEGG ID= ]", ""}}, 
   {557.4136, 12.545144, "Meta"} -> {{235052, 236466, 245084}, {"", ""}}, 
   {355.2721, 12.554709, "Meta"} -> {{1, 110808, 1}, {"", ""}}, 
   {225.2089, 12.554222, "Meta"} -> {{913851, 850983, 675505}, {"", ""}}, 
   {650.3645, 12.549894, "Meta"} -> {{57239, 62409, 48359}, 
     {"Digoxigenin bisdigitoxoside [ C35 H54 O11, db=73.18, overall=36.59, \
KEGG ID=, CAS ID=5297-05-2 ]", "5/2/97"}}, {580.2348, 12.5748005, "Meta"} -> 
    {{170233, 95785, 99922}, {"", ""}}, {501.3662, 12.573688, "Meta"} -> 
    {{93584, 91709, 95705}, {"", ""}}, {434.2881, 12.585032, "Meta"} -> 
    {{917370, 14549, 1.93*^7}, {"(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thia\
vitamin D3 3-oxide / (5Z)-(3S)-1alpha,25-dihydroxy-3-deo [ C26 H42 O3 S, \
db=73.08, overall=36.54, Lipid ID=LMST03020052, KEGG ID= ]", ""}}, 
   {467.3008, 12.5836935, "Meta"} -> {{9634895, 6644199, 7389524}, 
     {"Myristoyl L-a-lysophosphatidylcholine [ C22 H46 N O7 P, db=97.87, \
overall=48.94, KEGG ID=, CAS ID=20559-16-4 ]", "20559-16-4"}}, 
   {505.2486, 12.583806, "Meta"} -> {{469346, 368098, 383145}, {"", ""}}, 
   {565.2755, 12.582859, "Meta"} -> {{317181, 275270, 252886}, 
     {" [ C32 H39 N O8, overall=43.39, mfg=86.78 ]", ""}}, 
   {451.3146, 12.585577, "Meta"} -> {{491573, 80713, 8250807}, {"", ""}}, 
   {279.2563, 12.585971, "Meta"} -> {{1084478, 1247963, 1}, {"", ""}}, 
   {319.2485, 12.586908, "Meta"} -> {{994360, 943774, 1}, 
     {"N-hydroxy arachidonoyl amine [ C20 H33 N O2, db=80.38, overall=40.19, \
Lipid ID=LMFA08020029, KEGG ID= ]", ""}}, {625.3125, 12.582887, "Meta"} -> 
    {{45225, 52649, 48306}, {"", ""}}, {499.2697, 12.597638, "Meta"} -> 
    {{1106158, 1074683, 999693}, {"", ""}}, {584.4132, 12.599159, "Meta"} -> 
    {{338893, 328072, 321907}, {"", ""}}, {601.4399, 12.599721, "Meta"} -> 
    {{245736, 251379, 255236}, {"", ""}}, {246.2193, 12.616779, "Meta"} -> 
    {{103775, 97701, 42347}, {"", ""}}, {367.4175, 12.6358, "Meta"} -> 
    {{18978, 19544, 15022}, {"", ""}}, {579.2638, 12.629876, "Meta"} -> 
    {{316689, 273927, 294666}, {"", ""}}, {541.3169, 12.629602, "Meta"} -> 
    {{3512652, 1, 2474475}, {"", ""}}, {639.2913, 12.632768, "Meta"} -> 
    {{88156, 87574, 93722}, 
     {" [ C33 H41 N3 O10, db=0.00, overall=27.22, mfg=54.45 ]", ""}}, 
   {425.3506, 12.640696, "Meta"} -> {{2760779, 2147138, 2402096}, {"", ""}}, 
   {185.1413, 12.638656, "Meta"} -> {{106660, 94503, 84530}, 
     {"N-methyl-Gabapentin [ C10 H19 N O2, db=81.22, overall=40.61, KEGG ID=, \
CAS ID=102937-74-6 ]", "102937-74-6"}}, {285.2666, 12.643584, "Meta"} -> 
    {{29290, 33699, 1}, {"C17 Sphingosine [ C17 H35 N O2, db=57.52, \
overall=28.76, Lipid ID=LMSP01040002, KEGG ID= ]", ""}}, 
   {327.277, 12.625759, "Meta"} -> {{87394, 104912, 96530}, {"", ""}}, 
   {821.5705, 12.638498, "Meta"} -> {{64184, 64650, 73010}, {"", ""}}, 
   {268.24, 12.642863, "Meta"} -> {{77677, 90891, 76867}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=79.16, overall=39.58, Lipid \
ID=LMFA01030060, KEGG ID= ]", ""}}, {545.3922, 12.643999, "Meta"} -> 
    {{83161, 76219, 77478}, {"", ""}}, {302.1891, 12.6535015, "Meta"} -> 
    {{31310, 30178, 20719}, {"2-Methoxyestradiol [ C19 H26 O3, db=65.37, \
overall=32.69, HMP ID=HMDB00405, KEGG ID= ]", ""}}, 
   {650.4213, 12.651346, "Meta"} -> {{247526, 241095, 238438}, {"", ""}}, 
   {645.466, 12.651555, "Meta"} -> {{232094, 234027, 244604}, {"", ""}}, 
   {335.2434, 12.66379, "Meta"} -> {{602606, 599174, 473936}, {"", ""}}, 
   {256.2034, 12.661515, "Meta"} -> {{70474, 103546, 102727}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=61.28, overall=30.64, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {493.3169, 12.66411, "Meta"} -> 
    {{1808292, 1217773, 1375065}, {"", ""}}, {531.2641, 12.663871, "Meta"} -> 
    {{132817, 98304, 104295}, {"", ""}}, {590.3068, 12.671346, "Meta"} -> 
    {{1, 1, 37601}, {"D-Urobilinogen [ C33 H42 N4 O6, db=52.07, \
overall=26.03, HMP ID=HMDB04158, KEGG ID= ]", ""}}, 
   {396.1935, 12.680503, "Meta"} -> {{111678, 61496, 81740}, 
     {"Pregnenolone sulfate [ C21 H32 O5 S, db=36.59, overall=18.29, HMP \
ID=HMDB00774, KEGG ID= ]", ""}}, {632.5102, 12.680666, "Meta"} -> 
    {{1, 91574, 86721}, {"", ""}}, {865.5968, 12.684233, "Meta"} -> 
    {{72319, 74123, 68404}, {"", ""}}, {395.2349, 12.689027, "Meta"} -> 
    {{86783, 88740, 77294}, {"", ""}}, {379.2488, 12.687057, "Meta"} -> 
    {{858990, 888557, 816929}, {"Sphingosine-1-phosphate [ C18 H38 N O5 P, \
db=99.36, overall=49.68, KEGG ID=, CAS ID=26993-30-6 ]", "26993-30-6"}}, 
   {319.2487, 12.687944, "Meta"} -> {{2132040, 2284979, 2538993}, 
     {"N-hydroxy arachidonoyl amine [ C20 H33 N O2, db=82.57, overall=41.29, \
Lipid ID=LMFA08020029, KEGG ID= ]", ""}}, {279.2564, 12.689749, "Meta"} -> 
    {{3249859, 3410946, 4119828}, {"", ""}}, {342.3243, 12.690058, "Meta"} -> 
    {{127843, 103291, 135932}, {"", ""}}, {352.236, 12.696232, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {180.0781, 12.695332, "Meta"} -> 
    {{39517, 55912, 50948}, {"o-Methoxyhydrocinnamic acid [ C10 H12 O3, \
db=82.64, overall=41.32, KEGG ID=, CAS ID= ]", ""}}, 
   {314.1855, 12.695227, "Meta"} -> {{253055, 1, 257126}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=73.03, overall=36.52, KEGG ID=, \
CAS ID=38030-57-8 ]", "38030-57-8"}}, {309.2304, 12.69561, "Meta"} -> 
    {{447401, 552891, 495700}, {"", ""}}, {475.2699, 12.694333, "Meta"} -> 
    {{174120, 137275, 149910}, {"", ""}}, {236.1406, 12.695944, "Meta"} -> 
    {{25082, 40716, 38858}, {"", ""}}, {689.4924, 12.699888, "Meta"} -> 
    {{200757, 201798, 220574}, {"", ""}}, {672.4659, 12.699749, "Meta"} -> 
    {{262390, 265128, 255307}, {"", ""}}, {609.351, 12.6962595, "Meta"} -> 
    {{66384, 102780, 106793}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl [ C32 H51 N O10, \
db=94.76, overall=47.38, HMP ID=HMDB02474, KEGG ID= ]", ""}}, 
   {382.2147, 12.704666, "Meta"} -> {{38250, 24671, 25011}, 
     {"3,12-Dioxochola-1,4,9(11)-trien-24-oic Acid [ C24 H30 O4, db=73.34, \
overall=36.67, Lipid ID=, KEGG ID= ]", ""}}, {589.4187, 12.706942, "Meta"} -> 
    {{55410, 58247, 63153}, {"", ""}}, {307.2718, 12.7117195, "Meta"} -> 
    {{27493, 24366, 1}, {"", ""}}, {270.2192, 12.709618, "Meta"} -> 
    {{143480, 53986, 124896}, {"3-keto palmitic acid [ C16 H30 O3, db=85.03, \
overall=42.52, Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, 
   {537.217, 12.694345, "Meta"} -> {{53416, 47573, 38400}, {"", ""}}, 
   {499.2698, 12.711946, "Meta"} -> {{672833, 530286, 600790}, {"", ""}}, 
   {300.2299, 12.716436, "Meta"} -> {{198497, 229075, 262401}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=79.78, overall=39.89, \
Lipid ID=, KEGG ID= ]", ""}}, {630.4941, 12.715778, "Meta"} -> 
    {{142030, 45404, 32606}, {"", ""}}, {252.2085, 12.716553, "Meta"} -> 
    {{24450, 42796, 43570}, {"2E,4E-hexadecadienoic acid [ C16 H28 O2, \
db=73.15, overall=36.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {914.5783, 12.727905, "Meta"} -> {{86889, 92307, 87222}, {"", ""}}, 
   {280.2014, 12.73493, "Meta"} -> {{1, 34113, 1}, 
     {"12S-HHTrE [ C17 H28 O3, db=42.31, overall=21.16, KEGG ID=, CAS ID= ]", 
      ""}}, {329.2928, 12.71444, "Meta"} -> {{592749, 543346, 693304}, 
     {"", ""}}, {355.2179, 12.744277, "Meta"} -> {{80716, 71743, 78577}, 
     {"p-Hydroxypropoxyphene [ C22 H29 N O3, db=63.66, overall=31.83, KEGG \
ID=, CAS ID=43117-32-4 ]", "43117-32-4"}}, {240.2085, 12.740068, "Meta"} -> 
    {{1, 44483, 38796}, {"2-pentadecenoic acid [ C15 H28 O2, db=72.07, \
overall=36.04, Lipid ID=, KEGG ID= ]", ""}}, {573.2378, 12.738915, "Meta"} -> 
    {{26442, 1, 13360}, {"", ""}}, {874.5164, 12.745845, "Meta"} -> 
    {{81794, 104655, 92427}, {"Ivermectin B1a [ C48 H74 O14, db=21.59, \
overall=10.80, KEGG ID=C07970, CAS ID=71827-03-7 ]", "71827-03-7"}}, 
   {615.29, 12.742728, "Meta"} -> {{1, 64713, 35346}, {"", ""}}, 
   {393.2191, 12.747176, "Meta"} -> {{95106, 90921, 79933}, {"", ""}}, 
   {733.5184, 12.745, "Meta"} -> {{183476, 176704, 179755}, {"", ""}}, 
   {716.4917, 12.745065, "Meta"} -> {{208682, 196766, 1}, {"", ""}}, 
   {517.3169, 12.746193, "Meta"} -> {{3866379, 3195719, 2537259}, 
     {"Linolenoyl lysolecithin [ C26 H48 N O7 P, db=99.00, overall=49.50, \
KEGG ID=, CAS ID=63163-01-9 ]", "63163-01-9"}}, 
   {555.2641, 12.744076, "Meta"} -> {{1, 189494, 206105}, 
     {"Leucine Enkephalin [ C28 H37 N5 O7, db=46.08, overall=23.04, KEGG ID=, \
CAS ID=81678-16-2 ]", "81678-16-2"}}, {1096.581, 12.747542, "Meta"} -> 
    {{240015, 331351, 235517}, {"", ""}}, {1058.6335, 12.748626, "Meta"} -> 
    {{544883, 1472159, 944653}, {"", ""}}, {451.2698, 12.751194, "Meta"} -> 
    {{176357, 179252, 169222}, {"", ""}}, {1104.6042, 12.750401, "Meta"} -> 
    {{206237, 637735, 159756}, {"", ""}}, {594.238, 12.752146, "Meta"} -> 
    {{138359, 127483, 132433}, {"", ""}}, {1661.8961, 12.749751, "Meta"} -> 
    {{231960, 203793, 254453}, {"", ""}}, {295.2514, 12.752306, "Meta"} -> 
    {{8626457, 9910509, 8032689}, {"", ""}}, {646.5257, 12.745705, "Meta"} -> 
    {{43289, 46920, 39660}, {"", ""}}, {654.2522, 12.751028, "Meta"} -> 
    {{184149, 187483, 179509}, {"", ""}}, {541.3161, 12.752888, "Meta"} -> 
    {{2.74*^7, 2.35*^7, 3.06*^7}, {"", ""}}, {597.2377, 12.750058, "Meta"} -> 
    {{207238, 176718, 186240}, {"", ""}}, {579.2647, 12.7531395, "Meta"} -> 
    {{1452827, 1334791, 1354397}, 
     {" [ C32 H39 N2 O8, db=0.00, overall=32.44, mfg=64.87 ]", ""}}, 
   {710.2763, 12.752368, "Meta"} -> {{62172, 60018, 53019}, {"", ""}}, 
   {639.2909, 12.752972, "Meta"} -> {{280391, 309263, 304119}, 
     {" [ C33 H41 N3 O10, db=0.00, overall=34.40, mfg=68.80 ]", ""}}, 
   {563.2865, 12.751833, "Meta"} -> {{104056, 124793, 135664}, {"", ""}}, 
   {278.2243, 12.768029, "Meta"} -> {{206271, 1, 1}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=76.66, overall=38.33, Lipid \
ID=LMFA01030148, KEGG ID= ]", ""}}, {958.6044, 12.764857, "Meta"} -> 
    {{88698, 83973, 69517}, {"", ""}}, {1613.8976, 12.766002, "Meta"} -> 
    {{136884, 107284, 143779}, {"", ""}}, {358.1711, 12.782434, "Meta"} -> 
    {{58722, 45698, 40542}, {"", ""}}, {298.1468, 12.782714, "Meta"} -> 
    {{67823, 57270, 53538}, {"", ""}}, {345.1374, 12.7813015, "Meta"} -> 
    {{34491, 23532, 20925}, {"", ""}}, {200.1773, 12.781779, "Meta"} -> 
    {{151308, 119286, 113535}, {"Lauric acid [ C12 H24 O2, db=93.72, \
overall=46.86, KEGG ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, 
   {214.1929, 12.781723, "Meta"} -> {{99438, 78960, 74598}, 
     {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, db=85.75, overall=42.87, \
KEGG ID=, CAS ID= ]", ""}}, {254.224, 12.784, "Meta"} -> 
    {{133718, 154213, 138612}, {"7-palmitoleic acid [ C16 H30 O2, db=89.68, \
overall=44.84, Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, 
   {1072.5817, 12.78529, "Meta"} -> {{471191, 372234, 450011}, {"", ""}}, 
   {777.5449, 12.788111, "Meta"} -> {{130382, 133293, 136042}, {"", ""}}, 
   {294.2171, 12.80724, "Meta"} -> {{1, 1, 132288}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=65.45, overall=32.73, \
Lipid ID=, KEGG ID= ]", ""}}, {986.6337, 12.798241, "Meta"} -> 
    {{799588, 394974, 923397}, {"", ""}}, {483.3767, 12.801028, "Meta"} -> 
    {{93050, 85679, 96119}, {"", ""}}, {466.3504, 12.800827, "Meta"} -> 
    {{33511, 142497, 144377}, {"", ""}}, {515.2983, 12.801221, "Meta"} -> 
    {{3759904, 2694416, 3150001}, {"", ""}}, {272.1993, 12.802755, "Meta"} -> 
    {{1, 1, 144079}, {"3-methyl-tetradecanedioic acid [ C15 H28 O4, db=87.86, \
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   {1002.6305, 12.8012295, "Meta"} -> {{71842, 87780, 76888}, {"", ""}}, 
   {1024.5826, 12.804735, "Meta"} -> {{441319, 311417, 415365}, {"", ""}}, 
   {591.2919, 12.809055, "Meta"} -> {{330019, 315347, 349410}, 
     {" [ C34 H41 N O8, db=0.00, overall=41.36, mfg=82.72 ]", ""}}, 
   {606.2508, 12.808973, "Meta"} -> {{186593, 151498, 122264}, {"", ""}}, 
   {493.3159, 12.811169, "Meta"} -> {{1.87*^7, 1.51*^7, 1.8*^7}, {"", ""}}, 
   {531.2643, 12.810324, "Meta"} -> {{1, 784163, 1}, {"", ""}}, 
   {549.2373, 12.808871, "Meta"} -> {{129996, 99754, 104633}, {"", ""}}, 
   {454.3057, 12.813647, "Meta"} -> {{40045, 43412, 28341}, 
     {"26,26,26-trifluoro-25-hydroxyvitamin D3 / \
26,26,26-trifluoro-25-hydroxycholecalciferol [ C27 H41 F3 O2, db=85.90, \
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   {414.3129, 12.812971, "Meta"} -> {{56264, 53228, 50626}, 
     {"1alpha,25-dihydroxy-9,11-didehydrovitamin D_3 / \
1alpha,25-dihydroxy-9,11-didehydrocholecalciferol [ C27 H42 O3, db=82.66, \
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   {596.2634, 12.8228445, "Meta"} -> {{40479, 30048, 1}, {"", ""}}, 
   {437.2892, 12.8172, "Meta"} -> {{42668, 32595, 33010}, {"", ""}}, 
   {682.4242, 12.824768, "Meta"} -> {{1, 30607, 31412}, {"", ""}}, 
   {398.2432, 12.822418, "Meta"} -> {{88370, 1909047, 256125}, {"", ""}}, 
   {677.4712, 12.822635, "Meta"} -> {{29154, 27211, 28775}, {"", ""}}, 
   {256.2036, 12.822162, "Meta"} -> {{92377, 91907, 99328}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=61.54, overall=30.77, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {826.5262, 12.818275, "Meta"} -> 
    {{57053, 52499, 1}, {"", ""}}, {280.2011, 12.8328, "Meta"} -> 
    {{41698, 40588, 55655}, 
     {"12S-HHTrE [ C17 H28 O3, db=40.55, overall=20.28, KEGG ID=, CAS ID= ]", 
      ""}}, {821.5706, 12.8296385, "Meta"} -> {{112821, 110952, 115664}, 
     {"", ""}}, {240.2083, 12.832307, "Meta"} -> {{43584, 44646, 43835}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=72.97, overall=36.49, Lipid ID=, \
KEGG ID= ]", ""}}, {527.403, 12.835585, "Meta"} -> 
    {{171993, 172004, 88616}, {"", ""}}, {510.3765, 12.837113, "Meta"} -> 
    {{66272, 282091, 261258}, {"", ""}}, {901.4447, 12.842889, "Meta"} -> 
    {{40154, 36231, 38945}, {"", ""}}, {338.2438, 12.854486, "Meta"} -> 
    {{47460, 39681, 43181}, {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=56.30, \
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    {{110954, 109867, 123401}, {"", ""}}, {588.2239, 12.856218, "Meta"} -> 
    {{28613, 41940, 1}, {"", ""}}, {414.1448, 12.856258, "Meta"} -> 
    {{28481, 26118, 22301}, {"", ""}}, {472.187, 12.863851, "Meta"} -> 
    {{20636, 18663, 1}, 
     {"Trp His Met [ C22 H28 N6 O4 S, db=36.23, overall=18.12 ]", ""}}, 
   {865.5967, 12.867527, "Meta"} -> {{78507, 79774, 75722}, {"", ""}}, 
   {870.5522, 12.86621, "Meta"} -> {{64418, 82037, 73397}, {"", ""}}, 
   {515.2333, 12.872112, "Meta"} -> {{78795, 72701, 71406}, {"", ""}}, 
   {384.1824, 12.871333, "Meta"} -> {{11895, 1, 1}, {"", ""}}, 
   {554.4028, 12.871445, "Meta"} -> {{353812, 356569, 82394}, {"", ""}}, 
   {500.1787, 12.860778, "Meta"} -> {{43467, 36095, 31507}, 
     {"gamma-Hydroxyphenylbutazone glucuronide [ C25 H28 N2 O9, db=78.83, \
overall=39.41, KEGG ID=, CAS ID= ]", ""}}, {444.2075, 12.872678, "Meta"} -> 
    {{1, 1, 9116}, {"", ""}}, {477.2857, 12.872913, "Meta"} -> 
    {{1165740, 1116139, 1135671}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=70.03, overall=35.02 ]", ""}}, 
   {560.2004, 12.861138, "Meta"} -> {{27864, 22992, 21549}, {"", ""}}, 
   {571.4295, 12.871741, "Meta"} -> {{247681, 249926, 246626}, {"", ""}}, 
   {370.1814, 12.859806, "Meta"} -> {{130182, 121618, 113584}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=96.30, \
overall=48.15, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {468.1503, 12.861229, "Meta"} -> {{20508, 20190, 20549}, {"", ""}}, 
   {352.1708, 12.858888, "Meta"} -> {{38300, 41877, 31750}, {"", ""}}, 
   {286.2145, 12.873165, "Meta"} -> {{490203, 393844, 469061}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=98.68, overall=49.34, HMP \
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    {{192726, 118947, 182758}, {"9-lauroleic acid [ C12 H22 O2, db=98.26, \
overall=49.13, Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, 
   {346.2464, 12.87547, "Meta"} -> {{31854, 32597, 37246}, {"", ""}}, 
   {303.2406, 12.874667, "Meta"} -> {{182739, 123475, 149383}, {"", ""}}, 
   {110.1092, 12.874167, "Meta"} -> {{58515, 48695, 61437}, {"", ""}}, 
   {331.272, 12.874617, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {312.23, 12.861374, "Meta"} -> {{90103, 68014, 1}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=73.37, \
overall=36.68, Lipid ID=, KEGG ID= ]", ""}}, {360.2661, 12.891426, "Meta"} -> 
    {{107383, 96281, 92948}, {"1alpha,23-dihydroxy-24,25,26,27-tetranorvitami\
n D3 / 1alpha,23-dihydroxy-24,25,26,27-tetranorcholeca [ C23 H36 O3, \
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   {472.2434, 12.8901825, "Meta"} -> {{43268, 48101, 40980}, {"", ""}}, 
   {548.23, 12.8912735, "Meta"} -> {{17549, 1, 13569}, {"", ""}}, 
   {342.2169, 12.894272, "Meta"} -> {{36126, 1, 24938}, 
     {"Megestrol [ C22 H30 O3, db=77.08, overall=38.54, KEGG ID=C07120, CAS \
ID=3562-63-8 ]", "3562-63-8"}}, {256.2187, 12.893861, "Meta"} -> 
    {{53904, 47119, 44043}, {"", ""}}, {927.4605, 12.892209, "Meta"} -> 
    {{17162, 11264, 1}, {"", ""}}, {911.496, 12.892471, "Meta"} -> 
    {{31003, 23152, 48972}, {"", ""}}, {539.2333, 12.903911, "Meta"} -> 
    {{173637, 169828, 166006}, {"", ""}}, {501.2855, 12.907584, "Meta"} -> 
    {{3996606, 3785982, 3756744}, {"Fexofenadine [ C32 H39 N O4, db=58.07, \
overall=29.03, KEGG ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {861.5497, 12.909751, "Meta"} -> {{1, 14187, 1}, {"", ""}}, 
   {519.3325, 12.914667, "Meta"} -> {{3.19*^7, 3.66*^7, 4.03*^7}, 
     {"1-Linoleoylphosphatidylcholine [ C26 H50 N O7 P, db=99.74, \
overall=49.87, KEGG ID=, CAS ID=5655-12-9 ]", "12/9/55"}}, 
   {1012.6501, 12.914031, "Meta"} -> {{726263, 1, 933739}, {"", ""}}, 
   {635.2734, 12.919773, "Meta"} -> {{44398, 42163, 29367}, {"", ""}}, 
   {1076.6128, 12.916134, "Meta"} -> {{369366, 1, 383261}, {"", ""}}, 
   {557.2806, 12.91837, "Meta"} -> {{937881, 952875, 867220}, {"", ""}}, 
   {541.3017, 12.946648, "Meta"} -> {{76126, 75516, 69036}, {"", ""}}, 
   {688.2915, 12.91703, "Meta"} -> {{68547, 85932, 86042}, {"", ""}}, 
   {853.5446, 12.919279, "Meta"} -> {{57991, 61127, 52529}, {"", ""}}, 
   {632.2664, 12.917572, "Meta"} -> {{153297, 150111, 135333}, {"", ""}}, 
   {1091.581, 12.917712, "Meta"} -> {{1, 88889, 1}, {"", ""}}, 
   {183.0655, 12.927937, "Meta"} -> {{236714, 225312, 235063}, {"", ""}}, 
   {1060.6475, 12.934857, "Meta"} -> {{1081893, 3240220, 797032}, {"", ""}}, 
   {1044.618, 12.990282, "Meta"} -> {{730180, 1, 1}, {"", ""}}, 
   {2658.6086, 13.000936, "Meta"} -> {{82940, 241070, 101346}, {"", ""}}, 
   {239.0918, 12.93324, "Meta"} -> {{1, 27732, 1}, {"", ""}}, 
   {1619.9443, 12.934193, "Meta"} -> {{151132, 1, 160305}, {"", ""}}, 
   {1000.6499, 12.928946, "Meta"} -> {{894787, 835438, 1117484}, {"", ""}}, 
   {481.3173, 12.937497, "Meta"} -> {{3763921, 3220621, 3376087}, 
     {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=99.47, overall=49.74, Lipid \
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    {{332821, 619175, 340635}, {"", ""}}, {519.2655, 12.939625, "Meta"} -> 
    {{230033, 178051, 159832}, {"", ""}}, {617.3076, 12.924249, "Meta"} -> 
    {{1, 214288, 1}, {"", ""}}, {1661.919, 13.038292, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {659.482, 12.942501, "Meta"} -> 
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    {{91316, 72564, 118484}, {"", ""}}, {426.2963, 13.498375, "Meta"} -> 
    {{1, 79871, 1}, {"GPCho(O-6:0/O-6:0) [ C20 H45 N O6 P, db=69.94, \
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   {775.5658, 13.486027, "Meta"} -> {{430721, 414380, 458852}, {"", ""}}, 
   {439.306, 13.489087, "Meta"} -> {{208305, 198820, 263860}, {"", ""}}, 
   {758.539, 13.485962, "Meta"} -> {{540911, 71227, 483923}, {"", ""}}, 
   {368.1336, 13.48364, "Meta"} -> {{1, 1, 11806}, {"", ""}}, 
   {283.108, 13.4861145, "Meta"} -> {{126831, 68333, 31081}, {"", ""}}, 
   {648.2967, 13.495222, "Meta"} -> {{24045, 29797, 24657}, {"", ""}}, 
   {819.592, 13.497973, "Meta"} -> {{488791, 444619, 477587}, {"", ""}}, 
   {802.5656, 13.49772, "Meta"} -> {{586969, 1, 49802}, 
     {"1-heptadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosph\
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ID= ]", ""}}, {479.337, 13.495556, "Meta"} -> {{6279341, 9263898, 8566942}, 
     {"", ""}}, {1165.6327, 13.499093, "Meta"} -> {{196392, 156133, 182582}, 
     {"", ""}}, {1151.618, 13.505199, "Meta"} -> {{112298, 1, 147160}, 
     {"", ""}}, {988.6857, 13.50629, "Meta"} -> {{300998, 612066, 579854}, 
     {"", ""}}, {339.2883, 13.506903, "Meta"} -> 
    {{1179406, 1114021, 1169706}, {"", ""}}, {517.285, 13.498918, "Meta"} -> 
    {{159853, 196912, 164675}, {"", ""}}, {765.5234, 13.503918, "Meta"} -> 
    {{116853, 105856, 123641}, {"", ""}}, {1399.899, 13.508409, "Meta"} -> 
    {{47199, 31395, 1}, {"", ""}}, {1050.7004, 13.5051985, "Meta"} -> 
    {{161595, 696441, 496031}, {"", ""}}, {1026.6353, 13.507728, "Meta"} -> 
    {{75573, 80638, 69048}, {"", ""}}, {1092.7122, 13.491323, "Meta"} -> 
    {{803008, 991231, 1106205}, {"", ""}}, {477.1903, 13.515063, "Meta"} -> 
    {{50888, 1, 46205}, {"3,5-Pyridinedicarboxylic acid, \
2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino] [ C26 \
H27 N3 O6, db=52.47, overall=26.23, KEGG ID=, CAS ID=59875-58-0 ]", 
      "59875-58-0"}}, {279.2562, 13.510799, "Meta"} -> 
    {{6896203, 5907790, 5425403}, {"", ""}}, 
   {1123.622, 13.4977045, "Meta"} -> {{54419, 51525, 1}, {"", ""}}, 
   {598.2433, 13.509795, "Meta"} -> {{35325, 29709, 1}, {"", ""}}, 
   {846.5917, 13.509481, "Meta"} -> {{1, 643917, 103955}, {"", ""}}, 
   {863.6182, 13.510503, "Meta"} -> {{534690, 593665, 583980}, 
     {"C22 Sulfatide [ C46 H89 N O11 S, db=87.95, overall=43.97, Lipid \
ID=LMSP06020009, KEGG ID= ]", ""}}, {885.5996, 13.517038, "Meta"} -> 
    {{61481, 1, 49476}, {"", ""}}, {612.2584, 13.509334, "Meta"} -> 
    {{410853, 338568, 310641}, {"", ""}}, {580.2323, 13.509277, "Meta"} -> 
    {{622070, 437017, 493765}, {"", ""}}, {547.2957, 13.523854, "Meta"} -> 
    {{460190, 444141, 423092}, {"", ""}}, {644.2847, 13.51143, "Meta"} -> 
    {{946417, 1, 718473}, {"", ""}}, {509.3475, 13.52603, "Meta"} -> 
    {{1.92*^7, 1.57*^7, 1.62*^7}, {"", ""}}, {658.2652, 13.513304, "Meta"} -> 
    {{64005, 48813, 41118}, {"", ""}}, {607.3208, 13.524964, "Meta"} -> 
    {{181542, 190117, 186450}, {"", ""}}, {907.6449, 13.525166, "Meta"} -> 
    {{672412, 608673, 594799}, {"3-O-Sulfogalactosylceramide [ C48 H93 N O12 \
S, db=86.45, overall=43.23, HMP ID=HMDB00024, KEGG ID= ]", ""}}, 
   {890.6182, 13.524207, "Meta"} -> {{1, 650206, 110552}, {"", ""}}, 
   {720.3006, 13.519515, "Meta"} -> {{41864, 30326, 28554}, {"", ""}}, 
   {672.2796, 13.517088, "Meta"} -> {{288340, 252343, 201560}, {"", ""}}, 
   {571.3639, 13.521864, "Meta"} -> {{4280413, 6312543, 7101227}, {"", ""}}, 
   {354.2171, 13.571854, "Meta"} -> {{18529, 30523, 69886}, 
     {"Levonorgestrel acetate [ C23 H30 O3, db=64.58, overall=32.29, KEGG \
ID=, CAS ID=13732-69-9 ]", "13732-69-9"}}, {814.5046, 13.536868, "Meta"} -> 
    {{120538, 113854, 109492}, {"", ""}}, {809.5497, 13.531092, "Meta"} -> 
    {{83306, 70216, 89434}, {"", ""}}, {734.3164, 13.525888, "Meta"} -> 
    {{124353, 91292, 84176}, {"", ""}}, {299.2825, 13.542036, "Meta"} -> 
    {{97241, 82596, 98671}, {"3-Dehydrosphinganine [ C18 H37 N O2, db=93.67, \
overall=46.83, KEGG ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {706.3211, 13.528087, "Meta"} -> {{58808, 47062, 43469}, {"", ""}}, 
   {1369.8884, 13.563042, "Meta"} -> {{69049, 47354, 51456}, {"", ""}}, 
   {934.6437, 13.537066, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {951.6706, 13.535638, "Meta"} -> {{523466, 655139, 707752}, {"", ""}}, 
   {395.3035, 13.538113, "Meta"} -> {{295606, 269339, 316759}, {"", ""}}, 
   {400.2588, 13.538917, "Meta"} -> {{907551, 731133, 762035}, 
     {"Ophiobolin A [ C25 H36 O4, db=54.29, overall=27.15, Lipid \
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    {{182428, 197878, 211277}, {"Diphenoxylate [ C30 H32 N2 O2, db=83.13, \
overall=41.56, KEGG ID=C07872, CAS ID=915-30-0 ]", "915-30-0"}}, 
   {354.2765, 13.544889, "Meta"} -> {{5836957, 5755765, 5675665}, 
     {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 O4, db=86.35, \
overall=43.17, KEGG ID=, CAS ID= ]", ""}}, {491.2062, 13.533772, "Meta"} -> 
    {{66399, 89993, 50684}, 
     {"Tyr Phe Tyr [ C27 H29 N3 O6, db=57.52, overall=28.76 ]", ""}}, 
   {414.3093, 13.543919, "Meta"} -> {{411461, 467620, 503090}, {"", ""}}, 
   {371.3036, 13.545373, "Meta"} -> {{1541248, 1528404, 1704236}, {"", ""}}, 
   {1000.6522, 13.561621, "Meta"} -> {{97693, 457262, 105985}, {"", ""}}, 
   {995.6966, 13.547221, "Meta"} -> {{528043, 532112, 433490}, {"", ""}}, 
   {262.2296, 13.545572, "Meta"} -> {{414974, 424743, 460079}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=92.20, overall=46.10, Lipid \
ID=, KEGG ID= ]", ""}}, {396.2665, 13.645791, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {508.8397, 13.549695, "Meta"} -> 
    {{107752, 102506, 103372}, {"", ""}}, {1022.6367, 13.552206, "Meta"} -> 
    {{75188, 83225, 78540}, {"", ""}}, {267.2559, 13.55222, "Meta"} -> 
    {{1109969, 924187, 917769}, {"", ""}}, {853.5758, 13.555092, "Meta"} -> 
    {{45264, 55557, 79827}, {"", ""}}, {501.2539, 13.558999, "Meta"} -> 
    {{18741, 62087, 57553}, {"", ""}}, {858.5316, 13.556654, "Meta"} -> 
    {{54374, 1, 50382}, {"", ""}}, {1028.648, 13.573232, "Meta"} -> 
    {{1, 117872, 117798}, {"", ""}}, {837.5203, 13.564915, "Meta"} -> 
    {{1, 13865, 20057}, {"", ""}}, {519.8613, 13.559681, "Meta"} -> 
    {{36847, 1, 40605}, {"", ""}}, {1056.7491, 13.56075, "Meta"} -> 
    {{106064, 91178, 116038}, {"", ""}}, {530.8529, 13.562063, "Meta"} -> 
    {{130575, 109494, 112164}, {"", ""}}, {463.3064, 13.56053, "Meta"} -> 
    {{432769, 943002, 811405}, {"", ""}}, {334.1441, 13.569034, "Meta"} -> 
    {{35416, 26134, 20195}, 
     {"Arg Cys Gly [ C11 H22 N6 O4 S, db=50.72, overall=25.36 ]", ""}}, 
   {376.1987, 13.568419, "Meta"} -> {{1, 1, 1}, 
     {"Glu Thr Lys [ C15 H28 N4 O7, db=67.35, overall=33.68 ]", ""}}, 
   {316.1717, 13.568858, "Meta"} -> {{26471, 23893, 23214}, 
     {"Ala Asn Leu [ C13 H24 N4 O5, db=54.09, overall=27.05 ]", ""}}, 
   {278.2244, 13.568999, "Meta"} -> {{277244, 226310, 218778}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=86.05, overall=43.02, Lipid \
ID=LMFA01030148, KEGG ID= ]", ""}}, {295.2523, 13.578938, "Meta"} -> 
    {{341224, 329650, 1}, {"", ""}}, {1088.7043, 13.572557, "Meta"} -> 
    {{345171, 341103, 343146}, {"", ""}}, {1110.6956, 13.577559, "Meta"} -> 
    {{219519, 113596, 118023}, {"", ""}}, {960.6902, 13.570629, "Meta"} -> 
    {{61493, 140804, 117402}, {"", ""}}, {902.5572, 13.5793, "Meta"} -> 
    {{42752, 46359, 48388}, {"", ""}}, {897.6025, 13.580344, "Meta"} -> 
    {{58201, 56522, 63217}, {"", ""}}, {294.2172, 13.592863, "Meta"} -> 
    {{42667, 43333, 35502}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, \
db=68.48, overall=34.24, Lipid ID=, KEGG ID= ]", ""}}, 
   {466.3728, 13.589202, "Meta"} -> {{82875, 59879, 58523}, {"", ""}}, 
   {519.3001, 13.581778, "Meta"} -> {{231266, 312960, 277632}, {"", ""}}, 
   {594.2896, 13.585677, "Meta"} -> {{42208, 57729, 1}, 
     {" [ C33 H42 N2 O8, db=0.00, overall=30.00, mfg=60.00 ]", ""}}, 
   {1132.7306, 13.584446, "Meta"} -> {{240047, 249925, 232693}, {"", ""}}, 
   {481.3526, 13.5835, "Meta"} -> {{1.11*^7, 1.49*^7, 1.43*^7}, 
     {"1-O-Hexadecyl-2-lyso-glycero-3-phosphorylcholine [ C24 H52 N O6 P, \
db=95.41, overall=47.71, KEGG ID=, CAS ID=52691-62-0 ]", "52691-62-0"}}, 
   {579.3257, 13.584827, "Meta"} -> {{127674, 172795, 178283}, {"", ""}}, 
   {421.3402, 13.600849, "Meta"} -> {{899440, 549440, 669876}, {"", ""}}, 
   {364.2589, 13.5994625, "Meta"} -> {{1, 1, 1}, {"11-deoxy-16,16-dimethyl-PG\
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   {386.3031, 13.601744, "Meta"} -> {{811805, 497516, 582633}, {"", ""}}, 
   {1545.9933, 13.579229, "Meta"} -> {{82046, 100431, 100127}, {"", ""}}, 
   {1176.7563, 13.596857, "Meta"} -> {{218945, 228645, 231699}, {"", ""}}, 
   {404.3139, 13.602781, "Meta"} -> {{4933585, 2925321, 3104188}, {"", ""}}, 
   {599.8735, 13.598457, "Meta"} -> {{1, 1, 38890}, {"", ""}}, 
   {946.5852, 13.60276, "Meta"} -> {{1, 27015, 1}, {"", ""}}, 
   {547.3639, 13.597056, "Meta"} -> {{5850511, 9385431, 9538410}, {"", ""}}, 
   {941.6301, 13.598959, "Meta"} -> {{43212, 72787, 75560}, {"", ""}}, 
   {585.3108, 13.596875, "Meta"} -> {{198604, 250776, 235648}, {"", ""}}, 
   {358.2483, 13.611223, "Meta"} -> {{1, 45219, 57795}, {"", ""}}, 
   {312.2663, 13.609001, "Meta"} -> {{1449346, 1257549, 1019480}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=91.98, overall=45.99, Lipid \
ID=, KEGG ID= ]", ""}}, {1215.8278, 13.60837, "Meta"} -> 
    {{391998, 377737, 382230}, {"", ""}}, {1220.7823, 13.607741, "Meta"} -> 
    {{131603, 157303, 163297}, {"", ""}}, {1232.8549, 13.610902, "Meta"} -> 
    {{1, 100450, 127961}, {"", ""}}, {451.3062, 13.630885, "Meta"} -> 
    {{227682, 318552, 363779}, {"", ""}}, {773.5247, 13.616361, "Meta"} -> 
    {{1, 38286, 34021}, {"", ""}}, {1264.8105, 13.619029, "Meta"} -> 
    {{125215, 152899, 132203}, {"", ""}}, {993.6999, 13.622969, "Meta"} -> 
    {{25862, 54838, 47267}, {"", ""}}, {629.9261, 13.618459, "Meta"} -> 
    {{212574, 256822, 261300}, {"", ""}}, {271.2509, 13.618684, "Meta"} -> 
    {{56095, 37927, 36878}, {"2R-aminohexadecanoic acid [ C16 H33 N O2, \
db=94.88, overall=47.44, Lipid ID=, KEGG ID= ]", ""}}, 
   {367.1602, 13.626543, "Meta"} -> {{37028, 29576, 23095}, 
     {"prasterone sulfate [ C19 H27 O5 S, db=49.48, overall=24.74, KEGG ID=, \
CAS ID=78590-17-7 ]", "78590-17-7"}}, {1276.8809, 13.6216545, "Meta"} -> 
    {{159924, 122225, 1}, {"", ""}}, {254.2244, 13.625055, "Meta"} -> 
    {{432529, 382837, 355731}, {"7-palmitoleic acid [ C16 H30 O2, db=96.21, \
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   {356.2328, 13.633856, "Meta"} -> {{146542, 140989, 119418}, 
     {"Estradiol valerate [ C23 H32 O3, db=47.05, overall=23.52, Lipid \
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    {{1, 1, 1}, {"", ""}}, {352.1935, 13.626401, "Meta"} -> 
    {{101833, 1, 1}, {"", ""}}, {308.235, 13.627833, "Meta"} -> 
    {{2648716, 3779283, 4127625}, {"methyl 9,10-epoxy-12,15-octadecadienoate \
[ C19 H32 O3, db=72.91, overall=36.45, Lipid ID=, KEGG ID= ]", ""}}, 
   {236.2138, 13.625389, "Meta"} -> {{53224, 41843, 72918}, 
     {"6,11-hexadecadienal [ C16 H28 O, db=62.84, overall=31.42, Lipid ID=, \
KEGG ID= ]", ""}}, {512.3476, 13.627999, "Meta"} -> 
    {{97785, 85509, 79784}, {"ZK 159222 [ C32 H48 O5, db=76.77, \
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   {325.2617, 13.630723, "Meta"} -> {{254482, 398586, 416870}, 
     {"50oxo-ETE-d7 [ C20 H23 D7 O3, db=54.79, overall=27.39, Lipid \
ID=LMFA03060083, KEGG ID= ]", ""}}, {472.3549, 13.629856, "Meta"} -> 
    {{37931, 38673, 30441}, {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehyd\
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   {290.2243, 13.629774, "Meta"} -> {{145041, 225769, 181158}, 
     {"Androsterone [ C19 H30 O2, db=84.81, overall=42.40, KEGG ID=C00523, \
CAS ID=53-41-8 ]", "53-41-8"}}, {1303.8798, 13.632357, "Meta"} -> 
    {{99660, 252218, 44035}, {"", ""}}, {1308.8383, 13.623311, "Meta"} -> 
    {{50337, 33922, 43463}, {"", ""}}, {1320.9062, 13.631161, "Meta"} -> 
    {{115883, 129199, 117427}, {"", ""}}, {484.3163, 13.628167, "Meta"} -> 
    {{116090, 71078, 1}, {"", ""}}, {589.3743, 13.630784, "Meta"} -> 
    {{156709, 292691, 306994}, {"", ""}}, {1347.9061, 13.640295, "Meta"} -> 
    {{216888, 1, 1}, {"", ""}}, {1364.9329, 13.639176, "Meta"} -> 
    {{106303, 102973, 99002}, {"", ""}}, {543.3015, 13.631483, "Meta"} -> 
    {{1, 32571, 31182}, {"", ""}}, {268.2188, 13.641944, "Meta"} -> 
    {{907004, 769053, 746082}, {"", ""}}, {505.3532, 13.638071, "Meta"} -> 
    {{1, 1700086, 1727319}, {"", ""}}, {1408.9576, 13.652612, "Meta"} -> 
    {{76082, 59365, 90812}, {"", ""}}, {1418.8726, 13.652807, "Meta"} -> 
    {{35828, 1, 1}, {"", ""}}, {380.2538, 13.661728, "Meta"} -> 
    {{39998, 30919, 37117}, {"16,16-dimethyl-PGE2 [ C22 H36 O5, db=43.84, \
overall=21.92, Lipid ID=LMFA03010065, KEGG ID= ]", ""}}, 
   {277.2381, 13.661151, "Meta"} -> {{804348, 748080, 793802}, {"", ""}}, 
   {456.3809, 13.659138, "Meta"} -> {{90626, 29594, 29819}, {"", ""}}, 
   {1452.9851, 13.655355, "Meta"} -> {{59193, 66645, 64249}, {"", ""}}, 
   {1462.9037, 13.658624, "Meta"} -> {{1, 51836, 43936}, {"", ""}}, 
   {1457.9413, 13.6546545, "Meta"} -> {{81044, 70232, 90814}, {"", ""}}, 
   {535.364, 13.656915, "Meta"} -> {{1686369, 2082833, 1548103}, {"", ""}}, 
   {315.2885, 13.664111, "Meta"} -> {{1345502, 1245463, 1423115}, {"", ""}}, 
   {255.2563, 13.666528, "Meta"} -> {{6395818, 5029164, 6101521}, {"", ""}}, 
   {1497.008, 13.670268, "Meta"} -> {{40608, 1, 33386}, {"", ""}}, 
   {300.3139, 13.665778, "Meta"} -> {{76208, 63590, 81233}, {"", ""}}, 
   {750.9837, 13.667515, "Meta"} -> {{43878, 34752, 34578}, {"", ""}}, 
   {1541.0359, 13.675578, "Meta"} -> {{26831, 28660, 24789}, {"", ""}}, 
   {561.3118, 13.6438, "Meta"} -> {{368477, 403279, 1}, {"", ""}}, 
   {419.3251, 13.692777, "Meta"} -> {{374151, 329550, 383783}, {"", ""}}, 
   {585.5332, 13.689299, "Meta"} -> {{353078, 794827, 254439}, {"", ""}}, 
   {728.5284, 13.694607, "Meta"} -> {{174644, 1, 163727}, 
     {" 1-heptadecanoyl, \
2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate [ C40 H75 N O8 P, \
db=67.05, overall=33.53, KEGG ID=, CAS ID= ]", ""}}, 
   {657.5026, 13.693542, "Meta"} -> {{30789, 1, 33101}, {"", ""}}, 
   {745.5551, 13.695362, "Meta"} -> {{146332, 140129, 148867}, 
     {"GPEtn(18:0/18:1(9Z))[U] [ C41 H80 N O8 P, db=60.81, overall=30.41, \
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    {{245177, 208579, 235540}, {"", ""}}, {988.6896, 13.703807, "Meta"} -> 
    {{58730, 96401, 88433}, {"", ""}}, {481.3164, 13.701916, "Meta"} -> 
    {{6012068, 6725209, 6895615}, {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, \
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   {833.6076, 13.703074, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {742.5407, 13.7042, "Meta"} -> {{83236, 61205, 57409}, {"", ""}}, 
   {312.2665, 13.707916, "Meta"} -> {{1810091, 1191405, 1338808}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=99.80, overall=49.90, Lipid \
ID=, KEGG ID= ]", ""}}, {493.3533, 13.702571, "Meta"} -> 
    {{379243, 455290, 485338}, {"", ""}}, {758.5224, 13.708063, "Meta"} -> 
    {{426773, 277648, 271917}, {"", ""}}, {690.5228, 13.667901, "Meta"} -> 
    {{1, 25205, 1}, {"1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(7Z,10Z,13Z,16\
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ID=, CAS ID= ]", ""}}, {722.5491, 13.705866, "Meta"} -> 
    {{44279, 29106, 27961}, {"", ""}}, {330.2764, 13.70722, "Meta"} -> 
    {{5.31*^7, 3.79*^7, 3.89*^7}, {"1-hexadecanoyl-sn-glycerol [ C19 H38 O4, \
db=96.78, overall=48.39, KEGG ID=, CAS ID= ]", ""}}, 
   {1359.0566, 13.708065, "Meta"} -> {{848003, 444795, 447772}, {"", ""}}, 
   {698.5018, 13.707211, "Meta"} -> {{161934, 118585, 115691}, {"", ""}}, 
   {347.3029, 13.707416, "Meta"} -> {{5588443, 3932181, 4284315}, {"", ""}}, 
   {1179.8202, 13.7051325, "Meta"} -> {{440864, 359705, 361364}, {"", ""}}, 
   {708.5384, 13.711206, "Meta"} -> {{115068, 84285, 75464}, {"", ""}}, 
   {446.2179, 13.704512, "Meta"} -> {{200729, 153756, 192835}, 
     {"Trp Glu Leu [ C22 H30 N4 O6, db=57.78, overall=28.89 ]", ""}}, 
   {428.2451, 13.707165, "Meta"} -> {{832691, 617260, 622729}, {"", ""}}, 
   {238.2293, 13.707944, "Meta"} -> {{476254, 324975, 349259}, 
     {"cis-11-Hexadecenal [ C16 H30 O, db=98.92, overall=49.46, KEGG ID=, CAS \
ID=53939-28-9 ]", "53939-28-9"}}, {443.2139, 13.701389, "Meta"} -> 
    {{246369, 174754, 151811}, {"", ""}}, {877.6339, 13.707833, "Meta"} -> 
    {{403080, 392558, 416496}, {"", ""}}, {390.3095, 13.707778, "Meta"} -> 
    {{1538307, 1248851, 1304527}, {"", ""}}, 
   {361.3191, 13.7076845, "Meta"} -> {{125814, 100443, 111751}, {"", ""}}, 
   {488.2747, 13.70686, "Meta"} -> {{155257, 118044, 128854}, 
     {"Hydrocortisone butyrate propionate [ C28 H40 O7, db=78.29, \
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   {636.4941, 13.70936, "Meta"} -> {{100070, 172430, 141503}, {"", ""}}, 
   {1205.8732, 13.708405, "Meta"} -> {{150477, 171217, 145254}, {"", ""}}, 
   {327.2883, 13.575701, "Meta"} -> {{267524, 311713, 325442}, {"", ""}}, 
   {875.5992, 13.708193, "Meta"} -> {{112892, 128829, 127367}, {"", ""}}, 
   {920.6385, 13.710331, "Meta"} -> {{40761, 50525, 46366}, {"", ""}}, 
   {499.2362, 13.707289, "Meta"} -> {{115502, 76465, 77401}, {"", ""}}, 
   {660.4944, 13.711299, "Meta"} -> {{98010, 152166, 135407}, {"", ""}}, 
   {899.616, 13.707419, "Meta"} -> {{1, 1, 27356}, {"", ""}}, 
   {904.6328, 13.710101, "Meta"} -> {{578140, 1, 555646}, {"", ""}}, 
   {860.6077, 13.708208, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {497.3691, 13.71389, "Meta"} -> {{23859, 23765, 29807}, {"", ""}}, 
   {921.6601, 13.713472, "Meta"} -> {{470743, 455886, 481542}, {"", ""}}, 
   {507.3686, 13.708972, "Meta"} -> {{4674841, 5731595, 5150548}, {"", ""}}, 
   {938.6867, 13.711778, "Meta"} -> {{18849, 20709, 22604}, {"", ""}}, 
   {284.2349, 13.715, "Meta"} -> {{133816, 216987, 203357}, 
     {"2-oxo-heptadecanoic acid [ C17 H32 O3, db=75.45, overall=37.73, Lipid \
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    {{39515, 35708, 35047}, {"", ""}}, {335.3185, 13.717598, "Meta"} -> 
    {{163611, 57929, 225593}, {"", ""}}, {965.6862, 13.719054, "Meta"} -> 
    {{501285, 491466, 501164}, {"", ""}}, {982.7166, 13.718828, "Meta"} -> 
    {{26905, 27945, 25425}, {"Thermozeaxanthin-17/ Zeaxanthin glucoside ester \
[ C63 H98 O8, db=32.76, overall=16.38, Lipid ID=LMPR01070109, KEGG ID= ]", 
      ""}}, {482.8427, 13.7168665, "Meta"} -> {{19455, 15000, 20649}, 
     {"", ""}}, {992.6864, 13.722834, "Meta"} -> {{504202, 66966, 459865}, 
     {"", ""}}, {504.8561, 13.722639, "Meta"} -> {{24751, 23118, 23935}, 
     {"", ""}}, {1031.695, 13.723343, "Meta"} -> {{86631, 74934, 104191}, 
     {"", ""}}, {1009.7122, 13.727061, "Meta"} -> {{657246, 519651, 583815}, 
     {"", ""}}, {1058.6993, 13.73592, "Meta"} -> {{28217, 1, 535129}, 
     {"", ""}}, {1053.7383, 13.736089, "Meta"} -> 
    {{1, 690415, 724068}, {"", ""}}, {338.2818, 13.758765, "Meta"} -> 
    {{271226, 356911, 357956}, {"", ""}}, {1119.7476, 13.730624, "Meta"} -> 
    {{112957, 90367, 96970}, {"", ""}}, {1114.7919, 13.734138, "Meta"} -> 
    {{62642, 56765, 53853}, {"", ""}}, {1102.7205, 13.739172, "Meta"} -> 
    {{422913, 375339, 1}, {"", ""}}, {1141.7909, 13.747208, "Meta"} -> 
    {{357355, 1, 313851}, {"", ""}}, {1158.8184, 13.738751, "Meta"} -> 
    {{1, 69178, 71341}, {"", ""}}, {1146.747, 13.749473, "Meta"} -> 
    {{67421, 351258, 374627}, {"", ""}}, {1202.8444, 13.744382, "Meta"} -> 
    {{53781, 59686, 71874}, {"Ganglioside GA2 (d18:1/26:1(17Z)) [ C64 H118 N2 \
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   {1185.8173, 13.754801, "Meta"} -> {{1, 404234, 260081}, {"", ""}}, 
   {1190.7725, 13.755764, "Meta"} -> {{365694, 329090, 342364}, {"", ""}}, 
   {1011.7083, 13.866961, "Meta"} -> {{98169, 169447, 158607}, {"", ""}}, 
   {1234.7983, 13.766872, "Meta"} -> {{1, 235895, 1}, {"", ""}}, 
   {639.3065, 13.762452, "Meta"} -> {{181688, 121933, 38111}, 
     {"Protorifamycin I [ C35 H45 N O10, db=55.35, overall=27.68, Lipid \
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    {{194559, 330335, 200331}, {"", ""}}, {636.3007, 13.76603, "Meta"} -> 
    {{288851, 256354, 1}, {"", ""}}, {1246.8712, 13.768721, "Meta"} -> 
    {{1, 89014, 1}, {"", ""}}, {692.323, 13.76518, "Meta"} -> 
    {{80283, 72667, 65674}, {"", ""}}, {579.284, 13.767687, "Meta"} -> 
    {{233478, 209577, 210589}, 
     {" [ C33 H41 N O8, db=0.00, overall=31.75, mfg=63.50 ]", ""}}, 
   {621.3346, 13.749526, "Meta"} -> {{624217, 509877, 538217}, {"", ""}}, 
   {1273.8698, 13.773914, "Meta"} -> {{294734, 261350, 182009}, {"", ""}}, 
   {1030.7332, 13.746588, "Meta"} -> {{844972, 1831349, 1737738}, {"", ""}}, 
   {576.2868, 13.770852, "Meta"} -> {{113552, 88427, 81455}, {"", ""}}, 
   {1068.696, 13.763723, "Meta"} -> {{235203, 542079, 482627}, {"", ""}}, 
   {1278.8254, 13.776278, "Meta"} -> {{210003, 193167, 187770}, {"", ""}}, 
   {561.3117, 13.775912, "Meta"} -> {{1853800, 1783346, 2182867}, {"", ""}}, 
   {1339.8785, 13.780607, "Meta"} -> {{32483, 91044, 88996}, {"", ""}}, 
   {567.3707, 13.7708, "Meta"} -> {{38231, 30242, 1}, {"", ""}}, 
   {1322.8525, 13.784331, "Meta"} -> {{135953, 142703, 138519}, {"", ""}}, 
   {1334.9222, 13.792586, "Meta"} -> {{59863, 60302, 58873}, {"", ""}}, 
   {889.551, 13.800771, "Meta"} -> {{42821, 29699, 24272}, {"", ""}}, 
   {1099.6451, 13.763071, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {523.3653, 13.780612, "Meta"} -> {{1.28*^8, 1.2*^8, 1.19*^8}, 
     {"1-hexadecyl-2-acetyl-glycero-3-phosphocholine [ C26 H54 N O7 P, \
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   {865.5515, 13.794698, "Meta"} -> {{65061, 66713, 60988}, {"", ""}}, 
   {1058.2133, 13.77028, "Meta"} -> {{1, 1, 175052}, {"", ""}}, 
   {1608.04, 13.77903, "Meta"} -> {{1586573, 1593503, 1656700}, {"", ""}}, 
   {2637.7942, 13.772834, "Meta"} -> {{1, 1, 339215}, {"", ""}}, 
   {1046.7288, 13.771727, "Meta"} -> {{4.97*^7, 5.5*^7, 5.99*^7}, {"", ""}}, 
   {171.108, 13.797971, "Meta"} -> {{161097, 95181, 217570}, {"", ""}}, 
   {1366.8785, 13.790698, "Meta"} -> {{1, 152956, 132730}, {"", ""}}, 
   {398.1857, 13.79976, "Meta"} -> {{1, 1, 131009}, {"", ""}}, 
   {2131.4026, 13.776884, "Meta"} -> {{1664239, 1557916, 1543043}, {"", ""}}, 
   {321.2667, 13.802221, "Meta"} -> {{40814, 39533, 36934}, 
     {"Anandamide (18:3, n-6) [ C20 H35 N O2, db=98.53, overall=49.26, Lipid \
ID=LMFA08040003, KEGG ID= ]", ""}}, {1378.9491, 13.801964, "Meta"} -> 
    {{68349, 1, 71126}, {"", ""}}, {1410.9069, 13.799668, "Meta"} -> 
    {{1, 84902, 101721}, {"", ""}}, {326.2219, 13.802333, "Meta"} -> 
    {{65694, 67782, 52322}, {"3a-OH Desogestrel [ C22 H30 O2, db=65.76, \
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   {495.3673, 13.825147, "Meta"} -> {{234949, 366065, 317948}, {"", ""}}, 
   {1405.9486, 13.799881, "Meta"} -> {{165331, 54604, 170479}, {"", ""}}, 
   {345.2666, 13.810092, "Meta"} -> {{45802, 59090, 47224}, 
     {"Anandamide (20:5, n-3) [ C22 H35 N O2, db=85.48, overall=42.74, Lipid \
ID=LMFA08040008, KEGG ID= ]", ""}}, {328.2401, 13.805646, "Meta"} -> 
    {{45996, 92067, 86714}, {"3,9,15-Docosatriynoic acid [ C22 H32 O2, \
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   {1422.9753, 13.803818, "Meta"} -> {{59499, 44364, 51540}, {"", ""}}, 
   {1330.8604, 13.71827, "Meta"} -> {{88576, 89780, 92556}, {"", ""}}, 
   {1454.929, 13.805271, "Meta"} -> {{53496, 49506, 46735}, {"", ""}}, 
   {536.5281, 13.803085, "Meta"} -> {{57078, 49871, 38121}, {"", ""}}, 
   {587.4892, 13.8079605, "Meta"} -> {{20059, 27821, 1}, {"", ""}}, 
   {1449.9736, 13.80397, "Meta"} -> {{143478, 1, 130736}, {"", ""}}, 
   {341.3044, 13.817472, "Meta"} -> {{2142863, 2515782, 3474703}, {"", ""}}, 
   {354.3241, 13.811501, "Meta"} -> {{1, 44417, 65271}, {"", ""}}, 
   {281.2712, 13.812444, "Meta"} -> {{2.97*^7, 2.65*^7, 3.31*^7}, 
     {"Oleamide [ C18 H35 N O, db=95.12, overall=47.56, KEGG ID=, CAS \
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    {{1, 57497, 65771}, {"", ""}}, {312.3138, 13.81286, "Meta"} -> 
    {{127960, 108508, 110345}, {"", ""}}, {841.5513, 13.813585, "Meta"} -> 
    {{1, 484574, 1}, {"", ""}}, {401.3155, 13.8185835, "Meta"} -> 
    {{152661, 137647, 169569}, {"", ""}}, {326.3296, 13.8149185, "Meta"} -> 
    {{487854, 418364, 501815}, {"", ""}}, {856.5198, 13.818584, "Meta"} -> 
    {{1, 1, 66753}, {"", ""}}, {1511.0262, 13.81507, "Meta"} -> 
    {{55567, 49565, 49646}, {"", ""}}, {376.2038, 13.804546, "Meta"} -> 
    {{1, 63431, 139647}, {"fluorometholone [ C22 H29 F O4, db=59.20, \
overall=29.60, KEGG ID=, CAS ID=426-13-1 ]", "426-13-1"}}, 
   {887.643, 13.824824, "Meta"} -> {{154765, 173255, 180640}, {"", ""}}, 
   {262.2296, 13.822443, "Meta"} -> {{62653, 57715, 48490}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=86.48, overall=43.24, Lipid \
ID=, KEGG ID= ]", ""}}, {1555.054, 13.823677, "Meta"} -> 
    {{38472, 36579, 36875}, {"", ""}}, {1599.0771, 13.82784, "Meta"} -> 
    {{35785, 1, 45285}, {"", ""}}, {393.1754, 13.824646, "Meta"} -> 
    {{49582, 38505, 29766}, 
     {"Thr His His [ C16 H23 N7 O5, db=62.69, overall=31.35 ]", ""}}, 
   {280.2402, 13.821678, "Meta"} -> {{664932, 670501, 445048}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.73, overall=42.36, \
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    {{38465, 31741, 1}, {"", ""}}, {318.1871, 13.828527, "Meta"} -> 
    {{36465, 34566, 34390}, {"", ""}}, {336.1598, 13.82475, "Meta"} -> 
    {{109078, 86665, 71595}, {"", ""}}, {742.5544, 13.829965, "Meta"} -> 
    {{57906, 63529, 70798}, {"", ""}}, {264.2449, 13.830167, "Meta"} -> 
    {{182190, 184841, 203170}, {"9,12-octadecadienal [ C18 H32 O, db=93.91, \
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    {{1, 1, 1}, {"", ""}}, {637.5649, 13.826834, "Meta"} -> 
    {{511342, 527196, 574098}, {"", ""}}, {1604.0345, 13.831274, "Meta"} -> 
    {{61545, 39794, 58329}, {"", ""}}, {917.6042, 13.830849, "Meta"} -> 
    {{245526, 280189, 248171}, {"", ""}}, {454.2603, 13.837749, "Meta"} -> 
    {{158478, 176269, 177736}, {"18-acetoxy-PGF2alpha-11-acetate [ C24 H38 \
O8, db=67.62, overall=33.81, Lipid ID=LMFA03010098, KEGG ID= ]", ""}}, 
   {1643.1019, 13.833906, "Meta"} -> {{33072, 21106, 37433}, {"", ""}}, 
   {356.2921, 13.832834, "Meta"} -> {{4890418, 5162867, 5535403}, 
     {"1-(11E-octadecenoyl)-rac-glycerol [ C21 H40 O4, db=98.15, \
overall=49.07, KEGG ID=, CAS ID= ]", ""}}, {416.3249, 13.833222, "Meta"} -> 
    {{212529, 292628, 252314}, {"", ""}}, {296.2716, 13.837235, "Meta"} -> 
    {{1229879, 1530470, 1400188}, {"10-methylene-octadecanoic acid [ C19 H36 \
O2, db=78.33, overall=39.16, Lipid ID=, KEGG ID= ]", ""}}, 
   {595.554, 13.834362, "Meta"} -> {{401013, 441573, 461850}, {"", ""}}, 
   {331.3083, 13.839138, "Meta"} -> {{17780, 37708, 1}, {"", ""}}, 
   {1648.0614, 13.838582, "Meta"} -> {{48249, 1, 1}, {"", ""}}, 
   {314.2819, 13.838939, "Meta"} -> {{1, 869740, 783521}, 
     {"2-hydroxy-nonadecanoic acid [ C19 H38 O3, db=79.99, overall=40.00, \
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    {{41715, 52933, 44287}, {"", ""}}, {550.5438, 13.840639, "Meta"} -> 
    {{329777, 250015, 279612}, {"", ""}}, {345.3232, 13.839605, "Meta"} -> 
    {{1, 14645, 13104}, {"", ""}}, {351.3135, 13.836865, "Meta"} -> 
    {{54395, 25394, 76530}, {"Anandamide (20:2, n-6) [ C22 H41 N O2, \
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   {589.5048, 13.843435, "Meta"} -> {{161349, 145154, 163822}, {"", ""}}, 
   {593.5384, 13.859751, "Meta"} -> {{68111, 75393, 87953}, {"", ""}}, 
   {486.3916, 13.846743, "Meta"} -> {{34833, 33026, 23473}, {"", ""}}, 
   {269.2717, 13.850058, "Meta"} -> {{363204, 321019, 334297}, {"", ""}}, 
   {958.5066, 13.858265, "Meta"} -> {{128619, 142271, 141833}, {"", ""}}, 
   {312.2662, 13.867914, "Meta"} -> {{600046, 813839, 893657}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=84.87, overall=42.44, Lipid \
ID=, KEGG ID= ]", ""}}, {376.1632, 13.867001, "Meta"} -> 
    {{145992, 154087, 133400}, {"", ""}}, {875.5037, 13.871608, "Meta"} -> 
    {{166835, 163769, 1}, {"", ""}}, {807.4806, 13.867861, "Meta"} -> 
    {{1886857, 1776858, 1684725}, {"", ""}}, {268.2402, 13.870259, "Meta"} -> 
    {{32457, 55517, 50915}, {"9-heptadecylenic acid [ C17 H32 O2, db=81.99, \
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   {360.1681, 13.864379, "Meta"} -> {{73032, 58999, 58052}, 
     {"Leu Asn Asp [ C14 H24 N4 O7, db=34.15, overall=17.08 ]", ""}}, 
   {914.4793, 13.871298, "Meta"} -> {{1, 44953, 40682}, {"", ""}}, 
   {418.1739, 13.870945, "Meta"} -> {{93306, 78164, 70498}, 
     {"Nimodipine [ C21 H26 N2 O7, db=61.54, overall=30.77, KEGG ID=C07267, \
CAS ID=66085-59-4 ]", "66085-59-4"}}, {662.2484, 13.876678, "Meta"} -> 
    {{50861, 49069, 23091}, {"", ""}}, {1103.5966, 13.872333, "Meta"} -> 
    {{1, 2208888, 1971817}, {"", ""}}, {346.1531, 13.871804, "Meta"} -> 
    {{640429, 227070, 566288}, {"", ""}}, {390.1788, 13.869486, "Meta"} -> 
    {{364392, 382604, 351421}, 
     {"Asp Lys Glu [ C15 H26 N4 O8, db=62.57, overall=31.29 ]", ""}}, 
   {1153.6309, 13.874, "Meta"} -> {{345822, 383044, 321810}, {"", ""}}, 
   {328.1421, 13.873054, "Meta"} -> {{292501, 261406, 256746}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=67.54, overall=33.77 ]", ""}}, 
   {357.3227, 13.877501, "Meta"} -> {{52364, 69784, 76243}, {"", ""}}, 
   {294.0996, 13.875195, "Meta"} -> {{124028, 122195, 107796}, {"", ""}}, 
   {1135.623, 13.873161, "Meta"} -> {{237606, 255323, 247966}, {"", ""}}, 
   {239.1157, 13.8723, "Meta"} -> {{22757, 23124, 20972}, {"", ""}}, 
   {1189.6305, 13.875001, "Meta"} -> {{31680, 43007, 450089}, {"", ""}}, 
   {420.1898, 13.874806, "Meta"} -> {{19430, 20534, 16147}, 
     {"Gln His His [ C17 H24 N8 O5, db=42.13, overall=21.06 ]", ""}}, 
   {670.265, 13.873167, "Meta"} -> {{45135, 40434, 40437}, {"", ""}}, 
   {580.2324, 13.874638, "Meta"} -> {{5238284, 4828975, 4251778}, {"", ""}}, 
   {640.2526, 13.874076, "Meta"} -> {{138455, 44537, 120397}, {"", ""}}, 
   {612.2593, 13.875, "Meta"} -> {{3877908, 3618382, 3324777}, {"", ""}}, 
   {644.284, 13.875222, "Meta"} -> {{8296054, 8389439, 7534088}, {"", ""}}, 
   {1180.491, 13.877401, "Meta"} -> {{1, 1, 32242}, {"", ""}}, 
   {1254.532, 13.877502, "Meta"} -> {{18843, 1, 15132}, {"", ""}}, 
   {864.3481, 13.876028, "Meta"} -> {{146357, 136672, 122701}, {"", ""}}, 
   {282.1003, 13.8762245, "Meta"} -> {{619296, 555801, 525121}, {"", ""}}, 
   {706.3213, 13.875223, "Meta"} -> {{521797, 490942, 467513}, {"", ""}}, 
   {1242.5096, 13.876581, "Meta"} -> {{50697, 33317, 36638}, {"", ""}}, 
   {582.2468, 13.8751, "Meta"} -> {{6045151, 5716122, 6407484}, 
     {"Biliverdin IX [ C33 H34 N4 O6, db=45.81, overall=22.91, HMP \
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   {896.3746, 13.876728, "Meta"} -> {{204507, 181530, 151058}, {"", ""}}, 
   {720.3007, 13.875195, "Meta"} -> {{326544, 302135, 266585}, {"", ""}}, 
   {908.3734, 13.876348, "Meta"} -> {{88039, 83127, 1}, {"", ""}}, 
   {636.1519, 13.87985, "Meta"} -> {{51331, 54682, 53148}, {"", ""}}, 
   {943.4197, 13.876037, "Meta"} -> {{113687, 107065, 1}, {"", ""}}, 
   {1192.4886, 13.875974, "Meta"} -> {{816347, 755862, 156519}, {"", ""}}, 
   {1226.5306, 13.877594, "Meta"} -> {{250553, 227159, 189111}, {"", ""}}, 
   {314.1267, 13.875557, "Meta"} -> {{733824, 694179, 656134}, {"", ""}}, 
   {748.2959, 13.87564, "Meta"} -> {{141021, 107390, 95166}, {"", ""}}, 
   {734.3167, 13.875916, "Meta"} -> {{940141, 875819, 767102}, {"", ""}}, 
   {970.4116, 13.876899, "Meta"} -> {{102849, 34921, 30322}, {"", ""}}, 
   {867.3674, 13.8762865, "Meta"} -> {{280010, 254609, 212273}, {"", ""}}, 
   {926.3857, 13.876266, "Meta"} -> {{173522, 163550, 130126}, {"", ""}}, 
   {583.2517, 13.87564, "Meta"} -> {{3909111, 3580937, 2396903}, {"", ""}}, 
   {956.396, 13.876835, "Meta"} -> {{101002, 75361, 70213}, {"", ""}}, 
   {676.308, 13.876473, "Meta"} -> {{116879, 133127, 134732}, {"", ""}}, 
   {929.4038, 13.876501, "Meta"} -> {{117114, 102603, 94230}, {"", ""}}, 
   {672.2801, 13.875572, "Meta"} -> {{2144338, 2064663, 1852047}, {"", ""}}, 
   {493.2209, 13.875945, "Meta"} -> {{299672, 273133, 264273}, {"", ""}}, 
   {658.2643, 13.874903, "Meta"} -> {{429330, 353233, 324311}, {"", ""}}, 
   {1151.4832, 13.877482, "Meta"} -> {{42826, 37023, 1}, {"", ""}}, 
   {961.4299, 13.877784, "Meta"} -> {{34138, 28270, 23024}, {"", ""}}, 
   {912.4054, 13.877669, "Meta"} -> {{418609, 375635, 1}, {"", ""}}, 
   {762.3116, 13.876194, "Meta"} -> {{456460, 389472, 323422}, {"", ""}}, 
   {975.4451, 13.8780365, "Meta"} -> {{63296, 1, 1}, {"", ""}}, 
   {509.216, 13.87594, "Meta"} -> {{53582, 59789, 56283}, {"", ""}}, 
   {491.2056, 13.876723, "Meta"} -> {{290483, 276544, 291612}, 
     {"Tyr Phe Tyr [ C27 H29 N3 O6, db=65.06, overall=32.53 ]", ""}}, 
   {881.3826, 13.877259, "Meta"} -> {{47296, 42449, 36339}, {"", ""}}, 
   {1193.664, 13.879387, "Meta"} -> {{264778, 265674, 260577}, {"", ""}}, 
   {582.7497, 13.876502, "Meta"} -> {{534919, 249604, 200408}, {"", ""}}, 
   {495.208, 13.876967, "Meta"} -> {{48220, 39687, 42589}, 
     {"Trp Tyr Gln [ C25 H29 N5 O6, db=56.92, overall=28.46 ]", ""}}, 
   {616.2538, 13.877678, "Meta"} -> {{121910, 110924, 104297}, {"", ""}}, 
   {479.205, 13.876445, "Meta"} -> {{72461, 98784, 69366}, 
     {"Nicardipine [ C26 H29 N3 O6, db=70.81, overall=35.41, KEGG ID=C07264, \
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    {{18326, 20172, 17052}, {"", ""}}, {567.2211, 13.876649, "Meta"} -> 
    {{158485, 139321, 157391}, {"", ""}}, {644.7861, 13.877095, "Meta"} -> 
    {{26208, 24038, 21025}, {"", ""}}, {461.195, 13.876152, "Meta"} -> 
    {{31408, 31965, 1}, 
     {"Gln Trp Glu [ C21 H27 N5 O7, db=34.78, overall=17.39 ]", ""}}, 
   {298.1317, 13.878472, "Meta"} -> {{708426, 612928, 551870}, {"", ""}}, 
   {352.1394, 13.880392, "Meta"} -> {{38122, 33787, 30819}, 
     {"Asn Tyr Gly [ C15 H20 N4 O6, db=68.82, overall=34.41 ]", ""}}, 
   {284.1158, 13.879252, "Meta"} -> {{371068, 301541, 290435}, {"", ""}}, 
   {477.1898, 13.879307, "Meta"} -> {{176182, 172591, 159757}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=74.18, overall=37.09, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {833.4963, 13.885234, "Meta"} -> 
    {{282508, 300600, 279555}, {"", ""}}, {1045.5562, 13.8920965, "Meta"} -> 
    {{24518, 29780, 79529}, {"", ""}}, {1095.5912, 13.892453, "Meta"} -> 
    {{34909, 48761, 48765}, {"", ""}}, {1048.5735, 13.892926, "Meta"} -> 
    {{46482, 64858, 59614}, {"", ""}}, {779.4516, 13.885543, "Meta"} -> 
    {{54249, 105819, 77247}, {"", ""}}, {918.6492, 13.8966, "Meta"} -> 
    {{367349, 43363, 349353}, {"", ""}}, {935.6756, 13.895752, "Meta"} -> 
    {{325555, 305333, 316871}, {"", ""}}, {891.6496, 13.895306, "Meta"} -> 
    {{230836, 228671, 238424}, {"C24 Sulfatide [ C48 H93 N O11 S, db=88.42, \
overall=44.21, Lipid ID=LMSP06020013, KEGG ID= ]", ""}}, 
   {749.4387, 13.89454, "Meta"} -> {{1, 50203, 31037}, {"", ""}}, 
   {830.5967, 13.895909, "Meta"} -> {{20083, 182119, 167752}, {"", ""}}, 
   {847.6232, 13.896607, "Meta"} -> {{1, 1, 137288}, {"", ""}}, 
   {979.702, 13.896585, "Meta"} -> {{390121, 376315, 413133}, {"", ""}}, 
   {1050.7274, 13.9000435, "Meta"} -> {{546967, 56893, 51956}, {"", ""}}, 
   {1028.6847, 13.898851, "Meta"} -> {{1, 508796, 565425}, {"", ""}}, 
   {984.6579, 13.897518, "Meta"} -> {{481184, 409808, 406600}, {"", ""}}, 
   {1023.7278, 13.898656, "Meta"} -> {{430455, 400490, 433121}, {"", ""}}, 
   {962.6753, 13.896331, "Meta"} -> {{60473, 61337, 67533}, {"", ""}}, 
   {803.597, 13.898972, "Meta"} -> {{70605, 79326, 88128}, {"", ""}}, 
   {1006.7014, 13.900152, "Meta"} -> {{296068, 38600, 49794}, {"", ""}}, 
   {1067.7542, 13.901264, "Meta"} -> {{391254, 415329, 1}, {"", ""}}, 
   {1094.7538, 13.901059, "Meta"} -> {{445818, 62479, 424708}, {"", ""}}, 
   {465.3222, 13.902696, "Meta"} -> {{1817139, 3148823, 2879083}, {"", ""}}, 
   {1138.7803, 13.90453, "Meta"} -> {{41242, 35969, 380620}, {"", ""}}, 
   {478.8288, 13.901231, "Meta"} -> {{27102, 25283, 26781}, {"", ""}}, 
   {996.7292, 13.904589, "Meta"} -> {{1, 45724, 52050}, 
     {"TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,\
13Z,16Z,19Z))[iso3] [ C67 H96 O6, db=48.00, overall=24.00, Lipid \
ID=LMGL03012576, KEGG ID= ]", ""}}, {1160.7618, 13.905588, "Meta"} -> 
    {{440457, 84324, 1}, {"", ""}}, {503.2691, 13.903366, "Meta"} -> 
    {{66917, 84092, 82797}, {"", ""}}, {522.8552, 13.904035, "Meta"} -> 
    {{108568, 103692, 100497}, {"", ""}}, {1001.6842, 13.904192, "Meta"} -> 
    {{88477, 85182, 82825}, {"", ""}}, {511.8639, 13.905617, "Meta"} -> 
    {{1, 27367, 26350}, {"", ""}}, {544.8687, 13.907429, "Meta"} -> 
    {{111436, 124354, 127311}, {"", ""}}, {489.8508, 13.903928, "Meta"} -> 
    {{1, 1, 15605}, {"", ""}}, {1050.6691, 13.904042, "Meta"} -> 
    {{81195, 1, 1}, {"", ""}}, {1040.753, 13.906883, "Meta"} -> 
    {{1, 66652, 84698}, {"", ""}}, {549.3798, 13.901501, "Meta"} -> 
    {{2684767, 2684759, 3533801}, {"", ""}}, {555.8901, 13.907157, "Meta"} -> 
    {{830020, 837780, 53118}, {"", ""}}, {1248.8145, 13.916356, "Meta"} -> 
    {{287086, 1, 276624}, {"", ""}}, {591.8776, 13.913758, "Meta"} -> 
    {{56299, 1, 49649}, {"", ""}}, {591.3753, 13.914109, "Meta"} -> 
    {{121409, 1, 101285}, {"", ""}}, {1172.8337, 13.914706, "Meta"} -> 
    {{206468, 196533, 241998}, {"", ""}}, {643.9424, 13.918862, "Meta"} -> 
    {{401398, 389059, 413957}, {"", ""}}, {1243.8593, 13.917862, "Meta"} -> 
    {{732247, 721223, 765149}, {"", ""}}, {1216.8606, 13.917243, "Meta"} -> 
    {{228520, 211796, 275955}, {"", ""}}, {1292.8436, 13.918814, "Meta"} -> 
    {{451068, 250591, 407981}, {"", ""}}, {482.3011, 13.906962, "Meta"} -> 
    {{281180, 75239, 1}, {"", ""}}, {1260.8875, 13.921888, "Meta"} -> 
    {{290142, 263465, 302395}, {"", ""}}, {1336.8698, 13.9245, "Meta"} -> 
    {{194188, 366646, 377912}, {"Ganglioside GA1 (d18:1/24:1(15Z)) [ C68 H124 \
N2 O23, db=60.87, overall=30.44, HMP ID=HMDB04906, KEGG ID= ]", ""}}, 
   {1304.9122, 13.925807, "Meta"} -> {{1, 1, 304647}, {"", ""}}, 
   {1309.8685, 13.923631, "Meta"} -> {{396493, 1, 384073}, {"", ""}}, 
   {1331.9117, 13.925688, "Meta"} -> {{620579, 600774, 659502}, {"", ""}}, 
   {1066.7665, 13.906301, "Meta"} -> {{1, 178909, 1}, {"", ""}}, 
   {1348.9387, 13.928513, "Meta"} -> {{265591, 258275, 318280}, {"", ""}}, 
   {1380.8955, 13.928842, "Meta"} -> {{350528, 321366, 311404}, {"", ""}}, 
   {442.2608, 13.933564, "Meta"} -> {{253614, 165205, 175434}, {"", ""}}, 
   {1375.9377, 13.930394, "Meta"} -> {{547635, 549549, 555269}, {"", ""}}, 
   {1392.9644, 13.933, "Meta"} -> {{238670, 218918, 263864}, {"", ""}}, 
   {1424.9208, 13.932688, "Meta"} -> {{79108, 288184, 81673}, {"", ""}}, 
   {1419.9648, 13.935295, "Meta"} -> {{69182, 475851, 481455}, {"", ""}}, 
   {344.2923, 13.939112, "Meta"} -> {{7451898, 4997803, 5457593}, 
     {"1-heptadecanoyl-rac-glycerol [ C20 H40 O4, db=98.52, overall=49.26, \
KEGG ID=, CAS ID=68002-72-2 ]", "68002-72-2"}}, 
   {1468.948, 13.937098, "Meta"} -> {{1, 76220, 51787}, {"", ""}}, 
   {1436.9904, 13.938028, "Meta"} -> {{227908, 220276, 279354}, {"", ""}}, 
   {1463.9899, 13.9394865, "Meta"} -> {{48181, 406711, 46249}, {"", ""}}, 
   {466.3654, 13.941461, "Meta"} -> {{388358, 361485, 1}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=76.50, overall=38.25, \
Lipid ID=LMST01030128, KEGG ID= ]", ""}}, {1481.017, 13.942124, "Meta"} -> 
    {{224301, 214501, 1}, {"", ""}}, {1508.0137, 13.944414, "Meta"} -> 
    {{1, 1, 27589}, {"", ""}}, {222.1615, 13.993, "Meta"} -> 
    {{56435, 44637, 51365}, {"", ""}}, {1529.9991, 13.944249, "Meta"} -> 
    {{293171, 281960, 258635}, {"", ""}}, {283.2872, 13.950055, "Meta"} -> 
    {{338612, 321400, 244718}, {"Stearamide [ C18 H37 N O, db=99.52, \
overall=49.76, KEGG ID=, CAS ID=124-26-5 ]", "124-26-5"}}, 
   {1525.0424, 13.947517, "Meta"} -> {{195880, 192118, 209951}, {"", ""}}, 
   {386.1755, 13.956785, "Meta"} -> {{17605, 1, 1}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=50.71, overall=25.36 ]", ""}}, 
   {1623.0092, 13.9477415, "Meta"} -> {{68665, 82039, 76568}, {"", ""}}, 
   {428.2901, 13.938, "Meta"} -> {{151478, 170729, 192667}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=61.60, \
overall=30.80, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {1618.051, 13.949916, "Meta"} -> {{196008, 169909, 194043}, {"", ""}}, 
   {1569.0697, 13.946124, "Meta"} -> {{15314, 1, 1}, {"", ""}}, 
   {467.3376, 13.954553, "Meta"} -> {{152502, 251702, 280816}, {"", ""}}, 
   {347.2825, 13.963371, "Meta"} -> {{257116, 176629, 286521}, 
     {"(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide [ C22 \
H37 N O2, db=98.13, overall=49.07, KEGG ID=, CAS ID= ]", ""}}, 
   {330.2557, 13.959749, "Meta"} -> {{1, 410152, 1}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=84.17, \
overall=42.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {1662.0767, 13.946449, "Meta"} -> {{147104, 144929, 1}, {"", ""}}, 
   {510.3319, 13.973654, "Meta"} -> {{1, 1, 1}, {"11-(3-acetoxy-1-propynyl)-1\
alpha,25-dihydroxy-9,11-didehydrovitamin D3 / 11-(3-acetoxy-1-propynyl)-1 [ \
C32 H46 O5, db=44.65, overall=22.33, Lipid ID=LMST03020511, KEGG ID= ]", 
      ""}}, {452.3502, 13.976595, "Meta"} -> {{107161, 1, 118590}, 
     {"5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol [ C27 H48 O5, \
db=62.10, overall=31.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {1657.1215, 13.958542, "Meta"} -> {{1, 79028, 1}, {"", ""}}, 
   {1750.128, 13.9647875, "Meta"} -> {{74810, 75206, 61928}, {"", ""}}, 
   {220.146, 13.986333, "Meta"} -> {{114363, 1, 60526}, {"", ""}}, 
   {329.2933, 13.898458, "Meta"} -> {{289538, 274328, 1}, {"", ""}}, 
   {460.3175, 13.9654, "Meta"} -> {{1, 106336, 105759}, 
     {"(24R)-1alpha,24,25,26-tetrahydroxyvitamin D2 / \
(24R)-1alpha,24,25,26-tetrahydroxyergocalciferol [ C28 H44 O5, db=68.24, \
overall=34.12, Lipid ID=LMST03010054, KEGG ID= ]", ""}}, 
   {1745.1743, 13.967287, "Meta"} -> {{1, 1, 91433}, {"", ""}}, 
   {1701.1473, 13.966741, "Meta"} -> {{79305, 1, 1}, {"", ""}}, 
   {402.2765, 13.957289, "Meta"} -> {{18871, 13184, 27118}, 
     {"1alpha-hydroxy-26,27-dinorvitamin D3 25-carboxylic acid / \
1alpha-hydroxy-26,27-dinorcholecalciferol [ C25 H38 O4, db=52.81, \
overall=26.41, Lipid ID=LMST03020025, KEGG ID= ]", ""}}, 
   {440.3505, 13.985816, "Meta"} -> {{392132, 1, 356095}, {"", ""}}, 
   {484.3164, 13.975783, "Meta"} -> {{163545, 1, 180931}, {"", ""}}, 
   {653.3246, 13.973182, "Meta"} -> {{59463, 37449, 51213}, {"", ""}}, 
   {334.2482, 13.893001, "Meta"} -> {{952729, 1169425, 1147753}, 
     {"Tetrahydrodeoxycorticosterone [ C21 H34 O3, db=65.74, overall=32.87, \
HMP ID=HMDB00879, KEGG ID= ]", ""}}, {1319.1475, 13.976606, "Meta"} -> 
    {{21828, 21726, 21504}, {"", ""}}, {386.3394, 13.973793, "Meta"} -> 
    {{1, 1, 190822}, {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=89.09, \
overall=44.55, KEGG ID=, CAS ID= ]", ""}}, {831.6982, 13.975789, "Meta"} -> 
    {{29096, 23339, 19032}, {"", ""}}, {806.668, 13.976223, "Meta"} -> 
    {{322975, 266594, 253761}, {"", ""}}, {866.6982, 13.981547, "Meta"} -> 
    {{16125, 1, 17718}, {"", ""}}, {354.2087, 13.977749, "Meta"} -> 
    {{461059, 423018, 387009}, {"", ""}}, {224.1773, 13.974033, "Meta"} -> 
    {{17475, 1, 15740}, {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=68.79, \
overall=34.39, Lipid ID=, KEGG ID= ]", ""}}, {270.2557, 13.976111, "Meta"} -> 
    {{589191, 545056, 551107}, {"10-methyl-hexadecanoic acid [ C17 H34 O2, \
db=99.62, overall=49.81, Lipid ID=, KEGG ID= ]", ""}}, 
   {1062.9073, 13.976445, "Meta"} -> {{53203, 52709, 47374}, {"", ""}}, 
   {597.4186, 13.975773, "Meta"} -> {{83079, 1, 47679}, {"", ""}}, 
   {238.2292, 13.975834, "Meta"} -> {{332860, 299063, 309935}, 
     {"cis-11-Hexadecenal [ C16 H30 O, db=98.78, overall=49.39, KEGG ID=, CAS \
ID=53939-28-9 ]", "53939-28-9"}}, {256.2401, 13.976223, "Meta"} -> 
    {{1553726, 1460400, 1352481}, {"2-propyl-tridecanoic acid [ C16 H32 O2, \
db=86.75, overall=43.37, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2322, 13.97861, "Meta"} -> {{223663, 199359, 204394}, {"", ""}}, 
   {386.2337, 13.980557, "Meta"} -> {{21365, 21371, 18483}, 
     {"1-tridecanoyl-sn-glycero-3-phosphate [ C16 H37 N O7 P, db=38.62, \
overall=19.31, KEGG ID=, CAS ID= ]", ""}}, {568.3997, 13.977068, "Meta"} -> 
    {{50463, 60837, 58422}, {"1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phospha\
te (ammonium salt) [ C28 H59 N O8 P, db=52.38, overall=26.19, KEGG ID=, CAS \
ID= ]", ""}}, {374.1813, 13.978594, "Meta"} -> {{62140, 26997, 22563}, 
     {"Glu Asn Leu [ C15 H26 N4 O7, db=57.08, overall=28.54 ]", ""}}, 
   {401.2, 13.978515, "Meta"} -> {{153629, 133261, 103546}, {"", ""}}, 
   {429.2065, 13.981425, "Meta"} -> {{51858, 49124, 39960}, {"", ""}}, 
   {444.2765, 13.977774, "Meta"} -> {{50900, 56199, 65207}, {"", ""}}, 
   {610.4531, 13.979807, "Meta"} -> {{266795, 233801, 234323}, {"", ""}}, 
   {897.0775, 13.963102, "Meta"} -> {{34239, 28437, 28484}, {"", ""}}, 
   {420.3661, 13.976656, "Meta"} -> {{34628, 1, 22947}, {"", ""}}, 
   {294.1873, 13.977543, "Meta"} -> {{49091, 46429, 47393}, 
     {"Sodium tetradecyl sulfate [ C14 H30 O4 S, db=82.16, overall=41.08, \
KEGG ID=, CAS ID=139-88-8 ]", "139-88-8"}}, {556.3739, 13.973735, "Meta"} -> 
    {{1, 184038, 164886}, {"", ""}}, {540.3787, 13.981038, "Meta"} -> 
    {{135782, 142299, 101934}, {"", ""}}, {500.3862, 13.978946, "Meta"} -> 
    {{135708, 160422, 145748}, {"", ""}}, {1838.1816, 13.978887, "Meta"} -> 
    {{1, 1, 56536}, {"", ""}}, {273.2666, 13.976639, "Meta"} -> 
    {{83167, 81164, 98247}, {"C16 Sphinganine [ C16 H35 N O2, db=89.23, \
overall=44.61, Lipid ID=LMSP01040001, KEGG ID= ]", ""}}, 
   {370.2578, 13.982139, "Meta"} -> {{74674, 67913, 71908}, {"", ""}}, 
   {470.3612, 13.984445, "Meta"} -> {{62826, 51597, 50740}, {"", ""}}, 
   {307.287, 13.978666, "Meta"} -> {{441546, 297039, 514952}, {"", ""}}, 
   {369.1855, 13.979225, "Meta"} -> {{1, 58930, 44245}, {"", ""}}, 
   {520.4126, 13.9819145, "Meta"} -> {{369889, 318019, 344102}, {"", ""}}, 
   {560.4047, 13.986311, "Meta"} -> {{197296, 158679, 132883}, {"", ""}}, 
   {685.3513, 13.989969, "Meta"} -> {{21368, 27549, 36686}, {"", ""}}, 
   {600.436, 13.992064, "Meta"} -> {{1, 1, 47226}, {"", ""}}, 
   {276.2085, 13.992001, "Meta"} -> {{42350, 40668, 35878}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=76.40, overall=38.20, Lipid \
ID=, KEGG ID= ]", ""}}, {294.2182, 13.990687, "Meta"} -> 
    {{47416, 41924, 43341}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, \
db=70.71, overall=35.35, Lipid ID=, KEGG ID= ]", ""}}, 
   {486.3319, 13.971826, "Meta"} -> {{261395, 1, 22154}, {"", ""}}, 
   {1764.1438, 14.027258, "Meta"} -> {{61953, 51101, 1}, {"", ""}}, 
   {306.2556, 13.999083, "Meta"} -> {{358620, 405025, 342249}, 
     {"ETrE(11Z, 14Z, 17Z) [ C20 H34 O2, db=67.35, overall=33.67, Lipid \
ID=LMFA01030378, KEGG ID= ]", ""}}, {507.3694, 13.993544, "Meta"} -> 
    {{1809375, 2852384, 2916712}, {"", ""}}, {323.2821, 13.996278, "Meta"} -> 
    {{156724, 159872, 170327}, {"(9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-die\
namide [ C20 H37 N O2, db=99.15, overall=49.57, KEGG ID=, CAS ID= ]", ""}}, 
   {490.3655, 14.002969, "Meta"} -> {{1015551, 851488, 1}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=61.55, \
overall=30.77, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {362.1752, 14.002638, "Meta"} -> {{32257, 33786, 24889}, 
     {"Met Gly Arg [ C13 H26 N6 O4 S, db=56.03, overall=28.02 ]", ""}}, 
   {360.2646, 14.006222, "Meta"} -> {{36300, 47206, 54737}, 
     {"1alpha,23-dihydroxy-24,25,26,27-tetranorvitamin D3 / \
1alpha,23-dihydroxy-24,25,26,27-tetranorcholeca [ C23 H36 O3, db=49.92, \
overall=24.96, Lipid ID=LMST03020020, KEGG ID= ]", ""}}, 
   {627.5055, 14.012999, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {388.2586, 14.0047655, "Meta"} -> {{1, 18867, 19487}, 
     {"7,12-Dioxo-5beta-cholan-24-oic Acid [ C24 H36 O4, db=55.81, \
overall=27.91, Lipid ID=, KEGG ID= ]", ""}}, {472.3551, 13.985233, "Meta"} -> 
    {{48069, 43989, 48142}, {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehyd\
ro-23-oxavitamin D3 / 26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=61.77, \
overall=30.89, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {420.3237, 13.996353, "Meta"} -> {{79362, 89107, 217345}, 
     {"1alpha,2alpha,25-trihydroxy-19-norvitamin D3 / \
1alpha,2alpha,25-trihydroxy-19-norcholecalciferolchol [ C26 H44 O4, db=77.07, \
overall=38.53, Lipid ID=LMST03020547, KEGG ID= ]", ""}}, 
   {512.3477, 14.046452, "Meta"} -> {{1, 105420, 558012}, 
     {"ZK 159222 [ C32 H48 O5, db=50.94, overall=25.47, Lipid \
ID=LMST03020621, KEGG ID= ]", ""}}, {545.3171, 14.010888, "Meta"} -> 
    {{33664, 43984, 33381}, {"", ""}}, {469.2862, 14.021042, "Meta"} -> 
    {{40308, 34624, 31755}, {"", ""}}, {259.2508, 14.031133, "Meta"} -> 
    {{26057, 42472, 44690}, {"", ""}}, {242.2245, 14.033613, "Meta"} -> 
    {{507812, 747359, 680706}, {"Isopentadecylic acid [ C15 H30 O2, db=99.40, \
overall=49.70, KEGG ID=, CAS ID= ]", ""}}, {295.2873, 14.061223, "Meta"} -> 
    {{460804, 248158, 418482}, {"", ""}}, {408.1761, 14.037353, "Meta"} -> 
    {{5597022, 83792, 1263595}, 
     {"Trp Gly Phe [ C22 H24 N4 O4, db=41.37, overall=20.69 ]", ""}}, 
   {298.2508, 14.035623, "Meta"} -> {{1, 1, 1}, {"8R-hydroxy-9Z-octadecenoic \
acid [ C18 H34 O3, db=71.18, overall=35.59, Lipid ID=, KEGG ID= ]", ""}}, 
   {454.3265, 13.978308, "Meta"} -> {{1, 1, 1}, {"GPCho(O-7:0/O-7:0) [ C22 \
H49 N O6 P, db=80.05, overall=40.03, Lipid ID=LMGP01040080, KEGG ID= ]", 
      ""}}, {449.3718, 14.041364, "Meta"} -> {{1486206, 1154179, 1557611}, 
     {"", ""}}, {171.108, 14.037002, "Meta"} -> {{603288, 1, 191598}, 
     {"", ""}}, {353.3292, 14.065957, "Meta"} -> {{94804, 24638, 100342}, 
     {"(Z)-N-(2-hydroxyethyl)icos-11-enamide [ C22 H43 N O2, db=53.55, \
overall=26.77, KEGG ID=, CAS ID= ]", ""}}, {358.3083, 14.061032, "Meta"} -> 
    {{4404324, 3175168, 1.06*^7}, {"1-octadecanoyl-rac-glycerol [ C21 H42 O4, \
db=91.49, overall=45.75, KEGG ID=, CAS ID= ]", ""}}, 
   {534.3899, 14.062283, "Meta"} -> {{1513668, 1031096, 933841}, {"", ""}}, 
   {1218.8057, 14.057057, "Meta"} -> {{456590, 443623, 232030}, {"", ""}}, 
   {642.91, 14.060259, "Meta"} -> {{70721, 76973, 1}, {"", ""}}, 
   {1186.8503, 14.059189, "Meta"} -> {{1, 1, 394791}, {"", ""}}, 
   {1103.753, 14.057482, "Meta"} -> {{123755, 168071, 198359}, {"", ""}}, 
   {1169.8226, 14.057669, "Meta"} -> {{634041, 669437, 702307}, {"", ""}}, 
   {1262.8317, 14.057412, "Meta"} -> {{252153, 236970, 183531}, 
     {"Ganglioside GM3 (d18:1/24:1(15Z)) [ C65 H118 N2 O21, db=64.86, \
overall=32.43, HMP ID=HMDB04848, KEGG ID= ]", ""}}, 
   {1152.795, 14.05788, "Meta"} -> {{1, 27321, 1}, {"", ""}}, 
   {1064.743, 14.0559025, "Meta"} -> {{311739, 33620, 1}, {"", ""}}, 
   {1213.8492, 14.058307, "Meta"} -> {{347813, 356049, 789895}, {"", ""}}, 
   {1020.7168, 14.055375, "Meta"} -> {{37661, 247490, 1}, {"", ""}}, 
   {507.8499, 14.0589695, "Meta"} -> {{1, 36420, 39069}, {"", ""}}, 
   {1125.7968, 14.0580015, "Meta"} -> {{622051, 664753, 730502}, {"", ""}}, 
   {1108.7697, 14.056641, "Meta"} -> {{317715, 26937, 1}, {"", ""}}, 
   {485.8368, 14.06136, "Meta"} -> {{1, 14168, 1}, {"", ""}}, 
   {1230.8765, 14.069205, "Meta"} -> {{177162, 264655, 342119}, {"", ""}}, 
   {1306.8593, 14.060386, "Meta"} -> {{466150, 146691, 414637}, {"", ""}}, 
   {1318.9282, 14.062551, "Meta"} -> {{311198, 322548, 438143}, {"", ""}}, 
   {1257.8752, 14.0591755, "Meta"} -> {{719456, 752111, 844061}, {"", ""}}, 
   {1037.7437, 14.060363, "Meta"} -> {{233081, 253789, 323867}, {"", ""}}, 
   {1054.7722, 14.059851, "Meta"} -> {{55066, 1, 79312}, {"", ""}}, 
   {1350.8864, 14.060532, "Meta"} -> {{139892, 439605, 348231}, {"", ""}}, 
   {1362.9545, 14.064612, "Meta"} -> {{286357, 1, 1}, {"", ""}}, 
   {1389.9536, 14.06309, "Meta"} -> {{90904, 93142, 698306}, {"", ""}}, 
   {1142.8239, 14.061389, "Meta"} -> {{170987, 163429, 258545}, {"", ""}}, 
   {976.6912, 14.068707, "Meta"} -> {{227167, 231343, 199991}, {"", ""}}, 
   {422.375, 14.068999, "Meta"} -> {{25460, 24285, 21994}, {"", ""}}, 
   {993.7174, 14.063914, "Meta"} -> {{197675, 222488, 1}, {"", ""}}, 
   {1438.9374, 14.065999, "Meta"} -> {{340656, 340415, 65226}, {"", ""}}, 
   {1433.9799, 14.066055, "Meta"} -> {{574989, 591684, 134176}, {"", ""}}, 
   {949.6916, 14.066196, "Meta"} -> {{150013, 152205, 178525}, {"", ""}}, 
   {1451.0062, 14.068264, "Meta"} -> {{271523, 229837, 1}, {"", ""}}, 
   {932.6646, 14.065879, "Meta"} -> {{204254, 194977, 1}, {"", ""}}, 
   {470.2924, 14.073814, "Meta"} -> {{93311, 1, 1}, {"", ""}}, 
   {905.6649, 14.069608, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1522.0323, 14.071529, "Meta"} -> {{508198, 513236, 79045}, {"", ""}}, 
   {888.6409, 14.076768, "Meta"} -> {{1, 134266, 1}, {"", ""}}, 
   {1482.9642, 14.067459, "Meta"} -> {{53264, 45879, 46102}, {"", ""}}, 
   {1174.7784, 14.05864, "Meta"} -> {{250384, 467798, 270002}, {"", ""}}, 
   {1526.9904, 14.071257, "Meta"} -> {{262465, 239567, 1}, {"", ""}}, 
   {1495.0323, 14.071646, "Meta"} -> {{278448, 276734, 1}, {"", ""}}, 
   {861.6387, 14.075389, "Meta"} -> {{67822, 54987, 62756}, {"", ""}}, 
   {405.3454, 14.078472, "Meta"} -> {{420429, 158475, 198054}, {"", ""}}, 
   {316.2402, 14.079582, "Meta"} -> {{2233992, 4451483, 1626577}, 
     {"pregnenolone [ C21 H32 O2, db=98.88, overall=49.44, KEGG ID=, CAS \
ID=1852-38-6 ]", "1852-38-6"}}, {376.2724, 14.080198, "Meta"} -> 
    {{450895, 906456, 705466}, {"", ""}}, {284.2138, 14.07936, "Meta"} -> 
    {{53581, 106614, 101909}, {"11-cis-Retinaldehyde [ C20 H28 O, db=83.12, \
overall=41.56, HMP ID=HMDB02152, KEGG ID= ]", ""}}, 
   {333.2666, 14.079747, "Meta"} -> {{1712321, 3683483, 3736864}, {"", ""}}, 
   {805.0406, 14.07626, "Meta"} -> {{27606, 38188, 1}, {"", ""}}, 
   {529.4339, 14.081344, "Meta"} -> {{45764, 38485, 42735}, {"", ""}}, 
   {1632.0676, 14.078387, "Meta"} -> {{335545, 293174, 262976}, {"", ""}}, 
   {1583.085, 14.078301, "Meta"} -> {{1, 277247, 1}, {"", ""}}, 
   {1627.1108, 14.078733, "Meta"} -> {{1, 161369, 254581}, {"", ""}}, 
   {1676.0933, 14.06074, "Meta"} -> {{61561, 200942, 205808}, {"", ""}}, 
   {1715.1598, 14.067248, "Meta"} -> {{37736, 119685, 55106}, {"", ""}}, 
   {948.6653, 14.082221, "Meta"} -> {{1, 42930, 1}, {"", ""}}, 
   {264.2448, 14.087555, "Meta"} -> {{84184, 75856, 69880}, 
     {"9,12-octadecadienal [ C18 H32 O, db=69.08, overall=34.54, Lipid ID=, \
KEGG ID= ]", ""}}, {1813.1312, 14.077153, "Meta"} -> 
    {{74090, 67853, 31955}, {"", ""}}, {546.5012, 14.088577, "Meta"} -> 
    {{21666, 16782, 18452}, {"", ""}}, {367.1936, 14.089778, "Meta"} -> 
    {{39272, 28800, 22505}, {"N-Desethylquinagolide [ C18 H29 N3 O3 S, \
db=63.48, overall=31.74, KEGG ID=, CAS ID= ]", ""}}, 
   {602.4589, 14.089057, "Meta"} -> {{339715, 334257, 305369}, {"", ""}}, 
   {1808.1718, 14.068594, "Meta"} -> {{128132, 69314, 67572}, {"", ""}}, 
   {884.7153, 14.088696, "Meta"} -> {{94896, 106699, 89026}, {"", ""}}, 
   {380.2247, 14.088887, "Meta"} -> {{369197, 370859, 333428}, {"", ""}}, 
   {282.2564, 14.088139, "Meta"} -> {{980550, 1845231, 1928505}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=98.70, overall=49.35, Lipid \
ID=LMFA01030065, KEGG ID= ]", ""}}, {486.3322, 14.0887165, "Meta"} -> 
    {{1, 550674, 547143}, {"", ""}}, {868.7374, 14.088824, "Meta"} -> 
    {{15935, 15815, 14812}, {"", ""}}, {299.2823, 14.088805, "Meta"} -> 
    {{268381, 282308, 321985}, {"3-Dehydrosphinganine [ C18 H37 N O2, \
db=99.55, overall=49.78, KEGG ID=C02934, CAS ID=16105-69-4 ]", 
      "16105-69-4"}}, {338.1754, 14.0895, "Meta"} -> 
    {{1, 1, 45159}, {"2,3-Dinor-6,15-diketo-13,14-dihydro-PGF1a [ C18 H26 O6, \
db=42.53, overall=21.26, KEGG ID=, CAS ID= ]", ""}}, 
   {586.4805, 14.089943, "Meta"} -> {{1, 28268, 24849}, 
     {"3',4'-Dihydrorhodovibrin [ C41 H62 O2, db=20.76, overall=10.38, Lipid \
ID=LMPR01070139, KEGG ID= ]", ""}}, {440.2498, 14.08963, "Meta"} -> 
    {{52223, 53991, 51335}, {"", ""}}, {404.1936, 14.090585, "Meta"} -> 
    {{1, 20617, 18987}, 
     {"Lys Glu Glu [ C16 H28 N4 O8, db=45.07, overall=22.53 ]", ""}}, 
   {398.202, 14.090389, "Meta"} -> {{81091, 77744, 67397}, 
     {"His Arg Ser [ C15 H26 N8 O5, db=43.07, overall=21.53 ]", ""}}, 
   {395.1929, 14.089863, "Meta"} -> {{132377, 110577, 80724}, {"", ""}}, 
   {1720.1184, 14.061962, "Meta"} -> {{140356, 1, 72408}, {"", ""}}, 
   {434.3862, 14.09189, "Meta"} -> {{66593, 53069, 66175}, {"", ""}}, 
   {320.2035, 14.088819, "Meta"} -> {{52550, 46232, 1}, {"", ""}}, 
   {357.2667, 14.066502, "Meta"} -> {{51057, 76255, 63085}, {"", ""}}, 
   {1803.2148, 14.080516, "Meta"} -> {{76796, 28515, 51023}, {"", ""}}, 
   {1847.2441, 14.088383, "Meta"} -> {{53767, 76087, 73099}, {"", ""}}, 
   {1852.1967, 14.0926, "Meta"} -> {{69909, 90823, 1}, {"", ""}}, 
   {1896.2227, 14.094833, "Meta"} -> {{63061, 1, 94614}, {"", ""}}, 
   {662.4873, 14.106453, "Meta"} -> {{1, 53622, 63405}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaeno\
yl)-sn-glycerol [ C43 H66 O5, db=68.73, overall=34.37, KEGG ID=, CAS ID= ]", 
      ""}}, {498.3687, 14.089807, "Meta"} -> 
    {{1, 1, 1}, {"(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradeh\
ydro-24a,24b,24c-trihomo-20-epivitamin D3 [ C32 H50 O4, db=49.58, \
overall=24.79, Lipid ID=LMST03020516, KEGG ID= ]", ""}}, 
   {509.3843, 14.0923605, "Meta"} -> {{4231908, 6034752, 5623924}, {"", ""}}, 
   {466.3657, 14.105546, "Meta"} -> {{1, 302912, 269192}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=82.12, overall=41.06, \
Lipid ID=LMST01030128, KEGG ID= ]", ""}}, {292.2399, 14.107418, "Meta"} -> 
    {{317132, 554559, 479632}, {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, \
db=85.29, overall=42.65, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {580.4317, 14.10757, "Meta"} -> {{67120, 56846, 65326}, 
     {"GPCho(O-18:0/4:0) [ C30 H63 N O7 P, db=63.24, overall=31.62, Lipid \
ID=LMGP01020116, KEGG ID= ]", ""}}, {352.2723, 14.1108885, "Meta"} -> 
    {{50481, 112864, 81950}, {"", ""}}, {309.2668, 14.111446, "Meta"} -> 
    {{185866, 289992, 345360}, {"Dicyclomine [ C19 H35 N O2, db=99.35, \
overall=49.67, KEGG ID=C06951, CAS ID=77-19-0 ]", "77-19-0"}}, 
   {222.1617, 14.1038265, "Meta"} -> {{139570, 1, 312011}, {"", ""}}, 
   {960.7672, 14.101361, "Meta"} -> {{202068, 169367, 154179}, {"", ""}}, 
   {499.2963, 14.121678, "Meta"} -> {{73235, 84691, 63945}, 
     {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=89.57, overall=44.79, \
KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, {484.378, 14.105919, "Meta"} -> 
    {{26461, 1, 26044}, {"", ""}}, {420.3042, 14.12719, "Meta"} -> 
    {{214474, 70028, 204468}, {"3D,7D,11D-Phytanic acid [ C29 H40 O2, \
db=55.51, overall=27.76, HMP ID=HMDB00417, KEGG ID= ]", ""}}, 
   {696.4838, 14.114749, "Meta"} -> {{1, 1, 208560}, {"", ""}}, 
   {514.423, 14.141911, "Meta"} -> {{60314, 1, 61976}, {"", ""}}, 
   {678.511, 14.121193, "Meta"} -> {{283137, 306286, 279803}, 
     {"GPCho(14:0/14:0[U]) [ C36 H73 N O8 P, db=73.61, overall=36.81, Lipid \
ID=LMGP01010478, KEGG ID= ]", ""}}, {895.5533, 14.136167, "Meta"} -> 
    {{80435, 46744, 39520}, {"", ""}}, {422.34, 14.145611, "Meta"} -> 
    {{263319, 88260, 261054}, {"", ""}}, {340.298, 14.148811, "Meta"} -> 
    {{2538588, 2121572, 2228137}, {"20-oxo-heneicosanoic acid [ C21 H40 O3, \
db=96.35, overall=48.18, Lipid ID=, KEGG ID= ]", ""}}, 
   {352.334, 14.145808, "Meta"} -> {{1, 37670, 1}, {"14Z-tricosenoic acid [ \
C23 H44 O2, db=81.01, overall=40.50, Lipid ID=, KEGG ID= ]", ""}}, 
   {1036.8195, 14.135778, "Meta"} -> {{300571, 266136, 334971}, {"", ""}}, 
   {741.6305, 14.144343, "Meta"} -> {{3212626, 2682711, 3214092}, {"", ""}}, 
   {384.3049, 14.142907, "Meta"} -> {{102709, 96521, 1}, {"", ""}}, 
   {403.3659, 14.148665, "Meta"} -> {{540650, 469727, 654448}, {"", ""}}, 
   {772.5821, 14.131801, "Meta"} -> {{73275, 70936, 82229}, 
     {"GPCho(16:0/19:2(9Z,12Z)[U]) [ C43 H83 N O8 P, db=73.13, overall=36.57, \
Lipid ID=LMGP01010610, KEGG ID= ]", ""}}, {764.5958, 14.144802, "Meta"} -> 
    {{158635, 93851, 189937}, {"", ""}}, {1054.792, 14.132248, "Meta"} -> 
    {{1, 123289, 145396}, {"", ""}}, {266.2608, 14.148749, "Meta"} -> 
    {{680924, 609687, 677256}, {"3E,13Z-octadecadien-1-ol [ C18 H34 O, \
db=97.90, overall=48.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {375.3339, 14.148222, "Meta"} -> {{1.35*^7, 1.25*^7, 1.55*^7}, {"", ""}}, 
   {358.3078, 14.148471, "Meta"} -> {{1.02*^8, 7.88*^7, 7.62*^7}, 
     {"1-octadecanoyl-rac-glycerol [ C21 H42 O4, db=98.40, overall=49.20, \
KEGG ID=, CAS ID= ]", ""}}, {418.3406, 14.1476965, "Meta"} -> 
    {{4419854, 3552994, 3188285}, {"1alpha,25-dihydroxy-2alpha-methyl-19-norv\
itamin D3 / 1alpha,25-dihydroxy-2alpha-methyl-19-norcholeca [ C27 H46 O3, \
db=67.02, overall=33.51, Lipid ID=LMST03020553, KEGG ID= ]", ""}}, 
   {639.5801, 14.147194, "Meta"} -> {{144762, 114712, 93938}, {"", ""}}, 
   {1200.9023, 14.160806, "Meta"} -> {{115563, 66747, 90373}, {"", ""}}, 
   {1112.877, 14.148324, "Meta"} -> {{2195891, 1805866, 1784287}, {"", ""}}, 
   {814.5844, 14.151257, "Meta"} -> {{622716, 439587, 473950}, {"", ""}}, 
   {769.529, 14.1481085, "Meta"} -> {{705116, 404780, 341060}, {"", ""}}, 
   {1471.1823, 14.148783, "Meta"} -> {{2224958, 1547588, 1499004}, {"", ""}}, 
   {343.3194, 14.142917, "Meta"} -> {{189913, 175104, 245472}, {"", ""}}, 
   {527.2676, 14.149583, "Meta"} -> {{301016, 224581, 201205}, {"", ""}}, 
   {456.2764, 14.150944, "Meta"} -> {{1029810, 1092801, 1007554}, {"", ""}}, 
   {480.2429, 14.151414, "Meta"} -> {{86763, 76499, 77647}, {"", ""}}, 
   {389.3503, 14.147706, "Meta"} -> {{229219, 184371, 196579}, {"", ""}}, 
   {424.2965, 14.153561, "Meta"} -> {{1, 141828, 1}, 
     {"(22E,24E,26E)-1alpha,26b-dihydroxy-22,23,24,25,26,26a-hexadehydro-26a,\
26b-dihomo-27-norvitamin D3 / [ C28 H40 O3, db=44.45, overall=22.22, Lipid \
ID=LMST03020312, KEGG ID= ]", ""}}, {454.3656, 14.155731, "Meta"} -> 
    {{48165, 109500, 53878}, {"", ""}}, {564.5589, 14.166798, "Meta"} -> 
    {{15287, 27238, 39322}, {"", ""}}, {426.327, 14.133777, "Meta"} -> 
    {{1, 64469, 30069}, {"", ""}}, {846.402, 14.16888, "Meta"} -> 
    {{398885, 54215, 204568}, {"", ""}}, {934.6778, 14.200471, "Meta"} -> 
    {{111053, 88774, 101018}, {"", ""}}, {466.1108, 14.175235, "Meta"} -> 
    {{682036, 116169, 444379}, {"", ""}}, {285.267, 14.18239, "Meta"} -> 
    {{104925, 187420, 237550}, {"C17 Sphingosine [ C17 H35 N O2, db=93.80, \
overall=46.90, Lipid ID=LMSP01040002, KEGG ID= ]", ""}}, 
   {436.3163, 14.176588, "Meta"} -> {{546592, 196502, 200777}, 
     {"4,4-difluoro-1alpha-hydroxyvitamin D3 / \
4,4-difluoro-1alpha-hydroxycholecalciferol [ C27 H42 F2 O2, db=84.08, \
overall=42.04, Lipid ID=LMST03020138, KEGG ID= ]", ""}}, 
   {268.24, 14.176917, "Meta"} -> {{465186, 751053, 837545}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=92.99, overall=46.49, Lipid \
ID=LMFA01030060, KEGG ID= ]", ""}}, {446.3394, 14.189685, "Meta"} -> 
    {{411972, 351203, 328457}, {"1alpha,25-dihydroxy-11beta-methoxyvitamin D3 \
/ 1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, db=80.19, \
overall=40.09, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {398.3198, 14.172886, "Meta"} -> {{1, 1, 77565}, 
     {"(22Z)-1beta-hydroxy-22,23-didehydrovitamin D_3 / \
(22Z)-1beta-hydroxy-22,23-didehydrocholecalciferol [ C27 H42 O2, db=77.14, \
overall=38.57, Lipid ID=LMST03020151, KEGG ID= ]", ""}}, 
   {434.2678, 14.188435, "Meta"} -> {{151358, 146824, 160342}, 
     {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, db=84.90, overall=42.45, \
KEGG ID=, CAS ID=114883-29-3 ]", "114883-29-3"}}, 
   {1364.8975, 14.194389, "Meta"} -> {{110569, 1, 83873}, 
     {"Ganglioside GA1 (d18:1/26:1(17Z)) [ C70 H128 N2 O23, db=75.48, \
overall=37.74, HMP ID=HMDB04907, KEGG ID= ]", ""}}, 
   {1447.9952, 14.192001, "Meta"} -> {{118061, 511869, 131260}, {"", ""}}, 
   {1492.0217, 14.194573, "Meta"} -> {{490319, 495962, 477056}, {"", ""}}, 
   {412.2971, 14.195, "Meta"} -> {{87173, 94423, 87768}, 
     {"Calcipotriene [ C27 H40 O3, db=80.60, overall=40.30, KEGG ID=, CAS \
ID=112965-21-6 ]", "112965-21-6"}}, {1496.9803, 14.19325, "Meta"} -> 
    {{261663, 67338, 51966}, {"", ""}}, {1420.9965, 14.197917, "Meta"} -> 
    {{214894, 327490, 1}, {"", ""}}, {1624.1003, 14.197062, "Meta"} -> 
    {{352719, 1, 28036}, {"", ""}}, {1817.2332, 14.199793, "Meta"} -> 
    {{74045, 1, 1}, {"", ""}}, {1597.101, 14.198148, "Meta"} -> 
    {{205561, 269459, 343210}, {"", ""}}, {1408.9271, 14.194473, "Meta"} -> 
    {{340256, 96019, 70560}, {"", ""}}, {1861.258, 14.196594, "Meta"} -> 
    {{70779, 76254, 87492}, {"", ""}}, {1403.9694, 14.194972, "Meta"} -> 
    {{525983, 530656, 158495}, {"", ""}}, {1452.9532, 14.194514, "Meta"} -> 
    {{294731, 228317, 77844}, {"", ""}}, {1509.0479, 14.196716, "Meta"} -> 
    {{1, 285034, 397463}, {"", ""}}, {1465.0219, 14.194402, "Meta"} -> 
    {{244069, 303199, 468454}, {"", ""}}, {1553.0742, 14.197194, "Meta"} -> 
    {{201202, 1, 1}, {"", ""}}, {1562.9896, 14.198364, "Meta"} -> 
    {{183647, 144393, 108257}, {"", ""}}, {1536.0472, 14.194414, "Meta"} -> 
    {{96112, 472664, 1}, {"", ""}}, {1376.9705, 14.195032, "Meta"} -> 
    {{268048, 376308, 1}, {"", ""}}, {1602.0566, 14.198463, "Meta"} -> 
    {{277320, 305712, 1}, {"", ""}}, {1729.1761, 14.185585, "Meta"} -> 
    {{59718, 178505, 204340}, {"", ""}}, {1695.0688, 14.195794, "Meta"} -> 
    {{126199, 102286, 84605}, {"", ""}}, {1734.1353, 14.190585, "Meta"} -> 
    {{250810, 204372, 207105}, {"", ""}}, {1783.1184, 14.192629, "Meta"} -> 
    {{67547, 67909, 63978}, {"", ""}}, {649.9173, 14.20141, "Meta"} -> 
    {{52217, 52574, 37421}, {"", ""}}, {484.2849, 14.207409, "Meta"} -> 
    {{1, 1, 1}, {"GPGro(16:0/0:0)[U] [ C22 H45 O9 P, db=38.98, overall=19.49, \
Lipid ID=LMGP04050002, KEGG ID= ]", ""}}, {1690.1084, 14.19928, "Meta"} -> 
    {{219119, 214153, 1}, {"", ""}}, {1739.0945, 14.198658, "Meta"} -> 
    {{123677, 1, 73381}, {"", ""}}, {1651.0406, 14.192531, "Meta"} -> 
    {{150157, 1, 1}, {"", ""}}, {1641.1263, 14.192625, "Meta"} -> 
    {{191708, 257292, 48508}, {"", ""}}, {1271.8907, 14.198788, "Meta"} -> 
    {{1, 598595, 232365}, {"", ""}}, {1773.2079, 14.200658, "Meta"} -> 
    {{66659, 96489, 144199}, {"", ""}}, {1822.1873, 14.202721, "Meta"} -> 
    {{1, 1, 115530}, {"", ""}}, {613.9317, 14.198634, "Meta"} -> 
    {{346800, 380457, 392140}, {"", ""}}, {1866.2135, 14.191801, "Meta"} -> 
    {{96987, 88490, 103415}, {"", ""}}, {649.4179, 14.206075, "Meta"} -> 
    {{69342, 76755, 1}, {"", ""}}, {1276.8481, 14.198558, "Meta"} -> 
    {{180990, 152472, 23330}, {"", ""}}, {1288.9185, 14.196689, "Meta"} -> 
    {{13095, 263031, 392838}, {"", ""}}, {1871.1737, 14.199768, "Meta"} -> 
    {{43406, 51294, 1}, {"", ""}}, {1232.82, 14.198863, "Meta"} -> 
    {{183114, 102871, 122843}, {"", ""}}, {1827.1462, 14.200866, "Meta"} -> 
    {{49538, 58409, 39060}, {"", ""}}, {1778.1611, 14.200578, "Meta"} -> 
    {{166045, 167153, 172012}, {"", ""}}, {1244.8917, 14.2033415, "Meta"} -> 
    {{156161, 190359, 312396}, {"", ""}}, {583.7208, 14.204438, "Meta"} -> 
    {{1, 1, 20615}, {"", ""}}, {1249.8477, 14.203148, "Meta"} -> 
    {{236129, 251947, 247200}, {"", ""}}, {1200.8668, 14.204945, "Meta"} -> 
    {{144362, 180861, 260707}, {"", ""}}, {365.3013, 14.216527, "Meta"} -> 
    {{36653, 41644, 46655}, {"", ""}}, {1188.7935, 14.202201, "Meta"} -> 
    {{1, 245496, 130339}, {"", ""}}, {605.8921, 14.206543, "Meta"} -> 
    {{38663, 1, 1}, {"", ""}}, {1183.8381, 14.204194, "Meta"} -> 
    {{204795, 408699, 482047}, {"", ""}}, {1144.769, 14.20787, "Meta"} -> 
    {{160896, 143811, 161360}, {"", ""}}, {424.3908, 14.209613, "Meta"} -> 
    {{49424, 46570, 52981}, {"", ""}}, {554.3656, 14.166631, "Meta"} -> 
    {{69291, 1, 1}, {"", ""}}, {1156.8387, 14.209628, "Meta"} -> 
    {{82375, 106987, 167494}, {"", ""}}, {1139.8115, 14.206183, "Meta"} -> 
    {{1, 165193, 167722}, {"", ""}}, {406.3804, 14.209417, "Meta"} -> 
    {{44897, 42556, 49616}, {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ \
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   {440.3857, 14.214, "Meta"} -> {{239218, 228256, 206226}, {"", ""}}, 
   {488.3482, 14.211999, "Meta"} -> {{204253, 164949, 167577}, {"", ""}}, 
   {1100.7411, 14.209909, "Meta"} -> {{125419, 95891, 108310}, {"", ""}}, 
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   {1116.779, 14.224416, "Meta"} -> {{407397, 297335, 402574}, {"", ""}}, 
   {328.3451, 14.2168, "Meta"} -> {{185652, 147761, 332458}, {"", ""}}, 
   {283.2869, 14.21733, "Meta"} -> {{7183264, 4648705, 6229602}, 
     {"Stearamide [ C18 H37 N O, db=96.78, overall=48.39, KEGG ID=, CAS \
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    {{124088, 87394, 126074}, {"", ""}}, {1051.7598, 14.215641, "Meta"} -> 
    {{93628, 121874, 111118}, {"", ""}}, {1095.7856, 14.213828, "Meta"} -> 
    {{189463, 1, 195158}, {"", ""}}, {1012.6886, 14.219436, "Meta"} -> 
    {{1, 47235, 37672}, {"", ""}}, {1022.7088, 14.223097, "Meta"} -> 
    {{41761, 36985, 29559}, {"", ""}}, {422.3747, 14.206687, "Meta"} -> 
    {{58818, 25993, 28992}, {"", ""}}, {1007.7326, 14.221612, "Meta"} -> 
    {{93987, 95660, 93528}, {"", ""}}, {518.3967, 14.2736025, "Meta"} -> 
    {{1, 155319, 217662}, {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitam\
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   {1885.1884, 14.293885, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {325.2996, 14.210102, "Meta"} -> {{35154, 14903, 18969}, 
     {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, db=43.24, overall=21.62, \
KEGG ID=, CAS ID= ]", ""}}, {612.4955, 14.216895, "Meta"} -> 
    {{151124, 127440, 110950}, {"", ""}}, {624.5072, 14.226657, "Meta"} -> 
    {{75178, 56036, 226691}, {"", ""}}, {538.3636, 14.237194, "Meta"} -> 
    {{191427, 181649, 1}, {"", ""}}, {308.2716, 14.231286, "Meta"} -> 
    {{47180, 1, 36502}, {"5,11-Eicosadienoic acid [ C20 H36 O2, db=81.25, \
overall=40.62, Lipid ID=, KEGG ID= ]", ""}}, {278.2241, 14.218176, "Meta"} -> 
    {{89989, 1, 99522}, {"beta-eleostearic acid [ C18 H30 O2, db=83.37, \
overall=41.68, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {963.7065, 14.228668, "Meta"} -> {{31522, 43672, 53388}, {"", ""}}, 
   {369.3356, 14.230916, "Meta"} -> {{585666, 310762, 570930}, {"", ""}}, 
   {309.3033, 14.23247, "Meta"} -> {{3140904, 1224260, 3942791}, {"", ""}}, 
   {538.4231, 14.239277, "Meta"} -> {{687936, 733112, 1029170}, 
     {"GPCho(O-16:0/O-4:0[U]) [ C28 H61 N O6 P, db=76.53, overall=38.26, \
Lipid ID=LMGP01040044, KEGG ID= ]", ""}}, {520.413, 14.242222, "Meta"} -> 
    {{1455103, 1454380, 1396199}, {"", ""}}, {647.3629, 14.24356, "Meta"} -> 
    {{36016, 28233, 34299}, {"", ""}}, {591.3425, 14.248113, "Meta"} -> 
    {{48110, 1, 1}, {"", ""}}, {636.3988, 14.250115, "Meta"} -> 
    {{1, 38589, 1}, {"", ""}}, {1098.8239, 14.252852, "Meta"} -> 
    {{92282, 94745, 105706}, {"", ""}}, {594.3456, 14.25331, "Meta"} -> 
    {{62967, 30724, 36229}, {"L-Urobilin [ C33 H46 N4 O6, db=35.51, \
overall=17.75, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {256.24, 14.260359, "Meta"} -> {{86561, 184165, 109251}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=78.64, overall=39.32, Lipid \
ID=, KEGG ID= ]", ""}}, {387.3139, 14.260241, "Meta"} -> 
    {{68692, 101888, 132937}, {"", ""}}, {373.2977, 14.262173, "Meta"} -> 
    {{79911, 126167, 131412}, {"Arachidonoylmorpholine [ C24 H39 N O2, \
db=92.07, overall=46.03, Lipid ID=LMFA08020052, KEGG ID= ]", ""}}, 
   {227.1883, 14.25888, "Meta"} -> {{54327, 42095, 76397}, {"", ""}}, 
   {310.2297, 14.267167, "Meta"} -> {{109837, 137058, 143263}, 
     {"Desogestrel [ C22 H30 O, db=87.12, overall=43.56, KEGG ID=, CAS \
ID=54024-22-5 ]", "54024-22-5"}}, {402.2882, 14.268779, "Meta"} -> 
    {{1375562, 1785999, 1351581}, {"", ""}}, {359.2815, 14.267722, "Meta"} -> 
    {{9237472, 1.52*^7, 1.64*^7}, {"", ""}}, {272.1768, 14.267366, "Meta"} -> 
    {{33406, 27863, 33684}, {"5,8,11-octadecatriynoic acid [ C18 H24 O2, \
db=55.08, overall=27.54, Lipid ID=, KEGG ID= ]", ""}}, 
   {390.3498, 14.261562, "Meta"} -> {{1, 25149, 32751}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=62.19, overall=31.10, \
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    {{53874, 46423, 42852}, {"", ""}}, {458.1971, 14.265822, "Meta"} -> 
    {{28309, 22327, 15428}, {"", ""}}, {722.4598, 14.266535, "Meta"} -> 
    {{24153, 23619, 22948}, {"", ""}}, {698.4571, 14.2792225, "Meta"} -> 
    {{31839, 30778, 36017}, {"", ""}}, {1016.7246, 14.284067, "Meta"} -> 
    {{66271, 61017, 52853}, {"", ""}}, {234.1617, 14.2904, "Meta"} -> 
    {{54907, 66290, 700588}, {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-\
9,11-didehydrovitamin D3 / 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, \
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   {416.2236, 14.286627, "Meta"} -> {{1, 61182, 56354}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=73.66, \
overall=36.83, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {134.1094, 14.287377, "Meta"} -> {{189801, 231332, 34313}, 
     {"p-Cymene [ C10 H14, db=86.48, overall=43.24, Lipid ID=LMPR01020045, \
KEGG ID=C06575 ]", ""}}, {349.2979, 14.288562, "Meta"} -> 
    {{83852, 94120, 122044}, {"Anandamide (20:3, n-3) [ C22 H39 N O2, \
db=74.63, overall=37.32, Lipid ID=LMFA08040005, KEGG ID= ]", ""}}, 
   {378.288, 14.29039, "Meta"} -> {{862054, 1134721, 838125}, {"", ""}}, 
   {1116.8062, 14.30288, "Meta"} -> {{87260, 108758, 119490}, {"", ""}}, 
   {286.2294, 14.290941, "Meta"} -> {{384122, 545031, 547696}, 
     {"11-cis-Retinol [ C20 H30 O, db=99.50, overall=49.75, Lipid \
ID=LMPR01090005, KEGG ID=C00899 ]", ""}}, {318.255, 14.292167, "Meta"} -> 
    {{1.27*^7, 1.81*^7, 6117991}, {"Allopregnanolone [ C21 H34 O2, db=64.02, \
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   {1310.9695, 14.290519, "Meta"} -> {{23903, 1, 18530}, {"", ""}}, 
   {434.1969, 14.290781, "Meta"} -> {{26897, 24603, 1}, 
     {"Trp Met Val [ C21 H30 N4 O4 S, db=56.25, overall=28.12 ]", ""}}, 
   {335.2815, 14.294109, "Meta"} -> {{6941682, 1.21*^7, 1.26*^7}, {"", ""}}, 
   {468.3816, 14.297306, "Meta"} -> {{4501194, 2042517, 2083680}, {"", ""}}, 
   {1044.7502, 14.296883, "Meta"} -> {{56701, 91748, 1}, {"", ""}}, 
   {674.4608, 14.296427, "Meta"} -> {{37655, 1, 32264}, {"", ""}}, 
   {1022.7092, 14.298482, "Meta"} -> {{27439, 89461, 53416}, {"", ""}}, 
   {1963.3293, 14.298726, "Meta"} -> {{33539, 43275, 38845}, {"", ""}}, 
   {577.3202, 14.3007145, "Meta"} -> {{39743, 27007, 27376}, 
     {"dihydro-alpha-ergocryptine [ C32 H43 N5 O5, db=34.25, overall=17.13, \
KEGG ID=, CAS ID= ]", ""}}, {1028.7731, 14.29594, "Meta"} -> 
    {{51351, 60289, 48075}, {"TG(22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z\
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    {{734640, 698519, 680971}, {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl\
)-9,11-didehydrovitamin D3 / 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, \
db=54.09, overall=27.05, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {1880.2303, 14.295215, "Meta"} -> {{56199, 56060, 1}, {"", ""}}, 
   {562.4212, 14.302342, "Meta"} -> {{2391988, 2620818, 2636012}, {"", ""}}, 
   {952.666, 14.2989645, "Meta"} -> {{34722, 37976, 28281}, {"", ""}}, 
   {366.3494, 14.30147, "Meta"} -> {{22495, 24767, 24986}, 
     {"Nervonic acid [ C24 H46 O2, db=79.78, overall=39.89, KEGG ID=, CAS \
ID=506-37-6 ]", "506-37-6"}}, {484.287, 14.291407, "Meta"} -> 
    {{56905, 27485, 37099}, {"", ""}}, {661.7696, 14.304938, "Meta"} -> 
    {{51034, 35354, 1}, {"", ""}}, {1836.2034, 14.306453, "Meta"} -> 
    {{139145, 116300, 87250}, {"", ""}}, {634.0719, 14.305877, "Meta"} -> 
    {{22187, 30169, 1}, {"", ""}}, {603.0685, 14.306771, "Meta"} -> 
    {{51125, 47673, 49958}, {"", ""}}, {604.7206, 14.3060255, "Meta"} -> 
    {{33051, 27248, 25436}, {"", ""}}, {1748.1512, 14.302379, "Meta"} -> 
    {{238131, 197795, 39049}, {"", ""}}, {573.7178, 14.306849, "Meta"} -> 
    {{35062, 34583, 36596}, {"", ""}}, {1792.1765, 14.2968, "Meta"} -> 
    {{1, 37442, 40449}, {"", ""}}, {60.0325, 14.311346, "Meta"} -> 
    {{311984, 354970, 278625}, {"Urea [ C H4 N2 O, db=87.29, overall=43.65, \
KEGG ID=C00086, CAS ID=57-13-6 ]", "57-13-6"}}, 
   {968.7169, 14.309335, "Meta"} -> {{66028, 77244, 50955}, {"", ""}}, 
   {1787.222, 14.30246, "Meta"} -> {{19343, 1, 40400}, {"", ""}}, 
   {559.0424, 14.307241, "Meta"} -> {{28738, 29108, 23910}, {"", ""}}, 
   {590.0455, 14.306272, "Meta"} -> {{26892, 1, 1}, {"", ""}}, 
   {1831.2483, 14.304244, "Meta"} -> {{85987, 89876, 109577}, {"", ""}}, 
   {1743.1947, 14.307287, "Meta"} -> {{172284, 204656, 1}, {"", ""}}, 
   {647.0946, 14.304667, "Meta"} -> {{52764, 55558, 58325}, {"", ""}}, 
   {1699.1694, 14.298276, "Meta"} -> {{178397, 1, 286633}, {"", ""}}, 
   {630.768, 14.307372, "Meta"} -> {{54827, 68508, 71348}, {"", ""}}, 
   {1665.057, 14.310457, "Meta"} -> {{187831, 184116, 177119}, {"", ""}}, 
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   {1924.2563, 14.306934, "Meta"} -> {{73056, 61155, 1}, {"", ""}}, 
   {1616.0728, 14.3115015, "Meta"} -> {{350849, 303383, 310808}, {"", ""}}, 
   {1875.2738, 14.2969675, "Meta"} -> {{24566, 80154, 37585}, {"", ""}}, 
   {1550.0645, 14.311656, "Meta"} -> {{443878, 391307, 1}, {"", ""}}, 
   {648.7473, 14.305516, "Meta"} -> {{37303, 36171, 1}, {"", ""}}, 
   {1523.0645, 14.315276, "Meta"} -> {{253262, 1, 408918}, {"", ""}}, 
   {1506.0385, 14.314786, "Meta"} -> {{465048, 426755, 61743}, {"", ""}}, 
   {1462.0117, 14.3143835, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {298.2506, 14.321658, "Meta"} -> {{205993, 456825, 210742}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=73.00, overall=36.50, \
Lipid ID=, KEGG ID= ]", ""}}, {650.4595, 14.318721, "Meta"} -> 
    {{20279, 31656, 24270}, {"", ""}}, {1435.0125, 14.319297, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {152.1198, 14.325621, "Meta"} -> 
    {{27285, 31371, 30231}, {"Limonene-1,2-epoxide [ C10 H16 O, db=71.21, \
overall=35.61, Lipid ID=LMPR01020046, KEGG ID=C07271 ]", ""}}, 
   {1417.9856, 14.31611, "Meta"} -> {{83512, 70146, 1}, {"", ""}}, 
   {596.3593, 14.318885, "Meta"} -> {{120648, 97917, 76584}, {"", ""}}, 
   {1373.9594, 14.321887, "Meta"} -> {{473376, 416857, 433907}, {"", ""}}, 
   {944.712, 14.3222, "Meta"} -> {{87710, 70147, 68834}, {"", ""}}, 
   {196.1459, 14.323223, "Meta"} -> {{1, 29989, 28410}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=55.50, overall=27.75, Lipid ID=, \
KEGG ID= ]", ""}}, {1329.9312, 14.326601, "Meta"} -> 
    {{95169, 77649, 1}, {"", ""}}, {1346.9602, 14.32572, "Meta"} -> 
    {{215891, 307226, 1}, {"", ""}}, {626.4591, 14.3310995, "Meta"} -> 
    {{132447, 56296, 20938}, {"", ""}}, {244.2189, 14.325999, "Meta"} -> 
    {{86590, 129862, 122447}, {"", ""}}, {325.2979, 14.328285, "Meta"} -> 
    {{35471, 55210, 57189}, {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, \
db=68.35, overall=34.18, KEGG ID=, CAS ID= ]", ""}}, 
   {294.2551, 14.3272505, "Meta"} -> {{4418727, 1.32*^7, 6136892}, 
     {"Sterculic acid [ C19 H34 O2, db=82.34, overall=41.17, Lipid \
ID=LMFA01030190, KEGG ID= ]", ""}}, {262.2296, 14.327582, "Meta"} -> 
    {{359734, 540259, 512524}, {"6-[3]-ladderane-1-hexanol [ C18 H30 O, \
db=81.28, overall=40.64, Lipid ID=, KEGG ID= ]", ""}}, 
   {238.1927, 14.326264, "Meta"} -> {{19415, 25267, 20840}, 
     {"3-pentadecynoic acid [ C15 H26 O2, db=57.86, overall=28.93, Lipid ID=, \
KEGG ID= ]", ""}}, {392.2238, 14.332555, "Meta"} -> 
    {{100969, 95826, 85917}, {"6b-Hydroxycortisol [ C22 H32 O6, db=57.81, \
overall=28.91, KEGG ID=, CAS ID=53-35-0 ]", "53-35-0"}}, 
   {1285.907, 14.330352, "Meta"} -> {{388343, 354223, 377656}, {"", ""}}, 
   {198.1614, 14.327666, "Meta"} -> {{35391, 43723, 80517}, 
     {"9-lauroleic acid [ C12 H22 O2, db=55.65, overall=27.83, Lipid \
ID=LMFA01030041, KEGG ID= ]", ""}}, {311.2817, 14.328415, "Meta"} -> 
    {{3995770, 7196092, 7239107}, {"", ""}}, {354.2882, 14.326629, "Meta"} -> 
    {{759654, 954869, 795820}, {"", ""}}, {1241.8809, 14.334071, "Meta"} -> 
    {{79289, 27704, 1}, {"", ""}}, {410.1968, 14.332834, "Meta"} -> 
    {{27291, 1, 16049}, {"", ""}}, {920.7121, 14.328693, "Meta"} -> 
    {{64850, 91286, 94282}, {"", ""}}, {372.3238, 14.330667, "Meta"} -> 
    {{1135566, 734384, 798813}, {"13,14-dihydroxy-docosanoic acid [ C22 H44 \
O4, db=92.68, overall=46.34, Lipid ID=, KEGG ID= ]", ""}}, 
   {1180.7678, 14.332838, "Meta"} -> {{56059, 59337, 47247}, {"", ""}}, 
   {1214.8828, 14.336967, "Meta"} -> {{79614, 153003, 1}, {"", ""}}, 
   {1258.907, 14.333887, "Meta"} -> {{97027, 159110, 218956}, {"", ""}}, 
   {1170.852, 14.335778, "Meta"} -> {{77552, 221267, 96218}, {"", ""}}, 
   {1197.8549, 14.342236, "Meta"} -> {{74167, 62222, 42510}, {"", ""}}, 
   {1202.8094, 14.343749, "Meta"} -> {{32208, 22078, 1}, {"", ""}}, 
   {1246.8376, 14.333188, "Meta"} -> {{208295, 164337, 1}, {"", ""}}, 
   {1070.7347, 14.356584, "Meta"} -> {{59555, 19049, 1}, {"", ""}}, 
   {587.9054, 14.341818, "Meta"} -> {{50636, 67348, 60354}, {"", ""}}, 
   {754.5154, 14.349834, "Meta"} -> {{58515, 87813, 72721}, {"", ""}}, 
   {576.9138, 14.348359, "Meta"} -> {{103933, 1, 99849}, {"", ""}}, 
   {442.4017, 14.35682, "Meta"} -> {{213751, 234255, 254642}, {"", ""}}, 
   {424.3913, 14.357807, "Meta"} -> {{61621, 60891, 67913}, {"", ""}}, 
   {406.3808, 14.358058, "Meta"} -> {{51294, 52086, 56096}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=83.65, \
overall=41.82, Lipid ID=, KEGG ID= ]", ""}}, 
   {1109.8003, 14.359261, "Meta"} -> {{36398, 45511, 54402}, {"", ""}}, 
   {880.6371, 14.358142, "Meta"} -> {{20803, 19889, 14556}, {"", ""}}, 
   {854.6613, 14.358676, "Meta"} -> {{35035, 40297, 39543}, {"", ""}}, 
   {802.5359, 14.362123, "Meta"} -> {{3220256, 1, 2458616}, {"", ""}}, 
   {390.2761, 14.363417, "Meta"} -> {{1.06*^7, 2.01*^7, 8761821}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=96.27, \
overall=48.13, Lipid ID=, KEGG ID= ]", ""}}, {166.0263, 14.363825, "Meta"} -> 
    {{60335, 56511, 1}, {"Benzoquinoneacetic acid [ C8 H6 O4, db=86.34, \
overall=43.17, HMP ID=HMDB02334, KEGG ID= ]", ""}}, 
   {506.2177, 14.361897, "Meta"} -> {{29731, 19458, 1}, {"", ""}}, 
   {488.2453, 14.363861, "Meta"} -> {{39351, 31417, 29851}, 
     {"(3a,5b,7a,12a)-3,7-dihydroxy-12-(sulfooxy)cholan-24-oic acid [ C24 H40 \
O8 S, db=80.09, overall=40.05, HMP ID=HMDB02600, KEGG ID= ]", ""}}, 
   {1065.7736, 14.364685, "Meta"} -> {{33911, 26738, 38531}, {"", ""}}, 
   {148.0158, 14.363888, "Meta"} -> {{453044, 454950, 427636}, {"", ""}}, 
   {435.3347, 14.36872, "Meta"} -> {{542560, 749697, 916907}, {"", ""}}, 
   {260.1407, 14.364168, "Meta"} -> {{33550, 30699, 33923}, {"", ""}}, 
   {510.3212, 14.366528, "Meta"} -> {{188134, 151532, 104290}, 
     {"GPCho(8:0/8:0) [ C24 H49 N O8 P, db=69.20, overall=34.60, Lipid \
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    {{1, 1, 122291}, {"", ""}}, {278.1517, 14.363973, "Meta"} -> 
    {{177259, 177909, 153921}, {"", ""}}, {56.0626, 14.364111, "Meta"} -> 
    {{177807, 166457, 162358}, {"", ""}}, {559.2364, 14.3670025, "Meta"} -> 
    {{68309, 41909, 35232}, {"", ""}}, {707.5107, 14.365907, "Meta"} -> 
    {{34728, 37549, 56267}, {"", ""}}, {723.5778, 14.369323, "Meta"} -> 
    {{146307, 144703, 134676}, {"", ""}}, {472.2919, 14.36994, "Meta"} -> 
    {{57619, 49059, 47160}, {"", ""}}, {612.496, 14.377229, "Meta"} -> 
    {{61500, 76354, 72487}, {"", ""}}, {693.5309, 14.366889, "Meta"} -> 
    {{131497, 123783, 100064}, {"", ""}}, {311.3178, 14.3759985, "Meta"} -> 
    {{714377, 810027, 715759}, {"", ""}}, {242.1879, 14.379251, "Meta"} -> 
    {{95779, 95153, 99276}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
db=85.66, overall=42.83, Lipid ID=, KEGG ID= ]", ""}}, 
   {206.1667, 14.376665, "Meta"} -> {{34781, 55439, 36260}, {"", ""}}, 
   {260.1984, 14.38937, "Meta"} -> {{65933, 66970, 80765}, 
     {"3,11-dihydroxy myristoic acid [ C14 H28 O4, db=63.47, overall=31.73, \
Lipid ID=LMFA01050081, KEGG ID= ]", ""}}, {996.7662, 14.379554, "Meta"} -> 
    {{35826, 20150, 17369}, {"", ""}}, {429.2323, 14.385517, "Meta"} -> 
    {{136987, 71338, 59278}, {"", ""}}, {2021.3699, 14.398199, "Meta"} -> 
    {{48654, 70381, 57115}, {"", ""}}, {504.4169, 14.390971, "Meta"} -> 
    {{113102, 136004, 138331}, {"", ""}}, {540.4393, 14.375798, "Meta"} -> 
    {{130099, 1, 1872127}, {"", ""}}, {890.7617, 14.388518, "Meta"} -> 
    {{188149, 157460, 158521}, {"", ""}}, {298.2869, 14.3915205, "Meta"} -> 
    {{151420, 120878, 1}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
db=67.14, overall=33.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {397.2157, 14.390834, "Meta"} -> {{1, 34690, 1}, {"", ""}}, 
   {666.5123, 14.391109, "Meta"} -> {{159953, 137165, 120851}, {"", ""}}, 
   {400.2142, 14.393068, "Meta"} -> {{1, 53049, 48122}, 
     {"Trp Pro Val [ C21 H28 N4 O4, db=30.15, overall=15.08 ]", ""}}, 
   {284.2715, 14.392412, "Meta"} -> {{152914, 125348, 396914}, 
     {"Stearic acid [ C18 H36 O2, db=99.03, overall=49.51, KEGG ID=, CAS \
ID=57-11-4 ]", "57-11-4"}}, {432.2395, 14.391428, "Meta"} -> 
    {{1, 34282, 26548}, {"", ""}}, {382.2398, 14.392168, "Meta"} -> 
    {{328164, 278056, 248824}, {"", ""}}, {514.3634, 14.388402, "Meta"} -> 
    {{252976, 254371, 239881}, {"", ""}}, {442.2629, 14.3930025, "Meta"} -> 
    {{113589, 96153, 88558}, {"", ""}}, {457.239, 14.3956, "Meta"} -> 
    {{34680, 26969, 19381}, {"", ""}}, {408.3599, 14.406938, "Meta"} -> 
    {{25036, 1, 21268}, {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, \
db=75.02, overall=37.51, Lipid ID=, KEGG ID= ]", ""}}, 
   {1938.2709, 14.402037, "Meta"} -> {{1, 1, 79773}, {"", ""}}, 
   {250.193, 14.395028, "Meta"} -> {{140731, 121122, 130318}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=73.78, overall=36.89, \
Lipid ID=, KEGG ID= ]", ""}}, {301.2979, 14.39117, "Meta"} -> 
    {{47241, 45632, 54196}, {"Dihydrosphingosine [ C18 H39 N O2, db=85.23, \
overall=42.62, KEGG ID=C00836, CAS ID=764-22-7 ]", "764-22-7"}}, 
   {522.4279, 14.397862, "Meta"} -> {{443508, 254299, 284237}, {"", ""}}, 
   {1933.3156, 14.403201, "Meta"} -> {{66323, 1, 1}, {"", ""}}, 
   {416.2903, 14.408222, "Meta"} -> {{25263, 40288, 38593}, 
     {"(24R,25S)-25,26-epoxy-1alpha,24-dihydroxy-27-norvitamin D3 / \
(24R,25S)-25,26-epoxy-1alpha,24-dihydro [ C26 H40 O4, db=47.47, \
overall=23.74, Lipid ID=LMST03020037, KEGG ID= ]", ""}}, 
   {566.3937, 14.392841, "Meta"} -> {{152040, 166381, 191929}, {"", ""}}, 
   {474.37, 14.399874, "Meta"} -> {{158470, 109729, 93255}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=85.87, \
overall=42.94, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {612.4365, 14.406086, "Meta"} -> {{601218, 724545, 496512}, {"", ""}}, 
   {470.3972, 14.407165, "Meta"} -> {{205361, 59817, 1}, {"", ""}}, 
   {1850.2188, 14.408482, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {566.4545, 14.401355, "Meta"} -> {{187379, 204945, 1072071}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=61.55, overall=30.77, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {443.3973, 14.4052, "Meta"} -> 
    {{95950, 136174, 155918}, {"", ""}}, {681.1175, 14.41128, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1899.2042, 14.408434, "Meta"} -> 
    {{67639, 51698, 56930}, {"", ""}}, {1943.2288, 14.400298, "Meta"} -> 
    {{26000, 48649, 28379}, {"", ""}}, {664.7895, 14.409922, "Meta"} -> 
    {{1, 34758, 36491}, {"", ""}}, {448.3536, 14.37326, "Meta"} -> 
    {{846589, 1, 1}, {"Teasterone [ C28 H48 O4, db=51.26, overall=25.63, \
Lipid ID=LMST01030121, KEGG ID= ]", ""}}, {1806.1923, 14.411065, "Meta"} -> 
    {{174616, 1, 1}, {"", ""}}, {486.4034, 14.407399, "Meta"} -> 
    {{42868, 33653, 23524}, {"1alpha,25-dihydroxy-2beta-pentylvitamin D3 / \
1alpha,25-dihydroxy-2beta-pentylcholecalciferol [ C32 H54 O3, db=34.55, \
overall=17.27, Lipid ID=LMST03020520, KEGG ID= ]", ""}}, 
   {1855.1772, 14.401386, "Meta"} -> {{1, 77011, 1}, {"", ""}}, 
   {651.7665, 14.412334, "Meta"} -> {{1, 28881, 24756}, {"", ""}}, 
   {593.0646, 14.419587, "Meta"} -> {{1, 18708, 1}, {"", ""}}, 
   {370.3077, 14.410557, "Meta"} -> {{2059020, 5254039, 1.07*^7}, 
     {"Docosanedioic acid [ C22 H42 O4, db=97.13, overall=48.56, Lipid \
ID=LMFA01170037, KEGG ID= ]", ""}}, {404.3647, 14.4150305, "Meta"} -> 
    {{98302, 101945, 97544}, {"5beta-Cholestane-3alpha,7alpha-diol [ C27 H48 \
O2, db=79.14, overall=39.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {1757.2117, 14.41254, "Meta"} -> {{147161, 218291, 220451}, {"", ""}}, 
   {1801.2352, 14.410735, "Meta"} -> {{137309, 1, 1}, {"", ""}}, 
   {1811.1512, 14.408364, "Meta"} -> {{86127, 1, 63838}, {"", ""}}, 
   {1762.1667, 14.414145, "Meta"} -> {{182697, 191471, 168044}, {"", ""}}, 
   {390.3488, 14.408688, "Meta"} -> {{66321, 69746, 76503}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=54.78, overall=27.39, \
Lipid ID=, KEGG ID= ]", ""}}, {583.4808, 14.395259, "Meta"} -> 
    {{33013, 66060, 57994}, {"", ""}}, {637.0912, 14.41594, "Meta"} -> 
    {{28049, 29623, 27565}, {"", ""}}, {511.4232, 14.415657, "Meta"} -> 
    {{113211, 133469, 143819}, {"", ""}}, {387.335, 14.411082, "Meta"} -> 
    {{270192, 422743, 821460}, {"", ""}}, {470.097, 14.418974, "Meta"} -> 
    {{1.46*^7, 4082532, 1.14*^7}, {"", ""}}, {493.0873, 14.415969, "Meta"} -> 
    {{104092, 24337, 62335}, {"", ""}}, {1723.0979, 14.419501, "Meta"} -> 
    {{122825, 120501, 1}, {"", ""}}, {1625.133, 14.422751, "Meta"} -> 
    {{1, 227013, 1}, {"", ""}}, {1630.0883, 14.423135, "Meta"} -> 
    {{240598, 228358, 218004}, {"", ""}}, {1635.048, 14.425599, "Meta"} -> 
    {{118402, 111796, 100034}, {"", ""}}, {1586.0623, 14.426733, "Meta"} -> 
    {{233378, 234745, 1}, {"", ""}}, {447.2265, 14.425441, "Meta"} -> 
    {{83329, 30098, 61359}, 
     {"Ser Arg Trp [ C20 H29 N7 O5, db=50.01, overall=25.00 ]", ""}}, 
   {1581.1057, 14.426365, "Meta"} -> {{168793, 227522, 1}, {"", ""}}, 
   {404.3037, 14.428638, "Meta"} -> {{681364, 673661, 505487}, {"", ""}}, 
   {1542.0363, 14.429039, "Meta"} -> {{202965, 247079, 1}, {"", ""}}, 
   {375.3134, 14.427285, "Meta"} -> {{1, 1, 51859}, 
     {"N-(1,1-dimethyl-2-hydroxy-ethyl) arachidonoyl amine [ C24 H41 N O2, \
db=81.75, overall=40.88, Lipid ID=LMFA08020019, KEGG ID= ]", ""}}, 
   {1591.0197, 14.430484, "Meta"} -> {{133290, 91333, 111185}, {"", ""}}, 
   {361.2974, 14.432083, "Meta"} -> {{3455015, 6966758, 6355261}, 
     {"N-methyl N-(2-hydroxy-ethyl) arachidonoyl amine [ C23 H39 N O2, \
db=97.58, overall=48.79, Lipid ID=LMFA08020025, KEGG ID= ]", ""}}, 
   {344.2712, 14.433056, "Meta"} -> {{3881419, 1234108, 1130346}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=99.04, \
overall=49.52, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {1546.9941, 14.433572, "Meta"} -> {{1, 78934, 119140}, {"", ""}}, 
   {1476.0247, 14.427167, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {506.4327, 14.461076, "Meta"} -> {{1, 34549, 29883}, {"", ""}}, 
   {1502.967, 14.438209, "Meta"} -> {{134833, 1, 1}, {"", ""}}, 
   {420.3577, 14.4446125, "Meta"} -> {{139693, 119798, 107512}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=65.27, \
overall=32.64, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {1387.9729, 14.434806, "Meta"} -> {{46165, 1, 1}, {"", ""}}, 
   {1493.0544, 14.434714, "Meta"} -> {{161770, 1, 1}, {"", ""}}, 
   {511.2607, 14.419092, "Meta"} -> {{30814, 35533, 71084}, {"", ""}}, 
   {1449.0283, 14.43929, "Meta"} -> {{141363, 1, 1}, {"", ""}}, 
   {380.3653, 14.448362, "Meta"} -> {{177176, 160926, 182039}, 
     {"17Z-pentacosenoic acid [ C25 H48 O2, db=96.33, overall=48.17, Lipid \
ID=, KEGG ID= ]", ""}}, {1405.001, 14.443967, "Meta"} -> 
    {{87506, 170645, 1}, {"CL(1'-[16:0/18:1(11Z)],3'-[16:0/18:1(11Z)]) [ C77 \
H146 O17 P2, db=86.52, overall=43.26, Lipid ID=LMGP12010006, KEGG ID= ]", 
      ""}}, {1321.905, 14.456001, "Meta"} -> {{99710, 116782, 1}, {"", ""}}, 
   {1316.9497, 14.455285, "Meta"} -> {{100016, 131177, 1}, {"", ""}}, 
   {438.3322, 14.440999, "Meta"} -> {{1, 470836, 432142}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=78.36, \
overall=39.18, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {1277.8792, 14.461234, "Meta"} -> {{86340, 87036, 85220}, {"", ""}}, 
   {1118.9772, 14.463029, "Meta"} -> {{90375, 60304, 70496}, {"", ""}}, 
   {636.9634, 14.461871, "Meta"} -> {{1, 27000, 32181}, {"", ""}}, 
   {848.7128, 14.462386, "Meta"} -> {{24646, 27324, 24052}, {"", ""}}, 
   {1238.8083, 14.467372, "Meta"} -> {{38669, 40412, 29645}, {"", ""}}, 
   {270.2551, 14.466167, "Meta"} -> {{1.53*^7, 1.78*^7, 1.18*^7}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=94.77, overall=47.38, \
Lipid ID=, KEGG ID= ]", ""}}, {287.2824, 14.466778, "Meta"} -> 
    {{1155790, 1741001, 1963865}, {"C17 Sphinganine [ C17 H37 N O2, db=99.39, \
overall=49.69, Lipid ID=LMSP01040003, KEGG ID= ]", ""}}, 
   {400.334, 14.474161, "Meta"} -> {{492601, 474317, 500780}, 
     {"(5E)-1alpha-hydroxy-3-epivitamin D_3 / \
(5E)-1alpha-hydroxy-3-epicholecalciferol [ C27 H44 O2, db=88.78, \
overall=44.39, Lipid ID=LMST03020234, KEGG ID= ]", ""}}, 
   {1194.7839, 14.473861, "Meta"} -> {{1, 1, 13701}, {"", ""}}, 
   {1168.9875, 14.479252, "Meta"} -> {{21797, 18154, 17598}, {"", ""}}, 
   {330.2883, 14.466946, "Meta"} -> {{250613, 273795, 223947}, {"", ""}}, 
   {320.2708, 14.478832, "Meta"} -> {{6007475, 2219854, 8703889}, 
     {"3a,20b-Pregnanediol [ C21 H36 O2, db=92.32, overall=46.16, HMP \
ID=HMDB02156, KEGG ID= ]", ""}}, {684.1372, 14.495041, "Meta"} -> 
    {{26989, 1, 21512}, {"", ""}}, {418.2392, 14.489999, "Meta"} -> 
    {{16737, 19421, 1}, 
     {"Met Arg Leu [ C17 H34 N6 O4 S, db=55.58, overall=27.79 ]", ""}}, 
   {337.2972, 14.478779, "Meta"} -> {{3768992, 8071282, 8228473}, {"", ""}}, 
   {948.7409, 14.486519, "Meta"} -> {{96213, 106866, 83410}, {"", ""}}, 
   {288.2448, 14.4851265, "Meta"} -> {{58701, 72831, 71589}, 
     {"8-[5]-ladderane-1-octanol [ C20 H32 O, db=62.66, overall=31.33, Lipid \
ID=, KEGG ID= ]", ""}}, {380.3036, 14.478943, "Meta"} -> 
    {{481053, 635159, 470564}, {"", ""}}, {351.3139, 14.491401, "Meta"} -> 
    {{34320, 61547, 66707}, {"Anandamide (20:2, n-6) [ C22 H41 N O2, \
db=69.92, overall=34.96, Lipid ID=LMFA08040002, KEGG ID= ]", ""}}, 
   {1124.8135, 14.482899, "Meta"} -> {{36982, 1, 28177}, {"", ""}}, 
   {654.7867, 14.500103, "Meta"} -> {{1, 44536, 1}, {"", ""}}, 
   {671.1134, 14.4969425, "Meta"} -> {{44366, 34214, 35972}, {"", ""}}, 
   {645.3889, 14.488171, "Meta"} -> {{1, 72601, 29733}, {"", ""}}, 
   {426.2745, 14.497218, "Meta"} -> {{258171, 131720, 65892}, 
     {"(23S)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone [ C27 H38 \
O4, db=63.52, overall=31.76, Lipid ID=LMST03020599, KEGG ID= ]", ""}}, 
   {685.7893, 14.4935665, "Meta"} -> {{43142, 28782, 26310}, {"", ""}}, 
   {1947.3323, 14.498856, "Meta"} -> {{84530, 1, 32151}, {"", ""}}, 
   {1996.3118, 14.491321, "Meta"} -> {{1, 1, 47213}, {"", ""}}, 
   {641.7627, 14.502058, "Meta"} -> {{33508, 42013, 44412}, {"", ""}}, 
   {636.4919, 14.474574, "Meta"} -> {{1, 247058, 279472}, {"", ""}}, 
   {2040.3385, 14.493648, "Meta"} -> {{56564, 38565, 1}, {"", ""}}, 
   {627.0879, 14.50506, "Meta"} -> {{33229, 38376, 36556}, {"", ""}}, 
   {1991.3583, 14.495925, "Meta"} -> {{57092, 58341, 68987}, {"", ""}}, 
   {494.3971, 14.493335, "Meta"} -> {{1010015, 1, 1}, {"", ""}}, 
   {592.4704, 14.502999, "Meta"} -> {{2614128, 518447, 539460}, {"", ""}}, 
   {919.681, 14.505394, "Meta"} -> {{21863, 32698, 41498}, {"", ""}}, 
   {807.8639, 14.509769, "Meta"} -> {{37346, 46660, 40002}, {"", ""}}, 
   {1903.3048, 14.502486, "Meta"} -> {{61320, 75623, 35115}, {"", ""}}, 
   {793.1883, 14.512266, "Meta"} -> {{25211, 26384, 25129}, {"", ""}}, 
   {1952.2863, 14.502277, "Meta"} -> {{81687, 1, 1}, {"", ""}}, 
   {1869.194, 14.502086, "Meta"} -> {{1, 73037, 1}, {"", ""}}, 
   {1908.2607, 14.504808, "Meta"} -> {{92494, 82472, 1}, {"", ""}}, 
   {1820.2089, 14.511034, "Meta"} -> {{133619, 113923, 1}, {"", ""}}, 
   {963.707, 14.513001, "Meta"} -> {{14969, 31140, 37863}, {"", ""}}, 
   {1781.1418, 14.511568, "Meta"} -> {{1, 85324, 60810}, {"", ""}}, 
   {1776.1823, 14.514804, "Meta"} -> {{144402, 1, 119917}, {"", ""}}, 
   {386.3397, 14.511031, "Meta"} -> {{1812901, 1303638, 1368956}, 
     {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=96.95, overall=48.47, KEGG \
ID=, CAS ID= ]", ""}}, {1815.2509, 14.512214, "Meta"} -> 
    {{92557, 1, 1}, {"", ""}}, {252.2088, 14.522425, "Meta"} -> 
    {{35404, 40367, 48653}, {"2E,4E-hexadecadienoic acid [ C16 H28 O2, \
db=60.20, overall=30.10, Lipid ID=, KEGG ID= ]", ""}}, 
   {1771.2264, 14.515609, "Meta"} -> {{90544, 1, 149152}, {"", ""}}, 
   {294.2194, 14.478001, "Meta"} -> {{20216, 54875, 19280}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=80.00, overall=40.00, \
Lipid ID=, KEGG ID= ]", ""}}, {546.4281, 14.479806, "Meta"} -> 
    {{428698, 363684, 458782}, {"", ""}}, {749.1626, 14.516725, "Meta"} -> 
    {{40676, 61751, 60698}, {"", ""}}, {596.4413, 14.516907, "Meta"} -> 
    {{177719, 175199, 202821}, {"", ""}}, {278.2243, 14.527305, "Meta"} -> 
    {{292819, 329016, 305804}, {"beta-eleostearic acid [ C18 H30 O2, \
db=62.70, overall=31.35, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {763.8373, 14.514566, "Meta"} -> {{55516, 42561, 66034}, {"", ""}}, 
   {276.2084, 14.51291, "Meta"} -> {{43293, 35073, 35735}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=79.59, overall=39.79, Lipid \
ID=, KEGG ID= ]", ""}}, {1222.882, 14.507078, "Meta"} -> 
    {{60081, 53936, 45947}, {"", ""}}, {1693.0908, 14.519001, "Meta"} -> 
    {{73018, 66867, 62170}, {"", ""}}, {1683.1736, 14.522961, "Meta"} -> 
    {{129871, 1, 1}, {"", ""}}, {576.4755, 14.530964, "Meta"} -> 
    {{892529, 879620, 873072}, {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadieno\
yl)-sn-glycerol [ C36 H64 O5, db=81.99, overall=40.99, KEGG ID=, CAS ID= ]", 
      ""}}, {1112.8135, 14.532041, "Meta"} -> {{45754, 45304, 73144}, 
     {"", ""}}, {1551.0957, 14.537624, "Meta"} -> 
    {{1, 126329, 143399}, {"", ""}}, {1507.0687, 14.543251, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1463.0459, 14.548631, "Meta"} -> 
    {{42548, 78212, 144770}, {"", ""}}, {412.2124, 14.560958, "Meta"} -> 
    {{1, 20270, 1}, {"", ""}}, {264.2448, 14.558638, "Meta"} -> 
    {{78351, 128118, 121291}, {"9,12-octadecadienal [ C18 H32 O, db=90.59, \
overall=45.30, Lipid ID=, KEGG ID= ]", ""}}, {296.2707, 14.557776, "Meta"} -> 
    {{7293431, 5394589, 1.02*^7}, {"10-methylene-octadecanoic acid [ C19 H36 \
O2, db=84.40, overall=42.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {394.2399, 14.56191, "Meta"} -> {{68027, 76586, 1}, {"", ""}}, 
   {356.3036, 14.558113, "Meta"} -> {{254611, 411209, 292188}, {"", ""}}, 
   {313.2974, 14.558834, "Meta"} -> {{2267447, 4352961, 4312155}, 
     {"N-(2-hydroxyethyl)heptadecanamide [ C19 H39 N O2, db=99.60, \
overall=49.80, KEGG ID=, CAS ID= ]", ""}}, {327.3145, 14.5584135, "Meta"} -> 
    {{13403, 25948, 1}, {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, \
db=63.74, overall=31.87, KEGG ID=, CAS ID= ]", ""}}, 
   {496.4124, 14.55775, "Meta"} -> {{45277, 70983, 94864}, {"", ""}}, 
   {1330.9644, 14.569345, "Meta"} -> {{1, 41887, 1}, {"", ""}}, 
   {1224.9006, 14.558654, "Meta"} -> {{1, 88696, 79192}, {"", ""}}, 
   {719.8112, 14.559839, "Meta"} -> {{54757, 18418, 1}, {"", ""}}, 
   {323.3189, 14.573417, "Meta"} -> {{725416, 325613, 357322}, {"", ""}}, 
   {2054.3523, 14.574896, "Meta"} -> {{47319, 45110, 33838}, {"", ""}}, 
   {563.4318, 14.564408, "Meta"} -> {{740582, 1026219, 822452}, {"", ""}}, 
   {827.2118, 14.585125, "Meta"} -> {{49146, 47985, 45748}, {"", ""}}, 
   {387.3137, 14.578861, "Meta"} -> {{62578, 151251, 118018}, {"", ""}}, 
   {1128.8441, 14.582754, "Meta"} -> {{44194, 48051, 49651}, {"", ""}}, 
   {180.1507, 14.5836115, "Meta"} -> {{1, 44786, 43203}, 
     {"3,6,8-dodecatrien-1-ol [ C12 H20 O, db=70.80, overall=35.40, Lipid \
ID=, KEGG ID= ]", ""}}, {435.3027, 14.588826, "Meta"} -> 
    {{202633, 98016, 192762}, {"", ""}}, {394.3806, 14.587612, "Meta"} -> 
    {{114223, 127393, 113951}, {"Ximenic acid [ C26 H50 O2, db=85.28, \
overall=42.64, Lipid ID=LMFA01030095, KEGG ID= ]", ""}}, 
   {337.3338, 14.585556, "Meta"} -> {{2.4*^7, 9265538, 2.73*^7}, {"", ""}}, 
   {198.1615, 14.583165, "Meta"} -> {{119437, 157647, 125755}, 
     {"9-lauroleic acid [ C12 H22 O2, db=95.30, overall=47.65, Lipid \
ID=LMFA01030041, KEGG ID= ]", ""}}, {457.3779, 14.587459, "Meta"} -> 
    {{130303, 90542, 169169}, {"", ""}}, {397.3668, 14.5889435, "Meta"} -> 
    {{1682546, 818595, 1461948}, {"", ""}}, {518.3949, 14.583486, "Meta"} -> 
    {{304756, 369624, 356366}, {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)\
vitamin D3 / 1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, \
db=54.02, overall=27.01, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {382.3923, 14.588941, "Meta"} -> {{257050, 1, 725947}, {"", ""}}, 
   {618.6064, 14.58071, "Meta"} -> {{137101, 109033, 170043}, {"", ""}}, 
   {2010.329, 14.5813465, "Meta"} -> {{64462, 20705, 52373}, {"", ""}}, 
   {749.5934, 14.587584, "Meta"} -> {{134977, 101083, 183413}, {"", ""}}, 
   {434.3736, 14.585371, "Meta"} -> {{68807, 81747, 76276}, 
     {"6-deoxoteasterone [ C28 H50 O3, db=57.43, overall=28.72, Lipid \
ID=LMST01030120, KEGG ID= ]", ""}}, {368.3762, 14.587169, "Meta"} -> 
    {{74412, 53722, 140459}, {"", ""}}, {675.7857, 14.585401, "Meta"} -> 
    {{32223, 30479, 1}, {"", ""}}, {570.4849, 14.596359, "Meta"} -> 
    {{62183, 56788, 56634}, {"Dihydrospheroidene/ Methoxyneurosporene [ C41 \
H62 O, db=48.91, overall=24.45, Lipid ID=LMPR01070149, KEGG ID= ]", ""}}, 
   {646.5057, 14.597443, "Meta"} -> {{2238355, 2172417, 2117784}, {"", ""}}, 
   {777.6257, 14.593777, "Meta"} -> {{2120619, 711291, 1574589}, {"", ""}}, 
   {1878.251, 14.597361, "Meta"} -> {{1, 72357, 71222}, {"", ""}}, 
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    {{258495, 154791, 142485}, {"", ""}}, {710.4678, 14.679098, "Meta"} -> 
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    {{370054, 360303, 390076}, {"", ""}}, {316.2608, 14.722626, "Meta"} -> 
    {{663852, 672064, 675820}, {"7,8-dihydroxy stearic acid [ C18 H36 O4, \
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     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=96.33, overall=48.16, \
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     {"TG(17:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] [ C60 H98 \
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     {"25-hydroxy-26,27-dimethylvitamin D3 / \
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    {{466323, 1, 467334}, {"", ""}}, {509.4806, 14.9780655, "Meta"} -> 
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   {430.1711, 14.9816675, "Meta"} -> {{82148, 63279, 59805}, {"", ""}}, 
   {430.3446, 14.98436, "Meta"} -> {{523237, 537739, 591948}, 
     {"2beta-methyl-1alpha,25-dihydroxyvitamin D_3 / \
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   {500.3479, 14.986893, "Meta"} -> {{40787, 44288, 1}, {"", ""}}, 
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    {{395281, 1, 282910}, {"", ""}}, {838.69, 15.756972, "Meta"} -> 
    {{187613, 207433, 275297}, {"", ""}}, {826.6931, 15.772778, "Meta"} -> 
    {{2214836, 2223977, 2428438}, {"", ""}}, {578.5272, 15.79175, "Meta"} -> 
    {{1920147, 1019659, 1088941}, {"", ""}}, {646.4517, 15.798346, "Meta"} -> 
    {{35452, 28911, 21726}, {"GPA(14:0/18:1(9Z)) [ C35 H67 O8 P, db=53.75, \
overall=26.87, Lipid ID=LMGP10010019, KEGG ID= ]", ""}}, 
   {629.6106, 15.80247, "Meta"} -> {{91741, 120261, 118532}, {"", ""}}, 
   {647.6218, 15.803638, "Meta"} -> {{498348, 643942, 637697}, 
     {"Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, db=94.85, overall=47.43, \
HMP ID=HMDB04953, KEGG ID= ]", ""}}, {618.52, 15.807126, "Meta"} -> 
    {{1, 1, 1976965}, {"1-octadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-gly\
cerol [ C39 H70 O5, db=91.14, overall=45.57, KEGG ID=, CAS ID= ]", ""}}, 
   {800.6776, 15.794722, "Meta"} -> {{2464779, 2645183, 2791061}, {"", ""}}, 
   {613.5643, 15.813304, "Meta"} -> {{3075452, 1766436, 1798447}, {"", ""}}, 
   {720.5875, 15.822541, "Meta"} -> {{469990, 1, 285861}, 
     {"GPCho(O-16:0/16:0) [ C40 H83 N O7 P, db=74.12, overall=37.06, Lipid \
ID=LMGP01020029, KEGG ID= ]", ""}}, {863.6402, 15.794833, "Meta"} -> 
    {{732238, 662680, 645317}, {"", ""}}, {661.637, 15.824202, "Meta"} -> 
    {{49880, 84452, 103172}, {"", ""}}, {813.6251, 15.798603, "Meta"} -> 
    {{7853786, 5533169, 5216598}, {"", ""}}, {847.6456, 15.813998, "Meta"} -> 
    {{3161631, 2730801, 3929187}, {"", ""}}, {551.4249, 15.827079, "Meta"} -> 
    {{23999, 23560, 22347}, {"", ""}}, {797.6297, 15.801678, "Meta"} -> 
    {{4365560, 1, 4189803}, {"", ""}}, {661.4929, 15.831914, "Meta"} -> 
    {{57031, 56809, 48122}, {"", ""}}, {605.6104, 15.850416, "Meta"} -> 
    {{174330, 214156, 217445}, {"", ""}}, {834.2323, 15.869839, "Meta"} -> 
    {{54835, 43606, 34948}, {"", ""}}, {831.2332, 15.870869, "Meta"} -> 
    {{174854, 145408, 129332}, {"", ""}}, {627.5816, 15.898941, "Meta"} -> 
    {{466011, 100894, 290202}, {"", ""}}, {631.6267, 15.875499, "Meta"} -> 
    {{316662, 464945, 379748}, {"", ""}}, {592.5431, 15.88767, "Meta"} -> 
    {{251053, 126178, 133485}, {"", ""}}, {801.6253, 15.848322, "Meta"} -> 
    {{759925, 563153, 663481}, {"GPEtn(22:1(13Z)/18:0)[U] [ C45 H88 N O8 P, \
db=86.54, overall=43.27, Lipid ID=LMGP02010033, KEGG ID= ]", ""}}, 
   {632.5355, 15.902878, "Meta"} -> {{1, 214267, 244826}, 
     {"1-(9Z-heptadecenoyl)-2-(11Z,14Z-eicosadienoyl)-sn-glycerol [ C40 H72 \
O5, db=87.97, overall=43.98, KEGG ID=, CAS ID= ]", ""}}, 
   {839.6394, 15.8606, "Meta"} -> {{905126, 591468, 627085}, {"", ""}}, 
   {814.6932, 15.912194, "Meta"} -> {{5455007, 5254189, 6399753}, {"", ""}}, 
   {852.6397, 15.911029, "Meta"} -> {{184743, 225164, 196955}, {"", ""}}, 
   {773.63, 15.906822, "Meta"} -> {{2195680, 1949513, 1917957}, {"", ""}}, 
   {823.6456, 15.917723, "Meta"} -> {{8353681, 6663791, 7540433}, {"", ""}}, 
   {649.6372, 15.946309, "Meta"} -> {{339317, 488037, 469738}, 
     {"N-Lignoceroylsphingosine [ C42 H83 N O3, db=98.89, overall=49.44, HMP \
ID=HMDB00831, KEGG ID= ]", ""}}, {861.593, 15.911041, "Meta"} -> 
    {{116734, 110199, 117101}, {"", ""}}, {849.6617, 15.960544, "Meta"} -> 
    {{9032040, 8312175, 9312743}, {"", ""}}, {606.5589, 16.002474, "Meta"} -> 
    {{4796859, 2397705, 2609555}, {"", ""}}, {887.608, 15.950258, "Meta"} -> 
    {{132613, 138145, 145282}, {"", ""}}, {646.5512, 16.021963, "Meta"} -> 
    {{7082892, 4852441, 1}, {"1-(9Z-octadecenoyl)-2-(11Z,14Z-eicosadienoyl)-s\
n-glycerol [ C41 H74 O5, db=90.48, overall=45.24, KEGG ID=, CAS ID= ]", ""}}, 
   {669.6274, 16.021229, "Meta"} -> {{1077277, 554041, 693537}, {"", ""}}, 
   {663.653, 16.021738, "Meta"} -> {{63521, 76541, 81131}, 
     {"Ceramide (d18:1/25:0) [ C43 H85 N O3, db=93.46, overall=46.73, HMP \
ID=HMDB04957, KEGG ID= ]", ""}}, {580.3012, 15.999072, "Meta"} -> 
    {{63637, 97245, 89907}, {"", ""}}, {641.5965, 16.03561, "Meta"} -> 
    {{6804014, 4048290, 4261378}, {"", ""}}, {633.6424, 16.0732, "Meta"} -> 
    {{382313, 437361, 473612}, {"", ""}}, {875.6776, 16.05178, "Meta"} -> 
    {{5610744, 5023332, 6888321}, {"", ""}}, {877.6932, 16.229668, "Meta"} -> 
    {{1.18*^7, 9933119, 1.12*^7}, {"", ""}}, {903.7076, 16.322107, "Meta"} -> 
    {{1575933, 1685847, 1614452}, {"", ""}}, 
   {958.9559, 0.36646155, "Meta"} -> {{1, 26052, 28334}, {"", ""}}, 
   {2422.0625, 0.37100002, "Meta"} -> {{30160, 1, 27406}, {"", ""}}, 
   {1742.01, 0.37975758, "Meta"} -> {{41520, 38944, 40985}, {"", ""}}, 
   {1578.0028, 0.38074994, "Meta"} -> {{51333, 1, 45120}, {"", ""}}, 
   {1988.023, 0.37995836, "Meta"} -> {{29440, 26373, 24876}, {"", ""}}, 
   {1824.0161, 0.38057694, "Meta"} -> {{39061, 1, 30050}, {"", ""}}, 
   {547.9159, 0.39203572, "Meta"} -> {{153046, 127919, 1}, {"", ""}}, 
   {721.7918, 0.40096295, "Meta"} -> {{72714, 1, 18339}, {"", ""}}, 
   {557.7853, 0.40799993, "Meta"} -> {{158417, 145407, 147114}, {"", ""}}, 
   {791.6165, 0.41215378, "Meta"} -> {{42763, 16252, 1}, {"", ""}}, 
   {633.7165, 0.41170967, "Meta"} -> {{1, 27518, 23674}, {"", ""}}, 
   {252.1202, 0.45106667, "Meta"} -> {{77582, 67979, 75267}, 
     {"Pro His [ C11 H16 N4 O3, db=76.47, overall=38.23 ]", ""}}, 
   {246.1942, 0.46209374, "Meta"} -> {{85172, 81923, 87005}, {"", ""}}, 
   {278.1842, 0.46203128, "Meta"} -> {{73755, 81361, 75395}, {"", ""}}, 
   {304.1997, 0.46772003, "Meta"} -> {{50873, 50928, 50277}, {"", ""}}, 
   {218.1628, 0.46839395, "Meta"} -> {{89088, 74134, 75041}, {"", ""}}, 
   {274.1643, 0.46503848, "Meta"} -> {{67841, 73797, 73222}, 
     {"Ala Gly Lys [ C11 H22 N4 O4, db=47.47, overall=23.74 ]", ""}}, 
   {380.0201, 0.5091111, "Meta"} -> {{319019, 325988, 357494}, {"", ""}}, 
   {352.0515, 0.53367996, "Meta"} -> {{1, 1, 64514}, {"", ""}}, 
   {135.068, 0.55345714, "Meta"} -> {{199697, 208054, 207858}, 
     {"2-Phenylacetamide [ C8 H9 N O, db=85.97, overall=42.98, KEGG \
ID=C02505, CAS ID=103-81-1 ]", "103-81-1"}}, {281.1835, 0.605074, "Meta"} -> 
    {{1, 137416, 86566}, {"", ""}}, {115.0629, 0.69411117, "Meta"} -> 
    {{1, 201408, 463286}, {"Proline [ C5 H9 N O2, db=79.13, overall=39.57, \
KEGG ID=C00148, CAS ID=147-85-3 ]", "147-85-3"}}, 
   {131.0587, 0.6995, "Meta"} -> {{160655, 49649, 105157}, 
     {"Trans-4-Hydroxy-L-proline [ C5 H9 N O3, db=60.12, overall=30.06, KEGG \
ID=, CAS ID=51-35-4 ]", "51-35-4"}}, {526.0667, 0.66112, "Meta"} -> 
    {{27649, 29912, 32022}, {"", ""}}, {380.0206, 0.6642414, "Meta"} -> 
    {{246722, 248214, 231744}, {"", ""}}, {306.0645, 0.74877775, "Meta"} -> 
    {{1, 91276, 81979}, {"", ""}}, {382.1085, 0.74347997, "Meta"} -> 
    {{1, 48986, 61263}, {"", ""}}, {345.1429, 0.8536799, "Meta"} -> 
    {{1, 1, 54783}, {"", ""}}, {138.0291, 0.95441395, "Meta"} -> 
    {{85293, 65033, 1}, {"", ""}}, {172.0702, 0.99353826, "Meta"} -> 
    {{2.58*^7, 2.13*^7, 1}, {"", ""}}, {167.1155, 1.0165, "Meta"} -> 
    {{1, 475494, 453275}, {"", ""}}, {374.102, 1.0232002, "Meta"} -> 
    {{105984, 1, 55453}, {"", ""}}, {143.0731, 1.2776923, "Meta"} -> 
    {{1, 485956, 481154}, {"", ""}}, {145.0524, 1.2775834, "Meta"} -> 
    {{888584, 853377, 752008}, {"Isoquinoline N-oxide [ C9 H7 N O, db=90.43, \
overall=45.21, KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, 
   {219.1104, 1.44356, "Meta"} -> {{1, 21030, 29735}, 
     {"Pantothenic Acid [ C9 H17 N O5, db=54.47, overall=27.23, KEGG ID=, CAS \
ID=137-08-6 ]", "137-08-6"}}, {309.1688, 3.743654, "Meta"} -> 
    {{32779, 34470, 54311}, 
     {"Pro Pro Pro [ C15 H23 N3 O4, db=83.74, overall=41.87 ]", ""}}, 
   {579.254, 6.318081, "Meta"} -> {{1, 1, 1}, {"2-[[(3a,5b,7b)-7-hydroxy-24-o\
xo-3-(sulfooxy)cholan-24-yl]amino]-Ethanesulfonic acid [ C26 H45 N O9 S2, \
db=83.71, overall=41.85, HMP ID=HMDB02449, KEGG ID= ]", ""}}, 
   {419.4932, 6.474, "Meta"} -> {{23021, 1, 1}, {"", ""}}, 
   {723.3073, 6.4805007, "Meta"} -> {{1, 28024, 28678}, {"", ""}}, 
   {420.8636, 6.645, "Meta"} -> {{68486, 73178, 82296}, {"", ""}}, 
   {414.1035, 7.120406, "Meta"} -> {{22082, 24292, 26996}, {"", ""}}, 
   {1517.675, 7.538903, "Meta"} -> {{87631, 96169, 99601}, {"", ""}}, 
   {1106.4865, 7.75332, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {427.849, 7.8510604, "Meta"} -> {{65221, 1, 77098}, {"", ""}}, 
   {239.9882, 8.1396, "Meta"} -> {{532815, 1, 121308}, {"", ""}}, 
   {313.2252, 8.670879, "Meta"} -> {{54904, 44539, 45107}, {"", ""}}, 
   {465.1866, 8.675655, "Meta"} -> {{99482, 115175, 115875}, 
     {"Biotripyrrin-b [ C25 H27 N3 O6, db=43.66, overall=21.83, HMP \
ID=HMDB03324, KEGG ID= ]", ""}}, {602.3041, 9.497844, "Meta"} -> 
    {{22801, 27013, 24849}, {"", ""}}, {559.2988, 9.497002, "Meta"} -> 
    {{23380, 24777, 23235}, {"", ""}}, {263.127, 9.515958, "Meta"} -> 
    {{1, 25081, 22058}, {"", ""}}, {420.2259, 9.685075, "Meta"} -> 
    {{1, 1, 27911}, 
     {"His His Lys [ C18 H28 N8 O4, db=54.50, overall=27.25 ]", ""}}, 
   {240.1338, 9.749299, "Meta"} -> {{1, 25159, 1}, {"", ""}}, 
   {176.0454, 9.963879, "Meta"} -> {{38690, 37931, 1}, {"", ""}}, 
   {533.1125, 10.0555, "Meta"} -> {{45020, 32923, 28661}, 
     {"Indomethacin glucuronide [ C25 H24 Cl N O10, db=40.58, overall=20.29, \
KEGG ID=, CAS ID=75523-11-4 ]", "75523-11-4"}}, 
   {593.1437, 10.055286, "Meta"} -> {{40971, 41627, 29844}, {"", ""}}, 
   {536.1192, 10.055125, "Meta"} -> {{18401, 1, 13656}, {"", ""}}, 
   {335.1544, 10.10977, "Meta"} -> {{21155, 27145, 30439}, 
     {"Cys Leu Thr [ C13 H25 N3 O5 S, db=37.55, overall=18.77 ]", ""}}, 
   {630.2684, 10.324069, "Meta"} -> {{1, 1, 31135}, {"", ""}}, 
   {219.129, 10.36744, "Meta"} -> {{45927, 62163, 72445}, {"", ""}}, 
   {250.1198, 10.418655, "Meta"} -> {{23894, 23832, 33565}, 
     {"Ubiquinone [ C14 H18 O4, db=60.72, overall=30.36, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {302.184, 10.730654, "Meta"} -> 
    {{29524, 32309, 36189}, {"", ""}}, {323.228, 10.9723625, "Meta"} -> 
    {{70680, 430331, 436724}, {"", ""}}, {171.162, 11.016933, "Meta"} -> 
    {{40398, 23586, 31136}, {"", ""}}, {564.3483, 11.143167, "Meta"} -> 
    {{124184, 148969, 142393}, {"", ""}}, {273.0832, 11.159881, "Meta"} -> 
    {{1, 33473, 41899}, {"", ""}}, {503.2805, 11.289723, "Meta"} -> 
    {{20708, 18184, 28068}, {"", ""}}, {396.1934, 11.289607, "Meta"} -> 
    {{42367, 29133, 42078}, {"Pregnenolone sulfate [ C21 H32 O5 S, db=58.26, \
overall=29.13, HMP ID=HMDB00774, KEGG ID= ]", ""}}, 
   {475.2532, 11.290502, "Meta"} -> {{1, 50437, 68435}, {"", ""}}, 
   {632.2486, 11.370108, "Meta"} -> {{1, 52937, 63659}, {"", ""}}, 
   {580.226, 11.39536, "Meta"} -> {{16483, 21394, 21121}, {"", ""}}, 
   {456.167, 11.397059, "Meta"} -> {{34738, 32654, 32308}, {"", ""}}, 
   {395.3032, 11.612541, "Meta"} -> {{39340, 28138, 31695}, {"", ""}}, 
   {360.3347, 11.940929, "Meta"} -> {{1, 18122, 19739}, {"", ""}}, 
   {171.1081, 11.943874, "Meta"} -> {{556009, 1, 559806}, {"", ""}}, 
   {396.2831, 12.028556, "Meta"} -> {{26194, 1, 166358}, {"", ""}}, 
   {313.2616, 12.047375, "Meta"} -> {{271916, 272786, 254597}, {"", ""}}, 
   {842.5207, 12.128361, "Meta"} -> {{93402, 1, 1}, 
     {"Spiramycin 1 [ C43 H74 N2 O14, db=60.72, overall=30.36, KEGG \
ID=C01754, CAS ID=24916-50-5 ]", "24916-50-5"}}, 
   {604.1137, 12.167592, "Meta"} -> {{12690, 1, 17984}, {"", ""}}, 
   {381.9989, 12.185469, "Meta"} -> {{16765, 17832, 23416}, {"", ""}}, 
   {572.2186, 12.2466, "Meta"} -> {{1, 15227, 16500}, {"", ""}}, 
   {396.1641, 12.277833, "Meta"} -> {{31376, 30853, 32432}, 
     {"Asn Tyr Thr [ C17 H24 N4 O7, db=61.81, overall=30.90 ]", ""}}, 
   {254.0726, 12.292558, "Meta"} -> {{33025, 17857, 54060}, 
     {"Acetaminophen-cysteine [ C11 H14 N2 O3 S, db=76.73, overall=38.36, \
KEGG ID=, CAS ID=64014-06-8 ]", "64014-06-8"}}, 
   {322.1171, 12.32875, "Meta"} -> {{1, 18936, 14308}, {"", ""}}, 
   {614.4236, 12.339584, "Meta"} -> {{1, 153560, 148766}, {"", ""}}, 
   {323.2098, 12.388596, "Meta"} -> {{107313, 92367, 97124}, 
     {"Betaxolol(hydroxylation) [ C18 H29 N O4, db=71.49, overall=35.74, KEGG \
ID=, CAS ID=87549-35-7 ]", "87549-35-7"}}, {618.251, 12.430832, "Meta"} -> 
    {{50253, 41196, 43902}, {"", ""}}, {438.3565, 12.462166, "Meta"} -> 
    {{35212, 30300, 35859}, {"", ""}}, {724.4581, 12.46508, "Meta"} -> 
    {{71808, 1, 75483}, {"", ""}}, {336.228, 12.510321, "Meta"} -> 
    {{96494, 93606, 93609}, {"15-epi-PGA1 [ C20 H32 O4, db=70.01, \
overall=35.01, Lipid ID=LMFA03010047, KEGG ID= ]", ""}}, 
   {431.3032, 12.516041, "Meta"} -> {{234898, 206866, 1}, {"", ""}}, 
   {339.2776, 12.558571, "Meta"} -> {{66526, 61098, 51268}, {"", ""}}, 
   {359.2849, 12.620791, "Meta"} -> {{139258, 161550, 166379}, {"", ""}}, 
   {1120.5815, 12.721594, "Meta"} -> {{649793, 572223, 31475}, {"", ""}}, 
   {360.0762, 12.647442, "Meta"} -> {{9391, 15701, 1}, {"", ""}}, 
   {870.5521, 12.68296, "Meta"} -> {{105976, 1, 99700}, {"", ""}}, 
   {594.374, 12.7149315, "Meta"} -> {{73033, 66490, 60096}, 
     {"7,8-Didehydroastaxanthin [ C40 H50 O4, db=74.93, overall=37.46, Lipid \
ID=LMPR01070051, KEGG ID= ]", ""}}, {909.6228, 12.728479, "Meta"} -> 
    {{59233, 65481, 81730}, {"", ""}}, {372.2657, 12.741412, "Meta"} -> 
    {{26117, 38083, 25145}, {"(22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid \
[ C24 H36 O3, db=63.76, overall=31.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {354.3241, 12.753935, "Meta"} -> {{1, 34391, 1}, {"", ""}}, 
   {633.4446, 12.767465, "Meta"} -> {{1, 45631, 44292}, {"", ""}}, 
   {638.4002, 12.7673855, "Meta"} -> {{40789, 1, 1}, {"", ""}}, 
   {546.238, 12.80944, "Meta"} -> {{79729, 69568, 58151}, {"", ""}}, 
   {430.2145, 12.858498, "Meta"} -> {{23761, 38757, 37984}, {"", ""}}, 
   {381.2643, 12.864834, "Meta"} -> {{88015, 94985, 100640}, 
     {"Sphinganine 1-phosphate [ C18 H40 N O5 P, db=61.19, overall=30.59, \
KEGG ID=C01120, CAS ID=19794-97-9 ]", "19794-97-9"}}, 
   {598.4292, 12.9028635, "Meta"} -> {{70460, 408891, 78274}, {"", ""}}, 
   {914.5791, 12.90653, "Meta"} -> {{47584, 53038, 50561}, {"", ""}}, 
   {909.6228, 12.903775, "Meta"} -> {{49660, 50519, 55027}, {"", ""}}, 
   {262.1504, 12.906483, "Meta"} -> {{19632, 26789, 26137}, {"", ""}}, 
   {1613.9202, 12.9604435, "Meta"} -> {{23586, 18740, 13130}, {"", ""}}, 
   {519.8025, 12.93093, "Meta"} -> {{89007, 94890, 86129}, {"", ""}}, 
   {982.6032, 12.922208, "Meta"} -> {{62540, 68125, 76142}, {"", ""}}, 
   {1024.6497, 12.9421835, "Meta"} -> {{693561, 684354, 1125711}, {"", ""}}, 
   {1148.6115, 12.963801, "Meta"} -> {{102259, 100534, 88380}, {"", ""}}, 
   {507.3326, 12.98204, "Meta"} -> {{122900, 1, 97263}, {"", ""}}, 
   {1559.8555, 12.970627, "Meta"} -> {{21643, 20463, 19436}, {"", ""}}, 
   {1042.6005, 12.993199, "Meta"} -> {{192111, 176914, 181858}, {"", ""}}, 
   {1037.118, 13.003001, "Meta"} -> {{29282, 1, 32621}, {"", ""}}, 
   {427.3661, 13.001041, "Meta"} -> {{505644, 359127, 348833}, 
     {"Stearoylcarnitine [ C25 H49 N O4, db=99.56, overall=49.78, HMP \
ID=HMDB00848, KEGG ID= ]", ""}}, {1065.1241, 13.043728, "Meta"} -> 
    {{172999, 146027, 134317}, {"", ""}}, {3153.9402, 13.013799, "Meta"} -> 
    {{60853, 74573, 58938}, {"", ""}}, {1062.6643, 13.043032, "Meta"} -> 
    {{3.88*^7, 4.62*^7, 3.84*^7}, {"", ""}}, 
   {1691.9418, 13.075117, "Meta"} -> {{80395, 74444, 80304}, {"", ""}}, 
   {1124.6125, 13.074121, "Meta"} -> {{1, 571429, 525610}, {"", ""}}, 
   {840.5426, 13.075176, "Meta"} -> {{178696, 173431, 182877}, {"", ""}}, 
   {1610.915, 13.078408, "Meta"} -> {{73623, 128108, 88984}, {"", ""}}, 
   {183.0655, 13.115752, "Meta"} -> {{170134, 149134, 167641}, {"", ""}}, 
   {2538.609, 13.147432, "Meta"} -> {{66758, 59922, 56063}, {"", ""}}, 
   {2562.6084, 13.136644, "Meta"} -> {{135139, 139662, 79073}, {"", ""}}, 
   {545.2796, 13.128334, "Meta"} -> {{27259, 22622, 24146}, {"", ""}}, 
   {1553.9612, 13.132172, "Meta"} -> {{1, 109450, 129410}, {"", ""}}, 
   {569.3479, 13.150904, "Meta"} -> {{1678876, 1589524, 1918521}, {"", ""}}, 
   {1354.8588, 13.150917, "Meta"} -> {{41929, 28251, 34996}, {"", ""}}, 
   {1645.9559, 13.165126, "Meta"} -> {{84797, 70115, 87701}, {"", ""}}, 
   {559.2929, 13.138584, "Meta"} -> {{23764, 1, 83232}, {"", ""}}, 
   {384.2382, 13.160249, "Meta"} -> {{31305, 21076, 25439}, {"", ""}}, 
   {883.525, 13.1601515, "Meta"} -> {{117390, 92044, 103997}, {"", ""}}, 
   {319.2722, 13.161035, "Meta"} -> {{501127, 287032, 324627}, {"", ""}}, 
   {662.3214, 13.161371, "Meta"} -> {{22531, 14357, 26395}, {"", ""}}, 
   {643.322, 13.174154, "Meta"} -> {{16831, 26472, 1}, {"", ""}}, 
   {583.2961, 13.172579, "Meta"} -> {{116596, 171590, 148329}, {"", ""}}, 
   {1505.898, 13.17625, "Meta"} -> {{25076, 22475, 23308}, {"", ""}}, 
   {970.6001, 13.182221, "Meta"} -> {{353031, 1, 450130}, {"", ""}}, 
   {3039.9446, 13.20112, "Meta"} -> {{33145, 91958, 42445}, {"", ""}}, 
   {2967.8972, 13.195209, "Meta"} -> {{46931, 41952, 43022}, {"", ""}}, 
   {2498.639, 13.222151, "Meta"} -> {{134242, 106574, 265944}, {"", ""}}, 
   {1512.0118, 13.256168, "Meta"} -> {{295410, 239491, 357188}, {"", ""}}, 
   {788.5499, 13.282076, "Meta"} -> {{37264, 40290, 1}, {"", ""}}, 
   {1557.9952, 13.283399, "Meta"} -> {{362043, 338767, 537312}, {"", ""}}, 
   {2664.6548, 13.3012495, "Meta"} -> {{1, 230132, 261869}, {"", ""}}, 
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   {400.2826, 13.33677, "Meta"} -> {{69124, 36663, 31307}, 
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   {1002.7006, 13.568126, "Meta"} -> {{391120, 381194, 643520}, {"", ""}}, 
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   {330.2768, 13.61125, "Meta"} -> {{8615628, 2538599, 5124604}, 
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   {404.2562, 13.6432905, "Meta"} -> {{42501, 111305, 28715}, 
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     {"11-cis-Retinol [ C20 H30 O, db=65.17, overall=32.58, Lipid \
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   {1372.908, 13.695891, "Meta"} -> {{151816, 135594, 142863}, {"", ""}}, 
   {1523.95, 13.699626, "Meta"} -> {{73100, 76284, 64131}, {"", ""}}, 
   {1004.6844, 13.699296, "Meta"} -> {{626472, 814834, 938458}, {"", ""}}, 
   {1000.5864, 13.70054, "Meta"} -> {{25849, 30372, 26060}, {"", ""}}, 
   {410.2824, 13.69748, "Meta"} -> {{42260, 31119, 33532}, 
     {"24,25-epoxy-1alpha-hydroxy-22,22,23,23-tetradehydrovitamin D3 / \
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    {{73041, 41661, 41031}, {"2H-Indol-2-one, \
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    {{43182, 48399, 47847}, {"", ""}}, {1343.0792, 13.708042, "Meta"} -> 
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    {{334720, 257976, 272226}, {"", ""}}, {948.6602, 13.717423, "Meta"} -> 
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    {{160020, 116907, 152770}, {"", ""}}, {1614.0557, 13.773646, "Meta"} -> 
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    {{1791952, 1, 1716520}, {"", ""}}, {2146.3713, 13.775643, "Meta"} -> 
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   {464.3502, 13.801808, "Meta"} -> {{44696, 34964, 281683}, 
     {"Trihydroxycoprostanoic acid [ C28 H48 O5, db=58.21, overall=29.10, HMP \
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    {{110392, 165255, 150717}, {"", ""}}, {1692.0865, 13.839601, "Meta"} -> 
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    {{206179, 220251, 219531}, {"", ""}}, {286.2509, 13.846881, "Meta"} -> 
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   {444.2414, 13.852252, "Meta"} -> {{23925, 23958, 21656}, {"", ""}}, 
   {696.2766, 13.87254, "Meta"} -> {{63655, 1, 61071}, {"", ""}}, 
   {332.1373, 13.873767, "Meta"} -> {{56613, 47295, 40321}, 
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   {940.4012, 13.875486, "Meta"} -> {{124412, 119196, 12772}, {"", ""}}, 
   {613.7682, 13.876518, "Meta"} -> {{80676, 75690, 64007}, 
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    {{126478, 108144, 116258}, {"", ""}}, {1178.4764, 13.877108, "Meta"} -> 
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    {{1, 159535, 1}, {"", ""}}, {1026.6364, 13.899459, "Meta"} -> 
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    {{285960, 94524, 104686}, {"", ""}}, {457.2311, 13.933417, "Meta"} -> 
    {{92428, 51729, 46027}, {"", ""}}, {625.5645, 13.932321, "Meta"} -> 
    {{555654, 332842, 406048}, {"1,3-di-(9Z-octadecenoyl)-2-hydroxy-sn-glycer\
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   {392.1986, 13.933346, "Meta"} -> {{31508, 1, 47423}, 
     {"Betamethasone [ C22 H29 F O5, db=56.48, overall=28.24, KEGG ID=C06848, \
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    {{288619, 459804, 484970}, {"", ""}}, {905.6038, 13.9305, "Meta"} -> 
    {{154403, 111269, 105287}, {"", ""}}, {326.2818, 13.934208, "Meta"} -> 
    {{306236, 220957, 266374}, {"14R-hydroxy-11Z-eicosenoic acid [ C20 H38 \
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   {1512.9745, 13.943259, "Meta"} -> {{69689, 1, 205073}, {"", ""}}, 
   {404.3248, 13.940714, "Meta"} -> {{359518, 288034, 291246}, {"", ""}}, 
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   {649.4322, 13.963917, "Meta"} -> {{197979, 120739, 192385}, {"", ""}}, 
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   {696.3306, 13.97226, "Meta"} -> {{34198, 25470, 23873}, {"", ""}}, 
   {368.3293, 13.973274, "Meta"} -> {{247551, 41439, 217223}, 
     {"2-oxo-tricosanoic acid [ C23 H44 O3, db=83.10, overall=41.55, Lipid \
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    {{26422, 92139, 91673}, {"", ""}}, {327.3138, 14.019958, "Meta"} -> 
    {{58895, 77412, 91227}, {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, \
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   {432.3443, 14.042667, "Meta"} -> {{8655284, 6541910, 6977165}, {"", ""}}, 
   {1130.752, 14.0565195, "Meta"} -> {{1, 291799, 209572}, {"", ""}}, 
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   {442.3058, 14.054035, "Meta"} -> {{128657, 192340, 1}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
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    {{1, 1, 1}, {"Progesterone [ C21 H30 O2, db=66.34, overall=33.17, KEGG \
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    {{222897, 93986, 211493}, {"tomatidine [ C27 H45 N O2, db=66.95, \
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   {852.6271, 14.121083, "Meta"} -> {{67668, 53357, 1}, {"", ""}}, 
   {1107.9249, 14.142357, "Meta"} -> {{87018, 67786, 83782}, {"", ""}}, 
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   {784.6361, 14.144617, "Meta"} -> {{340738, 194141, 165144}, {"", ""}}, 
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   {798.6034, 14.14996, "Meta"} -> {{103668, 62052, 59030}, 
     {"GPCho(18:0/19:3(9Z,12Z,15Z)[U]) [ C45 H85 N O8 P, db=67.76, \
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   {248.2501, 14.149543, "Meta"} -> {{75982, 74186, 68145}, {"", ""}}, 
   {467.2466, 14.092066, "Meta"} -> {{1, 44549, 16774}, 
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    {{175776, 112011, 111089}, {"", ""}}, {1130.8466, 14.151208, "Meta"} -> 
    {{210877, 156987, 136981}, {"", ""}}, {471.2462, 14.144727, "Meta"} -> 
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    {{66325, 1, 60106}, {"", ""}}, {661.5622, 14.189167, "Meta"} -> 
    {{905662, 113293, 576185}, {"", ""}}, {342.3608, 14.2178755, "Meta"} -> 
    {{25247, 34829, 124460}, {"", ""}}, {381.2554, 14.218654, "Meta"} -> 
    {{19849, 11254, 20102}, {"", ""}}, {592.5907, 14.224184, "Meta"} -> 
    {{79346, 24598, 79049}, {"", ""}}, {354.3608, 14.2303095, "Meta"} -> 
    {{58730, 29319, 130204}, {"", ""}}, {919.6819, 14.234096, "Meta"} -> 
    {{31943, 30667, 1}, {"", ""}}, {551.3956, 14.253501, "Meta"} -> 
    {{980703, 751507, 824614}, {"", ""}}, {342.255, 14.27097, "Meta"} -> 
    {{1.22*^7, 1.64*^7, 1.54*^7}, {"", ""}}, 
   {1114.7946, 14.253259, "Meta"} -> {{82862, 77909, 1}, {"", ""}}, 
   {174.14, 14.273462, "Meta"} -> {{26663, 34450, 1}, {"", ""}}, 
   {540.4366, 14.265166, "Meta"} -> {{1, 1, 118422}, {"", ""}}, 
   {537.5111, 14.26788, "Meta"} -> {{107408, 95534, 97396}, 
     {"N-Palmitoylsphingosine [ C34 H67 N O3, db=97.22, overall=48.61, HMP \
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    {{38919, 58569, 48524}, {"", ""}}, {493.3546, 14.284119, "Meta"} -> 
    {{130598, 140177, 154172}, {"", ""}}, {462.2603, 14.291335, "Meta"} -> 
    {{1, 34412, 76219}, {"Retinyl glucuronide [ C26 H38 O7, db=72.43, \
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   {294.165, 14.293693, "Meta"} -> {{24966, 57711, 99035}, {"", ""}}, 
   {1929.2153, 14.301193, "Meta"} -> {{1, 1, 48332}, {"", ""}}, 
   {1919.2993, 14.301039, "Meta"} -> {{32501, 50774, 51446}, {"", ""}}, 
   {678.0978, 14.303559, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {660.1179, 14.307345, "Meta"} -> {{29973, 40016, 17438}, {"", ""}}, 
   {616.0923, 14.309033, "Meta"} -> {{43768, 49842, 65640}, {"", ""}}, 
   {1968.2823, 14.29344, "Meta"} -> {{30179, 29789, 1}, {"", ""}}, 
   {557.4655, 14.3256235, "Meta"} -> {{86136, 104548, 127111}, {"", ""}}, 
   {210.1611, 14.326935, "Meta"} -> {{19560, 28018, 23931}, 
     {"3E,5E-tridecadienoic acid [ C13 H22 O2, db=51.36, overall=25.68, Lipid \
ID=, KEGG ID= ]", ""}}, {280.2406, 14.322849, "Meta"} -> 
    {{155542, 143714, 207846}, {"13E,17-octadecadienoic acid [ C18 H32 O2, \
db=82.66, overall=41.33, Lipid ID=, KEGG ID= ]", ""}}, 
   {1302.9338, 14.329708, "Meta"} -> {{167563, 250571, 305310}, {"", ""}}, 
   {1224.7938, 14.333634, "Meta"} -> {{68785, 64952, 64113}, {"", ""}}, 
   {1158.784, 14.347498, "Meta"} -> {{42558, 35553, 36751}, {"", ""}}, 
   {412.258, 14.357724, "Meta"} -> {{1.02*^7, 1, 6408801}, {"", ""}}, 
   {224.1775, 14.381326, "Meta"} -> {{726033, 954204, 166644}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=80.34, overall=40.17, \
Lipid ID=, KEGG ID= ]", ""}}, {540.3789, 14.368897, "Meta"} -> 
    {{608702, 804834, 860136}, {"", ""}}, {266.2606, 14.390668, "Meta"} -> 
    {{59411, 44163, 44788}, {"3E,13Z-octadecadien-1-ol [ C18 H34 O, db=80.14, \
overall=40.07, Lipid ID=, KEGG ID= ]", ""}}, 
   {1987.2571, 14.389832, "Meta"} -> {{47005, 19686, 1}, {"", ""}}, 
   {644.4889, 14.399479, "Meta"} -> {{166312, 162979, 139931}, {"", ""}}, 
   {782.5681, 14.399292, "Meta"} -> {{1, 430487, 793097}, 
     {"GPCho(18:1(9Z)/18:3(9Z,12Z,15Z)[U]) [ C44 H81 N O8 P, db=94.15, \
overall=47.08, Lipid ID=LMGP01010899, KEGG ID= ]", ""}}, 
   {1982.2996, 14.399588, "Meta"} -> {{76499, 99396, 73129}, {"", ""}}, 
   {1977.3427, 14.395542, "Meta"} -> {{43454, 1, 1}, {"", ""}}, 
   {415.3658, 14.408801, "Meta"} -> {{97501, 181689, 429539}, {"", ""}}, 
   {1894.2448, 14.404812, "Meta"} -> {{1, 138159, 145280}, {"", ""}}, 
   {539.2676, 14.406583, "Meta"} -> {{1, 11648, 28196}, {"", ""}}, 
   {258.1832, 14.399001, "Meta"} -> {{31877, 37027, 78287}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=63.45, overall=31.73, \
Lipid ID=, KEGG ID= ]", ""}}, {1674.1147, 14.420113, "Meta"} -> 
    {{239997, 257075, 1}, {"", ""}}, {1669.1595, 14.419, "Meta"} -> 
    {{1, 233102, 1}, {"", ""}}, {607.7394, 14.417484, "Meta"} -> 
    {{1, 23659, 23692}, {"", ""}}, {690.5302, 14.423751, "Meta"} -> 
    {{74838, 72527, 63748}, {"", ""}}, {410.3766, 14.434156, "Meta"} -> 
    {{101555, 32765, 118484}, {"", ""}}, {1458.941, 14.442542, "Meta"} -> 
    {{1, 114021, 104567}, {"", ""}}, {1360.9753, 14.447921, "Meta"} -> 
    {{126509, 163459, 163435}, {"", ""}}, {415.4019, 14.450322, "Meta"} -> 
    {{24958, 36186, 38575}, {"", ""}}, {1326.8624, 14.456611, "Meta"} -> 
    {{66002, 55201, 64534}, {"", ""}}, {433.3763, 14.454422, "Meta"} -> 
    {{251076, 107127, 130877}, {"(+/-)N-(2-fluro-ethyl)-2,16,16-trimethyl-5Z,\
8Z,11Z,14Z-tricosatetraenoyl amine [ C28 H48 F N O, db=67.24, overall=33.62, \
Lipid ID=, KEGG ID= ]", ""}}, {450.3702, 14.42675, "Meta"} -> 
    {{1, 419607, 1}, {"3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-one [ \
C28 H50 O4, db=86.51, overall=43.25, Lipid ID=, KEGG ID= ]", ""}}, 
   {998.7598, 14.480124, "Meta"} -> {{1, 25570, 15999}, {"", ""}}, 
   {568.4706, 14.499832, "Meta"} -> {{736379, 118663, 869505}, {"", ""}}, 
   {640.1112, 14.502998, "Meta"} -> {{1, 15192, 44163}, {"", ""}}, 
   {537.4164, 14.511375, "Meta"} -> {{639128, 869639, 861017}, {"", ""}}, 
   {1859.2772, 14.508418, "Meta"} -> {{78583, 104687, 113073}, {"", ""}}, 
   {820.8858, 14.511085, "Meta"} -> {{54672, 62834, 66683}, 
     {"Iohexol [ C19 H26 I3 N3 O9, db=28.84, overall=14.42, KEGG ID=, CAS \
ID=66108-95-0 ]", "66108-95-0"}}, {403.3657, 14.511079, "Meta"} -> 
    {{374125, 296540, 405593}, {"", ""}}, {484.3078, 14.513251, "Meta"} -> 
    {{99405, 42581, 40794}, {"", ""}}, {556.449, 14.513818, "Meta"} -> 
    {{202980, 162619, 170651}, {"", ""}}, {1727.2, 14.51852, "Meta"} -> 
    {{97054, 1, 169791}, {"", ""}}, {371.3507, 14.486881, "Meta"} -> 
    {{58189, 33319, 53148}, {"", ""}}, {1428.9324, 14.556345, "Meta"} -> 
    {{37077, 34777, 26421}, {"", ""}}, {246.2343, 14.558037, "Meta"} -> 
    {{20764, 27524, 33212}, {"Dodecylbenzene [ C18 H30, db=85.43, \
overall=42.71, HMP ID=HMDB03542, KEGG ID= ]", ""}}, 
   {704.547, 14.558501, "Meta"} -> {{53272, 38662, 43174}, {"", ""}}, 
   {353.239, 14.559209, "Meta"} -> {{62942, 77994, 72463}, {"", ""}}, 
   {320.307, 14.586639, "Meta"} -> {{38669, 20902, 33965}, {"", ""}}, 
   {674.1341, 14.583749, "Meta"} -> {{1, 28250, 29683}, {"", ""}}, 
   {1922.2782, 14.597296, "Meta"} -> {{1, 74841, 70783}, {"", ""}}, 
   {648.6536, 14.599898, "Meta"} -> {{299572, 137666, 382291}, {"", ""}}, 
   {721.5625, 14.639969, "Meta"} -> {{1, 94509, 78161}, {"", ""}}, 
   {796.2077, 14.596042, "Meta"} -> {{57359, 82745, 46000}, {"", ""}}, 
   {356.3766, 14.611617, "Meta"} -> {{114538, 134407, 263246}, {"", ""}}, 
   {729.6274, 14.614373, "Meta"} -> {{753027, 166733, 382715}, {"", ""}}, 
   {616.4684, 14.621041, "Meta"} -> {{7126308, 1, 6775995}, {"", ""}}, 
   {292.1672, 14.630277, "Meta"} -> {{202617, 73235, 93332}, {"", ""}}, 
   {783.0571, 14.639333, "Meta"} -> {{15998, 19668, 61952}, {"", ""}}, 
   {516.2764, 14.643195, "Meta"} -> {{95118, 22679, 27857}, {"", ""}}, 
   {126.1405, 14.642334, "Meta"} -> {{129473, 1, 54717}, {"", ""}}, 
   {449.3507, 14.649598, "Meta"} -> {{299284, 1, 197865}, {"", ""}}, 
   {714.5294, 14.645124, "Meta"} -> {{97294, 101126, 95694}, 
     {"1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docos\
ahexaenoyl)-sn-glycerol [ C47 H70 O5, db=26.90, overall=13.45, KEGG ID=, CAS \
ID= ]", ""}}, {148.0158, 14.662999, "Meta"} -> {{276008, 123330, 138885}, 
     {"", ""}}, {1975.3611, 14.680179, "Meta"} -> 
    {{45602, 59206, 1}, {"", ""}}, {1304.9498, 14.676501, "Meta"} -> 
    {{187668, 106306, 108712}, {"", ""}}, {1288.9882, 14.677895, "Meta"} -> 
    {{423712, 429668, 477647}, {"", ""}}, {314.2456, 14.663063, "Meta"} -> 
    {{172050, 96991, 123926}, {"Octadecanedioic acid [ C18 H34 O4, db=84.30, \
overall=42.15, HMP ID=HMDB00782, KEGG ID= ]", ""}}, 
   {1887.3066, 14.691118, "Meta"} -> {{1, 64719, 1}, {"", ""}}, 
   {718.5628, 14.687387, "Meta"} -> {{347392, 362617, 313532}, {"", ""}}, 
   {623.4396, 14.6919565, "Meta"} -> {{58284, 56889, 67341}, {"", ""}}, 
   {645.6059, 14.685749, "Meta"} -> {{71561, 69021, 70502}, {"", ""}}, 
   {628.3971, 14.698038, "Meta"} -> {{1, 37590, 52033}, {"", ""}}, 
   {1843.2805, 14.697259, "Meta"} -> {{42958, 60974, 1}, {"", ""}}, 
   {648.5186, 14.694042, "Meta"} -> {{146212, 141204, 137468}, {"", ""}}, 
   {408.3972, 14.705543, "Meta"} -> {{80636, 30015, 34033}, 
     {"2,4-dimethyl-2-pentacosenoic acid [ C27 H52 O2, db=74.43, \
overall=37.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {1226.7506, 14.711852, "Meta"} -> {{134163, 224499, 268761}, 
     {"Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=97.82, \
overall=48.91, HMP ID=HMDB04902, KEGG ID= ]", ""}}, 
   {645.4183, 14.717676, "Meta"} -> {{174032, 160370, 142029}, {"", ""}}, 
   {698.468, 14.730161, "Meta"} -> {{49774, 67593, 114404}, {"", ""}}, 
   {758.5008, 14.730802, "Meta"} -> {{58600, 52665, 81169}, {"", ""}}, 
   {337.2991, 14.743073, "Meta"} -> {{213158, 312548, 149799}, {"", ""}}, 
   {567.4826, 14.741691, "Meta"} -> {{111349, 90040, 113303}, {"", ""}}, 
   {335.2823, 14.734916, "Meta"} -> {{230477, 382199, 301759}, {"", ""}}, 
   {224.1774, 14.743076, "Meta"} -> {{60906, 25786, 25678}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=58.15, overall=29.08, \
Lipid ID=, KEGG ID= ]", ""}}, {311.2823, 14.741, "Meta"} -> 
    {{189307, 306541, 456835}, {"", ""}}, {410.3415, 14.759458, "Meta"} -> 
    {{609192, 488266, 18082}, {"", ""}}, {578.4528, 14.761768, "Meta"} -> 
    {{93632, 70297, 74987}, {"", ""}}, {821.8807, 14.768291, "Meta"} -> 
    {{37243, 52936, 34175}, {"", ""}}, {454.306, 14.7669325, "Meta"} -> 
    {{326984, 223766, 182600}, {"26,26,26-trifluoro-25-hydroxyvitamin D3 / \
26,26,26-trifluoro-25-hydroxycholecalciferol [ C27 H41 F3 O2, db=96.49, \
overall=48.25, Lipid ID=LMST03020131, KEGG ID= ]", ""}}, 
   {754.4952, 14.762309, "Meta"} -> {{23089, 33671, 38147}, {"", ""}}, 
   {544.4848, 14.776436, "Meta"} -> {{70171, 57581, 62132}, {"", ""}}, 
   {1023.6713, 14.774457, "Meta"} -> {{115895, 133414, 136052}, 
     {"Trihexosylceramide (d18:1/16:0) [ C52 H97 N O18, db=90.02, \
overall=45.01, HMP ID=HMDB04879, KEGG ID= ]", ""}}, 
   {278.1698, 14.775679, "Meta"} -> {{30552, 64050, 74529}, {"", ""}}, 
   {647.6214, 14.772876, "Meta"} -> {{70531, 71524, 66548}, 
     {"Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, db=98.12, overall=49.06, \
HMP ID=HMDB04953, KEGG ID= ]", ""}}, {434.3759, 14.783721, "Meta"} -> 
    {{131688, 132485, 146016}, {"6-deoxoteasterone [ C28 H50 O3, db=63.15, \
overall=31.57, Lipid ID=LMST01030120, KEGG ID= ]", ""}}, 
   {724.4845, 14.780425, "Meta"} -> {{30761, 25533, 21226}, {"", ""}}, 
   {406.3782, 14.821377, "Meta"} -> {{39328, 10452, 30421}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=55.72, \
overall=27.86, Lipid ID=, KEGG ID= ]", ""}}, {704.5472, 14.802679, "Meta"} -> 
    {{67532, 71642, 78393}, {"", ""}}, {1249.0677, 14.813335, "Meta"} -> 
    {{35836, 44880, 27077}, {"", ""}}, {843.4971, 14.847156, "Meta"} -> 
    {{110272, 110779, 112210}, {"", ""}}, {2045.5883, 14.842042, "Meta"} -> 
    {{120242, 24580, 24014}, {"", ""}}, {2720.1182, 14.840377, "Meta"} -> 
    {{205900, 116902, 122544}, {"", ""}}, {2061.5564, 14.8452215, "Meta"} -> 
    {{234369, 241496, 212009}, {"", ""}}, {1239.9836, 14.848166, "Meta"} -> 
    {{78939, 97512, 83692}, {"", ""}}, {1387.0208, 14.848454, "Meta"} -> 
    {{540288, 553864, 532377}, {"", ""}}, {565.4473, 14.858251, "Meta"} -> 
    {{381576, 467991, 454632}, {"", ""}}, {1226.951, 14.852665, "Meta"} -> 
    {{41401, 26989, 61487}, {"", ""}}, {1419.0518, 14.88988, "Meta"} -> 
    {{18677, 25398, 25348}, {"", ""}}, {455.3974, 14.8894205, "Meta"} -> 
    {{106691, 215749, 47282}, {"", ""}}, {483.4287, 14.892069, "Meta"} -> 
    {{177478, 239094, 61901}, {"", ""}}, {1375.0894, 14.895823, "Meta"} -> 
    {{1065284, 1148642, 1147708}, {"", ""}}, {469.413, 14.892142, "Meta"} -> 
    {{847921, 1143308, 298219}, {"", ""}}, {280.2035, 14.893897, "Meta"} -> 
    {{130755, 306128, 61071}, 
     {"12S-HHTrE [ C17 H28 O3, db=88.18, overall=44.09, KEGG ID=, CAS ID= ]", 
      ""}}, {2113.588, 14.897228, "Meta"} -> {{99583, 104215, 134390}, 
     {"", ""}}, {1292.0153, 14.903293, "Meta"} -> {{224595, 285726, 284467}, 
     {"", ""}}, {2139.604, 14.913654, "Meta"} -> {{400150, 427831, 1}, 
     {"", ""}}, {1521.0576, 14.912457, "Meta"} -> {{30422, 32045, 29465}, 
     {"", ""}}, {738.4997, 14.919686, "Meta"} -> 
    {{1343677, 1375942, 1282794}, {"", ""}}, 
   {1885.4286, 14.923374, "Meta"} -> {{35042, 31480, 26672}, {"", ""}}, 
   {892.7136, 14.926122, "Meta"} -> {{316053, 552053, 132320}, {"", ""}}, 
   {406.3781, 14.850402, "Meta"} -> {{20084, 19289, 36917}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=63.39, \
overall=31.69, Lipid ID=, KEGG ID= ]", ""}}, {607.4578, 14.934502, "Meta"} -> 
    {{172390, 134077, 142462}, {"", ""}}, {1389.1053, 14.947632, "Meta"} -> 
    {{1153123, 1250361, 1326809}, {"", ""}}, 
   {1363.0868, 14.951377, "Meta"} -> {{121900, 113756, 123254}, {"", ""}}, 
   {1415.0522, 14.961962, "Meta"} -> {{198122, 223503, 203583}, {"", ""}}, 
   {857.512, 14.964919, "Meta"} -> {{86955, 76479, 76106}, {"", ""}}, 
   {1142.867, 14.976418, "Meta"} -> {{19419, 19647, 16566}, {"", ""}}, 
   {1266.9861, 14.97788, "Meta"} -> {{74606, 65164, 64757}, {"", ""}}, 
   {1154.8688, 14.982498, "Meta"} -> {{56723, 44580, 41969}, {"", ""}}, 
   {390.277, 15.002232, "Meta"} -> {{187680, 272473, 173758}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=85.91, \
overall=42.95, Lipid ID=, KEGG ID= ]", ""}}, {752.5832, 15.019201, "Meta"} -> 
    {{110239, 101341, 121381}, {"", ""}}, {484.3526, 15.004758, "Meta"} -> 
    {{40005, 111240, 78930}, {"(22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dime\
thyl-23,24-tetradehydro-20-epivitamin D3 / (22S)-1alph [ C31 H48 O4, \
db=66.11, overall=33.06, Lipid ID=LMST03020487, KEGG ID= ]", ""}}, 
   {367.3811, 15.008845, "Meta"} -> {{25702, 28030, 28624}, {"", ""}}, 
   {677.5002, 15.038733, "Meta"} -> {{290399, 269423, 317106}, 
     {"GPEtn(13:0/18:0)[U] [ C36 H72 N O8 P, db=95.91, overall=47.95, Lipid \
ID=LMGP02010240, KEGG ID= ]", ""}}, {1391.1198, 15.0320015, "Meta"} -> 
    {{232522, 257988, 262316}, {"", ""}}, {1454.0837, 15.034749, "Meta"} -> 
    {{127745, 127163, 158060}, {"", ""}}, {1380.0681, 15.047085, "Meta"} -> 
    {{192005, 187218, 199462}, {"", ""}}, {755.4903, 15.05794, "Meta"} -> 
    {{183902, 138088, 138137}, {"", ""}}, {784.5607, 15.058108, "Meta"} -> 
    {{51300, 63155, 53979}, {"", ""}}, {758.4878, 15.060915, "Meta"} -> 
    {{558074, 512150, 455048}, {"", ""}}, {818.5122, 15.060144, "Meta"} -> 
    {{181967, 241055, 126498}, {"", ""}}, {737.5, 15.062039, "Meta"} -> 
    {{123213, 104150, 118313}, {"", ""}}, {1283.0142, 15.076242, "Meta"} -> 
    {{101541, 86782, 83581}, {"", ""}}, {2171.6577, 15.092257, "Meta"} -> 
    {{76587, 107834, 82849}, {"", ""}}, {995.0105, 15.10904, "Meta"} -> 
    {{29252, 1, 18348}, {"", ""}}, {488.4462, 15.100375, "Meta"} -> 
    {{25052, 13279, 19623}, {"", ""}}, {1469.0988, 15.108223, "Meta"} -> 
    {{152405, 182699, 180055}, {"", ""}}, {1506.1136, 15.1095, "Meta"} -> 
    {{294603, 271082, 296521}, {"", ""}}, {471.3568, 15.111719, "Meta"} -> 
    {{41924, 41624, 81183}, {"", ""}}, {1322.0612, 15.118584, "Meta"} -> 
    {{37912, 39104, 40080}, {"", ""}}, {828.6716, 15.138119, "Meta"} -> 
    {{74785, 78573, 80148}, {"", ""}}, {593.4785, 15.136201, "Meta"} -> 
    {{290178, 340075, 325986}, {"", ""}}, {697.5053, 15.145536, "Meta"} -> 
    {{31526, 30380, 1}, {"1-tetrahexanoyl-2-(8-[3]-ladderane-octanyl)-sn-glyc\
erophosphoethanolamine [ C39 H72 N O7 P, db=68.26, overall=34.13, Lipid ID=, \
KEGG ID= ]", ""}}, {803.5472, 15.149806, "Meta"} -> 
    {{3709703, 3311125, 3339578}, {"", ""}}, 
   {619.4939, 15.1440735, "Meta"} -> {{71176, 76358, 72279}, 
     {"CerP(d18:0/16:0) [ C34 H70 N O6 P, db=93.09, overall=46.55, Lipid \
ID=LMSP02050003, KEGG ID= ]", ""}}, {558.4257, 15.139498, "Meta"} -> 
    {{38475, 40676, 35540}, {"", ""}}, {622.4963, 15.142163, "Meta"} -> 
    {{22900, 24948, 25820}, {"", ""}}, {820.6892, 15.14996, "Meta"} -> 
    {{19259, 22736, 18565}, {"", ""}}, {893.5938, 15.154918, "Meta"} -> 
    {{94831, 114474, 99301}, {"", ""}}, {663.5204, 15.159599, "Meta"} -> 
    {{46643, 36968, 35798}, {"", ""}}, {779.5471, 15.188432, "Meta"} -> 
    {{6.29*^7, 3.33*^7, 5.06*^7}, {"", ""}}, {851.5445, 15.182407, "Meta"} -> 
    {{47112, 45122, 38725}, {"", ""}}, {805.5616, 15.247258, "Meta"} -> 
    {{2306854, 7028184, 6440515}, {"Galabiosylceramide (d18:1/12:0) [ C42 H79 \
N O13, db=66.51, overall=33.26, HMP ID=HMDB04831, KEGG ID= ]", ""}}, 
   {1489.1093, 15.274734, "Meta"} -> {{317064, 1, 173617}, {"", ""}}, 
   {719.5459, 15.309272, "Meta"} -> {{20149, 1, 16954}, 
     {"GPEtn(20:0/14:0)[U] [ C39 H78 N O8 P, db=86.95, overall=43.48, Lipid \
ID=LMGP02010177, KEGG ID= ]", ""}}, {1571.0496, 15.31023, "Meta"} -> 
    {{59012, 1, 1}, {"", ""}}, {725.5362, 15.288499, "Meta"} -> 
    {{42507, 66809, 72126}, {"", ""}}, {873.5031, 15.313261, "Meta"} -> 
    {{57224, 55386, 44290}, {"", ""}}, {756.6148, 15.312764, "Meta"} -> 
    {{253081, 310228, 284234}, {"", ""}}, {1547.1289, 15.317959, "Meta"} -> 
    {{190956, 224476, 210285}, {"", ""}}, {1573.1439, 15.344415, "Meta"} -> 
    {{313137, 342343, 333809}, {"", ""}}, {1549.1458, 15.37693, "Meta"} -> 
    {{2185634, 2806849, 2624256}, {"", ""}}, {782.6284, 15.348928, "Meta"} -> 
    {{1, 135085, 119613}, {"", ""}}, {952.5369, 15.360694, "Meta"} -> 
    {{42852, 37415, 34276}, {"", ""}}, {1525.1418, 15.393956, "Meta"} -> 
    {{1799573, 1, 1}, {"", ""}}, {1491.1252, 15.387623, "Meta"} -> 
    {{49626, 50632, 46595}, {"", ""}}, {775.5518, 15.381926, "Meta"} -> 
    {{151354, 178119, 155687}, {"", ""}}, {875.5185, 15.418427, "Meta"} -> 
    {{38288, 31632, 34717}, {"", ""}}, {1595.19, 15.493964, "Meta"} -> 
    {{1515637, 4631217, 1574366}, {"", ""}}, {1579.1923, 15.52975, "Meta"} -> 
    {{983162, 1515149, 1092934}, {"", ""}}, {954.5526, 15.542758, "Meta"} -> 
    {{153718, 167565, 153014}, {"", ""}}, {1557.2059, 15.597347, "Meta"} -> 
    {{572455, 487834, 623610}, {"", ""}}, {909.5775, 15.618968, "Meta"} -> 
    {{161138, 144055, 125144}, {"", ""}}, {1573.2028, 15.661559, "Meta"} -> 
    {{605994, 504063, 2376270}, {"", ""}}, {1559.2216, 15.669201, "Meta"} -> 
    {{347064, 319145, 387225}, {"", ""}}, {602.5269, 15.669942, "Meta"} -> 
    {{82891, 60542, 58789}, {"1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-\
octanyl)-sn-glycerol [ C39 H70 O4, db=63.29, overall=31.64, Lipid ID=, KEGG \
ID= ]", ""}}, {843.6118, 15.722835, "Meta"} -> {{965870, 699383, 990422}, 
     {"", ""}}, {834.6468, 15.719202, "Meta"} -> {{47204, 47506, 51375}, 
     {"", ""}}, {621.6059, 15.754334, "Meta"} -> {{26370, 32170, 35850}, 
     {"Ceramide (d18:1/22:0) [ C40 H79 N O3, db=87.19, overall=43.60, HMP \
ID=HMDB04952, KEGG ID= ]", ""}}, {838.6273, 15.792639, "Meta"} -> 
    {{63198, 93245, 89697}, {"GPCho(20:0/20:4(5Z,8Z,11Z,14Z)) [ C48 H89 N O8 \
P, db=55.85, overall=27.93, Lipid ID=LMGP01011023, KEGG ID= ]", ""}}, 
   {656.5704, 15.817416, "Meta"} -> {{314354, 250083, 294606}, {"", ""}}, 
   {582.4434, 15.824362, "Meta"} -> {{38224, 41175, 47718}, 
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   {747.6132, 15.858359, "Meta"} -> {{243238, 266904, 286663}, {"", ""}}, 
   {564.3964, 15.855876, "Meta"} -> {{122272, 150210, 154683}, 
     {"Alloxanthin/ Tetradehydrozeaxanthin / (Cynthiaxanthin)/ \
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   {674.5822, 16.300085, "Meta"} -> {{379090, 165119, 117604}, 
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   {294.0586, 0.8043199, "Meta"} -> {{81575, 107918, 117165}, 
     {"2-Butanone, 4-[6-(sulfooxy)-2-naphthalenyl]- [ C14 H14 O5 S, db=75.51, \
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   {281.1835, 0.9314584, "Meta"} -> {{97086, 85081, 1}, {"", ""}}, 
   {398.103, 10.056501, "Meta"} -> {{162688, 176793, 169669}, 
     {"7-Deoxyadriamycinone [ C21 H18 O8, db=72.55, overall=36.27, KEGG ID=, \
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   {354.2764, 13.447666, "Meta"} -> {{202450, 1, 98363}, 
     {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 O4, db=81.00, \
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    {{33808, 29254, 26992}, {"3alpha-Hydroxy-1,7-dioxo-5beta-cholan-24-oic \
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   {635.9026, 13.919742, "Meta"} -> {{64043, 62075, 57849}, {"", ""}}, 
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   {380.2015, 14.26752, "Meta"} -> {{17967, 23196, 1}, 
     {"fludrocortisone [ C21 H29 F O5, db=74.03, overall=37.01, KEGG \
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    {{47742, 42286, 1}, {"", ""}}, {356.3763, 14.378928, "Meta"} -> 
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    {{114619, 82616, 1}, {"", ""}}, {368.2238, 14.477722, "Meta"} -> 
    {{54709, 43324, 40304}, {"Cinnarizine [ C26 H28 N2, db=69.13, \
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   {1917.3203, 14.597922, "Meta"} -> {{1, 103820, 88221}, {"", ""}}, 
   {647.4032, 14.609459, "Meta"} -> {{1, 266346, 189384}, {"", ""}}, 
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   {1457.1663, 15.1218405, "Meta"} -> {{1383688, 1409379, 1485305}, 
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     {"Levobunolol glucuronide [ C23 H33 N O9, db=57.86, overall=28.93, KEGG \
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    {{39617, 36640, 36361}, {"", ""}}, {356.2327, 13.884462, "Meta"} -> 
    {{20781, 26890, 23647}, {"Estradiol valerate [ C23 H32 O3, db=46.24, \
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   {406.3805, 14.560919, "Meta"} -> {{28380, 38531, 30992}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=58.66, \
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    {{126762, 122074, 115317}, {"Lysine [ C6 H14 N2 O2, db=85.61, \
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   {261.9746, 0.34792307, "Meta"} -> {{40217, 27899, 27783}, {"", ""}}, 
   {327.9996, 0.35123524, "Meta"} -> {{31210, 32231, 30307}, {"", ""}}, 
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   {589.9859, 0.36100003, "Meta"} -> {{22396, 17297, 15595}, {"", ""}}, 
   {507.9825, 0.35863888, "Meta"} -> {{20921, 19408, 19255}, 
     {"Inosine triphosphate [ C10 H15 N4 O14 P3, db=53.73, overall=26.87, HMP \
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    {{27329, 29096, 29440}, {"", ""}}, {738.0146, 0.3612308, "Meta"} -> 
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    {{26488, 22381, 24176}, {"", ""}}, {504.0638, 0.3671143, "Meta"} -> 
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    {{105169, 103171, 99648}, {"", ""}}, {354.0757, 0.36960006, "Meta"} -> 
    {{111780, 100284, 104845}, {"N-Desmethylketazolam [ C19 H15 Cl N2 O3, \
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   {764.0883, 0.36781484, "Meta"} -> {{14664, 13923, 10741}, {"", ""}}, 
   {1442.1014, 0.36745453, "Meta"} -> {{19077, 17353, 18776}, {"", ""}}, 
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   {185.9878, 0.37075, "Meta"} -> {{3090283, 3239665, 3242735}, {"", ""}}, 
   {103.9855, 0.37086117, "Meta"} -> {{1480726, 1183619, 1119735}, {"", ""}}, 
   {842.5152, 0.37236363, "Meta"} -> {{58282, 56834, 58456}, 
     {"Spiramycin 1 [ C43 H74 N2 O14, db=50.52, overall=25.26, KEGG \
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   {1274.0109, 0.37162504, "Meta"} -> {{188359, 1, 182635}, {"", ""}}, 
   {2094.0337, 0.37128574, "Meta"} -> {{86553, 85113, 85270}, {"", ""}}, 
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   {1848.0302, 0.37174284, "Meta"} -> {{313013, 297447, 306161}, {"", ""}}, 
   {678.5085, 0.37215626, "Meta"} -> {{50082, 1, 48744}, 
     {"GPCho(14:0/14:0[U]) [ C36 H73 N O8 P, db=51.87, overall=25.93, Lipid \
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    {{1054655, 1014880, 1029724}, {"", ""}}, {760.0074, 0.3722353, "Meta"} -> 
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   {359.8649, 0.41030556, "Meta"} -> {{201753, 188656, 196913}, {"", ""}}, 
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   {575.7568, 0.41006452, "Meta"} -> {{27453, 22716, 28752}, {"", ""}}, 
   {219.9025, 0.4121111, "Meta"} -> {{491323, 469362, 481572}, {"", ""}}, 
   {651.6545, 0.41184002, "Meta"} -> {{45510, 66440, 58166}, 
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    {{29023, 30956, 29260}, {"", ""}}, {295.0595, 0.42075, "Meta"} -> 
    {{185630, 233924, 197045}, {"5-Aminoimidazole ribonucleotide [ C8 H14 N3 \
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   {361.0891, 0.4204722, "Meta"} -> {{418179, 523834, 453802}, 
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   {536.1894, 0.42578793, "Meta"} -> {{95792, 174696, 110236}, {"", ""}}, 
   {342.008, 0.44034287, "Meta"} -> {{55660, 50062, 59821}, {"", ""}}, 
   {279.085, 0.43405554, "Meta"} -> {{1925094, 3111234, 2115160}, {"", ""}}, 
   {284.0491, 0.4420606, "Meta"} -> {{67122, 61577, 62598}, {"", ""}}, 
   {103.0999, 0.44377777, "Meta"} -> {{326556, 492299, 373467}, {"", ""}}, 
   {481.9704, 0.44212005, "Meta"} -> {{9085, 1, 9034}, {"", ""}}, 
   {183.0875, 0.44372222, "Meta"} -> {{364823, 289648, 328157}, {"", ""}}, 
   {224.0281, 0.4447647, "Meta"} -> {{191225, 156853, 166706}, 
     {"Cys Cys [ C6 H12 N2 O3 S2, db=64.23, overall=32.11 ]", ""}}, 
   {457.0211, 0.45377782, "Meta"} -> {{20904, 22485, 16621}, {"", ""}}, 
   {135.0411, 0.4499394, "Meta"} -> {{1, 693254, 646394}, {"", ""}}, 
   {262.078, 0.45158333, "Meta"} -> {{346312, 298750, 322138}, 
     {"Asp Glu [ C9 H14 N2 O7, db=81.80, overall=40.90 ]", ""}}, 
   {202.0446, 0.45386112, "Meta"} -> {{7491229, 6627362, 6952241}, {"", ""}}, 
   {159.0275, 0.45163885, "Meta"} -> {{97788, 82730, 82655}, {"", ""}}, 
   {220.1785, 0.4556666, "Meta"} -> {{159157, 164252, 157065}, {"", ""}}, 
   {404.092, 0.45348275, "Meta"} -> {{51012, 43884, 48386}, {"", ""}}, 
   {315.1044, 0.4536389, "Meta"} -> {{246062, 194639, 223346}, {"", ""}}, 
   {320.036, 0.4549231, "Meta"} -> {{27546, 22676, 1}, {"", ""}}, 
   {382.1086, 0.45669445, "Meta"} -> {{2760429, 2337884, 2509055}, {"", ""}}, 
   {396.1638, 0.4501666, "Meta"} -> {{20873, 37222, 23597}, 
     {"Asn Tyr Thr [ C17 H24 N4 O7, db=83.05, overall=41.53 ]", ""}}, 
   {113.059, 0.45647225, "Meta"} -> {{1218718, 254900, 514865}, 
     {"Creatinine [ C4 H7 N3 O, db=69.36, overall=34.68, KEGG ID=C00791, CAS \
ID=60-27-5 ]", "60-27-5"}}, {339.0908, 0.4577187, "Meta"} -> 
    {{22345, 1, 20048}, 
     {"Cys Ser Met [ C11 H21 N3 O5 S2, db=57.09, overall=28.54 ]", ""}}, 
   {337.0433, 0.45780003, "Meta"} -> {{268033, 415891, 292445}, 
     {"Famotidine [ C8 H15 N7 O2 S3, db=57.43, overall=28.71, KEGG ID=C06994, \
CAS ID=76824-35-6 ]", "76824-35-6"}}, {114.0292, 0.45835483, "Meta"} -> 
    {{151882, 158768, 1}, {"", ""}}, {174.1111, 0.46506065, "Meta"} -> 
    {{90181, 87126, 74753}, {"Arginine [ C6 H14 N4 O2, db=51.57, \
overall=25.79, KEGG ID=C00062, CAS ID=74-79-3 ]", "74-79-3"}}, 
   {131.0692, 0.46048486, "Meta"} -> {{444500, 305791, 336152}, 
     {"Creatine [ C4 H9 N3 O2, db=99.16, overall=49.58, KEGG ID=C00300, CAS \
ID=6020-87-7 ]", "6020-87-7"}}, {317.9624, 0.46102777, "Meta"} -> 
    {{212251, 186147, 191112}, {"", ""}}, {260.0039, 0.4610556, "Meta"} -> 
    {{574636, 543339, 548742}, {"", ""}}, {139.0609, 0.45847225, "Meta"} -> 
    {{1214463, 1058359, 1089475}, {"", ""}}, 
   {375.9207, 0.46166673, "Meta"} -> {{133735, 115024, 143259}, {"", ""}}, 
   {498.0259, 0.46341926, "Meta"} -> {{39365, 1, 39870}, {"", ""}}, 
   {161.1053, 0.46408334, "Meta"} -> {{1771819, 1537144, 1557976}, {"", ""}}, 
   {366.1134, 0.4641667, "Meta"} -> {{65125, 55320, 57834}, {"", ""}}, 
   {440.0675, 0.46469444, "Meta"} -> {{144546, 137284, 141826}, {"", ""}}, 
   {175.0959, 0.4649032, "Meta"} -> {{1, 37665, 21440}, 
     {"Citrulline [ C6 H13 N3 O3, db=47.39, overall=23.69, KEGG ID=C00327, \
CAS ID=372-75-8 ]", "372-75-8"}}, {115.0636, 0.4639722, "Meta"} -> 
    {{1306808, 1167265, 1224701}, {"Proline [ C5 H9 N O2, db=87.30, \
overall=43.65, KEGG ID=C00148, CAS ID=147-85-3 ]", "147-85-3"}}, 
   {256.1436, 0.4642592, "Meta"} -> {{196556, 193414, 174407}, {"", ""}}, 
   {399.0646, 0.4658, "Meta"} -> {{40384, 33383, 35595}, {"", ""}}, 
   {192.1473, 0.46303123, "Meta"} -> {{67082, 61627, 61749}, {"", ""}}, 
   {341.1066, 0.46715382, "Meta"} -> {{1, 32755, 36388}, 
     {"Tyr Cys Gly [ C14 H19 N3 O5 S, db=77.47, overall=38.73 ]", ""}}, 
   {248.1483, 0.46862853, "Meta"} -> {{74050, 57163, 63056}, {"", ""}}, 
   {159.1256, 0.47108328, "Meta"} -> {{272735, 246945, 245522}, 
     {"DL-2-Aminooctanoic acid [ C8 H17 N O2, db=86.92, overall=43.46, HMP \
ID=HMDB00991, KEGG ID= ]", ""}}, {60.0325, 0.47265622, "Meta"} -> 
    {{412749, 481818, 401988}, {"Urea [ C H4 N2 O, db=87.80, overall=43.90, \
KEGG ID=C00086, CAS ID=57-13-6 ]", "57-13-6"}}, 
   {297.1425, 0.47046667, "Meta"} -> {{1, 1, 225552}, 
     {"Ala His Ala [ C12 H19 N5 O4, db=91.10, overall=45.55 ]", ""}}, 
   {117.0784, 0.47286117, "Meta"} -> {{6075355, 5293280, 5263469}, 
     {"5-Aminopentanoic acid [ C5 H11 N O2, db=96.95, overall=48.48, HMP \
ID=HMDB03355, KEGG ID= ]", ""}}, {222.0852, 0.47502783, "Meta"} -> 
    {{72002, 67455, 67378}, {"", ""}}, {302.184, 0.47386664, "Meta"} -> 
    {{31839, 24534, 26588}, {"", ""}}, {240.0955, 0.47499996, "Meta"} -> 
    {{62147, 62577, 62141}, {"", ""}}, {143.0945, 0.4738333, "Meta"} -> 
    {{1343287, 1462439, 1299935}, {"Triparanol [ C7 H13 N O2, db=69.83, \
overall=34.92, HMP ID=HMDB01378, KEGG ID= ]", ""}}, 
   {228.1473, 0.47896966, "Meta"} -> {{1, 1, 210403}, 
     {"Leu Pro [ C11 H20 N2 O3, db=61.48, overall=30.74 ]", ""}}, 
   {257.1031, 0.48044443, "Meta"} -> {{1167843, 2035869, 1281976}, 
     {"5-Methylcytidine [ C10 H15 N3 O5, db=85.28, overall=42.64, HMP \
ID=HMDB00982, KEGG ID=, CAS ID=2140-61-6 ]", "2140-61-6"}}, 
   {71.074, 0.48255876, "Meta"} -> {{878639, 762444, 774128}, {"", ""}}, 
   {157.1101, 0.4915172, "Meta"} -> {{35075, 31427, 1}, 
     {"Tranexamic acid [ C8 H15 N O2, db=82.75, overall=41.37, KEGG \
ID=C12535, CAS ID=1197-18-8 ]", "1197-18-8"}}, 
   {144.042, 0.48648572, "Meta"} -> {{83650, 107946, 104749}, 
     {"(E)-2-Methylglutaconic acid [ C6 H8 O4, db=81.83, overall=40.91, HMP \
ID=HMDB02266, KEGG ID= ]", ""}}, {240.1471, 0.48564285, "Meta"} -> 
    {{18685, 1, 26543}, {"", ""}}, {162.0524, 0.48472, "Meta"} -> 
    {{133646, 1, 128748}, {"2-Hydroxyadipic acid [ C6 H10 O5, db=74.88, \
overall=37.44, HMP ID=HMDB00321, KEGG ID= ]", ""}}, 
   {307.0891, 0.4947, "Meta"} -> {{23670, 18155, 18870}, 
     {"Succinyllipoic acid [ C12 H21 N O4 S2, db=34.62, overall=17.31, HMP \
ID=HMDB01012, KEGG ID= ]", ""}}, {247.9688, 0.49561107, "Meta"} -> 
    {{192138, 81669, 143079}, {"", ""}}, {198.0384, 0.50133336, "Meta"} -> 
    {{142158, 159775, 147057}, {"", ""}}, {168.0283, 0.50608325, "Meta"} -> 
    {{1941207, 1883283, 1776642}, {"Uric acid [ C5 H4 N4 O3, db=97.37, \
overall=48.69, KEGG ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, 
   {191.0248, 0.5051143, "Meta"} -> {{222891, 157942, 72150}, {"", ""}}, 
   {348.0916, 0.5082572, "Meta"} -> {{103481, 97833, 99652}, {"", ""}}, 
   {280.0422, 0.50655884, "Meta"} -> {{38337, 1, 42303}, {"", ""}}, 
   {133.9952, 0.5028, "Meta"} -> {{296440, 256513, 1}, {"", ""}}, 
   {129.0423, 0.50794446, "Meta"} -> {{468835, 435065, 421688}, 
     {"Pyroglutamic acid [ C5 H7 N O3, db=86.82, overall=43.41, KEGG \
ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, {309.1056, 0.5132, "Meta"} -> 
    {{1, 24927, 29739}, {"N-Acetyl-a-neuraminic acid [ C11 H19 N O9, \
db=51.18, overall=25.59, HMP ID=HMDB00773, KEGG ID= ]", ""}}, 
   {548.0497, 0.5119356, "Meta"} -> {{34521, 33527, 23860}, {"", ""}}, 
   {112.0135, 0.51612, "Meta"} -> {{1, 1, 1095308}, {"", ""}}, 
   {396.0151, 0.5267038, "Meta"} -> {{1, 1, 43866}, {"", ""}}, 
   {393.0659, 0.53931427, "Meta"} -> {{105008, 55535, 60756}, 
     {"5-Hydroxythiabendazole glucuronide [ C16 H15 N3 O7 S, db=55.85, \
overall=27.93, KEGG ID=, CAS ID=6801-82-7 ]", "6801-82-7"}}, 
   {185.1047, 0.54106057, "Meta"} -> {{75506, 62575, 71910}, 
     {"Ecgonine [ C9 H15 N O3, db=82.32, overall=41.16, KEGG ID=, CAS \
ID=481-37-8 ]", "481-37-8"}}, {159.068, 0.54042304, "Meta"} -> 
    {{50864, 1, 1}, {"Indoleacetaldehyde [ C10 H9 N O, db=55.69, \
overall=27.85, HMP ID=HMDB01190, KEGG ID= ]", ""}}, 
   {132.0244, 0.54202855, "Meta"} -> {{133019, 123961, 125652}, {"", ""}}, 
   {149.0507, 0.54125, "Meta"} -> {{1333866, 1244977, 1264315}, 
     {"Methionine [ C5 H11 N O2 S, db=99.04, overall=49.52, KEGG ID=C00073, \
CAS ID=63-68-3 ]", "63-68-3"}}, {279.1315, 0.54772216, "Meta"} -> 
    {{146262, 123735, 123699}, {"", ""}}, {164.047, 0.5517223, "Meta"} -> 
    {{269145, 250225, 249682}, {"p-Coumaric acid [ C9 H8 O3, db=86.35, \
overall=43.17, KEGG ID=, CAS ID=7400-08-0 ]", "7400-08-0"}}, 
   {181.0737, 0.5518889, "Meta"} -> {{4441890, 2753472, 2776320}, 
     {"Tyrosine [ C9 H11 N O3, db=99.43, overall=49.71, KEGG ID=C00082, CAS \
ID=60-18-4 ]", "60-18-4"}}, {122.0354, 0.55100006, "Meta"} -> 
    {{220206, 297294, 298085}, {"", ""}}, {321.1047, 0.5580909, "Meta"} -> 
    {{24226, 1, 110828}, {"", ""}}, {311.1578, 0.55884373, "Meta"} -> 
    {{377503, 318573, 91167}, 
     {"Gly Val His [ C13 H21 N5 O4, db=80.96, overall=40.48 ]", ""}}, 
   {131.0946, 0.5592222, "Meta"} -> {{2.74*^7, 2.43*^7, 2.51*^7}, 
     {"Leucine [ C6 H13 N O2, db=99.82, overall=49.91, KEGG ID=C00123, CAS \
ID=61-90-5 ]", "61-90-5"}}, {85.0889, 0.5585, "Meta"} -> 
    {{3465991, 2975576, 3118453}, {"", ""}}, 
   {175.0582, 0.55870366, "Meta"} -> {{1, 178587, 191416}, 
     {"Guanidinosuccinic Acid [ C5 H9 N3 O4, db=74.59, overall=37.29, KEGG \
ID=C03139, CAS ID=6133-30-8 ]", "6133-30-8"}}, 
   {230.0767, 0.58708334, "Meta"} -> {{1, 1, 50719}, {"", ""}}, 
   {124.0136, 0.573853, "Meta"} -> {{149618, 115207, 122409}, {"", ""}}, 
   {262.1892, 0.5915186, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {315.1291, 0.6577931, "Meta"} -> {{1, 29231, 29202}, {"", ""}}, 
   {181.0738, 0.63259375, "Meta"} -> {{1, 1377051, 1437240}, 
     {"Tyrosine [ C9 H11 N O3, db=99.69, overall=49.85, KEGG ID=C00082, CAS \
ID=60-18-4 ]", "60-18-4"}}, {321.1046, 0.64432, "Meta"} -> 
    {{58925, 1, 32619}, {"", ""}}, {262.1526, 0.64625, "Meta"} -> 
    {{26919, 18620, 23966}, {"", ""}}, {85.0891, 0.65061104, "Meta"} -> 
    {{3062991, 2840658, 2891180}, {"", ""}}, 
   {131.0943, 0.65075004, "Meta"} -> {{2.46*^7, 2.24*^7, 2.3*^7}, 
     {"Leucine [ C6 H13 N O2, db=98.20, overall=49.10, KEGG ID=C00123, CAS \
ID=61-90-5 ]", "61-90-5"}}, {184.0232, 0.6469033, "Meta"} -> 
    {{478474, 608758, 563942}, {"", ""}}, {396.0152, 0.65655553, "Meta"} -> 
    {{59600, 59333, 67271}, {"", ""}}, {198.0385, 0.6591563, "Meta"} -> 
    {{74134, 74981, 92853}, {"", ""}}, {366.1426, 0.73793095, "Meta"} -> 
    {{1, 1, 28575}, {"", ""}}, {564.0432, 0.6553846, "Meta"} -> 
    {{20172, 18984, 24182}, {"", ""}}, {168.0284, 0.66358334, "Meta"} -> 
    {{3540461, 2881771, 3340328}, {"Uric acid [ C5 H4 N4 O3, db=99.35, \
overall=49.68, KEGG ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, 
   {352.0513, 0.6635001, "Meta"} -> {{121172, 122679, 123737}, {"", ""}}, 
   {191.0249, 0.6656572, "Meta"} -> {{574197, 307998, 278714}, {"", ""}}, 
   {176.0948, 0.66323525, "Meta"} -> {{58582, 92292, 27768}, 
     {"Serotonin [ C10 H12 N2 O, db=81.86, overall=40.93, KEGG ID=C00780, CAS \
ID=50-67-9 ]", "50-67-9"}}, {343.1261, 0.6673332, "Meta"} -> 
    {{47801, 1, 37186}, {"b-D-Glucopyranosiduronic acid [ C15 H21 N O8, \
db=84.47, overall=42.23, KEGG ID=, CAS ID=33150-82-2 ]", "33150-82-2"}}, 
   {159.0679, 0.6692903, "Meta"} -> {{80759, 63198, 1}, 
     {"Indoleacetaldehyde [ C10 H9 N O, db=58.61, overall=29.30, HMP \
ID=HMDB01190, KEGG ID= ]", ""}}, {542.0351, 0.6685769, "Meta"} -> 
    {{30265, 28697, 22834}, {"cefonicid [ C18 H18 N6 O8 S3, db=52.28, \
overall=26.14, KEGG ID=, CAS ID= ]", ""}}, {267.1331, 0.6696945, "Meta"} -> 
    {{72829, 62751, 69934}, {"", ""}}, {346.076, 0.6595, "Meta"} -> 
    {{29519, 30087, 28752}, {"", ""}}, {366.0667, 0.6683939, "Meta"} -> 
    {{26928, 31454, 33962}, {"", ""}}, {348.0913, 0.6686563, "Meta"} -> 
    {{1, 52879, 79154}, {"", ""}}, {478.0537, 0.6733429, "Meta"} -> 
    {{34744, 27356, 13837}, {"", ""}}, {129.0423, 0.67652774, "Meta"} -> 
    {{466526, 429724, 447172}, {"Pyroglutamic acid [ C5 H7 N O3, db=60.99, \
overall=30.50, KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {297.0706, 0.67399997, "Meta"} -> {{22385, 19502, 25630}, {"", ""}}, 
   {414.0701, 0.68071425, "Meta"} -> {{1, 17039, 16569}, {"", ""}}, 
   {104.0473, 0.7109601, "Meta"} -> {{151030, 102943, 1330597}, 
     {"a-hydroxybutyrate [ C4 H8 O3, db=87.83, overall=43.92, KEGG ID=, CAS \
ID= ]", ""}}, {293.1474, 0.70211107, "Meta"} -> {{1055215, 746183, 841572}, 
     {"", ""}}, {124.0136, 0.698871, "Meta"} -> {{130253, 130885, 149493}, 
     {"", ""}}, {244.0693, 0.69808567, "Meta"} -> {{125008, 100740, 111011}, 
     {"Uridine [ C9 H12 N2 O6, db=80.06, overall=40.03, KEGG ID=C00299, CAS \
ID=58-96-8 ]", "58-96-8"}}, {228.1472, 0.70621204, "Meta"} -> 
    {{1, 269921, 218055}, 
     {"Leu Pro [ C11 H20 N2 O3, db=86.33, overall=43.17 ]", ""}}, 
   {246.1213, 0.72223526, "Meta"} -> {{61781, 51041, 53458}, 
     {"Ile Asp [ C10 H18 N2 O5, db=79.46, overall=39.73 ]", ""}}, 
   {126.0292, 0.7198077, "Meta"} -> {{1423798, 1296863, 1}, {"", ""}}, 
   {347.9839, 0.72131026, "Meta"} -> {{60606, 65607, 39357}, {"", ""}}, 
   {252.1109, 0.7333571, "Meta"} -> {{1, 174953, 183672}, 
     {"Tyr Ala [ C12 H16 N2 O4, db=96.68, overall=48.34 ]", ""}}, 
   {338.0838, 0.75042427, "Meta"} -> {{122116, 101293, 101294}, {"", ""}}, 
   {148.0112, 0.75524235, "Meta"} -> {{159738, 149140, 147104}, {"", ""}}, 
   {136.0384, 0.7559166, "Meta"} -> {{2823380, 2300823, 2400031}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=95.18, overall=47.59, KEGG ID=C00262, \
CAS ID=68-94-0 ]", "68-94-0"}}, {277.0016, 0.76956004, "Meta"} -> 
    {{1, 111894, 101926}, {"", ""}}, {161.0507, 0.7749999, "Meta"} -> 
    {{367420, 238876, 212776}, {"", ""}}, {301.1176, 0.832861, "Meta"} -> 
    {{57677, 42139, 46487}, {"", ""}}, {263.0468, 0.8569698, "Meta"} -> 
    {{40954, 44553, 47981}, {"Normetanephrine sulfate [ C9 H13 N O6 S, \
db=62.13, overall=31.07, KEGG ID=, CAS ID=1215-29-8 ]", "1215-29-8"}}, 
   {427.2543, 0.88016677, "Meta"} -> {{46466, 64220, 81226}, {"", ""}}, 
   {533.1839, 0.8766785, "Meta"} -> {{36684, 32583, 46650}, {"", ""}}, 
   {208.0844, 0.8729697, "Meta"} -> {{931537, 799257, 781599}, 
     {"Kynurenine [ C10 H12 N2 O3, db=98.79, overall=49.40, KEGG ID=C00328, \
CAS ID=343-65-7 ]", "343-65-7"}}, {310.1159, 0.87493944, "Meta"} -> 
    {{77291, 35716, 71082}, 
     {"Tyr Glu [ C14 H18 N2 O6, db=80.16, overall=40.08 ]", ""}}, 
   {130.0417, 0.889875, "Meta"} -> {{368527, 1, 349327}, {"", ""}}, 
   {119.0736, 0.8910293, "Meta"} -> {{8132587, 7047376, 7391225}, {"", ""}}, 
   {165.0784, 0.88927776, "Meta"} -> {{4.41*^7, 3.87*^7, 4.15*^7}, 
     {"2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, db=96.07, \
overall=48.03, KEGG ID=, CAS ID=18259-42-2 ]", "18259-42-2"}}, 
   {102.047, 0.8869601, "Meta"} -> {{1, 27940, 35421}, {"", ""}}, 
   {268.0808, 0.88524127, "Meta"} -> {{112475, 58985, 92420}, 
     {"Inosine [ C10 H12 N4 O5, db=85.71, overall=42.86, KEGG ID=C00294, CAS \
ID=58-63-9 ]", "58-63-9"}}, {518.1942, 0.9226364, "Meta"} -> 
    {{30084, 21130, 24199}, {"Gossypol [ C30 H30 O8, db=74.85, overall=37.42, \
Lipid ID=LMPR01030019, KEGG ID=C07667 ]", ""}}, 
   {359.1316, 0.92291445, "Meta"} -> {{43447, 32193, 41276}, 
     {"Asp Glu Pro [ C14 H21 N3 O8, db=49.24, overall=24.62 ]", ""}}, 
   {358.1738, 0.921639, "Meta"} -> {{61929, 40849, 54130}, {"", ""}}, 
   {315.1679, 0.92541665, "Meta"} -> {{4282527, 3094630, 3619228}, {"", ""}}, 
   {246.1213, 0.9403793, "Meta"} -> {{1, 38649, 42701}, 
     {"Ile Asp [ C10 H18 N2 O5, db=75.39, overall=37.69 ]", ""}}, 
   {348.1567, 0.99688005, "Meta"} -> {{202132, 146539, 159819}, 
     {"Ala Arg Cys [ C12 H24 N6 O4 S, db=90.69, overall=45.35 ]", ""}}, 
   {150.0887, 1.0149167, "Meta"} -> {{9730686, 7503904, 8292288}, {"", ""}}, 
   {380.1186, 1.0151613, "Meta"} -> {{210933, 145062, 146939}, 
     {"Cys Gln Met [ C13 H24 N4 O5 S2, db=70.63, overall=35.32 ]", ""}}, 
   {88.0527, 1.0138214, "Meta"} -> {{1013559, 1, 913374}, 
     {"Acetoin [ C4 H8 O2, db=98.92, overall=49.46, KEGG ID=C00810, CAS \
ID=513-86-0 ]", "513-86-0"}}, {132.0785, 1.0133704, "Meta"} -> 
    {{1, 1, 329646}, {"2-Hydroxy-4-methylvaleric acid [ C6 H12 O3, db=96.66, \
overall=48.33, KEGG ID=, CAS ID=13748-90-8 ]", "13748-90-8"}}, 
   {248.0572, 1.018941, "Meta"} -> {{1043258, 920902, 1015690}, 
     {"Pyridoxamine Phosphate [ C8 H13 N2 O5 P, db=92.97, overall=46.48, KEGG \
ID=C00647, CAS ID=529-96-4 ]", "529-96-4"}}, {264.0292, 1.0199355, "Meta"} -> 
    {{282405, 246288, 207446}, {"(3-Methoxy-4-hydroxyphenyl)ethylene glycol \
sulfate [ C9 H12 O7 S, db=58.12, overall=29.06, KEGG ID=, CAS ID=3415-67-6 ]"\
, "3415-67-6"}}, {239.9853, 1.04124, "Meta"} -> {{1, 55026, 1}, {"", ""}}, 
   {210.1212, 1.0249231, "Meta"} -> {{333436, 268623, 302089}, {"", ""}}, 
   {338.1254, 1.0379394, "Meta"} -> {{627645, 445223, 568058}, {"", ""}}, 
   {353.0898, 1.0451715, "Meta"} -> {{317476, 181312, 173984}, 
     {"Acenocoumarol [ C19 H15 N O6, db=85.70, overall=42.85, KEGG ID=, CAS \
ID=152-72-7 ]", "152-72-7"}}, {327.1318, 1.0948066, "Meta"} -> 
    {{303410, 196478, 213175}, {"", ""}}, {231.1472, 1.1548711, "Meta"} -> 
    {{88772, 1, 51861}, {"Isobutyryl carnitine [ C11 H21 N O4, db=82.39, \
overall=41.19, KEGG ID=, CAS ID=25518-49-4 ]", "25518-49-4"}}, 
   {354.1791, 1.2549354, "Meta"} -> {{583841, 402056, 439599}, {"", ""}}, 
   {291.0178, 1.2728126, "Meta"} -> {{34717, 22907, 1}, {"", ""}}, 
   {276.0544, 1.2674193, "Meta"} -> {{1, 55033, 29558}, {"", ""}}, 
   {216.0308, 1.2762144, "Meta"} -> {{54827, 1, 1}, {"", ""}}, 
   {117.0578, 1.2811853, "Meta"} -> {{255372, 120562, 1}, 
     {"Indole [ C8 H7 N, db=70.72, overall=35.36, KEGG ID=C00463, CAS \
ID=120-72-9 ]", "120-72-9"}}, {204.0894, 1.2753054, "Meta"} -> 
    {{6.7*^7, 5.82*^7, 5.69*^7}, {"Tryptophan [ C11 H12 N2 O2, db=95.92, \
overall=47.96, KEGG ID=C00078, CAS ID=73-22-3 ]", "73-22-3"}}, 
   {187.0628, 1.2740554, "Meta"} -> {{1.63*^7, 1.4*^7, 1.43*^7}, 
     {"Indoleacrylic acid [ C11 H9 N O2, db=97.72, overall=48.86, HMP \
ID=HMDB00734, KEGG ID=, CAS ID=1204-06-4 ]", "1204-06-4"}}, 
   {650.2158, 1.2843436, "Meta"} -> {{49015, 62562, 56397}, {"", ""}}, 
   {302.0588, 1.2867241, "Meta"} -> {{145785, 127175, 1}, {"", ""}}, 
   {276.0543, 1.4092578, "Meta"} -> {{34167, 1, 10649}, {"", ""}}, 
   {291.0175, 1.4124061, "Meta"} -> {{44968, 41917, 1}, {"", ""}}, 
   {230.1631, 1.4211999, "Meta"} -> {{82991, 65915, 1}, 
     {"Leu Val [ C11 H22 N2 O3, db=83.67, overall=41.83 ]", ""}}, 
   {280.1058, 1.5567034, "Meta"} -> {{46063, 40823, 1}, 
     {"Phe Asp [ C13 H16 N2 O5, db=70.05, overall=35.02 ]", ""}}, 
   {366.1426, 1.5676208, "Meta"} -> {{352753, 231125, 195299}, {"", ""}}, 
   {157.11, 1.5776898, "Meta"} -> {{80687, 74635, 63689}, 
     {"Tranexamic acid [ C8 H15 N O2, db=74.57, overall=37.29, KEGG \
ID=C12535, CAS ID=1197-18-8 ]", "1197-18-8"}}, 
   {219.1104, 1.6220001, "Meta"} -> {{1, 57364, 46226}, 
     {"Pantothenic Acid [ C9 H17 N O5, db=55.18, overall=27.59, KEGG ID=, CAS \
ID=137-08-6 ]", "137-08-6"}}, {260.1369, 1.7801199, "Meta"} -> 
    {{152776, 1, 133223}, 
     {"Glu Leu [ C11 H20 N2 O5, db=77.86, overall=38.93 ]", ""}}, 
   {208.0161, 1.9748787, "Meta"} -> {{161692, 201650, 871212}, {"", ""}}, 
   {260.1368, 1.9889677, "Meta"} -> {{1, 128659, 113853}, 
     {"Glu Leu [ C11 H20 N2 O5, db=90.71, overall=45.35 ]", ""}}, 
   {131.0368, 2.0663033, "Meta"} -> {{449891, 555998, 1}, {"", ""}}, 
   {613.3187, 2.414278, "Meta"} -> {{198769, 178917, 162850}, {"", ""}}, 
   {294.1216, 2.470125, "Meta"} -> {{38680, 50268, 51039}, 
     {"Aspartame [ C14 H18 N2 O5, db=72.39, overall=36.19, HMP ID=HMDB01894, \
KEGG ID= ]", ""}}, {245.1627, 2.565185, "Meta"} -> 
    {{368614, 1, 299095}, {"2-Methylbutyroylcarnitine [ C12 H23 N O4, \
db=86.34, overall=43.17, HMP ID=HMDB00378, KEGG ID= ]", ""}}, 
   {246.1366, 2.6443236, "Meta"} -> {{357299, 289119, 305842}, {"", ""}}, 
   {159.1255, 2.8531144, "Meta"} -> {{142367, 136917, 139908}, 
     {"DL-2-Aminooctanoic acid [ C8 H17 N O2, db=83.22, overall=41.61, HMP \
ID=HMDB00991, KEGG ID= ]", ""}}, {294.2798, 2.8666072, "Meta"} -> 
    {{236367, 114494, 107405}, {"", ""}}, {129.1512, 2.8755276, "Meta"} -> 
    {{1.68*^7, 1.02*^7, 1.08*^7}, {"", ""}}, {179.0578, 2.9460568, "Meta"} -> 
    {{2091889, 1873410, 1926743}, {"5,8-Dihydroxy-3,4-dihydrocarbostyril [ C9 \
H9 N O3, db=94.87, overall=47.43, KEGG ID=, CAS ID=59430-56-7 ]", 
      "59430-56-7"}}, {457.2172, 3.21976, "Meta"} -> 
    {{47283, 37484, 39851}, 
     {"Leu Tyr Tyr [ C24 H31 N3 O6, db=60.12, overall=30.06 ]", ""}}, 
   {113.0839, 3.4427686, "Meta"} -> {{71630, 54297, 158032}, {"", ""}}, 
   {457.2171, 3.449129, "Meta"} -> {{57527, 1, 49345}, 
     {"Leu Tyr Tyr [ C24 H31 N3 O6, db=66.31, overall=33.16 ]", ""}}, 
   {353.0194, 3.4831946, "Meta"} -> {{98170, 74104, 73734}, 
     {"H 152/66 [ C16 H13 Cl2 N O4, db=34.19, overall=17.09, KEGG ID=, CAS \
ID=91854-02-3 ]", "91854-02-3"}}, {180.0646, 3.4828331, "Meta"} -> 
    {{1934604, 1671145, 1721478}, {"Paraxanthine [ C7 H8 N4 O2, db=97.04, \
overall=48.52, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {338.0584, 3.4828844, "Meta"} -> {{58449, 46939, 49464}, {"", ""}}, 
   {184.1207, 3.5528529, "Meta"} -> {{315585, 282493, 279584}, {"", ""}}, 
   {286.0929, 3.6669033, "Meta"} -> {{396623, 352516, 351044}, 
     {"5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin [ C15 H14 \
N2 O4, db=80.32, overall=40.16, KEGG ID=, CAS ID=28129-90-0 ]", 
      "28129-90-0"}}, {262.1315, 3.6955454, "Meta"} -> 
    {{68036, 56384, 1}, 
     {"Pro Phe [ C14 H18 N2 O3, db=79.05, overall=39.52 ]", ""}}, 
   {484.3516, 3.714577, "Meta"} -> {{79956, 81944, 80024}, 
     {"(22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimethyl-23,24-tetradehydro-\
20-epivitamin D3 / (22S)-1alph [ C31 H48 O4, db=68.14, overall=34.07, Lipid \
ID=LMST03020487, KEGG ID= ]", ""}}, {264.1109, 3.7114289, "Meta"} -> 
    {{1416155, 1269249, 1363191}, {"", ""}}, {300.9474, 3.7771254, "Meta"} -> 
    {{75130, 1, 44884}, {"", ""}}, {285.9843, 3.784971, "Meta"} -> 
    {{139175, 133579, 138636}, {"", ""}}, {406.0258, 3.779679, "Meta"} -> 
    {{88848, 1, 77500}, {"", ""}}, {346.0054, 3.7820883, "Meta"} -> 
    {{317224, 1, 257033}, {"", ""}}, {390.0608, 3.9207745, "Meta"} -> 
    {{40196, 32196, 29760}, {"", ""}}, {194.1056, 3.9298828, "Meta"} -> 
    {{90700, 82652, 86061}, {"3-Hydroxy-N-glycyl-2,6-xylidine \
(3-Hydroxyglycinexylidide) [ C10 H14 N2 O2, db=79.20, overall=39.60, KEGG \
ID=, CAS ID=112606-87-8 ]", "112606-87-8"}}, {123.0431, 3.9404666, "Meta"} -> 
    {{66483, 61501, 58241}, {"Pyrazinamide [ C5 H5 N3 O, db=73.22, \
overall=36.61, KEGG ID=C01956, CAS ID=98-96-4 ]", "98-96-4"}}, 
   {180.0647, 3.9408891, "Meta"} -> {{2759667, 2409556, 2501635}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=98.66, overall=49.33, KEGG ID=, CAS \
ID=611-59-6 ]", "611-59-6"}}, {353.02, 3.9439723, "Meta"} -> 
    {{51384, 42059, 36685}, {"H 152/66 [ C16 H13 Cl2 N O4, db=40.19, \
overall=20.09, KEGG ID=, CAS ID=91854-02-3 ]", "91854-02-3"}}, 
   {338.06, 3.9440384, "Meta"} -> {{23807, 23820, 1}, 
     {"1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide (AICAR) [ C9 H15 \
N4 O8 P, db=56.82, overall=28.41, KEGG ID=C04677, CAS ID=3031-94-5 ]", 
      "3031-94-5"}}, {282.0003, 4.0873055, "Meta"} -> 
    {{283058, 239876, 233445}, {"", ""}}, {244.1785, 4.1058927, "Meta"} -> 
    {{66860, 61835, 60170}, 
     {"Leu Leu [ C12 H24 N2 O3, db=80.30, overall=40.15 ]", ""}}, 
   {315.2042, 4.138722, "Meta"} -> {{297038, 408772, 344027}, {"", ""}}, 
   {180.0646, 4.184583, "Meta"} -> {{696773, 557428, 550744}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=96.10, overall=48.05, KEGG ID=, CAS \
ID=611-59-6 ]", "611-59-6"}}, {196.1205, 4.4604373, "Meta"} -> 
    {{45617, 50837, 41675}, {"", ""}}, {259.1781, 4.5265555, "Meta"} -> 
    {{31596, 1, 21124}, {"L-Glutamic acid dibutyl ester [ C13 H25 N O4, \
db=69.80, overall=34.90, KEGG ID=, CAS ID=4261-76-1 ]", "4261-76-1"}}, 
   {278.1625, 4.5463552, "Meta"} -> {{34216, 33856, 31279}, 
     {"Phe Leu [ C15 H22 N2 O3, db=77.05, overall=38.53 ]", ""}}, 
   {196.1206, 4.620389, "Meta"} -> {{90176, 60353, 67114}, {"", ""}}, 
   {145.0523, 4.6313715, "Meta"} -> {{154464, 136744, 138851}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=73.77, overall=36.88, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {221.0685, 4.632059, "Meta"} -> 
    {{48554, 26730, 37538}, {"5-Carboxymethoxy-3,4-dihydrocarbostyril [ C11 \
H11 N O4, db=64.45, overall=32.22, KEGG ID=, CAS ID=58898-50-3 ]", 
      "58898-50-3"}}, {399.1795, 4.9157567, "Meta"} -> 
    {{37027, 36680, 33303}, 
     {"Tyr Ala Phe [ C21 H25 N3 O5, db=71.49, overall=35.75 ]", ""}}, 
   {185.1049, 4.9669666, "Meta"} -> {{69484, 63036, 67042}, 
     {"Ecgonine [ C9 H15 N O3, db=77.31, overall=38.66, KEGG ID=, CAS \
ID=481-37-8 ]", "481-37-8"}}, {649.3074, 5.013072, "Meta"} -> 
    {{16708, 11841, 12710}, {"", ""}}, {278.163, 5.0759177, "Meta"} -> 
    {{170934, 169278, 168772}, 
     {"Phe Leu [ C15 H22 N2 O3, db=99.27, overall=49.64 ]", ""}}, 
   {535.2641, 5.1008615, "Meta"} -> {{45285, 46113, 43954}, {"", ""}}, 
   {904.4772, 5.3270283, "Meta"} -> {{995912, 868757, 915114}, {"", ""}}, 
   {145.0523, 5.4314723, "Meta"} -> {{148009, 165320, 173406}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=84.42, overall=42.21, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {129.0576, 5.434444, "Meta"} -> 
    {{367700, 388984, 398574}, {"", ""}}, {273.0317, 5.4347143, "Meta"} -> 
    {{36886, 28343, 27542}, {"", ""}}, {175.0629, 5.4345837, "Meta"} -> 
    {{449253, 329272, 274913}, {"3-Indoleacetic Acid [ C10 H9 N O2, db=84.76, \
overall=42.38, KEGG ID=C00954, CAS ID=87-51-4 ]", "87-51-4"}}, 
   {163.063, 5.4345, "Meta"} -> {{39492, 37979, 1}, 
     {"p-Acetaminobenzaldehyde [ C9 H9 N O2, db=64.35, overall=32.17, KEGG \
ID=, CAS ID=122-85-0 ]", "122-85-0"}}, {317.1736, 5.4687505, "Meta"} -> 
    {{45328, 37316, 37197}, 
     {"Leu Trp [ C17 H23 N3 O3, db=81.63, overall=40.81 ]", ""}}, 
   {780.393, 5.47776, "Meta"} -> {{26008, 19518, 22232}, 
     {"25-O-Desacetylrifampin [ C41 H56 N4 O11, db=84.35, overall=42.18, KEGG \
ID=, CAS ID=16783-99-6 ]", "16783-99-6"}}, {506.2009, 5.4841557, "Meta"} -> 
    {{63893, 59248, 61026}, {"", ""}}, {351.1581, 5.5261106, "Meta"} -> 
    {{363612, 298713, 296765}, 
     {"Trp Phe [ C20 H21 N3 O3, db=99.58, overall=49.79 ]", ""}}, 
   {462.2364, 5.543243, "Meta"} -> {{47184, 28487, 31524}, {"", ""}}, 
   {119.0735, 5.541345, "Meta"} -> {{200356, 177256, 183741}, {"", ""}}, 
   {312.1467, 5.5432773, "Meta"} -> {{8348053, 7375828, 7644364}, 
     {"Phe Phe [ C18 H20 N2 O3, db=95.14, overall=47.57 ]", ""}}, 
   {112.0524, 5.5669603, "Meta"} -> {{86278, 70156, 69808}, 
     {"3,5-hexadienoic acid [ C6 H8 O2, db=60.24, overall=30.12, Lipid ID=, \
KEGG ID= ]", ""}}, {415.2207, 5.670666, "Meta"} -> 
    {{17469, 1, 1}, 
     {"Phe Leu His [ C21 H29 N5 O4, db=66.52, overall=33.26 ]", ""}}, 
   {145.0523, 5.7114286, "Meta"} -> {{40271, 26200, 26503}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=58.30, overall=29.15, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {470.2164, 5.740111, "Meta"} -> 
    {{120898, 105752, 115896}, {"", ""}}, {486.1287, 5.7655144, "Meta"} -> 
    {{54741, 47693, 48729}, {"", ""}}, {814.2692, 5.7653933, "Meta"} -> 
    {{54776, 46750, 47181}, {"", ""}}, {352.0723, 5.766555, "Meta"} -> 
    {{213812, 196745, 186759}, {"Griseofulvin [ C17 H17 Cl O6, db=62.45, \
overall=31.22, KEGG ID=C06686, CAS ID=126-07-8 ]", "126-07-8"}}, 
   {561.114, 5.765363, "Meta"} -> {{49560, 34817, 34275}, {"", ""}}, 
   {367.0347, 5.766611, "Meta"} -> {{240715, 180791, 161999}, 
     {"H 167/87 [ C17 H15 Cl2 N O4, db=30.19, overall=15.10, KEGG ID=, CAS \
ID=91854-01-2 ]", "91854-01-2"}}, {137.0587, 5.7666464, "Meta"} -> 
    {{201343, 182567, 183770}, {"Isoniazid [ C6 H7 N3 O, db=85.82, \
overall=42.91, KEGG ID=C07054, CAS ID=54-85-3 ]", "54-85-3"}}, 
   {680.2204, 5.7653627, "Meta"} -> {{57608, 52156, 55009}, {"", ""}}, 
   {194.0796, 5.7665, "Meta"} -> {{1.75*^7, 1.52*^7, 1.49*^7}, 
     {"D-Glucoside [ C7 H14 O6, db=97.63, overall=48.82, HMP ID=HMDB03570, \
KEGG ID= ]", ""}}, {292.0482, 5.7668047, "Meta"} -> 
    {{94903, 80592, 79548}, {"", ""}}, {427.0664, 5.7660594, "Meta"} -> 
    {{42208, 32700, 32599}, {"", ""}}, {308.021, 5.7663703, "Meta"} -> 
    {{37089, 31833, 28204}, {"", ""}}, {336.0987, 5.766, "Meta"} -> 
    {{31721, 34820, 32410}, {"", ""}}, {339.0394, 5.7657404, "Meta"} -> 
    {{28488, 21647, 19933}, {"", ""}}, {276.0943, 5.767443, "Meta"} -> 
    {{231087, 201641, 188390}, 
     {"Glu Glu [ C10 H16 N2 O7, db=91.86, overall=45.93 ]", ""}}, 
   {546.167, 5.766311, "Meta"} -> {{48377, 51347, 56912}, {"", ""}}, 
   {82.0146, 5.7676473, "Meta"} -> {{401537, 349221, 355506}, {"", ""}}, 
   {450.2112, 6.0146294, "Meta"} -> {{47536, 40853, 44615}, {"", ""}}, 
   {598.3831, 6.149971, "Meta"} -> {{110104, 52869, 69528}, {"", ""}}, 
   {210.1363, 6.1674, "Meta"} -> {{256422, 225556, 258676}, {"", ""}}, 
   {1076.5251, 6.1918607, "Meta"} -> {{618641, 515587, 552271}, {"", ""}}, 
   {285.1937, 6.2077217, "Meta"} -> {{201572, 60206, 112313}, {"", ""}}, 
   {413.1947, 6.402389, "Meta"} -> {{302699, 244895, 260723}, 
     {"Phe Phe Thr [ C22 H27 N3 O5, db=96.85, overall=48.42 ]", ""}}, 
   {210.1363, 6.4091425, "Meta"} -> {{128779, 90343, 96613}, {"", ""}}, 
   {171.1256, 6.4184237, "Meta"} -> {{349164, 358662, 322005}, 
     {"Gabapentin [ C9 H17 N O2, db=89.41, overall=44.71, KEGG ID=C07018, CAS \
ID=60142-96-3 ]", "60142-96-3"}}, {225.134, 6.4274607, "Meta"} -> 
    {{212756, 1, 1}, {"", ""}}, {464.2267, 6.4558063, "Meta"} -> 
    {{35203, 30733, 32245}, {"", ""}}, {636.2752, 6.4700866, "Meta"} -> 
    {{67006, 56255, 53398}, 
     {" [ C34 H40 N2 O10, db=0.00, overall=30.97, mfg=61.94 ]", ""}}, 
   {401.8564, 6.4737997, "Meta"} -> {{98048, 92361, 102750}, {"", ""}}, 
   {1205.5684, 6.4744167, "Meta"} -> {{1497263, 1194924, 1244713}, {"", ""}}, 
   {650.291, 6.4855704, "Meta"} -> {{27862, 28536, 30356}, {"", ""}}, 
   {1072.4163, 6.52011, "Meta"} -> {{62865, 49837, 48991}, {"", ""}}, 
   {1019.5046, 6.519862, "Meta"} -> {{2507875, 2117200, 2141285}, {"", ""}}, 
   {339.8352, 6.519917, "Meta"} -> {{1, 57247, 56985}, {"", ""}}, 
   {370.2202, 6.5523853, "Meta"} -> {{26699, 1, 1}, {"", ""}}, 
   {393.1896, 6.6016774, "Meta"} -> {{29414, 1, 38899}, 
     {"Phe Leu Asp [ C19 H27 N3 O6, db=93.55, overall=46.78 ]", ""}}, 
   {1262.5898, 6.6459446, "Meta"} -> {{888433, 738531, 732282}, {"", ""}}, 
   {748.3746, 6.6664577, "Meta"} -> {{152273, 118987, 149826}, {"", ""}}, 
   {467.5117, 6.6833715, "Meta"} -> {{48136, 32984, 26469}, {"", ""}}, 
   {449.8743, 6.681861, "Meta"} -> {{175255, 138542, 139599}, {"", ""}}, 
   {1349.622, 6.682221, "Meta"} -> {{1357346, 1172247, 1208283}, {"", ""}}, 
   {462.5233, 6.6829696, "Meta"} -> {{83222, 1, 69251}, {"", ""}}, 
   {467.8464, 6.68125, "Meta"} -> {{33495, 24864, 1}, {"", ""}}, 
   {457.2013, 6.682588, "Meta"} -> {{29138, 25083, 28176}, {"", ""}}, 
   {1076.5258, 6.7304854, "Meta"} -> {{32704, 28010, 26837}, {"", ""}}, 
   {298.1418, 6.74896, "Meta"} -> {{73691, 57358, 20050}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=73.54, overall=36.77, \
KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {1200.5566, 6.7732415, "Meta"} -> {{28252, 25238, 26483}, {"", ""}}, 
   {741.297, 6.7771387, "Meta"} -> {{86370, 60326, 63937}, {"", ""}}, 
   {189.0785, 6.956638, "Meta"} -> {{255347, 197444, 202568}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=94.09, overall=47.05, HMP \
ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {429.2361, 6.977999, "Meta"} -> {{82399, 44554, 54587}, 
     {"Pro Trp Lys [ C22 H31 N5 O4, db=90.19, overall=45.09 ]", ""}}, 
   {260.0935, 7.0326056, "Meta"} -> {{141384, 167734, 1}, 
     {"Furafylline [ C12 H12 N4 O3, db=57.24, overall=28.62, KEGG ID=, CAS \
ID=80288-49-9 ]", "80288-49-9"}}, {179.1517, 7.0339313, "Meta"} -> 
    {{84661, 162980, 17153}, {"", ""}}, {162.1254, 7.032972, "Meta"} -> 
    {{2732972, 3968974, 420989}, {"", ""}}, {386.884, 7.089772, "Meta"} -> 
    {{113738, 93615, 209208}, {"", ""}}, {339.9438, 7.090166, "Meta"} -> 
    {{140955, 109327, 180852}, {"", ""}}, {165.9783, 7.0914993, "Meta"} -> 
    {{147763, 126031, 1}, {"", ""}}, {324.978, 7.0900297, "Meta"} -> 
    {{46642, 40801, 1}, {"", ""}}, {389.8912, 7.089734, "Meta"} -> 
    {{48889, 36931, 77662}, {"", ""}}, {554.8763, 7.0902586, "Meta"} -> 
    {{453198, 1, 866187}, {"", ""}}, {590.8546, 7.090121, "Meta"} -> 
    {{1, 108926, 271679}, {"", ""}}, {166.9861, 7.0904727, "Meta"} -> 
    {{4906138, 4810705, 1.23*^7}, {"", ""}}, {280.9265, 7.090501, "Meta"} -> 
    {{130394, 117944, 1}, {"", ""}}, {264.9547, 7.0911846, "Meta"} -> 
    {{29288, 1, 77837}, {"", ""}}, {395.8936, 7.0915, "Meta"} -> 
    {{62672, 58659, 94944}, {"", ""}}, {431.8628, 7.0915837, "Meta"} -> 
    {{31480, 27628, 75087}, {"", ""}}, {624.9684, 7.1091247, "Meta"} -> 
    {{17816, 14576, 30178}, {"", ""}}, {534.1705, 7.1183324, "Meta"} -> 
    {{12481, 10352, 12567}, {"", ""}}, {354.0646, 7.1213336, "Meta"} -> 
    {{52998, 42733, 41105}, {"", ""}}, {238.0838, 7.121195, "Meta"} -> 
    {{526208, 479001, 481945}, {"Propanoic acid, \
2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- [ C12 H14 O5, db=99.24, \
overall=49.62, KEGG ID=, CAS ID=53564-64-0 ]", "53564-64-0"}}, 
   {278.0763, 7.119251, "Meta"} -> {{285188, 218431, 295738}, {"", ""}}, 
   {351.0169, 7.127134, "Meta"} -> {{1, 1, 14843}, {"", ""}}, 
   {1560.7216, 7.157438, "Meta"} -> {{29742, 26791, 26730}, {"", ""}}, 
   {941.4612, 7.1827216, "Meta"} -> {{137442, 127901, 103175}, {"", ""}}, 
   {299.2095, 7.264514, "Meta"} -> {{43652, 32827, 40091}, {"", ""}}, 
   {270.1572, 7.337296, "Meta"} -> {{33143, 1, 36091}, {"", ""}}, 
   {280.1885, 7.331959, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {361.1425, 7.353097, "Meta"} -> {{39169, 26945, 35277}, 
     {"N-Acetylnorfloxacin [ C18 H20 F N3 O4, db=74.33, overall=37.17, KEGG \
ID=, CAS ID=74011-56-6 ]", "74011-56-6"}}, {309.194, 7.3625283, "Meta"} -> 
    {{139659, 73125, 106840}, {"Nadolol [ C17 H27 N O4, db=98.01, \
overall=49.00, KEGG ID=C07249, CAS ID=42200-33-9 ]", "42200-33-9"}}, 
   {920.4221, 7.436666, "Meta"} -> {{130605, 103462, 90970}, {"", ""}}, 
   {287.2094, 7.4803905, "Meta"} -> {{106368, 41650, 70099}, 
     {"O-octanoyl-R-carnitine [ C15 H29 N O4, db=84.96, overall=42.48, Lipid \
ID=, KEGG ID=C02838 ]", ""}}, {206.1518, 7.485084, "Meta"} -> 
    {{155799, 1, 1}, {"", ""}}, {174.0887, 7.533999, "Meta"} -> 
    {{587930, 907919, 1}, {"2-Propylglutaric acid [ C8 H14 O4, db=96.02, \
overall=48.01, KEGG ID=, CAS ID=32806-62-5 ]", "32806-62-5"}}, 
   {142.0625, 7.5357056, "Meta"} -> {{155353, 233139, 60928}, 
     {"7-hydroxy-5-heptynoic acid [ C7 H10 O3, db=91.50, overall=45.75, Lipid \
ID=, KEGG ID= ]", ""}}, {833.3582, 7.620576, "Meta"} -> 
    {{154756, 130969, 123211}, {"", ""}}, {182.0914, 7.628904, "Meta"} -> 
    {{90596, 83760, 1}, {"Dacarbazine [ C6 H10 N6 O, db=63.87, overall=31.94, \
KEGG ID=C06936, CAS ID=4342-03-4 ]", "3/4/42"}}, 
   {1389.6527, 7.619026, "Meta"} -> {{212267, 195154, 197379}, {"", ""}}, 
   {170.1415, 7.7676864, "Meta"} -> {{67489, 73502, 84629}, {"", ""}}, 
   {1193.519, 7.7542224, "Meta"} -> {{189506, 181309, 197508}, {"", ""}}, 
   {318.1216, 7.8365397, "Meta"} -> {{16482, 15147, 59050}, 
     {"Fluvoxamine acid [ C14 H17 F3 N2 O3, db=57.11, overall=28.55, KEGG \
ID=, CAS ID=84692-89-7 ]", "84692-89-7"}}, {432.8377, 7.851473, "Meta"} -> 
    {{50426, 33909, 31990}, {"", ""}}, {433.1729, 7.8523235, "Meta"} -> 
    {{36999, 32820, 23440}, {"", ""}}, {1245.5992, 7.851389, "Meta"} -> 
    {{2671104, 2413718, 2288166}, {"", ""}}, {415.2002, 7.8513994, "Meta"} -> 
    {{225942, 205829, 197093}, {"", ""}}, {428.1836, 7.8517575, "Meta"} -> 
    {{59475, 61242, 1}, 
     {"Ser Trp His [ C20 H24 N6 O5, db=49.60, overall=24.80 ]", ""}}, 
   {1298.5118, 7.8517423, "Meta"} -> {{114676, 89256, 58581}, {"", ""}}, 
   {863.401, 7.871555, "Meta"} -> {{378866, 332058, 326388}, {"", ""}}, 
   {916.3146, 7.8727407, "Meta"} -> {{35520, 25075, 21549}, {"", ""}}, 
   {189.0785, 7.8873053, "Meta"} -> {{61318, 52024, 55413}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=68.09, overall=34.05, HMP \
ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {185.1414, 7.8914566, "Meta"} -> {{199701, 184105, 177941}, 
     {"N-methyl-Gabapentin [ C10 H19 N O2, db=74.42, overall=37.21, KEGG ID=, \
CAS ID=102937-74-6 ]", "102937-74-6"}}, {208.0732, 8.064808, "Meta"} -> 
    {{72414, 57041, 47336}, {"2,5-Dimethoxycinnamic acid [ C11 H12 O4, \
db=79.88, overall=39.94, HMP ID=HMDB02370, KEGG ID= ]", ""}}, 
   {318.1217, 8.112399, "Meta"} -> {{28577, 23714, 67781}, 
     {"Fluvoxamine acid [ C14 H17 F3 N2 O3, db=51.04, overall=25.52, KEGG \
ID=, CAS ID=84692-89-7 ]", "84692-89-7"}}, {186.1189, 8.142306, "Meta"} -> 
    {{359262, 405103, 372885}, {"", ""}}, {415.3079, 8.180323, "Meta"} -> 
    {{37122, 33380, 32640}, {"", ""}}, {301.2252, 8.18464, "Meta"} -> 
    {{158130, 153810, 132897}, {"", ""}}, {210.0888, 8.229969, "Meta"} -> 
    {{72898, 64896, 59378}, {"Methoxyhydroxymethylhydrocinnamic acid [ C11 \
H14 O4, db=76.31, overall=38.15, KEGG ID=, CAS ID=53832-93-2 ]", 
      "53832-93-2"}}, {619.2852, 8.249543, "Meta"} -> 
    {{84913, 83986, 64100}, 
     {" [ C34 H41 N3 O8, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {301.2252, 8.364499, "Meta"} -> {{65384, 45133, 50486}, {"", ""}}, 
   {224.1042, 8.49708, "Meta"} -> {{39500, 28146, 1}, {"", ""}}, 
   {222.0865, 8.595155, "Meta"} -> {{70302, 55325, 53248}, {"", ""}}, 
   {538.2428, 8.63658, "Meta"} -> {{15195, 1, 13930}, {"", ""}}, 
   {289.1346, 8.648037, "Meta"} -> {{95728, 34724, 1}, {"", ""}}, 
   {332.1369, 8.648942, "Meta"} -> {{231434, 317444, 292236}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=83.61, \
overall=41.80, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {247.1604, 8.659072, "Meta"} -> {{106868, 91191, 99944}, {"", ""}}, 
   {1395.5562, 8.677833, "Meta"} -> {{3235520, 2794374, 3163448}, {"", ""}}, 
   {1237.4865, 8.679944, "Meta"} -> {{928274, 834074, 914035}, {"", ""}}, 
   {1290.4019, 8.679688, "Meta"} -> {{83682, 72571, 87232}, {"", ""}}, 
   {1059.5352, 8.717444, "Meta"} -> {{151587, 163541, 135646}, {"", ""}}, 
   {201.1364, 8.713065, "Meta"} -> {{25886, 17427, 23707}, 
     {"Capryloylglycine [ C10 H19 N O3, db=67.21, overall=33.61, HMP \
ID=HMDB00832, KEGG ID= ]", ""}}, {302.1881, 8.721181, "Meta"} -> 
    {{73318, 63169, 60953}, {"2-Methoxyestradiol [ C19 H26 O3, db=78.62, \
overall=39.31, HMP ID=HMDB00405, KEGG ID= ]", ""}}, 
   {496.2306, 8.726456, "Meta"} -> {{91671, 73764, 75566}, {"", ""}}, 
   {594.2002, 8.727458, "Meta"} -> {{19329, 13466, 15166}, {"", ""}}, 
   {332.1369, 8.780612, "Meta"} -> {{517810, 1011150, 758740}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=85.03, \
overall=42.52, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {430.1107, 8.796733, "Meta"} -> {{40179, 56903, 60333}, {"", ""}}, 
   {300.1108, 8.80197, "Meta"} -> {{176467, 225519, 297238}, {"", ""}}, 
   {313.2252, 8.7906, "Meta"} -> {{137246, 81409, 91164}, {"", ""}}, 
   {286.2617, 8.82916, "Meta"} -> {{39318, 57632, 49100}, {"", ""}}, 
   {346.1526, 8.849605, "Meta"} -> {{52096, 61340, 49741}, {"", ""}}, 
   {215.1519, 8.867749, "Meta"} -> {{124702, 115109, 113361}, {"", ""}}, 
   {224.1021, 8.969444, "Meta"} -> {{34041, 1, 27340}, {"", ""}}, 
   {223.1208, 8.969972, "Meta"} -> {{41332, 35816, 35952}, 
     {"Rimiterol [ C12 H17 N O3, db=47.61, overall=23.81, KEGG ID=, CAS \
ID=32953-89-2 ]", "32953-89-2"}}, {196.1092, 8.977416, "Meta"} -> 
    {{35559, 28687, 26289}, {"Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- [ \
C11 H16 O3, db=59.23, overall=29.61, KEGG ID=, CAS ID=64111-04-2 ]", 
      "64111-04-2"}}, {253.165, 9.127285, "Meta"} -> 
    {{217413, 197887, 186548}, {"", ""}}, {199.157, 9.126751, "Meta"} -> 
    {{560795, 560903, 518807}, {"", ""}}, {1089.4962, 9.145666, "Meta"} -> 
    {{341835, 297934, 298844}, {"", ""}}, {346.1526, 9.17123, "Meta"} -> 
    {{37701, 31910, 29079}, {"", ""}}, {181.1102, 9.210125, "Meta"} -> 
    {{118179, 100926, 98400}, {"2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- \
Metabolite [ C10 H15 N O2, db=76.98, overall=38.49, KEGG ID=, CAS ID= ]", 
      ""}}, {382.2563, 9.247962, "Meta"} -> {{67875, 54446, 1}, 
     {"C17 Sphingosine-1-phosphate [ C17 H39 N2 O5 P, db=59.88, \
overall=29.94, Lipid ID=LMSP01040004, KEGG ID= ]", ""}}, 
   {592.3259, 9.304143, "Meta"} -> {{26047, 18503, 24492}, {"", ""}}, 
   {298.1321, 9.309667, "Meta"} -> {{58464, 45491, 52882}, {"", ""}}, 
   {411.1791, 9.316696, "Meta"} -> {{42873, 40105, 60562}, 
     {"Tyr Val Met [ C19 H29 N3 O5 S, db=58.11, overall=29.06 ]", ""}}, 
   {332.1369, 9.345439, "Meta"} -> {{31947, 40853, 49872}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=61.66, \
overall=30.83, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {189.1184, 9.360473, "Meta"} -> {{131781, 85757, 653237}, {"", ""}}, 
   {211.1571, 9.3698, "Meta"} -> {{50827, 59600, 51785}, {"", ""}}, 
   {196.1076, 9.373194, "Meta"} -> {{92739, 50843, 51578}, {"", ""}}, 
   {343.2259, 9.375806, "Meta"} -> {{54065, 27758, 23312}, 
     {"dibucaine [ C20 H29 N3 O2, db=78.46, overall=39.23, KEGG ID=, CAS \
ID=85-79-0 ]", "85-79-0"}}, {594.3415, 9.429972, "Meta"} -> 
    {{121698, 101381, 119254}, {"L-Urobilin [ C33 H46 N4 O6, db=97.19, \
overall=48.59, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {202.1203, 9.477693, "Meta"} -> {{75359, 78066, 62279}, 
     {"sebacic acid [ C10 H18 O4, db=70.07, overall=35.04, KEGG ID=C08277, \
CAS ID=111-20-6 ]", "111-20-6"}}, {254.1153, 9.500695, "Meta"} -> 
    {{281557, 245828, 258707}, {"methyl \
4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ C13 H18 O5, \
db=77.56, overall=38.78, Lipid ID=, KEGG ID= ]", ""}}, 
   {640.2432, 9.499125, "Meta"} -> {{21496, 17266, 16283}, 
     {"5-Methyltetrahydropteroyltri-L-glutamate [ C25 H36 N8 O12, db=61.28, \
overall=30.64, KEGG ID=C04489, CAS ID= ]", ""}}, 
   {564.2544, 9.498889, "Meta"} -> {{60937, 57086, 55714}, {"", ""}}, 
   {330.2192, 9.5008, "Meta"} -> {{1, 29246, 36707}, 
     {"Gestodene metabolite 2 [ C21 H30 O3, db=68.18, overall=34.09, KEGG \
ID=, CAS ID= ]", ""}}, {262.12, 9.519543, "Meta"} -> 
    {{37628, 33542, 33137}, {"Artemisin [ C15 H18 O4, db=68.17, \
overall=34.08, Lipid ID=LMPR01030020, KEGG ID=C09344 ]", ""}}, 
   {264.1357, 9.516806, "Meta"} -> {{123876, 115782, 87681}, {"", ""}}, 
   {327.2406, 9.530406, "Meta"} -> {{136256, 45381, 75631}, {"", ""}}, 
   {463.184, 9.53997, "Meta"} -> {{50775, 55199, 46954}, 
     {"Ritodrine glucuronide [ C23 H29 N O9, db=95.20, overall=47.60, KEGG \
ID=, CAS ID=129464-58-0 ]", "129464-58-0"}}, {273.1762, 9.569387, "Meta"} -> 
    {{98993, 91647, 90471}, {"", ""}}, {327.2405, 9.610461, "Meta"} -> 
    {{137278, 98671, 111847}, {"", ""}}, {273.1762, 9.6855, "Meta"} -> 
    {{157398, 138675, 133088}, {"", ""}}, {360.1935, 9.683611, "Meta"} -> 
    {{88300, 68875, 72341}, {"Aldosterone [ C21 H28 O5, db=80.00, \
overall=40.00, KEGG ID=, CAS ID=52-39-1 ]", "52-39-1"}}, 
   {238.1201, 9.702206, "Meta"} -> {{506794, 123504, 123363}, {"", ""}}, 
   {520.202, 9.758688, "Meta"} -> {{32049, 26249, 30839}, {"", ""}}, 
   {422.2412, 9.75828, "Meta"} -> {{311729, 257121, 242895}, {"", ""}}, 
   {362.2091, 9.759223, "Meta"} -> {{1007446, 724105, 720763}, 
     {"20alpha-Dihydroprednisolone [ C21 H30 O5, db=80.45, overall=40.22, \
KEGG ID=, CAS ID=15847-24-2 ]", "15847-24-2"}}, 
   {346.214, 9.791315, "Meta"} -> {{1, 26739, 28912}, 
     {"Corticosterone [ C21 H30 O4, db=61.19, overall=30.59, HMP \
ID=HMDB01547, KEGG ID= ]", ""}}, {638.2274, 9.789353, "Meta"} -> 
    {{21432, 18645, 17247}, {"", ""}}, {346.1525, 9.793889, "Meta"} -> 
    {{248563, 242315, 242987}, {"", ""}}, {562.2387, 9.788788, "Meta"} -> 
    {{55588, 64143, 43472}, {"", ""}}, {557.2833, 9.790912, "Meta"} -> 
    {{23207, 18382, 21730}, {"", ""}}, {510.2462, 9.815877, "Meta"} -> 
    {{44002, 35423, 35005}, {"", ""}}, {229.1674, 9.85191, "Meta"} -> 
    {{68742, 52195, 53112}, {"", ""}}, {548.2599, 9.858362, "Meta"} -> 
    {{25601, 22016, 22212}, {"", ""}}, {504.2344, 9.858466, "Meta"} -> 
    {{32109, 26283, 25241}, {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 \
O9, db=72.48, overall=36.24, KEGG ID=, CAS ID= ]", ""}}, 
   {470.3088, 9.879321, "Meta"} -> {{44580, 41404, 1}, {"", ""}}, 
   {550.2021, 9.877315, "Meta"} -> {{22726, 17350, 18227}, {"", ""}}, 
   {346.1525, 9.904173, "Meta"} -> {{240665, 179844, 207497}, {"", ""}}, 
   {238.0238, 9.941334, "Meta"} -> {{117954, 77696, 112709}, {"", ""}}, 
   {396.272, 9.949917, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {352.1786, 9.951111, "Meta"} -> {{107942, 92531, 87062}, {"", ""}}, 
   {244.0709, 9.960057, "Meta"} -> {{78339, 60581, 59103}, 
     {"Uridine [ C9 H12 N2 O6, db=67.18, overall=33.59, KEGG ID=C00299, CAS \
ID=58-96-8 ]", "58-96-8"}}, {238.1185, 9.979892, "Meta"} -> 
    {{30258, 1, 16040}, {"", ""}}, {330.1981, 9.977964, "Meta"} -> 
    {{1, 59575, 30754}, 
     {"Val Arg Gly [ C13 H26 N6 O4, db=57.73, overall=28.86 ]", ""}}, 
   {284.0936, 9.975928, "Meta"} -> {{24609, 18585, 32890}, {"", ""}}, 
   {463.2106, 10.027572, "Meta"} -> {{16737, 12019, 1}, {"", ""}}, 
   {314.1266, 10.0307455, "Meta"} -> {{149236, 172313, 137665}, {"", ""}}, 
   {314.2933, 10.043069, "Meta"} -> {{44024, 1, 1}, {"", ""}}, 
   {285.1574, 10.05632, "Meta"} -> {{24609, 26586, 32487}, 
     {"6,7-Dimethyltetrahydropterin [ C15 H19 N5 O, db=55.04, overall=27.52, \
HMP ID=HMDB02397, KEGG ID= ]", ""}}, {300.1323, 10.061844, "Meta"} -> 
    {{47420, 45823, 113442}, {"8-Hydroxypromazine [ C17 H20 N2 O S, db=45.98, \
overall=22.99, KEGG ID=, CAS ID=130349-17-6 ]", "130349-17-6"}}, 
   {356.0424, 10.055119, "Meta"} -> {{82413, 67279, 57411}, {"", ""}}, 
   {758.2462, 10.054517, "Meta"} -> {{179487, 146896, 149605}, {"", ""}}, 
   {524.1633, 10.055028, "Meta"} -> {{60536, 49493, 57454}, {"", ""}}, 
   {338.0701, 10.055571, "Meta"} -> {{332430, 285170, 302648}, 
     {"Asn Cys Cys [ C10 H18 N4 O5 S2, db=69.48, overall=34.74 ]", ""}}, 
   {240.0997, 10.05514, "Meta"} -> {{4680323, 3729023, 3978223}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=99.31, overall=49.66, KEGG ID=, CAS ID=56392-15-5 ]", "56392-15-5"}}, 
   {180.0783, 10.055166, "Meta"} -> {{512858, 486906, 475913}, 
     {"o-Methoxyhydrocinnamic acid [ C10 H12 O3, db=99.04, overall=49.52, \
KEGG ID=, CAS ID= ]", ""}}, {222.0891, 10.055057, "Meta"} -> 
    {{2671639, 2452071, 2422888}, {"2E,4E,8E,10E-Dodecatetraenedioic acid [ \
C12 H14 O4, db=99.63, overall=49.81, Lipid ID=, KEGG ID= ]", ""}}, 
   {773.212, 10.0548, "Meta"} -> {{66634, 28310, 32634}, {"", ""}}, 
   {428.1355, 10.05561, "Meta"} -> {{67651, 47403, 51517}, {"", ""}}, 
   {284.0629, 10.055297, "Meta"} -> {{1, 21486, 1}, {"", ""}}, 
   {370.0939, 10.056542, "Meta"} -> {{43563, 31341, 33333}, {"", ""}}, 
   {518.1473, 10.055831, "Meta"} -> {{1, 116842, 48001}, {"", ""}}, 
   {353.0342, 10.055324, "Meta"} -> {{175018, 137209, 120565}, {"", ""}}, 
   {413.0684, 10.055799, "Meta"} -> {{97114, 78205, 58822}, {"", ""}}, 
   {254.1151, 10.055778, "Meta"} -> {{143130, 121472, 127272}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=92.65, overall=46.32, Lipid ID=, KEGG ID= ]", ""}}, 
   {382.1291, 10.055561, "Meta"} -> {{40610, 49464, 51254}, 
     {"Asn Phe Cys [ C16 H22 N4 O5 S, db=52.83, overall=26.41 ]", ""}}, 
   {270.1108, 10.057515, "Meta"} -> {{63000, 224272, 251069}, 
     {"Idebenone Metabolite (Benzenebutanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C13 H18 O6, db=87.10, overall=43.55, \
KEGG ID=, CAS ID=95233-52-6 ]", "95233-52-6"}}, 
   {238.0837, 10.05803, "Meta"} -> {{47883, 64737, 72698}, 
     {"Propanoic acid, 2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- [ C12 H14 O5, \
db=79.56, overall=39.78, KEGG ID=, CAS ID=53564-64-0 ]", "53564-64-0"}}, 
   {329.2564, 10.071557, "Meta"} -> {{160799, 126763, 140221}, {"", ""}}, 
   {298.1417, 10.074715, "Meta"} -> {{15210, 124608, 55917}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=61.89, overall=30.94, \
KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {267.1807, 10.080885, "Meta"} -> {{69957, 1, 61412}, 
     {"Metoprolol [ C15 H25 N O3, db=55.81, overall=27.91, KEGG ID=C07202, \
CAS ID=51384-51-1 ]", "51384-51-1"}}, {213.1727, 10.082888, "Meta"} -> 
    {{110981, 153316, 142193}, {"", ""}}, {280.1306, 10.084135, "Meta"} -> 
    {{29625, 27166, 28588}, {"Betaxolol(deaminated) [ C15 H20 O5, db=67.92, \
overall=33.96, KEGG ID=, CAS ID=87549-34-6 ]", "87549-34-6"}}, 
   {324.0999, 10.10015, "Meta"} -> {{445028, 231888, 144371}, 
     {"7-Hydroxywarfarin [ C19 H16 O5, db=62.79, overall=31.40, KEGG ID=, CAS \
ID=17834-03-6 ]", "17834-03-6"}}, {542.2723, 10.113879, "Meta"} -> 
    {{13022, 12849, 1}, {"", ""}}, {226.1503, 10.1374, "Meta"} -> 
    {{96526, 107246, 171026}, {"", ""}}, {564.2545, 10.16625, "Meta"} -> 
    {{31378, 27950, 29680}, {"", ""}}, {157.1461, 10.186832, "Meta"} -> 
    {{213408, 201007, 457091}, {"", ""}}, {776.6856, 10.190693, "Meta"} -> 
    {{121411, 98493, 98654}, {"Thyroxine [ C15 H11 I4 N O4, db=98.31, \
overall=49.15, KEGG ID=C08212, CAS ID=51-48-9 ]", "51-48-9"}}, 
   {275.1915, 10.220444, "Meta"} -> {{266359, 218750, 223022}, {"", ""}}, 
   {258.165, 10.220358, "Meta"} -> {{19204, 20600, 1}, {"", ""}}, 
   {250.1179, 10.22413, "Meta"} -> {{22730, 19451, 15048}, {"", ""}}, 
   {210.123, 10.228934, "Meta"} -> {{102263, 79618, 78886}, {"", ""}}, 
   {346.1381, 10.229135, "Meta"} -> {{20319, 1, 1}, {"", ""}}, 
   {286.1097, 10.229067, "Meta"} -> {{23475, 1, 17246}, 
     {"His Met [ C11 H18 N4 O3 S, db=62.46, overall=31.23 ]", ""}}, 
   {438.1865, 10.251937, "Meta"} -> {{21111, 1, 19052}, 
     {"Phe Ser Trp [ C23 H26 N4 O5, db=47.42, overall=23.71 ]", ""}}, 
   {254.1509, 10.254307, "Meta"} -> {{20877, 14124, 26925}, {"", ""}}, 
   {222.1614, 10.2523, "Meta"} -> {{34387, 34748, 25586}, {"", ""}}, 
   {272.162, 10.262467, "Meta"} -> {{74249, 74349, 60374}, {"", ""}}, 
   {324.0948, 10.281, "Meta"} -> {{30847, 1, 18217}, {"", ""}}, 
   {166.0989, 10.282687, "Meta"} -> {{45630, 1, 1}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=46.36, overall=23.18, Lipid \
ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, {615.2453, 10.311601, "Meta"} -> 
    {{1, 32492, 1}, {"", ""}}, {582.2476, 10.3178005, "Meta"} -> 
    {{632963, 411948, 247450}, {"Biliverdin IX [ C33 H34 N4 O6, db=70.82, \
overall=35.41, HMP ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", 
      " 114-25-0"}}, {612.2579, 10.319498, "Meta"} -> 
    {{69965, 1, 1}, {"", ""}}, {598.2435, 10.3203745, "Meta"} -> 
    {{52497, 29449, 21349}, {"", ""}}, {580.2318, 10.321624, "Meta"} -> 
    {{1, 1, 41469}, {"", ""}}, {302.1078, 10.325857, "Meta"} -> 
    {{60350, 39016, 53928}, {"", ""}}, {299.1918, 10.32961, "Meta"} -> 
    {{406918, 365320, 361436}, {"", ""}}, {144.1147, 10.324371, "Meta"} -> 
    {{87473, 78308, 76635}, {"\207-ethyl caproic acid [ C8 H16 O2, db=81.51, \
overall=40.75, KEGG ID=, CAS ID= ]", ""}}, {489.1998, 10.348856, "Meta"} -> 
    {{1, 1, 11907}, {"Terbinafine metabolite glucuronide [ C25 H31 N O9, \
db=76.80, overall=38.40, KEGG ID=, CAS ID= ]", ""}}, 
   {264.0959, 10.353962, "Meta"} -> {{1, 38543, 1}, {"", ""}}, 
   {319.0784, 10.364562, "Meta"} -> {{71278, 37099, 138810}, {"", ""}}, 
   {453.2262, 10.414259, "Meta"} -> {{31988, 34777, 29223}, {"", ""}}, 
   {252.134, 10.437142, "Meta"} -> {{89970, 67300, 79707}, {"", ""}}, 
   {343.2186, 10.472101, "Meta"} -> {{44307, 37709, 33204}, {"", ""}}, 
   {632.2476, 10.46173, "Meta"} -> {{14895, 19049, 17300}, {"", ""}}, 
   {314.1266, 10.46791, "Meta"} -> {{1, 42392, 90312}, {"", ""}}, 
   {245.145, 10.478071, "Meta"} -> {{90573, 61732, 1}, {"", ""}}, 
   {690.4105, 10.481418, "Meta"} -> {{18678, 13931, 16498}, {"", ""}}, 
   {492.2092, 10.482031, "Meta"} -> {{44765, 35044, 39361}, {"", ""}}, 
   {416.2284, 10.482223, "Meta"} -> {{167364, 136508, 141399}, 
     {"Ramipril [ C23 H32 N2 O5, db=71.08, overall=35.54, KEGG ID=C07232, CAS \
ID=87333-19-5 ]", "87333-19-5"}}, {356.1961, 10.4823885, "Meta"} -> 
    {{212061, 168465, 173286}, {"", ""}}, {316.2036, 10.483486, "Meta"} -> 
    {{90229, 81999, 82077}, {"Acitretin Ro 23-4293 [ C20 H28 O3, db=83.16, \
overall=41.58, KEGG ID=, CAS ID=121693-28-5 ]", "121693-28-5"}}, 
   {319.218, 10.518692, "Meta"} -> {{28997, 23234, 25105}, {"", ""}}, 
   {250.118, 10.512572, "Meta"} -> {{59683, 39580, 36742}, {"", ""}}, 
   {205.1132, 10.609686, "Meta"} -> {{122560, 125819, 207573}, {"", ""}}, 
   {218.0879, 10.616875, "Meta"} -> {{1, 98063, 100289}, {"", ""}}, 
   {254.1511, 10.619676, "Meta"} -> {{54548, 45011, 52897}, {"", ""}}, 
   {243.1831, 10.626083, "Meta"} -> {{246446, 279788, 165943}, {"", ""}}, 
   {225.1725, 10.6266775, "Meta"} -> {{46969, 52281, 34603}, {"", ""}}, 
   {385.2821, 10.648808, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {602.2044, 10.638667, "Meta"} -> {{12315, 1, 1}, {"", ""}}, 
   {545.3771, 10.661119, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {325.2075, 10.677681, "Meta"} -> {{24230, 26238, 28558}, {"", ""}}, 
   {173.1233, 10.677229, "Meta"} -> {{261497, 143632, 865370}, {"", ""}}, 
   {171.1619, 10.675749, "Meta"} -> {{113189, 124042, 138782}, {"", ""}}, 
   {301.2074, 10.694365, "Meta"} -> {{114691, 91233, 98392}, {"", ""}}, 
   {286.1105, 10.689359, "Meta"} -> {{26079, 1, 1}, 
     {"Hydroxymelphalan [ C13 H19 Cl N2 O3, db=66.75, overall=33.38, KEGG \
ID=, CAS ID=61733-01-5 ]", "61733-01-5"}}, {346.1349, 10.691233, "Meta"} -> 
    {{31557, 25583, 1}, {"", ""}}, {343.2722, 10.704386, "Meta"} -> 
    {{93582, 86378, 82933}, {"Dodecanoylcarnitine [ C19 H37 N O4, db=90.71, \
overall=45.36, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {302.1125, 10.712086, "Meta"} -> {{22342, 19959, 15005}, {"", ""}}, 
   {340.1257, 10.728134, "Meta"} -> {{41765, 32108, 32846}, {"", ""}}, 
   {242.1516, 10.728, "Meta"} -> {{356479, 318986, 308776}, {"", ""}}, 
   {400.1631, 10.728265, "Meta"} -> {{45460, 49380, 44094}, 
     {"N-AcetylCilastatin [ C18 H28 N2 O6 S, db=63.48, overall=31.74, KEGG \
ID=, CAS ID=94388-32-6 ]", "94388-32-6"}}, {331.2723, 10.732485, "Meta"} -> 
    {{55747, 52443, 55933}, {"", ""}}, {252.1335, 10.748029, "Meta"} -> 
    {{59290, 46074, 41895}, {"", ""}}, {212.1408, 10.760103, "Meta"} -> 
    {{33013, 1, 30554}, {"12-oxo-10Z-dodecenoic acid [ C12 H20 O3, db=80.89, \
overall=40.45, Lipid ID=, KEGG ID= ]", ""}}, {239.1884, 10.751323, "Meta"} -> 
    {{62219, 52314, 1}, {"", ""}}, {226.0562, 10.78225, "Meta"} -> 
    {{139881, 75162, 120295}, {"", ""}}, {367.2718, 10.79603, "Meta"} -> 
    {{69838, 1, 40437}, {"", ""}}, {262.1177, 10.825701, "Meta"} -> 
    {{57002, 45679, 44371}, {"", ""}}, {343.2721, 10.835971, "Meta"} -> 
    {{194903, 74089, 117881}, {"Dodecanoylcarnitine [ C19 H37 N O4, db=97.12, \
overall=48.56, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {227.1882, 10.834806, "Meta"} -> {{348738, 493161, 301584}, {"", ""}}, 
   {281.1964, 10.834471, "Meta"} -> {{159996, 230440, 128105}, {"", ""}}, 
   {589.4036, 10.839125, "Meta"} -> {{31234, 1, 35542}, {"", ""}}, 
   {316.1647, 10.838167, "Meta"} -> {{43122, 43116, 37368}, 
     {"Gibberellin A9 [ C19 H24 O4, db=60.62, overall=30.31, Lipid \
ID=LMPR01040080, KEGG ID=C11863 ]", ""}}, {594.3588, 10.837862, "Meta"} -> 
    {{44684, 35999, 38905}, {"", ""}}, {346.1531, 10.850415, "Meta"} -> 
    {{18995, 18871, 1}, {"", ""}}, {360.1682, 10.850501, "Meta"} -> 
    {{34165, 36890, 65783}, {"", ""}}, {328.142, 10.851166, "Meta"} -> 
    {{109711, 138610, 225615}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=71.54, overall=35.77 ]", ""}}, 
   {298.1327, 10.851243, "Meta"} -> {{26968, 21206, 1}, {"", ""}}, 
   {355.272, 10.84606, "Meta"} -> {{433144, 226822, 282786}, {"", ""}}, 
   {383.288, 10.873963, "Meta"} -> {{1, 26226, 27494}, {"", ""}}, 
   {388.2436, 10.871462, "Meta"} -> {{40313, 36081, 34064}, 
     {"Thr Ile Arg [ C16 H32 N6 O5, db=61.43, overall=30.71 ]", ""}}, 
   {284.1808, 10.88514, "Meta"} -> {{69193, 66906, 67874}, {"", ""}}, 
   {301.2077, 10.885583, "Meta"} -> {{2119687, 1817202, 1740041}, {"", ""}}, 
   {276.1936, 10.92211, "Meta"} -> {{150253, 142816, 147468}, {"", ""}}, 
   {342.3243, 10.933499, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {242.1516, 10.939269, "Meta"} -> {{146819, 128468, 120224}, {"", ""}}, 
   {400.163, 10.940041, "Meta"} -> {{21476, 23138, 19699}, 
     {"N-AcetylCilastatin [ C18 H28 N2 O6 S, db=61.45, overall=30.73, KEGG \
ID=, CAS ID=94388-32-6 ]", "94388-32-6"}}, {287.2463, 10.968501, "Meta"} -> 
    {{91153, 92352, 95857}, {"", ""}}, {498.3417, 10.976148, "Meta"} -> 
    {{36299, 1, 22278}, {"", ""}}, {381.2882, 10.990801, "Meta"} -> 
    {{32643, 25400, 25933}, {"5,6-DiHETrE-EA [ C22 H39 N O4, db=62.62, \
overall=31.31, Lipid ID=LMFA08040029, KEGG ID= ]", ""}}, 
   {431.2308, 10.993176, "Meta"} -> {{20547, 19100, 20499}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=63.44, overall=31.72 ]", ""}}, 
   {414.2039, 10.993806, "Meta"} -> {{124760, 105214, 107222}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=75.35, overall=37.67 ]", ""}}, 
   {616.403, 10.994139, "Meta"} -> {{42041, 32784, 1}, {"", ""}}, 
   {633.4297, 10.99538, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {285.9721, 10.995276, "Meta"} -> {{38339, 33392, 317366}, {"", ""}}, 
   {249.1109, 11.002543, "Meta"} -> {{128762, 34375, 1}, {"", ""}}, 
   {440.2017, 10.997424, "Meta"} -> {{34052, 22857, 27971}, 
     {"Phe Gln Phe [ C23 H28 N4 O5, db=38.67, overall=19.34 ]", ""}}, 
   {276.1334, 11.004139, "Meta"} -> {{70075, 74638, 69176}, 
     {"Saccharopine [ C11 H20 N2 O6, db=56.45, overall=28.23, KEGG ID=, CAS \
ID=997-68-2 ]", "997-68-2"}}, {465.3087, 11.014788, "Meta"} -> 
    {{76836, 65846, 63371}, {"Cholylglycine [ C26 H43 N O6, db=75.71, \
overall=37.85, KEGG ID=, CAS ID=475-31-0 ]", "475-31-0"}}, 
   {236.1403, 11.007713, "Meta"} -> {{122456, 93057, 90813}, {"", ""}}, 
   {345.2335, 11.036324, "Meta"} -> {{154409, 139857, 129419}, {"", ""}}, 
   {410.2874, 11.06508, "Meta"} -> {{38203, 1, 1}, {"", ""}}, 
   {402.2185, 11.074946, "Meta"} -> {{28276, 25376, 23190}, 
     {"Trandolaprilat [ C22 H30 N2 O5, db=47.66, overall=23.83, KEGG ID=, CAS \
ID=87679-71-8 ]", "87679-71-8"}}, {276.0972, 11.078914, "Meta"} -> 
    {{324807, 286826, 281806}, 
     {"Glu Glu [ C10 H16 N2 O7, db=71.47, overall=35.73 ]", ""}}, 
   {331.2721, 11.109583, "Meta"} -> {{89954, 91785, 104222}, {"", ""}}, 
   {402.1563, 11.114313, "Meta"} -> {{64148, 41172, 1}, {"", ""}}, 
   {321.215, 11.114806, "Meta"} -> {{871490, 541540, 87347}, {"", ""}}, 
   {304.1884, 11.114723, "Meta"} -> {{2529664, 1418860, 209918}, {"", ""}}, 
   {224.0838, 11.132531, "Meta"} -> {{38712, 58824, 40553}, {"", ""}}, 
   {278.0912, 11.133195, "Meta"} -> {{42053, 63931, 43279}, 
     {"Glu Met [ C10 H18 N2 O5 S, db=50.61, overall=25.31 ]", ""}}, 
   {327.223, 11.149416, "Meta"} -> {{225009, 193517, 179913}, 
     {"Levonorgestrel oxime [ C21 H29 N O2, db=60.97, overall=30.49, KEGG \
ID=, CAS ID=53016-31-2 ]", "53016-31-2"}}, {172.1474, 11.181901, "Meta"} -> 
    {{105532, 81812, 86657}, {"3-methyl-nonanoic acid [ C10 H20 O2, db=48.71, \
overall=24.36, Lipid ID=, KEGG ID= ]", ""}}, {238.1544, 11.197818, "Meta"} -> 
    {{123596, 126459, 127862}, {"", ""}}, {265.0592, 11.2015, "Meta"} -> 
    {{289935, 58348, 167822}, {"", ""}}, {256.1671, 11.202999, "Meta"} -> 
    {{71339, 68709, 29246}, {"", ""}}, {331.272, 11.201206, "Meta"} -> 
    {{26175, 44490, 1}, {"", ""}}, {202.1566, 11.219847, "Meta"} -> 
    {{119654, 1, 102285}, {"10-hydroxy-undecanoic acid [ C11 H22 O3, \
db=57.60, overall=28.80, Lipid ID=, KEGG ID= ]", ""}}, 
   {357.2877, 11.224555, "Meta"} -> {{950243, 648360, 720582}, {"", ""}}, 
   {287.2463, 11.230424, "Meta"} -> {{60260, 51172, 30389}, {"", ""}}, 
   {286.196, 11.254839, "Meta"} -> {{29029, 19815, 17088}, 
     {"Androstenedione [ C19 H26 O2, db=51.24, overall=25.62, KEGG ID=C00280, \
CAS ID=63-05-8 ]", "63-05-8"}}, {306.1806, 11.240032, "Meta"} -> 
    {{43498, 39291, 38563}, {"Tetranor Iloprost [ C18 H26 O4, db=57.37, \
overall=28.69, KEGG ID=, CAS ID=93220-69-0 ]", "93220-69-0"}}, 
   {303.223, 11.255501, "Meta"} -> {{406777, 310152, 294603}, {"", ""}}, 
   {288.1332, 11.251001, "Meta"} -> {{45909, 35972, 31470}, 
     {"4-Methylumbelliferyl heptanoate [ C17 H20 O4, db=40.76, overall=20.38, \
KEGG ID=, CAS ID=18319-92-1 ]", "18319-92-1"}}, 
   {248.1406, 11.251324, "Meta"} -> {{25790, 18443, 17681}, 
     {"2,4-Pentadienoic acid, \
3-methyl-5-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)- [ C15 H20 O3, db=58.71, \
overall=29.36, KEGG ID=, CAS ID=126624-24-6 ]", "126624-24-6"}}, 
   {358.2326, 11.257731, "Meta"} -> {{54827, 1, 45089}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=70.59, overall=35.30 ]", ""}}, 
   {717.4275, 11.272499, "Meta"} -> {{79348, 57172, 69017}, {"", ""}}, 
   {587.1718, 11.289588, "Meta"} -> {{19725, 19191, 15722}, {"", ""}}, 
   {294.1107, 11.290332, "Meta"} -> {{30491, 28809, 23751}, {"", ""}}, 
   {1280.5605, 11.288729, "Meta"} -> {{13865, 19737, 15395}, {"", ""}}, 
   {452.1514, 11.289388, "Meta"} -> {{70632, 65584, 57963}, {"", ""}}, 
   {586.2752, 11.289446, "Meta"} -> {{158388, 154802, 163885}, {"", ""}}, 
   {527.1393, 11.289233, "Meta"} -> {{103315, 101558, 78018}, {"", ""}}, 
   {496.1945, 11.289706, "Meta"} -> {{25209, 30026, 25530}, 
     {"Trp Glu Tyr [ C25 H28 N4 O7, db=59.40, overall=29.70 ]", ""}}, 
   {845.4351, 11.289027, "Meta"} -> {{258942, 318107, 306370}, {"", ""}}, 
   {530.1451, 11.290032, "Meta"} -> {{50225, 51281, 42932}, 
     {"Ketoconazole [ C26 H28 Cl2 N4 O4, db=59.08, overall=29.54, KEGG \
ID=C07061, CAS ID=65277-42-1 ]", "65277-42-1"}}, 
   {531.2824, 11.290118, "Meta"} -> {{24532, 32614, 28496}, {"", ""}}, 
   {866.3558, 11.289026, "Meta"} -> {{71059, 85121, 69876}, {"", ""}}, 
   {876.3872, 11.289584, "Meta"} -> {{40791, 45543, 38852}, {"", ""}}, 
   {608.2851, 11.289752, "Meta"} -> {{22300, 21152, 21068}, 
     {" [ C34 H42 N O9, db=0.00, overall=41.18, mfg=82.37 ]", ""}}, 
   {445.2463, 11.290056, "Meta"} -> {{114396, 127335, 138614}, {"", ""}}, 
   {534.248, 11.289888, "Meta"} -> {{923102, 1054045, 1035005}, {"", ""}}, 
   {512.1748, 11.289804, "Meta"} -> {{242714, 265218, 243680}, {"", ""}}, 
   {485.2606, 11.290346, "Meta"} -> {{66134, 1, 48313}, {"", ""}}, 
   {414.2037, 11.289584, "Meta"} -> {{1.12*^7, 1.22*^7, 1.07*^7}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=82.04, overall=41.02 ]", ""}}, 
   {280.131, 11.2896385, "Meta"} -> {{97004, 102181, 98423}, 
     {"Betaxolol(deaminated) [ C15 H20 O5, db=93.07, overall=46.54, KEGG ID=, \
CAS ID=87549-34-6 ]", "87549-34-6"}}, {431.2309, 11.289611, "Meta"} -> 
    {{3482547, 3841565, 3973774}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=83.76, overall=41.88 ]", ""}}, 
   {487.292, 11.2910595, "Meta"} -> {{39973, 40153, 41625}, {"", ""}}, 
   {544.1991, 11.289091, "Meta"} -> {{23598, 30168, 22138}, {"", ""}}, 
   {471.2445, 11.291112, "Meta"} -> {{27237, 31501, 43531}, {"", ""}}, 
   {459.2618, 11.289667, "Meta"} -> {{386960, 513416, 694854}, 
     {"Arg Val Trp [ C22 H33 N7 O4, db=83.80, overall=41.90 ]", ""}}, 
   {457.2271, 11.291111, "Meta"} -> {{103627, 91805, 91829}, {"", ""}}, 
   {493.246, 11.289943, "Meta"} -> {{27491, 29434, 25406}, 
     {"Epothilone A [ C26 H39 N O6 S, db=62.97, overall=31.48, Lipid \
ID=LMPK01000045, KEGG ID=C12153 ]", ""}}, {560.2447, 11.289834, "Meta"} -> 
    {{31686, 35232, 32196}, {"Chloramphenicol palmitate [ C27 H42 Cl2 N2 O6, \
db=50.93, overall=25.46, KEGG ID=C11726, CAS ID=530-43-8 ]", "530-43-8"}}, 
   {473.2773, 11.28986, "Meta"} -> {{80520, 111223, 133404}, 
     {"Leu Trp Arg [ C23 H35 N7 O4, db=65.72, overall=32.86 ]", ""}}, 
   {480.1932, 11.290501, "Meta"} -> {{50050, 42696, 39070}, {"", ""}}, 
   {440.2009, 11.290919, "Meta"} -> {{167009, 156190, 131478}, 
     {"punaglandin 8 [ C23 H33 Cl O6, db=31.94, overall=15.97, Lipid \
ID=LMFA03120045, KEGG ID= ]", ""}}, {749.4477, 11.296001, "Meta"} -> 
    {{19096, 18060, 15799}, {"", ""}}, {455.3245, 11.3231, "Meta"} -> 
    {{59233, 1, 39665}, {"", ""}}, {369.2876, 11.339501, "Meta"} -> 
    {{198037, 66875, 107520}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, \
db=97.62, overall=48.81, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {226.1929, 11.347332, "Meta"} -> {{137435, 132228, 129084}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=85.58, overall=42.79, \
KEGG ID=, CAS ID= ]", ""}}, {336.1572, 11.353258, "Meta"} -> 
    {{120595, 143880, 111596}, {"", ""}}, {243.2196, 11.351666, "Meta"} -> 
    {{42047, 42977, 39740}, {"2-amino-tetradecanoic acid [ C14 H29 N O2, \
db=77.47, overall=38.74, Lipid ID=, KEGG ID= ]", ""}}, 
   {256.1672, 11.371285, "Meta"} -> {{52619, 154163, 141955}, {"", ""}}, 
   {285.1361, 11.375806, "Meta"} -> {{77449, 58801, 273580}, 
     {"Morphine [ C17 H19 N O3, db=95.72, overall=47.86, KEGG ID=C01516, CAS \
ID=57-27-2 ]", "57-27-2"}}, {282.1465, 11.395613, "Meta"} -> 
    {{109316, 92824, 97956}, {"Artemisinin [ C15 H22 O5, db=88.47, \
overall=44.23, KEGG ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {208.1094, 11.39564, "Meta"} -> {{174861, 187669, 166794}, 
     {"1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo- [ C12 H16 O3, \
db=81.98, overall=40.99, KEGG ID=, CAS ID=28043-09-6 ]", "28043-09-6"}}, 
   {250.1206, 11.395556, "Meta"} -> {{1254448, 1103596, 1116965}, 
     {"Ubiquinone [ C14 H18 O4, db=99.59, overall=49.80, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {366.1019, 11.395695, "Meta"} -> 
    {{191703, 154556, 142028}, 
     {"Cys Asn Met [ C12 H22 N4 O5 S2, db=72.32, overall=36.16 ]", ""}}, 
   {381.0665, 11.395805, "Meta"} -> {{68705, 48672, 42412}, {"", ""}}, 
   {268.131, 11.395668, "Meta"} -> {{2162991, 1858135, 1787393}, {"", ""}}, 
   {842.34, 11.395239, "Meta"} -> {{22765, 17280, 1}, {"", ""}}, 
   {589.1759, 11.39528, "Meta"} -> {{12202, 9369, 1}, {"", ""}}, 
   {384.0751, 11.395806, "Meta"} -> {{44940, 35723, 31265}, {"", ""}}, 
   {649.2068, 11.395183, "Meta"} -> {{22101, 16100, 14452}, {"", ""}}, 
   {504.2696, 11.396668, "Meta"} -> {{44599, 34283, 29610}, {"", ""}}, 
   {312.0943, 11.396322, "Meta"} -> {{23023, 1, 21621}, {"", ""}}, 
   {575.2477, 11.396999, "Meta"} -> {{15370, 12375, 9944}, {"", ""}}, 
   {328.1616, 11.3960285, "Meta"} -> {{83248, 84249, 69685}, 
     {"Methotrimeprazine [ C19 H24 N2 O S, db=76.92, overall=38.46, KEGG \
ID=C07192, CAS ID=60-99-1 ]", "60-99-1"}}, {441.1043, 11.396527, "Meta"} -> 
    {{53785, 46554, 37612}, {"", ""}}, {398.1249, 11.39558, "Meta"} -> 
    {{21534, 16127, 17860}, 
     {"Cys Tyr Asn [ C16 H22 N4 O6 S, db=64.30, overall=32.15 ]", ""}}, 
   {410.1626, 11.397676, "Meta"} -> {{1, 33604, 34292}, 
     {"Phe Asn Met [ C18 H26 N4 O5 S, db=72.68, overall=36.34 ]", ""}}, 
   {426.1383, 11.396766, "Meta"} -> {{147544, 147384, 144670}, 
     {"Mometasone [ C22 H28 Cl2 O4, db=54.85, overall=27.42, KEGG ID=C07816, \
CAS ID=105102-22-5 ]", "105102-22-5"}}, {136.1248, 11.399722, "Meta"} -> 
    {{51808, 47167, 43813}, {"(+)-Limonene [ C10 H16, db=85.33, \
overall=42.67, Lipid ID=LMPR01020041, KEGG ID=C06099 ]", ""}}, 
   {266.115, 11.397911, "Meta"} -> {{20604, 23795, 29838}, {"", ""}}, 
   {214.1567, 11.399723, "Meta"} -> {{817145, 708058, 682073}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=86.76, overall=43.38, \
Lipid ID=, KEGG ID= ]", ""}}, {274.189, 11.399056, "Meta"} -> 
    {{106693, 105894, 112346}, {"", ""}}, {312.1249, 11.399559, "Meta"} -> 
    {{30671, 25555, 22218}, {"", ""}}, {154.1354, 11.39986, "Meta"} -> 
    {{96398, 84312, 94720}, {"Linalool [ C10 H18 O, db=84.18, overall=42.09, \
Lipid ID=LMPR01020038, KEGG ID=C03985 ]", ""}}, 
   {647.4454, 11.415207, "Meta"} -> {{1, 36128, 39001}, {"", ""}}, 
   {196.1447, 11.415208, "Meta"} -> {{33136, 1, 23396}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=61.34, overall=30.67, Lipid ID=, \
KEGG ID= ]", ""}}, {397.3034, 11.419818, "Meta"} -> 
    {{41540, 1, 1}, {"", ""}}, {518.121, 11.434154, "Meta"} -> 
    {{21820, 1, 15465}, {"", ""}}, {336.157, 11.451531, "Meta"} -> 
    {{113311, 70051, 60110}, {"", ""}}, {246.1829, 11.451807, "Meta"} -> 
    {{139759, 1, 64027}, {"", ""}}, {241.2038, 11.455589, "Meta"} -> 
    {{51592, 62867, 56787}, {"", ""}}, {478.2178, 11.45214, "Meta"} -> 
    {{37777, 32940, 27634}, {"Formestane-4-O-glucuronide [ C25 H34 O9, \
db=82.02, overall=41.01, KEGG ID=, CAS ID=102848-54-4 ]", "102848-54-4"}}, 
   {210.1249, 11.457354, "Meta"} -> {{74748, 57214, 58192}, 
     {"Jasmonic acid [ C12 H18 O3, db=81.52, overall=40.76, Lipid \
ID=LMFA02020001, KEGG ID= ]", ""}}, {342.2878, 11.461249, "Meta"} -> 
    {{21264, 18487, 21507}, {"", ""}}, {367.1506, 11.475408, "Meta"} -> 
    {{42891, 37261, 33061}, 
     {"Asp His Pro [ C15 H21 N5 O6, db=71.89, overall=35.95 ]", ""}}, 
   {285.1362, 11.475694, "Meta"} -> {{517580, 435368, 451156}, 
     {"Morphine [ C17 H19 N O3, db=98.62, overall=49.31, KEGG ID=C01516, CAS \
ID=57-27-2 ]", "57-27-2"}}, {528.1969, 11.478286, "Meta"} -> 
    {{35333, 23791, 24565}, {"", ""}}, {460.2096, 11.476846, "Meta"} -> 
    {{21123, 16542, 18370}, 
     {"Trp Gln Gln [ C21 H28 N6 O6, db=60.46, overall=30.23 ]", ""}}, 
   {311.2457, 11.484715, "Meta"} -> {{327526, 300555, 243694}, {"", ""}}, 
   {347.2489, 11.499638, "Meta"} -> {{66923, 43350, 43344}, {"", ""}}, 
   {356.2318, 11.490559, "Meta"} -> {{24134, 18456, 14048}, 
     {"Estradiol valerate [ C23 H32 O3, db=40.90, overall=20.45, Lipid \
ID=LMST02010039, KEGG ID=C12859 ]", ""}}, {344.1596, 11.518447, "Meta"} -> 
    {{177240, 162576, 1}, {"16-Hydroxy-4-carboxyretinoic acid [ C20 H24 O5, \
db=62.38, overall=31.19, KEGG ID=, CAS ID=99665-36-8 ]", "99665-36-8"}}, 
   {414.204, 11.526778, "Meta"} -> {{1, 51195, 1}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=76.96, overall=38.48 ]", ""}}, 
   {413.2931, 11.527801, "Meta"} -> {{61344, 52044, 61100}, {"", ""}}, 
   {449.3137, 11.528334, "Meta"} -> {{138676, 114604, 117959}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=91.01, overall=45.51, HMP \
ID=HMDB00708, KEGG ID= ]", ""}}, {431.3032, 11.527909, "Meta"} -> 
    {{138623, 129862, 139299}, {"", ""}}, {250.1557, 11.546168, "Meta"} -> 
    {{34824, 29377, 29532}, {"Gemfibrozil [ C15 H22 O3, db=55.73, \
overall=27.87, KEGG ID=, CAS ID=25812-30-0 ]", "25812-30-0"}}, 
   {632.2483, 11.548585, "Meta"} -> {{901165, 1102221, 1185333}, {"", ""}}, 
   {441.3298, 11.567675, "Meta"} -> {{47257, 44068, 56431}, {"", ""}}, 
   {424.3029, 11.567376, "Meta"} -> {{87185, 76586, 1}, 
     {"2alpha-Fluoro-19-nor-22-oxa-1alpha,25-dihydroxyvitamin D3 [ C25 H41 F \
O4, db=58.90, overall=29.45, Lipid ID=LMST03020616, KEGG ID= ]", ""}}, 
   {488.2383, 11.5761385, "Meta"} -> {{35398, 28529, 27006}, {"", ""}}, 
   {329.2389, 11.608471, "Meta"} -> {{1107352, 865837, 801901}, {"", ""}}, 
   {280.165, 11.619699, "Meta"} -> {{71601, 62705, 1}, {"", ""}}, 
   {386.1862, 11.624001, "Meta"} -> {{42166, 25305, 1}, {"", ""}}, 
   {386.2455, 11.630222, "Meta"} -> {{124405, 99210, 90416}, 
     {"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid [ C24 H34 O4, \
db=85.79, overall=42.90, Lipid ID=, KEGG ID= ]", ""}}, 
   {598.2424, 11.630831, "Meta"} -> {{53095, 48539, 73359}, {"", ""}}, 
   {735.4978, 11.632807, "Meta"} -> {{32649, 1, 29667}, 
     {"Dipalmitoylphosphatidylserine [ C38 H74 N O10 P, db=54.29, \
overall=27.15, HMP ID=HMDB00614, KEGG ID= ]", ""}}, 
   {370.3555, 11.634998, "Meta"} -> {{44291, 51642, 48892}, {"", ""}}, 
   {468.2595, 11.6322565, "Meta"} -> {{33993, 30161, 1}, {"", ""}}, 
   {740.4531, 11.631467, "Meta"} -> {{36397, 31811, 30961}, {"", ""}}, 
   {477.1897, 11.660638, "Meta"} -> {{112583, 99377, 454842}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=85.23, overall=42.62, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {582.2477, 11.661, "Meta"} -> 
    {{42388, 48212, 26889}, {"Biliverdin IX [ C33 H34 N4 O6, db=87.31, \
overall=43.66, HMP ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", 
      " 114-25-0"}}, {354.2379, 11.661621, "Meta"} -> 
    {{24348, 25309, 1}, {"13,14-dihydro-15-keto-PGF2alpha [ C20 H34 O5, \
db=42.26, overall=21.13, Lipid ID=LMFA03010027, KEGG ID= ]", ""}}, 
   {520.2644, 11.689971, "Meta"} -> {{43507, 34483, 32522}, 
     {"Medroxyprogesterone glucuronide [ C28 H40 O9, db=48.42, overall=24.21, \
KEGG ID=, CAS ID= ]", ""}}, {485.356, 11.693, "Meta"} -> 
    {{51246, 44452, 51618}, {"", ""}}, {240.1703, 11.670438, "Meta"} -> 
    {{92443, 79970, 1}, {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ \
C14 H24 O3, db=65.39, overall=32.69, Lipid ID=, KEGG ID= ]", ""}}, 
   {439.2696, 11.698639, "Meta"} -> {{54071, 1, 19771}, 
     {"GPA(17:1(9Z)/0:0) [ C20 H42 N O7 P, db=58.14, overall=29.07, Lipid \
ID=LMGP10050002, KEGG ID= ]", ""}}, {414.2039, 11.722752, "Meta"} -> 
    {{49653, 117961, 114465}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=70.02, overall=35.01 ]", ""}}, 
   {522.2801, 11.738907, "Meta"} -> {{35778, 34465, 36063}, {"", ""}}, 
   {262.1541, 11.742794, "Meta"} -> {{37029, 33521, 28987}, {"", ""}}, 
   {272.2133, 11.744, "Meta"} -> {{61027, 44840, 33360}, {"", ""}}, 
   {588.2251, 11.747442, "Meta"} -> {{24390, 31374, 26930}, {"", ""}}, 
   {528.1907, 11.747131, "Meta"} -> {{16044, 17826, 17015}, {"", ""}}, 
   {371.3033, 11.768027, "Meta"} -> {{175909, 51012, 68276}, {"", ""}}, 
   {590.3101, 11.752577, "Meta"} -> {{102347, 133068, 71106}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=61.46, overall=30.73, HMP \
ID=HMDB04158, KEGG ID= ]", ""}}, {417.1435, 11.795814, "Meta"} -> 
    {{22791, 19211, 13158}, {"Mefenamic acid Metabolite (b-D-Glucopyranuronic \
acid, 1-[2-[(2,3-dimethylphenyl)amino]benzoate]) [ C21 H23 N O8, db=50.07, \
overall=25.03, KEGG ID=, CAS ID=102623-18-7 ]", "102623-18-7"}}, 
   {282.1151, 11.797542, "Meta"} -> {{82745, 80086, 58293}, {"", ""}}, 
   {342.145, 11.797485, "Meta"} -> {{67619, 55707, 56731}, {"", ""}}, 
   {184.146, 11.798257, "Meta"} -> {{251648, 219395, 210055}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=82.08, overall=41.04, Lipid ID=, \
KEGG ID= ]", ""}}, {373.2647, 11.811193, "Meta"} -> 
    {{44876, 42816, 52181}, {"", ""}}, {299.2823, 11.815419, "Meta"} -> 
    {{83531, 21899, 23301}, {"3-Dehydrosphinganine [ C18 H37 N O2, db=94.66, \
overall=47.33, KEGG ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {251.2249, 11.800002, "Meta"} -> {{116880, 94473, 102348}, {"", ""}}, 
   {534.3375, 11.806134, "Meta"} -> {{1, 38567, 31533}, {"", ""}}, 
   {465.3086, 11.805584, "Meta"} -> {{670532, 582645, 573074}, 
     {"Cholylglycine [ C26 H43 N O6, db=97.59, overall=48.80, KEGG ID=, CAS \
ID=475-31-0 ]", "475-31-0"}}, {429.2878, 11.80568, "Meta"} -> 
    {{21279, 1, 1}, {"", ""}}, {529.3823, 11.806334, "Meta"} -> 
    {{48222, 1, 1}, {"", ""}}, {518.2228, 11.805154, "Meta"} -> 
    {{17241, 14189, 13046}, {"26,26,26,27,27,27-hexafluoro-1alpha,25-dihydrox\
y-16,17,23,23,24,24-hexadehydrovitamin D3 / 26,26,26, [ C27 H32 F6 O3, \
db=61.57, overall=30.78, Lipid ID=LMST03020078, KEGG ID= ]", ""}}, 
   {585.3523, 11.805889, "Meta"} -> {{14091, 14830, 15648}, {"", ""}}, 
   {521.2284, 11.805668, "Meta"} -> {{18139, 1, 1}, {"", ""}}, 
   {414.204, 11.809854, "Meta"} -> {{118112, 107351, 114193}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=78.79, overall=39.40 ]", ""}}, 
   {431.2309, 11.812069, "Meta"} -> {{44902, 31492, 36745}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=56.36, overall=28.18 ]", ""}}, 
   {218.1664, 11.82626, "Meta"} -> {{28719, 1, 26175}, 
     {"6,8,10,12-pentadecatetraenal [ C15 H22 O, db=57.54, overall=28.77, \
Lipid ID=, KEGG ID= ]", ""}}, {270.1153, 11.829969, "Meta"} -> 
    {{67751, 60885, 64510}, {"chloroprocaine [ C13 H19 Cl N2 O2, db=55.52, \
overall=27.76, KEGG ID=, CAS ID= ]", ""}}, {330.1401, 11.829573, "Meta"} -> 
    {{78388, 71278, 68931}, {"Desmethyl methotrimeprazine 5-sulfoxide [ C18 \
H22 N2 O2 S, db=85.40, overall=42.70, KEGG ID=, CAS ID=16808-77-8 ]", 
      "16808-77-8"}}, {172.146, 11.8296385, "Meta"} -> 
    {{216084, 188355, 109378}, {"3-methyl-nonanoic acid [ C10 H20 O2, \
db=89.90, overall=44.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {186.1616, 11.829715, "Meta"} -> {{99403, 91786, 92284}, 
     {"Undecylic acid [ C11 H22 O2, db=83.39, overall=41.70, KEGG ID=, CAS \
ID= ]", ""}}, {431.3031, 11.831061, "Meta"} -> {{121280, 100454, 100521}, 
     {"", ""}}, {471.2956, 11.832395, "Meta"} -> {{64706, 68983, 65658}, 
     {"", ""}}, {308.1988, 11.834726, "Meta"} -> {{69822, 37454, 26740}, 
     {"", ""}}, {355.2544, 11.8503895, "Meta"} -> {{335786, 251012, 234878}, 
     {"", ""}}, {346.1188, 11.835636, "Meta"} -> {{32276, 33284, 27706}, 
     {"Nifedipine [ C17 H18 N2 O6, db=50.63, overall=25.31, KEGG ID=C07266, \
CAS ID=21829-25-4 ]", "21829-25-4"}}, {276.1724, 11.846942, "Meta"} -> 
    {{104578, 83776, 105292}, {"cyclandelate [ C17 H24 O3, db=63.51, \
overall=31.75, KEGG ID=, CAS ID=456-59-7 ]", "456-59-7"}}, 
   {369.197, 11.842227, "Meta"} -> {{38213, 35462, 30450}, {"", ""}}, 
   {588.2903, 11.855272, "Meta"} -> {{26614, 17548, 22151}, {"", ""}}, 
   {330.1805, 11.858284, "Meta"} -> {{247595, 177745, 195518}, 
     {"16-Hydroxy-4-oxoretinoic acid [ C20 H26 O4, db=78.37, overall=39.19, \
KEGG ID=, CAS ID=107257-23-8 ]", "107257-23-8"}}, 
   {252.1358, 11.86086, "Meta"} -> {{56522, 28035, 32692}, {"", ""}}, 
   {290.1884, 11.862444, "Meta"} -> {{159892, 58957, 102999}, 
     {"8-hydroxy-17-octadecene-9,11-diynoic acid [ C18 H26 O3, db=62.31, \
overall=31.16, Lipid ID=, KEGG ID= ]", ""}}, {351.2187, 11.864862, "Meta"} -> 
    {{115369, 74132, 123688}, {"", ""}}, {592.3258, 11.793964, "Meta"} -> 
    {{98378, 1, 62523}, {"", ""}}, {309.2302, 11.861514, "Meta"} -> 
    {{128317, 495653, 496850}, {"", ""}}, {447.2981, 11.879917, "Meta"} -> 
    {{669585, 578739, 590554}, {"", ""}}, {511.3273, 11.884157, "Meta"} -> 
    {{226104, 44327, 102276}, {"", ""}}, {280.1649, 11.8923235, "Meta"} -> 
    {{70818, 81029, 70016}, {"", ""}}, {705.4871, 11.893938, "Meta"} -> 
    {{45097, 35639, 40123}, {"", ""}}, {291.2176, 11.896868, "Meta"} -> 
    {{230171, 193949, 229659}, {"Penbutolol [ C18 H29 N O2, db=57.95, \
overall=28.98, KEGG ID=C07416, CAS ID=38363-40-5 ]", "38363-40-5"}}, 
   {688.4606, 11.89371, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {267.2197, 11.913969, "Meta"} -> {{677559, 640585, 599270}, {"", ""}}, 
   {394.2926, 11.915362, "Meta"} -> {{144897, 150495, 157954}, {"", ""}}, 
   {251.2248, 11.917944, "Meta"} -> {{247601, 241693, 230277}, {"", ""}}, 
   {411.3194, 11.915528, "Meta"} -> {{88031, 70706, 84224}, {"", ""}}, 
   {256.219, 11.924389, "Meta"} -> {{77845, 62020, 71042}, {"", ""}}, 
   {610.2709, 11.924807, "Meta"} -> {{25427, 22371, 22777}, {"", ""}}, 
   {534.281, 11.92525, "Meta"} -> {{77111, 67010, 67226}, {"", ""}}, 
   {451.3145, 11.934751, "Meta"} -> {{28817, 26309, 34282}, {"", ""}}, 
   {224.1408, 11.931854, "Meta"} -> {{127829, 121063, 109502}, 
     {"Methyl jasmonate [ C13 H20 O3, db=49.28, overall=24.64, KEGG \
ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {456.2698, 11.934423, "Meta"} -> {{45366, 1, 42914}, {"", ""}}, 
   {572.3308, 11.924665, "Meta"} -> {{15406, 14449, 16094}, {"", ""}}, 
   {428.2149, 11.942999, "Meta"} -> {{30597, 31488, 29646}, {"", ""}}, 
   {315.2772, 11.940305, "Meta"} -> {{1728399, 1617262, 1504955}, {"", ""}}, 
   {413.2462, 11.94091, "Meta"} -> {{71035, 83382, 71827}, {"", ""}}, 
   {297.2667, 11.941416, "Meta"} -> {{127794, 123609, 109686}, 
     {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ C18 H35 N O2, db=86.94, \
overall=43.47, KEGG ID=, CAS ID= ]", ""}}, {341.2728, 11.941767, "Meta"} -> 
    {{21838, 21111, 23081}, {"", ""}}, {314.0917, 11.9444475, "Meta"} -> 
    {{91681, 162262, 1}, {"", ""}}, {261.1217, 11.955101, "Meta"} -> 
    {{143334, 73957, 127514}, {"", ""}}, {379.2542, 11.973425, "Meta"} -> 
    {{50463, 40586, 31415}, {"", ""}}, {594.3415, 11.96689, "Meta"} -> 
    {{397001, 324764, 332650}, {"L-Urobilin [ C33 H46 N4 O6, db=74.87, \
overall=37.44, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {255.2196, 11.968827, "Meta"} -> {{55398, 52036, 56825}, {"", ""}}, 
   {414.2043, 11.974148, "Meta"} -> {{13265, 56426, 109402}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=62.51, overall=31.26 ]", ""}}, 
   {312.2301, 11.973156, "Meta"} -> {{125368, 116036, 138700}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=65.73, \
overall=32.86, Lipid ID=, KEGG ID= ]", ""}}, {328.2254, 11.979709, "Meta"} -> 
    {{1, 33882, 50874}, {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 \
H32 O5, db=55.40, overall=27.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {196.1461, 11.97807, "Meta"} -> {{38087, 16849, 30429}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=60.16, overall=30.08, Lipid ID=, \
KEGG ID= ]", ""}}, {754.4684, 11.973702, "Meta"} -> 
    {{46734, 42297, 39556}, {"", ""}}, {749.5135, 11.97703, "Meta"} -> 
    {{1, 1, 33478}, {"", ""}}, {324.1915, 11.994925, "Meta"} -> 
    {{31742, 18956, 34885}, {"12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrien\
oic acid [ C18 H28 O5, db=57.41, overall=28.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {309.23, 11.97869, "Meta"} -> {{513048, 1, 98647}, {"", ""}}, 
   {301.1142, 11.992531, "Meta"} -> {{119956, 68616, 109434}, {"", ""}}, 
   {331.2543, 12.023166, "Meta"} -> {{514801, 194678, 242886}, {"", ""}}, 
   {455.3454, 12.01464, "Meta"} -> {{106202, 79612, 102352}, {"", ""}}, 
   {438.3189, 12.015082, "Meta"} -> {{170672, 153539, 142870}, {"", ""}}, 
   {358.2328, 12.025667, "Meta"} -> {{80358, 1, 56912}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=96.96, overall=48.48 ]", ""}}, 
   {311.152, 12.032904, "Meta"} -> {{35139, 1, 1}, {"", ""}}, 
   {353.2775, 12.026425, "Meta"} -> {{74063, 1.31*^7, 1}, {"", ""}}, 
   {385.3189, 12.040938, "Meta"} -> {{106680, 37215, 51218}, {"", ""}}, 
   {397.3187, 12.041324, "Meta"} -> {{189801, 1, 73361}, {"", ""}}, 
   {798.4948, 12.054034, "Meta"} -> {{36423, 33512, 36301}, {"", ""}}, 
   {793.5397, 12.054131, "Meta"} -> {{34072, 1, 29275}, {"", ""}}, 
   {590.3062, 12.072692, "Meta"} -> {{22172, 19656, 20730}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=57.10, overall=28.55, HMP \
ID=HMDB04158, KEGG ID= ]", ""}}, {326.0038, 12.075236, "Meta"} -> 
    {{128325, 57348, 2382718}, {"", ""}}, {236.1403, 12.083773, "Meta"} -> 
    {{80117, 56017, 62831}, {"", ""}}, {252.1866, 12.082345, "Meta"} -> 
    {{51204, 33174, 48413}, {"", ""}}, {586.209, 12.083833, "Meta"} -> 
    {{138267, 166557, 163206}, {"", ""}}, {350.155, 12.082278, "Meta"} -> 
    {{76196, 64606, 67968}, {"", ""}}, {526.1727, 12.085113, "Meta"} -> 
    {{142959, 136839, 137702}, {"", ""}}, {466.1347, 12.082086, "Meta"} -> 
    {{132822, 101804, 100699}, {"", ""}}, {270.1981, 12.084306, "Meta"} -> 
    {{344357, 234854, 242499}, {"", ""}}, {412.1294, 12.085416, "Meta"} -> 
    {{124332, 108008, 110942}, {"", ""}}, {368.1654, 12.082582, "Meta"} -> 
    {{100225, 88548, 89544}, {"Testosterone sulfate [ C19 H28 O5 S, db=92.27, \
overall=46.13, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {498.1664, 12.083362, "Meta"} -> {{44094, 36566, 37986}, {"", ""}}, 
   {616.2339, 12.084806, "Meta"} -> {{89697, 67594, 77576}, {"", ""}}, 
   {243.2196, 12.102666, "Meta"} -> {{92479, 43961, 65494}, 
     {"2-amino-tetradecanoic acid [ C14 H29 N O2, db=84.12, overall=42.06, \
Lipid ID=, KEGG ID= ]", ""}}, {482.3452, 12.104295, "Meta"} -> 
    {{157065, 1, 147996}, {"", ""}}, {234.1617, 12.111666, "Meta"} -> 
    {{85972, 53093, 33693}, {"", ""}}, {248.1769, 12.122094, "Meta"} -> 
    {{68276, 1, 1}, {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, \
db=79.54, overall=39.77, Lipid ID=, KEGG ID= ]", ""}}, 
   {291.2195, 12.120156, "Meta"} -> {{116950, 91978, 73158}, 
     {"Penbutolol [ C18 H29 N O2, db=68.40, overall=34.20, KEGG ID=C07416, \
CAS ID=38363-40-5 ]", "38363-40-5"}}, {837.5658, 12.128968, "Meta"} -> 
    {{27986, 1, 24258}, {"", ""}}, {342.1837, 12.136654, "Meta"} -> 
    {{1, 1, 1}, {"Acitretin Ro 23-4750 [ C21 H26 O4, db=77.85, overall=38.93, \
KEGG ID=, CAS ID=121785-73-7 ]", "121785-73-7"}}, 
   {264.1359, 12.146778, "Meta"} -> {{597537, 521016, 532889}, {"", ""}}, 
   {222.1252, 12.146971, "Meta"} -> {{77543, 76040, 71502}, 
     {"Hydroxyibuprofen [ C13 H18 O3, db=74.22, overall=37.11, KEGG ID=, CAS \
ID=51146-55-5 ]", "51146-55-5"}}, {296.1624, 12.147417, "Meta"} -> 
    {{140884, 91518, 114149}, {"Lactone of PGF-MUM [ C16 H24 O5, db=79.76, \
overall=39.88, KEGG ID=, CAS ID= ]", ""}}, {282.1466, 12.147778, "Meta"} -> 
    {{954890, 833617, 850418}, {"Artemisinin [ C15 H22 O5, db=99.12, \
overall=49.56, KEGG ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {341.2723, 12.151607, "Meta"} -> {{29168, 1, 20236}, {"", ""}}, 
   {380.1164, 12.147638, "Meta"} -> {{44692, 37946, 37027}, 
     {"Cys Gln Met [ C13 H24 N4 O5 S2, db=68.35, overall=34.18 ]", ""}}, 
   {306.1804, 12.177001, "Meta"} -> {{1, 1, 1}, {"Tetranor Iloprost [ C18 H26 \
O4, db=63.70, overall=31.85, KEGG ID=, CAS ID=93220-69-0 ]", "93220-69-0"}}, 
   {402.1937, 12.148144, "Meta"} -> {{55704, 14937, 60448}, 
     {"Pro Trp Thr [ C20 H26 N4 O5, db=72.34, overall=36.17 ]", ""}}, 
   {297.2667, 12.156, "Meta"} -> {{66199, 76062, 61091}, 
     {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ C18 H35 N O2, db=77.59, \
overall=38.79, KEGG ID=, CAS ID= ]", ""}}, {315.2772, 12.155445, "Meta"} -> 
    {{1204427, 1167138, 1126308}, {"", ""}}, {413.2455, 12.157277, "Meta"} -> 
    {{57612, 72028, 111767}, {"", ""}}, {313.2615, 12.160829, "Meta"} -> 
    {{294082, 93004, 95159}, {"", ""}}, {311.1518, 12.180069, "Meta"} -> 
    {{1, 14405, 1}, {"", ""}}, {299.9847, 12.185141, "Meta"} -> 
    {{3610567, 1616253, 1167819}, {"", ""}}, 
   {318.1804, 12.2324295, "Meta"} -> {{37812, 58666, 65004}, 
     {"Ubiquinone (Q2) [ C19 H26 O4, db=42.47, overall=21.23, KEGG ID=, CAS \
ID=606-06-4 ]", "606-06-4"}}, {606.2023, 12.187666, "Meta"} -> 
    {{86676, 72838, 72444}, {"", ""}}, {462.2252, 12.1875, "Meta"} -> 
    {{342742, 286773, 307726}, {"Hydrocortisone succinate [ C25 H34 O8, \
db=96.63, overall=48.31, Lipid ID=LMST02030126, KEGG ID=C12888 ]", ""}}, 
   {525.2572, 12.187778, "Meta"} -> {{175113, 145087, 153699}, {"", ""}}, 
   {568.2631, 12.187808, "Meta"} -> {{41027, 44669, 43443}, {"", ""}}, 
   {621.1704, 12.188378, "Meta"} -> {{24746, 22888, 17011}, {"", ""}}, 
   {530.2126, 12.187939, "Meta"} -> {{402936, 1, 323064}, 
     {"Trp Tyr Tyr [ C29 H30 N4 O6, db=72.13, overall=36.06 ]", ""}}, 
   {377.2329, 12.190221, "Meta"} -> {{234145, 182713, 150181}, 
     {"Val Leu Phe [ C20 H31 N3 O4, db=88.80, overall=44.40 ]", ""}}, 
   {628.2743, 12.1870985, "Meta"} -> {{16554, 18736, 19388}, {"", ""}}, 
   {420.2121, 12.200396, "Meta"} -> {{42577, 41572, 39487}, {"", ""}}, 
   {228.1723, 12.197486, "Meta"} -> {{56052, 73451, 62122}, 
     {"10-keto tridecanoic acid [ C13 H24 O3, db=61.20, overall=30.60, Lipid \
ID=LMFA01060042, KEGG ID= ]", ""}}, {372.191, 12.199401, "Meta"} -> 
    {{48525, 58005, 50495}, {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=56.89, \
overall=28.44, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {357.2698, 12.228862, "Meta"} -> {{686993, 350255, 299155}, {"", ""}}, 
   {199.1932, 12.220861, "Meta"} -> {{459945, 421645, 324794}, 
     {"dodecanamide [ C12 H25 N O, db=98.45, overall=49.22, Lipid ID=, KEGG \
ID= ]", ""}}, {259.2255, 12.222748, "Meta"} -> {{115653, 67312, 92364}, 
     {"", ""}}, {269.235, 12.2237425, "Meta"} -> {{83966, 1, 70551}, 
     {"", ""}}, {719.5028, 12.228621, "Meta"} -> {{1, 25320, 1}, {"", ""}}, 
   {664.2384, 12.227905, "Meta"} -> {{53476, 89043, 109474}, {"", ""}}, 
   {248.1768, 12.233333, "Meta"} -> {{22512, 25243, 26373}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=72.21, \
overall=36.10, Lipid ID=, KEGG ID= ]", ""}}, {284.1987, 12.237692, "Meta"} -> 
    {{103912, 114879, 97462}, {"", ""}}, {262.1929, 12.242998, "Meta"} -> 
    {{792348, 653444, 665170}, {"5,8-heptadecadiynoic acid [ C17 H26 O2, \
db=98.55, overall=49.28, Lipid ID=, KEGG ID= ]", ""}}, 
   {533.3115, 12.239881, "Meta"} -> {{83745, 24316, 19517}, {"", ""}}, 
   {302.1855, 12.243556, "Meta"} -> {{691195, 609604, 579959}, 
     {"2-Methoxyestradiol [ C19 H26 O3, db=76.71, overall=38.36, HMP \
ID=HMDB00405, KEGG ID= ]", ""}}, {436.1856, 12.235857, "Meta"} -> 
    {{50931, 13729, 35104}, {"", ""}}, {596.3558, 12.249497, "Meta"} -> 
    {{29636, 25362, 24000}, {"", ""}}, {242.188, 12.252134, "Meta"} -> 
    {{77785, 1, 76394}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
db=63.43, overall=31.71, Lipid ID=, KEGG ID= ]", ""}}, 
   {614.3666, 12.251577, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {512.1788, 12.245139, "Meta"} -> {{29034, 22349, 22358}, 
     {"10S,11R-epoxy-punaglandin 3 [ C25 H33 Cl O9, db=53.22, overall=26.61, \
Lipid ID=LMFA03120039, KEGG ID= ]", ""}}, {376.1882, 12.266801, "Meta"} -> 
    {{138954, 118978, 113845}, 
     {"Arg Val Cys [ C14 H28 N6 O4 S, db=75.82, overall=37.91 ]", ""}}, 
   {580.2321, 12.270332, "Meta"} -> {{255969, 195593, 246610}, {"", ""}}, 
   {630.2687, 12.26936, "Meta"} -> {{170536, 116600, 181289}, {"", ""}}, 
   {612.2583, 12.2699175, "Meta"} -> {{108831, 123008, 139057}, {"", ""}}, 
   {672.2793, 12.270498, "Meta"} -> {{88290, 90452, 117018}, {"", ""}}, 
   {658.2637, 12.2717495, "Meta"} -> {{40476, 32052, 43711}, {"", ""}}, 
   {644.2843, 12.27025, "Meta"} -> {{290945, 262286, 330874}, {"", ""}}, 
   {298.2154, 12.269302, "Meta"} -> {{48653, 30784, 28893}, 
     {"8E-Heptadecenedioic acid [ C17 H30 O4, db=61.18, overall=30.59, Lipid \
ID=, KEGG ID= ]", ""}}, {336.1262, 12.278805, "Meta"} -> 
    {{50942, 37468, 44592}, {"", ""}}, {238.1567, 12.281195, "Meta"} -> 
    {{725443, 601289, 547737}, {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 \
H22 O3, db=97.15, overall=48.57, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {423.3348, 12.288555, "Meta"} -> {{623876, 141467, 189863}, {"", ""}}, 
   {311.2457, 12.286498, "Meta"} -> {{570651, 464416, 393982}, {"", ""}}, 
   {374.2429, 12.298686, "Meta"} -> {{69295, 71502, 60554}, 
     {"Digitoxigenin [ C23 H34 O4, db=53.68, overall=26.84, KEGG ID=, CAS \
ID=143-62-4 ]", "143-62-4"}}, {477.1899, 12.302515, "Meta"} -> 
    {{33288, 57235, 146445}, {"3,5-Pyridinedicarboxylic acid, \
2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino] [ C26 \
H27 N3 O6, db=59.31, overall=29.66, KEGG ID=, CAS ID=59875-58-0 ]", 
      "59875-58-0"}}, {768.4842, 12.295834, "Meta"} -> 
    {{40625, 34628, 37872}, {"", ""}}, {369.2874, 12.299877, "Meta"} -> 
    {{1, 26003, 1}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, db=64.19, \
overall=32.09, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {763.5288, 12.296454, "Meta"} -> {{32742, 29078, 28699}, {"", ""}}, 
   {314.1884, 12.299144, "Meta"} -> {{63558, 84492, 63579}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=70.86, overall=35.43, KEGG ID=, \
CAS ID=38030-57-8 ]", "38030-57-8"}}, {271.2523, 12.302779, "Meta"} -> 
    {{26649, 104566, 93362}, {"2R-aminohexadecanoic acid [ C16 H33 N O2, \
db=52.07, overall=26.04, Lipid ID=, KEGG ID= ]", ""}}, 
   {625.346, 12.299999, "Meta"} -> {{218521, 310504, 306624}, 
     {"Glycochenodeoxycholic acid 3-glucuronide [ C32 H51 N O11, db=99.35, \
overall=49.68, HMP ID=HMDB02579, KEGG ID= ]", ""}}, 
   {342.1463, 12.310115, "Meta"} -> {{262376, 1, 30069}, {"", ""}}, 
   {663.2926, 12.299033, "Meta"} -> {{39531, 26821, 31977}, {"", ""}}, 
   {372.2661, 12.3107815, "Meta"} -> {{1, 31519, 23542}, 
     {"(22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid [ C24 H36 O3, db=66.95, \
overall=33.48, Lipid ID=, KEGG ID= ]", ""}}, {329.2566, 12.319615, "Meta"} -> 
    {{19602, 1, 14911}, {"", ""}}, {265.2404, 12.332487, "Meta"} -> 
    {{72165, 77008, 1}, {"", ""}}, {305.2328, 12.322701, "Meta"} -> 
    {{39179, 49057, 38073}, {"", ""}}, {230.1879, 12.337853, "Meta"} -> 
    {{1, 1, 1}, {"4-hydroxy-tridecanoic acid [ C13 H26 O3, db=63.86, \
overall=31.93, Lipid ID=, KEGG ID= ]", ""}}, {631.4503, 12.339085, "Meta"} -> 
    {{67306, 1, 67901}, {"", ""}}, {312.1359, 12.347117, "Meta"} -> 
    {{68079, 80168, 48943}, {"", ""}}, {388.2607, 12.350721, "Meta"} -> 
    {{67963, 40845, 30221}, {"7,12-Dioxo-5beta-cholan-24-oic Acid [ C24 H36 \
O4, db=77.22, overall=38.61, Lipid ID=, KEGG ID= ]", ""}}, 
   {328.2249, 12.339256, "Meta"} -> {{257660, 110515, 60701}, 
     {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 H32 O5, db=76.40, \
overall=38.20, Lipid ID=, KEGG ID= ]", ""}}, {425.3361, 12.35692, "Meta"} -> 
    {{103335, 89338, 94205}, {"", ""}}, {408.3088, 12.36271, "Meta"} -> 
    {{143108, 133154, 142534}, {"", ""}}, {281.2354, 12.3655615, "Meta"} -> 
    {{192979, 198617, 212814}, {"", ""}}, {360.1656, 12.382274, "Meta"} -> 
    {{71824, 40004, 55667}, 
     {"Leu Asn Asp [ C14 H24 N4 O7, db=77.19, overall=38.60 ]", ""}}, 
   {338.2439, 12.380382, "Meta"} -> {{84689, 69474, 72058}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=74.85, overall=37.42, KEGG ID=, \
CAS ID= ]", ""}}, {436.1472, 12.383839, "Meta"} -> 
    {{57477, 37505, 43860}, {"", ""}}, {376.1198, 12.386286, "Meta"} -> 
    {{69114, 43620, 44802}, 
     {"Asp Asn Glu [ C13 H20 N4 O9, db=55.52, overall=27.76 ]", ""}}, 
   {278.1519, 12.387778, "Meta"} -> {{4803570, 3173452, 3613454}, {"", ""}}, 
   {148.0158, 12.3895, "Meta"} -> {{492102, 325874, 387109}, {"", ""}}, 
   {204.0784, 12.3909445, "Meta"} -> {{292646, 203346, 230007}, {"", ""}}, 
   {396.2873, 12.403235, "Meta"} -> {{163659, 1, 144692}, 
     {"PGF2alpha isopropyl ester [ C23 H40 O5, db=87.08, overall=43.54, Lipid \
ID=LMFA03010076, KEGG ID= ]", ""}}, {276.17, 12.37928, "Meta"} -> 
    {{1, 1, 1}, {"cyclandelate [ C17 H24 O3, db=51.06, overall=25.53, KEGG \
ID=, CAS ID=456-59-7 ]", "456-59-7"}}, {607.326, 12.407581, "Meta"} -> 
    {{41076, 49343, 45209}, {"", ""}}, {675.4764, 12.4054, "Meta"} -> 
    {{56360, 42734, 53935}, {"", ""}}, {487.2618, 12.410424, "Meta"} -> 
    {{103301, 86744, 78629}, {"", ""}}, {562.256, 12.410714, "Meta"} -> 
    {{48030, 30020, 34542}, {"Protoporphyrin [ C34 H34 N4 O4, db=79.79, \
overall=39.90, KEGG ID=C01079, CAS ID=553-12-8 ]", "553-12-8"}}, 
   {547.2891, 12.410121, "Meta"} -> {{97544, 111807, 104394}, {"", ""}}, 
   {449.3139, 12.410828, "Meta"} -> {{2531542, 2169225, 2275835}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=99.45, overall=49.73, HMP \
ID=HMDB00708, KEGG ID= ]", ""}}, {505.2336, 12.410571, "Meta"} -> 
    {{49879, 39556, 46936}, {"", ""}}, {431.3035, 12.411553, "Meta"} -> 
    {{1235919, 1051533, 1055182}, {"", ""}}, {413.2934, 12.41158, "Meta"} -> 
    {{451459, 382550, 361203}, {"", ""}}, {491.3008, 12.412041, "Meta"} -> 
    {{137148, 27253, 36587}, {"", ""}}, {1312.7719, 12.4140005, "Meta"} -> 
    {{21990, 20141, 23601}, {"", ""}}, {851.5811, 12.417131, "Meta"} -> 
    {{29670, 1, 1}, {"C20-OHSulfatide [ C44 H85 N O12 S, db=89.76, \
overall=44.88, Lipid ID=LMSP06020005, KEGG ID= ]", ""}}, 
   {467.301, 12.424151, "Meta"} -> {{1076506, 179419, 245584}, 
     {"Myristoyl L-a-lysophosphatidylcholine [ C22 H46 N O7 P, db=96.32, \
overall=48.16, KEGG ID=, CAS ID=20559-16-4 ]", "20559-16-4"}}, 
   {469.361, 12.42775, "Meta"} -> {{166694, 140045, 165257}, {"", ""}}, 
   {452.3344, 12.426857, "Meta"} -> {{259665, 275449, 272739}, {"", ""}}, 
   {505.2485, 12.426792, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {863.4587, 12.424135, "Meta"} -> {{32211, 30723, 25654}, {"", ""}}, 
   {614.2372, 12.435374, "Meta"} -> {{34606, 33462, 23625}, {"", ""}}, 
   {324.0821, 12.4366255, "Meta"} -> {{231583, 108769, 956778}, {"", ""}}, 
   {274.2141, 12.443, "Meta"} -> {{581690, 82422, 144539}, 
     {"2,15-dihydroxy-pentadecylic acid [ C15 H30 O4, db=98.78, \
overall=49.39, Lipid ID=LMFA01050082, KEGG ID= ]", ""}}, 
   {256.2038, 12.44312, "Meta"} -> {{37591, 1, 1}, {"11-keto pentadecanoic \
acid [ C15 H28 O3, db=62.07, overall=31.03, Lipid ID=LMFA01060048, KEGG ID= \
]", ""}}, {352.171, 12.430658, "Meta"} -> {{47381, 40860, 46102}, {"", ""}}, 
   {370.1815, 12.436501, "Meta"} -> {{97925, 47002, 64709}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=68.09, \
overall=34.04, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {500.1792, 12.433194, "Meta"} -> {{38226, 28127, 26347}, 
     {"gamma-Hydroxyphenylbutazone glucuronide [ C25 H28 N2 O9, db=72.50, \
overall=36.25, KEGG ID=, CAS ID= ]", ""}}, {588.225, 12.436315, "Meta"} -> 
    {{70150, 84634, 77095}, {"", ""}}, {504.2695, 12.450472, "Meta"} -> 
    {{120693, 98705, 90877}, {"", ""}}, {528.189, 12.4353895, "Meta"} -> 
    {{64364, 62742, 60864}, {"", ""}}, {414.1453, 12.441296, "Meta"} -> 
    {{39155, 43064, 35591}, {"", ""}}, {270.2135, 12.456722, "Meta"} -> 
    {{651785, 501018, 429775}, {"", ""}}, {292.167, 12.460268, "Meta"} -> 
    {{208510, 147267, 169067}, {"", ""}}, {719.5026, 12.466721, "Meta"} -> 
    {{40913, 35110, 39438}, {"", ""}}, {399.3347, 12.47114, "Meta"} -> 
    {{1163287, 154670, 208186}, {"Palmitoylcarnitine [ C23 H45 N O4, \
db=99.77, overall=49.89, Lipid ID=LMFA07070004, KEGG ID=C02990 ]", ""}}, 
   {182.1666, 12.464886, "Meta"} -> {{33916, 22142, 20643}, 
     {"7E,9Z-dodecadien-1-ol [ C12 H22 O, db=80.52, overall=40.26, Lipid ID=, \
KEGG ID= ]", ""}}, {242.1878, 12.468251, "Meta"} -> 
    {{259612, 296783, 255669}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 \
O3, db=62.18, overall=31.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {895.6074, 12.470839, "Meta"} -> {{1, 1, 28563}, {"", ""}}, 
   {496.3607, 12.486807, "Meta"} -> {{106603, 230447, 262489}, {"", ""}}, 
   {513.3873, 12.487667, "Meta"} -> {{203879, 187538, 223919}, {"", ""}}, 
   {384.1933, 12.488749, "Meta"} -> {{96036, 1, 64434}, {"", ""}}, 
   {250.1204, 12.488947, "Meta"} -> {{49647, 26056, 40118}, 
     {"Ubiquinone [ C14 H18 O4, db=74.11, overall=37.06, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {409.3186, 12.504228, "Meta"} -> 
    {{29827, 27307, 33070}, {"", ""}}, {374.2808, 12.501667, "Meta"} -> 
    {{89213, 72539, 78251}, {"3beta-Hydroxychol-4-en-24-oic Acid [ C24 H38 \
O3, db=92.13, overall=46.07, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2756, 12.501445, "Meta"} -> {{130082, 123080, 127225}, {"", ""}}, 
   {356.2712, 12.505676, "Meta"} -> {{154712, 111840, 85380}, 
     {"4,8,12,15,19,21-tetracosahexaenoic acid [ C24 H36 O2, db=94.78, \
overall=47.39, Lipid ID=, KEGG ID= ]", ""}}, {546.153, 12.509251, "Meta"} -> 
    {{25760, 18954, 20240}, {"", ""}}, {331.2721, 12.510544, "Meta"} -> 
    {{30796, 26761, 25502}, {"", ""}}, {449.314, 12.51639, "Meta"} -> 
    {{7531717, 6488103, 6359847}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, \
db=99.24, overall=49.62, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {562.2545, 12.516361, "Meta"} -> {{88074, 1, 60123}, 
     {"Protoporphyrin [ C34 H34 N4 O4, db=70.11, overall=35.05, KEGG \
ID=C01079, CAS ID=553-12-8 ]", "553-12-8"}}, {505.2343, 12.514931, "Meta"} -> 
    {{76615, 50763, 61230}, {"", ""}}, {487.2613, 12.517092, "Meta"} -> 
    {{189493, 172035, 152517}, {"", ""}}, {942.5912, 12.517724, "Meta"} -> 
    {{59382, 63756, 64893}, {"", ""}}, {391.3102, 12.521373, "Meta"} -> 
    {{146155, 17845, 18207}, {"N,N-(2,2-dihydroxy-ethyl) arachidonoyl amine [ \
C24 H41 N O3, db=41.49, overall=20.74, Lipid ID=LMFA08020028, KEGG ID= ]", 
      ""}}, {768.484, 12.522172, "Meta"} -> {{29703, 26300, 22106}, 
     {"", ""}}, {547.2912, 12.518182, "Meta"} -> {{136435, 181148, 162954}, 
     {"", ""}}, {763.5285, 12.522705, "Meta"} -> {{30738, 1, 29634}, 
     {"", ""}}, {612.2584, 12.528093, "Meta"} -> {{87363, 34806, 1}, 
     {"", ""}}, {537.3427, 12.543621, "Meta"} -> {{48702, 36370, 55465}, 
     {"GPEtn(10:0/11:0)[U] [ C26 H52 N O8 P, db=59.82, overall=29.91, Lipid \
ID=LMGP02010053, KEGG ID= ]", ""}}, {425.2543, 12.535178, "Meta"} -> 
    {{25157, 1, 1}, {"GPEtn(14:0/0:0) [ C19 H40 N O7 P, db=66.09, \
overall=33.05, Lipid ID=LMGP02050003, KEGG ID= ]", ""}}, 
   {557.4136, 12.545144, "Meta"} -> {{227997, 216433, 248307}, {"", ""}}, 
   {355.2721, 12.554709, "Meta"} -> {{1, 129341, 1}, {"", ""}}, 
   {225.2089, 12.554222, "Meta"} -> {{905349, 663328, 577091}, {"", ""}}, 
   {650.3645, 12.549894, "Meta"} -> {{35170, 1, 41543}, 
     {"Digoxigenin bisdigitoxoside [ C35 H54 O11, db=73.18, overall=36.59, \
KEGG ID=, CAS ID=5297-05-2 ]", "5/2/97"}}, {580.2348, 12.5748005, "Meta"} -> 
    {{143443, 45183, 1}, {"", ""}}, {501.3662, 12.573688, "Meta"} -> 
    {{93483, 92472, 108082}, {"", ""}}, {434.2881, 12.585032, "Meta"} -> 
    {{1349904, 269920, 1}, {"(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavita\
min D3 3-oxide / (5Z)-(3S)-1alpha,25-dihydroxy-3-deo [ C26 H42 O3 S, \
db=73.08, overall=36.54, Lipid ID=LMST03020052, KEGG ID= ]", ""}}, 
   {467.3008, 12.5836935, "Meta"} -> {{1.03*^7, 1442483, 1929925}, 
     {"Myristoyl L-a-lysophosphatidylcholine [ C22 H46 N O7 P, db=97.87, \
overall=48.94, KEGG ID=, CAS ID=20559-16-4 ]", "20559-16-4"}}, 
   {505.2486, 12.583806, "Meta"} -> {{477387, 84832, 108152}, {"", ""}}, 
   {565.2755, 12.582859, "Meta"} -> {{346133, 71175, 102364}, 
     {" [ C32 H39 N O8, overall=43.39, mfg=86.78 ]", ""}}, 
   {451.3146, 12.585577, "Meta"} -> {{697746, 169330, 59369}, {"", ""}}, 
   {279.2563, 12.585971, "Meta"} -> {{1078328, 1082944, 1239678}, {"", ""}}, 
   {319.2485, 12.586908, "Meta"} -> {{939744, 864534, 870489}, 
     {"N-hydroxy arachidonoyl amine [ C20 H33 N O2, db=80.38, overall=40.19, \
Lipid ID=LMFA08020029, KEGG ID= ]", ""}}, {625.3125, 12.582887, "Meta"} -> 
    {{48437, 1, 22701}, {"", ""}}, {499.2697, 12.597638, "Meta"} -> 
    {{747170, 78087, 87711}, {"", ""}}, {584.4132, 12.599159, "Meta"} -> 
    {{307190, 272192, 1}, {"", ""}}, {601.4399, 12.599721, "Meta"} -> 
    {{221327, 201840, 250609}, {"", ""}}, {246.2193, 12.616779, "Meta"} -> 
    {{98454, 100571, 92829}, {"", ""}}, {367.4175, 12.6358, "Meta"} -> 
    {{16966, 19369, 17465}, {"", ""}}, {579.2638, 12.629876, "Meta"} -> 
    {{353009, 95374, 101307}, {"", ""}}, {541.3169, 12.629602, "Meta"} -> 
    {{3039364, 783917, 752483}, {"", ""}}, {639.2913, 12.632768, "Meta"} -> 
    {{122792, 13371, 38457}, 
     {" [ C33 H41 N3 O10, db=0.00, overall=27.22, mfg=54.45 ]", ""}}, 
   {425.3506, 12.640696, "Meta"} -> {{1316342, 174858, 260682}, {"", ""}}, 
   {185.1413, 12.638656, "Meta"} -> {{93808, 109696, 131640}, 
     {"N-methyl-Gabapentin [ C10 H19 N O2, db=81.22, overall=40.61, KEGG ID=, \
CAS ID=102937-74-6 ]", "102937-74-6"}}, {285.2666, 12.643584, "Meta"} -> 
    {{27489, 31731, 27380}, {"C17 Sphingosine [ C17 H35 N O2, db=57.52, \
overall=28.76, Lipid ID=LMSP01040002, KEGG ID= ]", ""}}, 
   {327.277, 12.625759, "Meta"} -> {{89612, 86217, 1}, {"", ""}}, 
   {821.5705, 12.638498, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {268.24, 12.642863, "Meta"} -> {{51330, 94921, 83950}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=79.16, overall=39.58, Lipid \
ID=LMFA01030060, KEGG ID= ]", ""}}, {545.3922, 12.643999, "Meta"} -> 
    {{77692, 78646, 90810}, {"", ""}}, {302.1891, 12.6535015, "Meta"} -> 
    {{24475, 39038, 1}, {"2-Methoxyestradiol [ C19 H26 O3, db=65.37, \
overall=32.69, HMP ID=HMDB00405, KEGG ID= ]", ""}}, 
   {650.4213, 12.651346, "Meta"} -> {{211951, 194537, 161427}, {"", ""}}, 
   {645.466, 12.651555, "Meta"} -> {{145509, 190137, 194109}, {"", ""}}, 
   {335.2434, 12.66379, "Meta"} -> {{581563, 661779, 543551}, {"", ""}}, 
   {256.2034, 12.661515, "Meta"} -> {{86737, 77801, 95880}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=61.28, overall=30.64, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {493.3169, 12.66411, "Meta"} -> 
    {{2340609, 404929, 520030}, {"", ""}}, {531.2641, 12.663871, "Meta"} -> 
    {{138647, 1, 37076}, {"", ""}}, {590.3068, 12.671346, "Meta"} -> 
    {{1, 28855, 30152}, {"D-Urobilinogen [ C33 H42 N4 O6, db=52.07, \
overall=26.03, HMP ID=HMDB04158, KEGG ID= ]", ""}}, 
   {396.1935, 12.680503, "Meta"} -> {{90334, 77107, 94244}, 
     {"Pregnenolone sulfate [ C21 H32 O5 S, db=36.59, overall=18.29, HMP \
ID=HMDB00774, KEGG ID= ]", ""}}, {632.5102, 12.680666, "Meta"} -> 
    {{93950, 90690, 1}, {"", ""}}, {865.5968, 12.684233, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {395.2349, 12.689027, "Meta"} -> 
    {{95440, 99071, 80965}, {"", ""}}, {379.2488, 12.687057, "Meta"} -> 
    {{929222, 682804, 530713}, {"Sphingosine-1-phosphate [ C18 H38 N O5 P, \
db=99.36, overall=49.68, KEGG ID=, CAS ID=26993-30-6 ]", "26993-30-6"}}, 
   {319.2487, 12.687944, "Meta"} -> {{2213046, 2076415, 1832823}, 
     {"N-hydroxy arachidonoyl amine [ C20 H33 N O2, db=82.57, overall=41.29, \
Lipid ID=LMFA08020029, KEGG ID= ]", ""}}, {279.2564, 12.689749, "Meta"} -> 
    {{2979398, 3630342, 3752615}, {"", ""}}, {342.3243, 12.690058, "Meta"} -> 
    {{103600, 87479, 213314}, {"", ""}}, {352.236, 12.696232, "Meta"} -> 
    {{245408, 229983, 194974}, {"", ""}}, {180.0781, 12.695332, "Meta"} -> 
    {{83874, 86684, 108921}, {"o-Methoxyhydrocinnamic acid [ C10 H12 O3, \
db=82.64, overall=41.32, KEGG ID=, CAS ID= ]", ""}}, 
   {314.1855, 12.695227, "Meta"} -> {{577269, 527618, 421199}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=73.03, overall=36.52, KEGG ID=, \
CAS ID=38030-57-8 ]", "38030-57-8"}}, {309.2304, 12.69561, "Meta"} -> 
    {{903473, 831297, 1191586}, {"", ""}}, {475.2699, 12.694333, "Meta"} -> 
    {{159418, 63294, 72746}, {"", ""}}, {236.1406, 12.695944, "Meta"} -> 
    {{60032, 47218, 62222}, {"", ""}}, {689.4924, 12.699888, "Meta"} -> 
    {{170833, 173571, 229159}, {"", ""}}, {672.4659, 12.699749, "Meta"} -> 
    {{221975, 200939, 151751}, {"", ""}}, {609.351, 12.6962595, "Meta"} -> 
    {{108210, 148679, 143683}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl [ C32 H51 N O10, \
db=94.76, overall=47.38, HMP ID=HMDB02474, KEGG ID= ]", ""}}, 
   {382.2147, 12.704666, "Meta"} -> {{13193, 15685, 1}, 
     {"3,12-Dioxochola-1,4,9(11)-trien-24-oic Acid [ C24 H30 O4, db=73.34, \
overall=36.67, Lipid ID=, KEGG ID= ]", ""}}, {589.4187, 12.706942, "Meta"} -> 
    {{56884, 65513, 72063}, {"", ""}}, {307.2718, 12.7117195, "Meta"} -> 
    {{20404, 23844, 32664}, {"", ""}}, {270.2192, 12.709618, "Meta"} -> 
    {{89531, 45833, 98369}, {"3-keto palmitic acid [ C16 H30 O3, db=85.03, \
overall=42.52, Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, 
   {537.217, 12.694345, "Meta"} -> {{66448, 24380, 21314}, {"", ""}}, 
   {499.2698, 12.711946, "Meta"} -> {{670322, 317029, 326223}, {"", ""}}, 
   {300.2299, 12.716436, "Meta"} -> {{158344, 50831, 67299}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=79.78, overall=39.89, \
Lipid ID=, KEGG ID= ]", ""}}, {630.4941, 12.715778, "Meta"} -> 
    {{38052, 53578, 94883}, {"", ""}}, {252.2085, 12.716553, "Meta"} -> 
    {{1, 16107, 18397}, {"2E,4E-hexadecadienoic acid [ C16 H28 O2, db=73.15, \
overall=36.57, Lipid ID=, KEGG ID= ]", ""}}, {914.5783, 12.727905, "Meta"} -> 
    {{35374, 29116, 1}, {"", ""}}, {280.2014, 12.73493, "Meta"} -> 
    {{37301, 51927, 56314}, 
     {"12S-HHTrE [ C17 H28 O3, db=42.31, overall=21.16, KEGG ID=, CAS ID= ]", 
      ""}}, {329.2928, 12.71444, "Meta"} -> {{534193, 952025, 922403}, 
     {"", ""}}, {355.2179, 12.744277, "Meta"} -> {{70989, 82223, 86059}, 
     {"p-Hydroxypropoxyphene [ C22 H29 N O3, db=63.66, overall=31.83, KEGG \
ID=, CAS ID=43117-32-4 ]", "43117-32-4"}}, {240.2085, 12.740068, "Meta"} -> 
    {{1, 67799, 54939}, {"2-pentadecenoic acid [ C15 H28 O2, db=72.07, \
overall=36.04, Lipid ID=, KEGG ID= ]", ""}}, {573.2378, 12.738915, "Meta"} -> 
    {{23115, 1, 1}, {"", ""}}, {874.5164, 12.745845, "Meta"} -> 
    {{99089, 61060, 78331}, {"Ivermectin B1a [ C48 H74 O14, db=21.59, \
overall=10.80, KEGG ID=C07970, CAS ID=71827-03-7 ]", "71827-03-7"}}, 
   {615.29, 12.742728, "Meta"} -> {{64306, 16023, 1}, {"", ""}}, 
   {393.2191, 12.747176, "Meta"} -> {{37008, 127865, 91783}, {"", ""}}, 
   {733.5184, 12.745, "Meta"} -> {{142889, 131211, 186160}, {"", ""}}, 
   {716.4917, 12.745065, "Meta"} -> {{175519, 153463, 122075}, {"", ""}}, 
   {517.3169, 12.746193, "Meta"} -> {{5199296, 1231821, 1300864}, 
     {"Linolenoyl lysolecithin [ C26 H48 N O7 P, db=99.00, overall=49.50, \
KEGG ID=, CAS ID=63163-01-9 ]", "63163-01-9"}}, 
   {555.2641, 12.744076, "Meta"} -> {{253219, 1, 1}, 
     {"Leucine Enkephalin [ C28 H37 N5 O7, db=46.08, overall=23.04, KEGG ID=, \
CAS ID=81678-16-2 ]", "81678-16-2"}}, {1096.581, 12.747542, "Meta"} -> 
    {{289020, 61593, 66086}, {"", ""}}, {1058.6335, 12.748626, "Meta"} -> 
    {{1416273, 43745, 71483}, {"", ""}}, {451.2698, 12.751194, "Meta"} -> 
    {{128338, 138931, 98953}, {"", ""}}, {1104.6042, 12.750401, "Meta"} -> 
    {{101653, 23742, 28993}, {"", ""}}, {594.238, 12.752146, "Meta"} -> 
    {{160011, 50413, 54531}, {"", ""}}, {1661.8961, 12.749751, "Meta"} -> 
    {{441336, 27569, 40230}, {"", ""}}, {295.2514, 12.752306, "Meta"} -> 
    {{7241573, 1.17*^7, 1.03*^7}, {"", ""}}, {646.5257, 12.745705, "Meta"} -> 
    {{30117, 38185, 39893}, {"", ""}}, {654.2522, 12.751028, "Meta"} -> 
    {{249174, 95908, 97216}, {"", ""}}, {541.3161, 12.752888, "Meta"} -> 
    {{4.82*^7, 7678294, 1.01*^7}, {"", ""}}, {597.2377, 12.750058, "Meta"} -> 
    {{263054, 91842, 96420}, {"", ""}}, {579.2647, 12.7531395, "Meta"} -> 
    {{1547379, 587135, 582508}, 
     {" [ C32 H39 N2 O8, db=0.00, overall=32.44, mfg=64.87 ]", ""}}, 
   {710.2763, 12.752368, "Meta"} -> {{89354, 18735, 24179}, {"", ""}}, 
   {639.2909, 12.752972, "Meta"} -> {{300696, 198351, 203453}, 
     {" [ C33 H41 N3 O10, db=0.00, overall=34.40, mfg=68.80 ]", ""}}, 
   {563.2865, 12.751833, "Meta"} -> {{123315, 1, 38522}, {"", ""}}, 
   {278.2243, 12.768029, "Meta"} -> {{173025, 195297, 234095}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=76.66, overall=38.33, Lipid \
ID=LMFA01030148, KEGG ID= ]", ""}}, {958.6044, 12.764857, "Meta"} -> 
    {{30755, 26424, 1}, {"", ""}}, {1613.8976, 12.766002, "Meta"} -> 
    {{230391, 1, 1}, {"", ""}}, {358.1711, 12.782434, "Meta"} -> 
    {{26243, 51525, 36075}, {"", ""}}, {298.1468, 12.782714, "Meta"} -> 
    {{38822, 58441, 44091}, {"", ""}}, {345.1374, 12.7813015, "Meta"} -> 
    {{18645, 25436, 16631}, {"", ""}}, {200.1773, 12.781779, "Meta"} -> 
    {{86435, 109513, 107831}, {"Lauric acid [ C12 H24 O2, db=93.72, \
overall=46.86, KEGG ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, 
   {214.1929, 12.781723, "Meta"} -> {{58966, 72946, 68226}, 
     {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, db=85.75, overall=42.87, \
KEGG ID=, CAS ID= ]", ""}}, {254.224, 12.784, "Meta"} -> 
    {{101881, 103748, 131584}, {"7-palmitoleic acid [ C16 H30 O2, db=89.68, \
overall=44.84, Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, 
   {1072.5817, 12.78529, "Meta"} -> {{778252, 1, 111037}, {"", ""}}, 
   {777.5449, 12.788111, "Meta"} -> {{105353, 98642, 81117}, {"", ""}}, 
   {294.2171, 12.80724, "Meta"} -> {{1, 129019, 122723}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=65.45, overall=32.73, \
Lipid ID=, KEGG ID= ]", ""}}, {986.6337, 12.798241, "Meta"} -> 
    {{1355038, 14047, 56405}, {"", ""}}, {483.3767, 12.801028, "Meta"} -> 
    {{113468, 117638, 156228}, {"", ""}}, {466.3504, 12.800827, "Meta"} -> 
    {{178737, 184865, 152941}, {"", ""}}, {515.2983, 12.801221, "Meta"} -> 
    {{4070778, 650925, 737483}, {"", ""}}, {272.1993, 12.802755, "Meta"} -> 
    {{144915, 348323, 1}, {"3-methyl-tetradecanedioic acid [ C15 H28 O4, \
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   {1002.6305, 12.8012295, "Meta"} -> {{31470, 1, 1}, {"", ""}}, 
   {1024.5826, 12.804735, "Meta"} -> {{544510, 51643, 50630}, {"", ""}}, 
   {591.2919, 12.809055, "Meta"} -> {{333207, 141472, 153933}, 
     {" [ C34 H41 N O8, db=0.00, overall=41.36, mfg=82.72 ]", ""}}, 
   {606.2508, 12.808973, "Meta"} -> {{185526, 41164, 50340}, {"", ""}}, 
   {493.3159, 12.811169, "Meta"} -> {{2.15*^7, 3796737, 4672798}, {"", ""}}, 
   {531.2643, 12.810324, "Meta"} -> {{1138943, 278930, 276952}, {"", ""}}, 
   {549.2373, 12.808871, "Meta"} -> {{144470, 28595, 30363}, {"", ""}}, 
   {454.3057, 12.813647, "Meta"} -> {{27920, 35946, 33900}, 
     {"26,26,26-trifluoro-25-hydroxyvitamin D3 / \
26,26,26-trifluoro-25-hydroxycholecalciferol [ C27 H41 F3 O2, db=85.90, \
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   {414.3129, 12.812971, "Meta"} -> {{44115, 60710, 63511}, 
     {"1alpha,25-dihydroxy-9,11-didehydrovitamin D_3 / \
1alpha,25-dihydroxy-9,11-didehydrocholecalciferol [ C27 H42 O3, db=82.66, \
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   {596.2634, 12.8228445, "Meta"} -> {{43678, 53506, 30893}, {"", ""}}, 
   {437.2892, 12.8172, "Meta"} -> {{38732, 40291, 32176}, {"", ""}}, 
   {682.4242, 12.824768, "Meta"} -> {{34945, 32763, 1}, {"", ""}}, 
   {398.2432, 12.822418, "Meta"} -> {{80238, 273114, 178809}, {"", ""}}, 
   {677.4712, 12.822635, "Meta"} -> {{29428, 28092, 38261}, {"", ""}}, 
   {256.2036, 12.822162, "Meta"} -> {{88738, 1, 1}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=61.54, overall=30.77, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {826.5262, 12.818275, "Meta"} -> 
    {{143390, 1, 1}, {"", ""}}, {280.2011, 12.8328, "Meta"} -> 
    {{36793, 1, 1}, 
     {"12S-HHTrE [ C17 H28 O3, db=40.55, overall=20.28, KEGG ID=, CAS ID= ]", 
      ""}}, {821.5706, 12.8296385, "Meta"} -> {{82571, 76453, 94367}, 
     {"", ""}}, {240.2083, 12.832307, "Meta"} -> {{35918, 1, 27491}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=72.97, overall=36.49, Lipid ID=, \
KEGG ID= ]", ""}}, {527.403, 12.835585, "Meta"} -> 
    {{210129, 195524, 264701}, {"", ""}}, {510.3765, 12.837113, "Meta"} -> 
    {{326254, 317499, 265522}, {"", ""}}, {901.4447, 12.842889, "Meta"} -> 
    {{28863, 1, 17738}, {"", ""}}, {338.2438, 12.854486, "Meta"} -> 
    {{43464, 57728, 43910}, {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=56.30, \
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    {{97171, 25818, 62100}, {"", ""}}, {588.2239, 12.856218, "Meta"} -> 
    {{22664, 51131, 40054}, {"", ""}}, {414.1448, 12.856258, "Meta"} -> 
    {{22582, 52716, 42391}, {"", ""}}, {472.187, 12.863851, "Meta"} -> 
    {{17772, 26179, 1}, 
     {"Trp His Met [ C22 H28 N6 O4 S, db=36.23, overall=18.12 ]", ""}}, 
   {865.5967, 12.867527, "Meta"} -> {{56662, 54222, 67735}, {"", ""}}, 
   {870.5522, 12.86621, "Meta"} -> {{65011, 1, 1}, {"", ""}}, 
   {515.2333, 12.872112, "Meta"} -> {{69944, 22334, 22293}, {"", ""}}, 
   {384.1824, 12.871333, "Meta"} -> {{59000, 77770, 120377}, {"", ""}}, 
   {554.4028, 12.871445, "Meta"} -> {{460828, 438648, 369454}, {"", ""}}, 
   {500.1787, 12.860778, "Meta"} -> {{34004, 43240, 32217}, 
     {"gamma-Hydroxyphenylbutazone glucuronide [ C25 H28 N2 O9, db=78.83, \
overall=39.41, KEGG ID=, CAS ID= ]", ""}}, {444.2075, 12.872678, "Meta"} -> 
    {{43478, 80569, 111358}, {"", ""}}, {477.2857, 12.872913, "Meta"} -> 
    {{1156481, 315193, 225396}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=70.03, overall=35.02 ]", ""}}, 
   {560.2004, 12.861138, "Meta"} -> {{17307, 30620, 24186}, {"", ""}}, 
   {571.4295, 12.871741, "Meta"} -> {{301796, 285498, 369939}, {"", ""}}, 
   {370.1814, 12.859806, "Meta"} -> {{91200, 151950, 151439}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=96.30, \
overall=48.15, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {468.1503, 12.861229, "Meta"} -> {{18045, 23373, 19285}, {"", ""}}, 
   {352.1708, 12.858888, "Meta"} -> {{23088, 37971, 39575}, {"", ""}}, 
   {286.2145, 12.873165, "Meta"} -> {{3076259, 3832856, 5650798}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=98.68, overall=49.34, HMP \
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    {{1053362, 1280062, 1980151}, {"9-lauroleic acid [ C12 H22 O2, db=98.26, \
overall=49.13, Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, 
   {346.2464, 12.87547, "Meta"} -> {{208039, 292590, 366150}, {"", ""}}, 
   {303.2406, 12.874667, "Meta"} -> {{961452, 1235304, 2212277}, {"", ""}}, 
   {110.1092, 12.874167, "Meta"} -> {{338513, 402449, 621826}, {"", ""}}, 
   {331.272, 12.874617, "Meta"} -> {{142443, 156469, 383564}, {"", ""}}, 
   {312.23, 12.861374, "Meta"} -> {{1, 143898, 129061}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=73.37, \
overall=36.68, Lipid ID=, KEGG ID= ]", ""}}, {360.2661, 12.891426, "Meta"} -> 
    {{93327, 62542, 102653}, {"1alpha,23-dihydroxy-24,25,26,27-tetranorvitami\
n D3 / 1alpha,23-dihydroxy-24,25,26,27-tetranorcholeca [ C23 H36 O3, \
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   {472.2434, 12.8901825, "Meta"} -> {{53124, 103470, 86279}, {"", ""}}, 
   {548.23, 12.8912735, "Meta"} -> {{15476, 33796, 27572}, {"", ""}}, 
   {342.2169, 12.894272, "Meta"} -> {{162370, 588397, 499790}, 
     {"Megestrol [ C22 H30 O3, db=77.08, overall=38.54, KEGG ID=C07120, CAS \
ID=3562-63-8 ]", "3562-63-8"}}, {256.2187, 12.893861, "Meta"} -> 
    {{45636, 85595, 92543}, {"", ""}}, {927.4605, 12.892209, "Meta"} -> 
    {{13035, 1, 1}, {"", ""}}, {911.496, 12.892471, "Meta"} -> 
    {{29895, 66432, 56162}, {"", ""}}, {539.2333, 12.903911, "Meta"} -> 
    {{153560, 44495, 40451}, {"", ""}}, {501.2855, 12.907584, "Meta"} -> 
    {{3582752, 620972, 509423}, {"Fexofenadine [ C32 H39 N O4, db=58.07, \
overall=29.03, KEGG ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {861.5497, 12.909751, "Meta"} -> {{91798, 60761, 63482}, {"", ""}}, 
   {519.3325, 12.914667, "Meta"} -> {{3.49*^7, 9648838, 1.28*^7}, 
     {"1-Linoleoylphosphatidylcholine [ C26 H50 N O7 P, db=99.74, \
overall=49.87, KEGG ID=, CAS ID=5655-12-9 ]", "12/9/55"}}, 
   {1012.6501, 12.914031, "Meta"} -> {{1, 40672, 40936}, {"", ""}}, 
   {635.2734, 12.919773, "Meta"} -> {{33516, 33147, 28133}, {"", ""}}, 
   {1076.6128, 12.916134, "Meta"} -> {{433389, 1, 136186}, {"", ""}}, 
   {557.2806, 12.91837, "Meta"} -> {{1044323, 555468, 572181}, {"", ""}}, 
   {541.3017, 12.946648, "Meta"} -> {{92155, 130993, 38457}, {"", ""}}, 
   {688.2915, 12.91703, "Meta"} -> {{86886, 1, 41953}, {"", ""}}, 
   {853.5446, 12.919279, "Meta"} -> {{61796, 84071, 84765}, {"", ""}}, 
   {632.2664, 12.917572, "Meta"} -> {{140891, 91391, 87406}, {"", ""}}, 
   {1091.581, 12.917712, "Meta"} -> {{106509, 1, 1}, {"", ""}}, 
   {183.0655, 12.927937, "Meta"} -> {{259674, 62465, 1}, {"", ""}}, 
   {1060.6475, 12.934857, "Meta"} -> {{3993609, 60445, 1}, {"", ""}}, 
   {1044.618, 12.990282, "Meta"} -> {{526415, 25920, 1}, {"", ""}}, 
   {2658.6086, 13.000936, "Meta"} -> {{267001, 482989, 473530}, {"", ""}}, 
   {239.0918, 12.93324, "Meta"} -> {{33012, 1, 18137}, {"", ""}}, 
   {1619.9443, 12.934193, "Meta"} -> {{142351, 38248, 48615}, {"", ""}}, 
   {1000.6499, 12.928946, "Meta"} -> {{1086741, 42961, 126066}, {"", ""}}, 
   {481.3173, 12.937497, "Meta"} -> {{3207971, 613286, 721650}, 
     {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=99.47, overall=49.74, Lipid \
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    {{361533, 147514, 141944}, {"", ""}}, {519.2655, 12.939625, "Meta"} -> 
    {{182754, 33849, 60490}, {"", ""}}, {617.3076, 12.924249, "Meta"} -> 
    {{180709, 203200, 175177}, {"", ""}}, {1661.919, 13.038292, "Meta"} -> 
    {{58619, 153037, 92925}, {"", ""}}, {659.482, 12.942501, "Meta"} -> 
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   {791.5607, 13.040998, "Meta"} -> {{186198, 305355, 285979}, 
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    {{628032, 897581, 857990}, 
     {" [ C32 H41 N2 O8, db=0.00, overall=32.80, mfg=65.61 ]", ""}}, 
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   {1148.6106, 13.078375, "Meta"} -> {{164973, 106557, 145947}, {"", ""}}, 
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   {413.1753, 13.097616, "Meta"} -> {{27217, 121749, 82556}, 
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   {428.1498, 13.105187, "Meta"} -> {{1, 140258, 114548}, {"", ""}}, 
   {884.5686, 13.102304, "Meta"} -> {{166756, 140502, 178421}, {"", ""}}, 
   {879.6129, 13.101585, "Meta"} -> {{162733, 226107, 191910}, 
     {"C22-OH Sulfatide [ C46 H89 N O12 S, db=91.18, overall=45.59, Lipid \
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    {{298248, 40988, 48473}, {"", ""}}, {1014.6646, 13.105733, "Meta"} -> 
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   {1547.9456, 13.121827, "Meta"} -> {{207427, 53810, 48016}, {"", ""}}, 
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   {507.3327, 13.120777, "Meta"} -> {{3269536, 2965355, 3529628}, {"", ""}}, 
   {923.6393, 13.128447, "Meta"} -> {{120491, 180185, 157378}, {"", ""}}, 
   {369.2878, 13.135938, "Meta"} -> {{29791, 57213, 48819}, 
     {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, db=66.03, overall=33.01, \
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    {{1.03*^7, 1325487, 1370533}, {"Linolenoyl lysolecithin [ C26 H48 N O7 P, \
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   {280.2016, 13.128001, "Meta"} -> {{15945, 46469, 43018}, 
     {"12S-HHTrE [ C17 H28 O3, db=67.26, overall=33.63, KEGG ID=, CAS ID= ]", 
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     {"", ""}}, {374.2433, 13.145103, "Meta"} -> {{39552, 50019, 66117}, 
     {"Digitoxigenin [ C23 H34 O4, db=51.93, overall=25.96, KEGG ID=, CAS \
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    {{41116, 203679, 191016}, {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 \
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   {967.665, 13.152544, "Meta"} -> {{88225, 125510, 111835}, {"", ""}}, 
   {859.5254, 13.156605, "Meta"} -> {{62778, 16830, 34409}, {"", ""}}, 
   {284.235, 13.1601715, "Meta"} -> {{91436, 38961, 57882}, 
     {"2-oxo-heptadecanoic acid [ C17 H32 O3, db=99.17, overall=49.59, Lipid \
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    {{59050, 81661, 58187}, {"", ""}}, {415.1816, 13.160233, "Meta"} -> 
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     {"Pro His Tyr [ C20 H25 N5 O5, db=56.87, overall=28.44 ]", ""}}, 
   {400.2138, 13.160443, "Meta"} -> {{78230, 28388, 53395}, 
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   {360.0762, 13.162133, "Meta"} -> {{28763, 46235, 71467}, {"", ""}}, 
   {418.1866, 13.1605, "Meta"} -> {{26173, 1, 15598}, 
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   {435.2755, 13.168929, "Meta"} -> {{29241, 1, 1}, {"", ""}}, 
   {362.278, 13.161973, "Meta"} -> {{48126, 38756, 59946}, {"", ""}}, 
   {460.2394, 13.160829, "Meta"} -> {{20843, 13159, 22894}, 
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   {658.292, 13.164111, "Meta"} -> {{39184, 35815, 31432}, {"", ""}}, 
   {210.198, 13.161266, "Meta"} -> {{20720, 1, 14791}, 
     {"9R-(2-cyclopentenyl)-1-nonanol [ C14 H26 O, db=83.48, overall=41.74, \
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   {585.4455, 13.17, "Meta"} -> {{149739, 256538, 209395}, {"", ""}}, 
   {396.2874, 13.171314, "Meta"} -> {{19417, 1, 170043}, 
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    {{136991, 217184, 144389}, {"", ""}}, {413.3138, 13.174972, "Meta"} -> 
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    {{13666, 15587, 12895}, {"", ""}}, {491.2329, 13.180776, "Meta"} -> 
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     {"Trp Met Arg [ C22 H33 N7 O4 S, db=87.08, overall=43.54 ]", ""}}, 
   {453.2857, 13.181751, "Meta"} -> {{2620336, 1285057, 1237107}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=99.55, overall=49.78, Lipid \
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    {{114718, 22952, 19848}, {"", ""}}, {629.4713, 13.1857195, "Meta"} -> 
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    {{53659, 193873, 87905}, {"", ""}}, {527.3017, 13.189112, "Meta"} -> 
    {{157655, 155583, 161980}, {"", ""}}, {986.5672, 13.191906, "Meta"} -> 
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    {{51456, 30482, 17944}, {"", ""}}, {1052.6062, 13.280134, "Meta"} -> 
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    {{369120, 498999, 600221}, {"1,2-dioleoyl-sn-Glycero-3-Phosphate [ C39 \
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   {503.3012, 13.232915, "Meta"} -> {{47617, 82524, 84864}, {"", ""}}, 
   {717.5241, 13.237333, "Meta"} -> {{305971, 647380, 542756}, 
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    {{125557, 140192, 131636}, {"", ""}}, {462.2955, 13.254001, "Meta"} -> 
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   {426.2963, 13.498375, "Meta"} -> {{1, 163250, 19911}, 
     {"GPCho(O-6:0/O-6:0) [ C20 H45 N O6 P, db=69.94, overall=34.97, Lipid \
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    {{589290, 661663, 671858}, {"", ""}}, {439.306, 13.489087, "Meta"} -> 
    {{394380, 289447, 1}, {"", ""}}, {758.539, 13.485962, "Meta"} -> 
    {{788771, 676519, 691417}, {"", ""}}, {368.1336, 13.48364, "Meta"} -> 
    {{23879, 47297, 46996}, {"", ""}}, {283.108, 13.4861145, "Meta"} -> 
    {{82136, 131814, 56581}, {"", ""}}, {648.2967, 13.495222, "Meta"} -> 
    {{14548, 25121, 1}, {"", ""}}, {819.592, 13.497973, "Meta"} -> 
    {{599953, 773748, 772242}, {"", ""}}, {802.5656, 13.49772, "Meta"} -> 
    {{819673, 732359, 762816}, {"1-heptadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetra\
enoyl)-sn-glycero-3-phospho-(1'-rac-glycerol) [ C43 H81 N O10 P, db=70.84, \
overall=35.42, KEGG ID=, CAS ID= ]", ""}}, {479.337, 13.495556, "Meta"} -> 
    {{1.03*^7, 6747764, 4369648}, {"", ""}}, 
   {1165.6327, 13.499093, "Meta"} -> {{189834, 66768, 31164}, {"", ""}}, 
   {1151.618, 13.505199, "Meta"} -> {{194911, 55351, 44397}, {"", ""}}, 
   {988.6857, 13.50629, "Meta"} -> {{436915, 43132, 28512}, {"", ""}}, 
   {339.2883, 13.506903, "Meta"} -> {{840840, 887716, 769038}, {"", ""}}, 
   {517.285, 13.498918, "Meta"} -> {{223602, 222487, 150187}, {"", ""}}, 
   {765.5234, 13.503918, "Meta"} -> {{126173, 135376, 179830}, {"", ""}}, 
   {1399.899, 13.508409, "Meta"} -> {{42455, 59632, 1}, {"", ""}}, 
   {1050.7004, 13.5051985, "Meta"} -> {{322885, 59085, 39892}, {"", ""}}, 
   {1026.6353, 13.507728, "Meta"} -> {{68621, 31725, 26205}, {"", ""}}, 
   {1092.7122, 13.491323, "Meta"} -> {{1305719, 52782, 50485}, {"", ""}}, 
   {477.1903, 13.515063, "Meta"} -> {{32450, 50491, 1}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=52.47, overall=26.23, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {279.2562, 13.510799, "Meta"} -> 
    {{5658929, 5203081, 4516354}, {"", ""}}, 
   {1123.622, 13.4977045, "Meta"} -> {{53277, 44217, 1}, {"", ""}}, 
   {598.2433, 13.509795, "Meta"} -> {{27447, 46318, 35090}, {"", ""}}, 
   {846.5917, 13.509481, "Meta"} -> {{140440, 1, 804116}, {"", ""}}, 
   {863.6182, 13.510503, "Meta"} -> {{713734, 797064, 805640}, 
     {"C22 Sulfatide [ C46 H89 N O11 S, db=87.95, overall=43.97, Lipid \
ID=LMSP06020009, KEGG ID= ]", ""}}, {885.5996, 13.517038, "Meta"} -> 
    {{75467, 89268, 95569}, {"", ""}}, {612.2584, 13.509334, "Meta"} -> 
    {{336926, 361147, 295601}, {"", ""}}, {580.2323, 13.509277, "Meta"} -> 
    {{441157, 574571, 460101}, {"", ""}}, {547.2957, 13.523854, "Meta"} -> 
    {{419706, 89925, 85864}, {"", ""}}, {644.2847, 13.51143, "Meta"} -> 
    {{795930, 867013, 706155}, {"", ""}}, {509.3475, 13.52603, "Meta"} -> 
    {{1.53*^7, 2526466, 2637783}, {"", ""}}, {658.2652, 13.513304, "Meta"} -> 
    {{64891, 72725, 51000}, {"", ""}}, {607.3208, 13.524964, "Meta"} -> 
    {{161887, 1, 38588}, {"", ""}}, {907.6449, 13.525166, "Meta"} -> 
    {{854226, 823790, 843377}, {"3-O-Sulfogalactosylceramide [ C48 H93 N O12 \
S, db=86.45, overall=43.23, HMP ID=HMDB00024, KEGG ID= ]", ""}}, 
   {890.6182, 13.524207, "Meta"} -> {{153079, 901382, 67224}, {"", ""}}, 
   {720.3006, 13.519515, "Meta"} -> {{20574, 36186, 28661}, {"", ""}}, 
   {672.2796, 13.517088, "Meta"} -> {{246608, 291035, 231398}, {"", ""}}, 
   {571.3639, 13.521864, "Meta"} -> {{8738537, 1907894, 1278033}, {"", ""}}, 
   {354.2171, 13.571854, "Meta"} -> {{52211, 36422, 33846}, 
     {"Levonorgestrel acetate [ C23 H30 O3, db=64.58, overall=32.29, KEGG \
ID=, CAS ID=13732-69-9 ]", "13732-69-9"}}, {814.5046, 13.536868, "Meta"} -> 
    {{1, 71887, 120037}, {"", ""}}, {809.5497, 13.531092, "Meta"} -> 
    {{97858, 97306, 141850}, {"", ""}}, {734.3164, 13.525888, "Meta"} -> 
    {{107577, 104289, 78856}, {"", ""}}, {299.2825, 13.542036, "Meta"} -> 
    {{88356, 99599, 1}, {"3-Dehydrosphinganine [ C18 H37 N O2, db=93.67, \
overall=46.83, KEGG ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {706.3211, 13.528087, "Meta"} -> {{57972, 41824, 50228}, {"", ""}}, 
   {1369.8884, 13.563042, "Meta"} -> {{151885, 27628, 29505}, {"", ""}}, 
   {934.6437, 13.537066, "Meta"} -> {{365492, 1, 56969}, {"", ""}}, 
   {951.6706, 13.535638, "Meta"} -> {{887292, 999890, 1029908}, {"", ""}}, 
   {395.3035, 13.538113, "Meta"} -> {{207530, 75607, 80738}, {"", ""}}, 
   {400.2588, 13.538917, "Meta"} -> {{569460, 211033, 234166}, 
     {"Ophiobolin A [ C25 H36 O4, db=54.29, overall=27.15, Lipid \
ID=LMPR01050002, KEGG ID=C09145 ]", ""}}, {452.2451, 13.542232, "Meta"} -> 
    {{210476, 57031, 70631}, {"Diphenoxylate [ C30 H32 N2 O2, db=83.13, \
overall=41.56, KEGG ID=C07872, CAS ID=915-30-0 ]", "915-30-0"}}, 
   {354.2765, 13.544889, "Meta"} -> {{5444110, 1519733, 1761147}, 
     {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 O4, db=86.35, \
overall=43.17, KEGG ID=, CAS ID= ]", ""}}, {491.2062, 13.533772, "Meta"} -> 
    {{58632, 96595, 59668}, 
     {"Tyr Phe Tyr [ C27 H29 N3 O6, db=57.52, overall=28.76 ]", ""}}, 
   {414.3093, 13.543919, "Meta"} -> {{410077, 121726, 193530}, {"", ""}}, 
   {371.3036, 13.545373, "Meta"} -> {{1477912, 418361, 492826}, {"", ""}}, 
   {1000.6522, 13.561621, "Meta"} -> {{114356, 839106, 107519}, {"", ""}}, 
   {995.6966, 13.547221, "Meta"} -> {{720510, 670457, 681766}, {"", ""}}, 
   {262.2296, 13.545572, "Meta"} -> {{412426, 121846, 170558}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=92.20, overall=46.10, Lipid \
ID=, KEGG ID= ]", ""}}, {396.2665, 13.645791, "Meta"} -> 
    {{50074, 1, 63563}, {"", ""}}, {508.8397, 13.549695, "Meta"} -> 
    {{135964, 195206, 205446}, {"", ""}}, {1022.6367, 13.552206, "Meta"} -> 
    {{98419, 176764, 200038}, {"", ""}}, {267.2559, 13.55222, "Meta"} -> 
    {{1007666, 832216, 696984}, {"", ""}}, {853.5758, 13.555092, "Meta"} -> 
    {{82118, 68820, 91791}, {"", ""}}, {501.2539, 13.558999, "Meta"} -> 
    {{21898, 43925, 23898}, {"", ""}}, {858.5316, 13.556654, "Meta"} -> 
    {{82750, 48913, 69176}, {"", ""}}, {1028.648, 13.573232, "Meta"} -> 
    {{140217, 36962, 19845}, {"", ""}}, {837.5203, 13.564915, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {519.8613, 13.559681, "Meta"} -> 
    {{946506, 952201, 990642}, {"", ""}}, {1056.7491, 13.56075, "Meta"} -> 
    {{96512, 205471, 1}, {"", ""}}, {530.8529, 13.562063, "Meta"} -> 
    {{148328, 221252, 244472}, {"", ""}}, {463.3064, 13.56053, "Meta"} -> 
    {{1226615, 1, 520183}, {"", ""}}, {334.1441, 13.569034, "Meta"} -> 
    {{31191, 71495, 63169}, 
     {"Arg Cys Gly [ C11 H22 N6 O4 S, db=50.72, overall=25.36 ]", ""}}, 
   {376.1987, 13.568419, "Meta"} -> {{40698, 112129, 128716}, 
     {"Glu Thr Lys [ C15 H28 N4 O7, db=67.35, overall=33.68 ]", ""}}, 
   {316.1717, 13.568858, "Meta"} -> {{24295, 52419, 54995}, 
     {"Ala Asn Leu [ C13 H24 N4 O5, db=54.09, overall=27.05 ]", ""}}, 
   {278.2244, 13.568999, "Meta"} -> {{253728, 539083, 504799}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=86.05, overall=43.02, Lipid \
ID=LMFA01030148, KEGG ID= ]", ""}}, {295.2523, 13.578938, "Meta"} -> 
    {{239100, 340821, 363441}, {"", ""}}, {1088.7043, 13.572557, "Meta"} -> 
    {{462654, 274605, 281450}, {"", ""}}, {1110.6956, 13.577559, "Meta"} -> 
    {{148016, 182626, 42964}, {"", ""}}, {960.6902, 13.570629, "Meta"} -> 
    {{162379, 27900, 1}, {"", ""}}, {902.5572, 13.5793, "Meta"} -> 
    {{1, 40738, 54231}, {"", ""}}, {897.6025, 13.580344, "Meta"} -> 
    {{77786, 50846, 69089}, {"", ""}}, {294.2172, 13.592863, "Meta"} -> 
    {{47371, 24138, 24670}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, \
db=68.48, overall=34.24, Lipid ID=, KEGG ID= ]", ""}}, 
   {466.3728, 13.589202, "Meta"} -> {{1, 73839, 56629}, {"", ""}}, 
   {519.3001, 13.581778, "Meta"} -> {{342684, 221920, 146705}, {"", ""}}, 
   {594.2896, 13.585677, "Meta"} -> {{69036, 46096, 29491}, 
     {" [ C33 H42 N2 O8, db=0.00, overall=30.00, mfg=60.00 ]", ""}}, 
   {1132.7306, 13.584446, "Meta"} -> {{337019, 259289, 271244}, {"", ""}}, 
   {481.3526, 13.5835, "Meta"} -> {{1.96*^7, 7525674, 4688545}, 
     {"1-O-Hexadecyl-2-lyso-glycero-3-phosphorylcholine [ C24 H52 N O6 P, \
db=95.41, overall=47.71, KEGG ID=, CAS ID=52691-62-0 ]", "52691-62-0"}}, 
   {579.3257, 13.584827, "Meta"} -> {{198539, 170646, 122899}, {"", ""}}, 
   {421.3402, 13.600849, "Meta"} -> {{217590, 49460, 68523}, {"", ""}}, 
   {364.2589, 13.5994625, "Meta"} -> {{119025, 1, 57059}, 
     {"11-deoxy-16,16-dimethyl-PGE2 [ C22 H36 O4, db=63.57, overall=31.78, \
KEGG ID=, CAS ID= ]", ""}}, {386.3031, 13.601744, "Meta"} -> 
    {{210316, 48724, 56792}, {"", ""}}, {1545.9933, 13.579229, "Meta"} -> 
    {{1, 46361, 47231}, {"", ""}}, {1176.7563, 13.596857, "Meta"} -> 
    {{289549, 229150, 190331}, {"", ""}}, {404.3139, 13.602781, "Meta"} -> 
    {{1093914, 24778, 257437}, {"", ""}}, {599.8735, 13.598457, "Meta"} -> 
    {{41688, 64266, 73465}, {"", ""}}, {946.5852, 13.60276, "Meta"} -> 
    {{41711, 33965, 39356}, {"", ""}}, {547.3639, 13.597056, "Meta"} -> 
    {{9892665, 1432526, 1384697}, {"", ""}}, {941.6301, 13.598959, "Meta"} -> 
    {{86808, 48295, 56821}, {"", ""}}, {585.3108, 13.596875, "Meta"} -> 
    {{351788, 70158, 68591}, {"", ""}}, {358.2483, 13.611223, "Meta"} -> 
    {{59862, 1, 65289}, {"", ""}}, {312.2663, 13.609001, "Meta"} -> 
    {{788843, 147159, 196160}, {"18-oxo-nonadecanoic acid [ C19 H36 O3, \
db=91.98, overall=45.99, Lipid ID=, KEGG ID= ]", ""}}, 
   {1215.8278, 13.60837, "Meta"} -> {{474969, 520198, 557598}, {"", ""}}, 
   {1220.7823, 13.607741, "Meta"} -> {{201593, 153352, 1}, {"", ""}}, 
   {1232.8549, 13.610902, "Meta"} -> {{143675, 203883, 228814}, {"", ""}}, 
   {451.3062, 13.630885, "Meta"} -> {{75721, 90288, 40529}, {"", ""}}, 
   {773.5247, 13.616361, "Meta"} -> {{1, 35306, 24789}, {"", ""}}, 
   {1264.8105, 13.619029, "Meta"} -> {{208697, 261959, 99677}, {"", ""}}, 
   {993.6999, 13.622969, "Meta"} -> {{60217, 1, 21907}, {"", ""}}, 
   {629.9261, 13.618459, "Meta"} -> {{301072, 180610, 183320}, {"", ""}}, 
   {271.2509, 13.618684, "Meta"} -> {{44933, 71038, 74564}, 
     {"2R-aminohexadecanoic acid [ C16 H33 N O2, db=94.88, overall=47.44, \
Lipid ID=, KEGG ID= ]", ""}}, {367.1602, 13.626543, "Meta"} -> 
    {{31025, 45137, 37574}, {"prasterone sulfate [ C19 H27 O5 S, db=49.48, \
overall=24.74, KEGG ID=, CAS ID=78590-17-7 ]", "78590-17-7"}}, 
   {1276.8809, 13.6216545, "Meta"} -> {{146358, 197408, 205090}, {"", ""}}, 
   {254.2244, 13.625055, "Meta"} -> {{343825, 512640, 493174}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=96.21, overall=48.11, Lipid \
ID=LMFA01030055, KEGG ID= ]", ""}}, {356.2328, 13.633856, "Meta"} -> 
    {{138894, 49361, 59784}, {"Estradiol valerate [ C23 H32 O3, db=47.05, \
overall=23.52, Lipid ID=LMST02010039, KEGG ID=C12859 ]", ""}}, 
   {370.17, 13.628917, "Meta"} -> {{20739, 1, 1}, {"", ""}}, 
   {352.1935, 13.626401, "Meta"} -> {{91919, 1, 1}, {"", ""}}, 
   {308.235, 13.627833, "Meta"} -> {{4331171, 2623032, 2658535}, 
     {"methyl 9,10-epoxy-12,15-octadecadienoate [ C19 H32 O3, db=72.91, \
overall=36.45, Lipid ID=, KEGG ID= ]", ""}}, {236.2138, 13.625389, "Meta"} -> 
    {{71748, 40668, 60897}, {"6,11-hexadecadienal [ C16 H28 O, db=62.84, \
overall=31.42, Lipid ID=, KEGG ID= ]", ""}}, {512.3476, 13.627999, "Meta"} -> 
    {{75654, 150413, 161658}, {"ZK 159222 [ C32 H48 O5, db=76.77, \
overall=38.39, Lipid ID=LMST03020621, KEGG ID= ]", ""}}, 
   {325.2617, 13.630723, "Meta"} -> {{393229, 262205, 267162}, 
     {"50oxo-ETE-d7 [ C20 H23 D7 O3, db=54.79, overall=27.39, Lipid \
ID=LMFA03060083, KEGG ID= ]", ""}}, {472.3549, 13.629856, "Meta"} -> 
    {{30576, 66277, 57844}, {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehyd\
ro-23-oxavitamin D3 / 26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=78.46, \
overall=39.23, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {290.2243, 13.629774, "Meta"} -> {{221931, 125237, 134209}, 
     {"Androsterone [ C19 H30 O2, db=84.81, overall=42.40, KEGG ID=C00523, \
CAS ID=53-41-8 ]", "53-41-8"}}, {1303.8798, 13.632357, "Meta"} -> 
    {{256202, 121325, 328539}, {"", ""}}, {1308.8383, 13.623311, "Meta"} -> 
    {{25650, 62396, 190837}, {"", ""}}, {1320.9062, 13.631161, "Meta"} -> 
    {{113761, 173200, 178701}, {"", ""}}, {484.3163, 13.628167, "Meta"} -> 
    {{74457, 142077, 216901}, {"", ""}}, {589.3743, 13.630784, "Meta"} -> 
    {{421791, 1, 61116}, {"", ""}}, {1347.9061, 13.640295, "Meta"} -> 
    {{1, 285623, 281105}, {"", ""}}, {1364.9329, 13.639176, "Meta"} -> 
    {{96810, 141473, 151781}, {"", ""}}, {543.3015, 13.631483, "Meta"} -> 
    {{32668, 33627, 24984}, {"", ""}}, {268.2188, 13.641944, "Meta"} -> 
    {{674553, 314959, 238777}, {"", ""}}, {505.3532, 13.638071, "Meta"} -> 
    {{2086188, 1365652, 815332}, {"", ""}}, {1408.9576, 13.652612, "Meta"} -> 
    {{1, 106283, 118353}, {"", ""}}, {1418.8726, 13.652807, "Meta"} -> 
    {{74820, 83013, 90588}, {"", ""}}, {380.2538, 13.661728, "Meta"} -> 
    {{30517, 43159, 29047}, {"16,16-dimethyl-PGE2 [ C22 H36 O5, db=43.84, \
overall=21.92, Lipid ID=LMFA03010065, KEGG ID= ]", ""}}, 
   {277.2381, 13.661151, "Meta"} -> {{727638, 1, 837741}, {"", ""}}, 
   {456.3809, 13.659138, "Meta"} -> {{61779, 139414, 129311}, {"", ""}}, 
   {1452.9851, 13.655355, "Meta"} -> {{1, 90862, 102167}, {"", ""}}, 
   {1462.9037, 13.658624, "Meta"} -> {{1, 69087, 1}, {"", ""}}, 
   {1457.9413, 13.6546545, "Meta"} -> {{1, 132318, 1}, {"", ""}}, 
   {535.364, 13.656915, "Meta"} -> {{2023007, 234023, 211964}, {"", ""}}, 
   {315.2885, 13.664111, "Meta"} -> {{1169155, 1359801, 1187439}, {"", ""}}, 
   {255.2563, 13.666528, "Meta"} -> {{6011339, 4827790, 3138573}, {"", ""}}, 
   {1497.008, 13.670268, "Meta"} -> {{37726, 76310, 81132}, {"", ""}}, 
   {300.3139, 13.665778, "Meta"} -> {{65469, 64794, 65390}, {"", ""}}, 
   {750.9837, 13.667515, "Meta"} -> {{43664, 1, 60103}, {"", ""}}, 
   {1541.0359, 13.675578, "Meta"} -> {{37964, 51826, 54405}, {"", ""}}, 
   {561.3118, 13.6438, "Meta"} -> {{510935, 39274, 92776}, {"", ""}}, 
   {419.3251, 13.692777, "Meta"} -> {{439687, 409967, 361806}, {"", ""}}, 
   {585.5332, 13.689299, "Meta"} -> {{612919, 202306, 227259}, {"", ""}}, 
   {728.5284, 13.694607, "Meta"} -> {{1, 244725, 288658}, 
     {" 1-heptadecanoyl, \
2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate [ C40 H75 N O8 P, \
db=67.05, overall=33.53, KEGG ID=, CAS ID= ]", ""}}, 
   {657.5026, 13.693542, "Meta"} -> {{39861, 49042, 69412}, {"", ""}}, 
   {745.5551, 13.695362, "Meta"} -> {{203090, 233099, 257365}, 
     {"GPEtn(18:0/18:1(9Z))[U] [ C41 H80 N O8 P, db=60.81, overall=30.41, \
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    {{339235, 377779, 416637}, {"", ""}}, {988.6896, 13.703807, "Meta"} -> 
    {{128187, 44725, 33313}, {"", ""}}, {481.3164, 13.701916, "Meta"} -> 
    {{7697040, 1741118, 1404975}, {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, \
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   {833.6076, 13.703074, "Meta"} -> {{1, 490069, 533335}, {"", ""}}, 
   {742.5407, 13.7042, "Meta"} -> {{42055, 1, 23811}, {"", ""}}, 
   {312.2665, 13.707916, "Meta"} -> {{720474, 224186, 330343}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=99.80, overall=49.90, Lipid \
ID=, KEGG ID= ]", ""}}, {493.3533, 13.702571, "Meta"} -> 
    {{306495, 370056, 195402}, {"", ""}}, {758.5224, 13.708063, "Meta"} -> 
    {{137363, 51288, 80402}, {"", ""}}, {690.5228, 13.667901, "Meta"} -> 
    {{205415, 34333, 74052}, {"1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(7Z,1\
0Z,13Z,16Z-docosatetraenoyl)-sn-glycerol [ C45 H70 O5, db=79.54, \
overall=39.77, KEGG ID=, CAS ID= ]", ""}}, {722.5491, 13.705866, "Meta"} -> 
    {{20008, 1, 11139}, {"", ""}}, {330.2764, 13.70722, "Meta"} -> 
    {{2.27*^7, 6950214, 1.*^7}, {"1-hexadecanoyl-sn-glycerol [ C19 H38 O4, \
db=96.78, overall=48.39, KEGG ID=, CAS ID= ]", ""}}, 
   {1359.0566, 13.708065, "Meta"} -> {{167907, 11531, 30334}, {"", ""}}, 
   {698.5018, 13.707211, "Meta"} -> {{79931, 27360, 38067}, {"", ""}}, 
   {347.3029, 13.707416, "Meta"} -> {{2381174, 810437, 1199068}, {"", ""}}, 
   {1179.8202, 13.7051325, "Meta"} -> {{245645, 30026, 37195}, {"", ""}}, 
   {708.5384, 13.711206, "Meta"} -> {{57693, 31291, 48819}, {"", ""}}, 
   {446.2179, 13.704512, "Meta"} -> {{129654, 67837, 92198}, 
     {"Trp Glu Leu [ C22 H30 N4 O6, db=57.78, overall=28.89 ]", ""}}, 
   {428.2451, 13.707165, "Meta"} -> {{516274, 217371, 306530}, {"", ""}}, 
   {238.2293, 13.707944, "Meta"} -> {{190330, 60955, 85513}, 
     {"cis-11-Hexadecenal [ C16 H30 O, db=98.92, overall=49.46, KEGG ID=, CAS \
ID=53939-28-9 ]", "53939-28-9"}}, {443.2139, 13.701389, "Meta"} -> 
    {{167418, 70697, 80839}, {"", ""}}, {877.6339, 13.707833, "Meta"} -> 
    {{590413, 666241, 734862}, {"", ""}}, {390.3095, 13.707778, "Meta"} -> 
    {{656757, 304246, 417768}, {"", ""}}, {361.3191, 13.7076845, "Meta"} -> 
    {{64437, 39781, 47352}, {"", ""}}, {488.2747, 13.70686, "Meta"} -> 
    {{88239, 94983, 141261}, {"Hydrocortisone butyrate propionate [ C28 H40 \
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   {1205.8732, 13.708405, "Meta"} -> {{125180, 43266, 57205}, {"", ""}}, 
   {327.2883, 13.575701, "Meta"} -> {{184536, 247144, 208815}, {"", ""}}, 
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   {904.6328, 13.710101, "Meta"} -> {{884865, 220236, 840234}, {"", ""}}, 
   {860.6077, 13.708208, "Meta"} -> {{770946, 162494, 164054}, {"", ""}}, 
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   {938.6867, 13.711778, "Meta"} -> {{31866, 89946, 102626}, {"", ""}}, 
   {284.2349, 13.715, "Meta"} -> {{207883, 190628, 175202}, 
     {"2-oxo-heptadecanoic acid [ C17 H32 O3, db=75.45, overall=37.73, Lipid \
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    {{52374, 193591, 235419}, {"", ""}}, {335.3185, 13.717598, "Meta"} -> 
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    {{732244, 786702, 834247}, {"", ""}}, {982.7166, 13.718828, "Meta"} -> 
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     {"", ""}}, {992.6864, 13.722834, "Meta"} -> {{721483, 769704, 693428}, 
     {"", ""}}, {504.8561, 13.722639, "Meta"} -> {{33459, 76180, 73219}, 
     {"", ""}}, {1031.695, 13.723343, "Meta"} -> {{128412, 326411, 360621}, 
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   {1053.7383, 13.736089, "Meta"} -> {{927042, 1330787, 1364703}, {"", ""}}, 
   {338.2818, 13.758765, "Meta"} -> {{27674, 37506, 1}, {"", ""}}, 
   {1119.7476, 13.730624, "Meta"} -> {{167604, 509090, 1}, {"", ""}}, 
   {1114.7919, 13.734138, "Meta"} -> {{82297, 230431, 295139}, {"", ""}}, 
   {1102.7205, 13.739172, "Meta"} -> {{1, 545658, 542859}, {"", ""}}, 
   {1141.7909, 13.747208, "Meta"} -> {{427055, 1044780, 1124754}, {"", ""}}, 
   {1158.8184, 13.738751, "Meta"} -> {{80696, 299317, 370446}, {"", ""}}, 
   {1146.747, 13.749473, "Meta"} -> {{509845, 455815, 427954}, {"", ""}}, 
   {1202.8444, 13.744382, "Meta"} -> {{77656, 288901, 352443}, 
     {"Ganglioside GA2 (d18:1/26:1(17Z)) [ C64 H118 N2 O18, db=68.60, \
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   {1185.8173, 13.754801, "Meta"} -> {{573159, 965889, 1025637}, {"", ""}}, 
   {1190.7725, 13.755764, "Meta"} -> {{383544, 389547, 593460}, {"", ""}}, 
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   {1234.7983, 13.766872, "Meta"} -> {{301692, 273978, 273876}, {"", ""}}, 
   {639.3065, 13.762452, "Meta"} -> {{38763, 101240, 37003}, 
     {"Protorifamycin I [ C35 H45 N O10, db=55.35, overall=27.68, Lipid \
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    {{458717, 839883, 863147}, {"", ""}}, {636.3007, 13.76603, "Meta"} -> 
    {{217057, 158792, 1}, {"", ""}}, {1246.8712, 13.768721, "Meta"} -> 
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    {{223168, 106539, 80213}, 
     {" [ C33 H41 N O8, db=0.00, overall=31.75, mfg=63.50 ]", ""}}, 
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   {1273.8698, 13.773914, "Meta"} -> {{385462, 685829, 728466}, {"", ""}}, 
   {1030.7332, 13.746588, "Meta"} -> {{2206651, 350727, 219617}, {"", ""}}, 
   {576.2868, 13.770852, "Meta"} -> {{127096, 53697, 33829}, {"", ""}}, 
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   {1278.8254, 13.776278, "Meta"} -> {{238344, 179664, 427740}, {"", ""}}, 
   {561.3117, 13.775912, "Meta"} -> {{1862300, 970126, 777720}, {"", ""}}, 
   {1339.8785, 13.780607, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {567.3707, 13.7708, "Meta"} -> {{37369, 30834, 25954}, {"", ""}}, 
   {1322.8525, 13.784331, "Meta"} -> {{246879, 318191, 352385}, {"", ""}}, 
   {1334.9222, 13.792586, "Meta"} -> {{85114, 240926, 283289}, {"", ""}}, 
   {889.551, 13.800771, "Meta"} -> {{29713, 128842, 79002}, {"", ""}}, 
   {1099.6451, 13.763071, "Meta"} -> {{733592, 241001, 167320}, {"", ""}}, 
   {523.3653, 13.780612, "Meta"} -> {{1.31*^8, 4.43*^7, 3.9*^7}, 
     {"1-hexadecyl-2-acetyl-glycero-3-phosphocholine [ C26 H54 N O7 P, \
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   {865.5515, 13.794698, "Meta"} -> {{120994, 246121, 149633}, {"", ""}}, 
   {1058.2133, 13.77028, "Meta"} -> {{215639, 1, 1}, {"", ""}}, 
   {1608.04, 13.77903, "Meta"} -> {{1737483, 503346, 401841}, {"", ""}}, 
   {2637.7942, 13.772834, "Meta"} -> {{360092, 141592, 118862}, {"", ""}}, 
   {1046.7288, 13.771727, "Meta"} -> {{5.83*^7, 3960929, 1}, {"", ""}}, 
   {171.108, 13.797971, "Meta"} -> {{246557, 449321, 2598315}, {"", ""}}, 
   {1366.8785, 13.790698, "Meta"} -> {{165891, 115950, 85770}, {"", ""}}, 
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   {2131.4026, 13.776884, "Meta"} -> {{2064774, 408901, 315579}, {"", ""}}, 
   {321.2667, 13.802221, "Meta"} -> {{59522, 244840, 248105}, 
     {"Anandamide (18:3, n-6) [ C20 H35 N O2, db=98.53, overall=49.26, Lipid \
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    {{67493, 241964, 1}, {"", ""}}, {1410.9069, 13.799668, "Meta"} -> 
    {{66043, 102050, 101146}, {"", ""}}, {326.2219, 13.802333, "Meta"} -> 
    {{92795, 311849, 281992}, {"3a-OH Desogestrel [ C22 H30 O2, db=65.76, \
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   {495.3673, 13.825147, "Meta"} -> {{366362, 202037, 110799}, {"", ""}}, 
   {1405.9486, 13.799881, "Meta"} -> {{243132, 378467, 419521}, {"", ""}}, 
   {345.2666, 13.810092, "Meta"} -> {{1, 225057, 213233}, 
     {"Anandamide (20:5, n-3) [ C22 H35 N O2, db=85.48, overall=42.74, Lipid \
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    {{115963, 390598, 380704}, {"3,9,15-Docosatriynoic acid [ C22 H32 O2, \
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   {1422.9753, 13.803818, "Meta"} -> {{81132, 183985, 251413}, {"", ""}}, 
   {1330.8604, 13.71827, "Meta"} -> {{86611, 1, 18100}, {"", ""}}, 
   {1454.929, 13.805271, "Meta"} -> {{79681, 170716, 50744}, {"", ""}}, 
   {536.5281, 13.803085, "Meta"} -> {{18666, 93076, 83927}, {"", ""}}, 
   {587.4892, 13.8079605, "Meta"} -> {{27427, 20491, 11213}, {"", ""}}, 
   {1449.9736, 13.80397, "Meta"} -> {{183788, 281921, 309932}, {"", ""}}, 
   {341.3044, 13.817472, "Meta"} -> {{2521379, 4604733, 3882608}, {"", ""}}, 
   {354.3241, 13.811501, "Meta"} -> {{42088, 48740, 54964}, {"", ""}}, 
   {281.2712, 13.812444, "Meta"} -> {{3.13*^7, 4.81*^7, 3.58*^7}, 
     {"Oleamide [ C18 H35 N O, db=95.12, overall=47.56, KEGG ID=, CAS \
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    {{85284, 173222, 218124}, {"", ""}}, {312.3138, 13.81286, "Meta"} -> 
    {{95025, 138355, 108352}, {"", ""}}, {841.5513, 13.813585, "Meta"} -> 
    {{1, 369275, 1}, {"", ""}}, {401.3155, 13.8185835, "Meta"} -> 
    {{109852, 167914, 142858}, {"", ""}}, {326.3296, 13.8149185, "Meta"} -> 
    {{393845, 518111, 435499}, {"", ""}}, {856.5198, 13.818584, "Meta"} -> 
    {{1, 55900, 51669}, {"", ""}}, {1511.0262, 13.81507, "Meta"} -> 
    {{69711, 128226, 171706}, {"", ""}}, {376.2038, 13.804546, "Meta"} -> 
    {{180549, 306443, 2007325}, {"fluorometholone [ C22 H29 F O4, db=59.20, \
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   {887.643, 13.824824, "Meta"} -> {{148131, 21004, 32528}, {"", ""}}, 
   {262.2296, 13.822443, "Meta"} -> {{47859, 65847, 68416}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=86.48, overall=43.24, Lipid \
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    {{48282, 98744, 120781}, {"", ""}}, {1599.0771, 13.82784, "Meta"} -> 
    {{45826, 98700, 1}, {"", ""}}, {393.1754, 13.824646, "Meta"} -> 
    {{1, 61517, 1}, 
     {"Thr His His [ C16 H23 N7 O5, db=62.69, overall=31.35 ]", ""}}, 
   {280.2402, 13.821678, "Meta"} -> {{1, 1, 956342}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.73, overall=42.36, \
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    {{1, 1, 1}, {"", ""}}, {318.1871, 13.828527, "Meta"} -> 
    {{32165, 69710, 62775}, {"", ""}}, {336.1598, 13.82475, "Meta"} -> 
    {{91893, 155677, 146803}, {"", ""}}, {742.5544, 13.829965, "Meta"} -> 
    {{43420, 10602, 16366}, {"", ""}}, {264.2449, 13.830167, "Meta"} -> 
    {{172816, 101739, 90296}, {"9,12-octadecadienal [ C18 H32 O, db=93.91, \
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    {{49609, 33768, 43406}, {"", ""}}, {637.5649, 13.826834, "Meta"} -> 
    {{475626, 82100, 82305}, {"", ""}}, {1604.0345, 13.831274, "Meta"} -> 
    {{69140, 125117, 126234}, {"", ""}}, {917.6042, 13.830849, "Meta"} -> 
    {{253997, 46552, 52034}, {"", ""}}, {454.2603, 13.837749, "Meta"} -> 
    {{167461, 36833, 53683}, {"18-acetoxy-PGF2alpha-11-acetate [ C24 H38 O8, \
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   {1643.1019, 13.833906, "Meta"} -> {{31845, 60987, 95869}, {"", ""}}, 
   {356.2921, 13.832834, "Meta"} -> {{4717693, 1282379, 1395563}, 
     {"1-(11E-octadecenoyl)-rac-glycerol [ C21 H40 O4, db=98.15, \
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    {{194378, 60469, 79616}, {"", ""}}, {296.2716, 13.837235, "Meta"} -> 
    {{856681, 1050387, 1228644}, {"10-methylene-octadecanoic acid [ C19 H36 \
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   {595.554, 13.834362, "Meta"} -> {{340573, 344598, 326774}, {"", ""}}, 
   {331.3083, 13.839138, "Meta"} -> {{24384, 26500, 26756}, {"", ""}}, 
   {1648.0614, 13.838582, "Meta"} -> {{56656, 71473, 81361}, {"", ""}}, 
   {314.2819, 13.838939, "Meta"} -> {{664108, 975389, 1118065}, 
     {"2-hydroxy-nonadecanoic acid [ C19 H38 O3, db=79.99, overall=40.00, \
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    {{36019, 44221, 56222}, {"", ""}}, {550.5438, 13.840639, "Meta"} -> 
    {{281584, 175139, 99187}, {"", ""}}, {345.3232, 13.839605, "Meta"} -> 
    {{9379, 14602, 15440}, {"", ""}}, {351.3135, 13.836865, "Meta"} -> 
    {{13843, 23787, 1}, {"Anandamide (20:2, n-6) [ C22 H41 N O2, db=87.77, \
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   {589.5048, 13.843435, "Meta"} -> {{171058, 74000, 45918}, {"", ""}}, 
   {593.5384, 13.859751, "Meta"} -> {{68380, 25198, 24760}, {"", ""}}, 
   {486.3916, 13.846743, "Meta"} -> {{34434, 70913, 68174}, {"", ""}}, 
   {269.2717, 13.850058, "Meta"} -> {{527904, 375543, 386803}, {"", ""}}, 
   {958.5066, 13.858265, "Meta"} -> {{116267, 30338, 28377}, {"", ""}}, 
   {312.2662, 13.867914, "Meta"} -> {{553981, 804411, 383417}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=84.87, overall=42.44, Lipid \
ID=, KEGG ID= ]", ""}}, {376.1632, 13.867001, "Meta"} -> 
    {{53087, 65710, 121903}, {"", ""}}, {875.5037, 13.871608, "Meta"} -> 
    {{1, 58245, 1}, {"", ""}}, {807.4806, 13.867861, "Meta"} -> 
    {{1998772, 578122, 309139}, {"", ""}}, {268.2402, 13.870259, "Meta"} -> 
    {{1, 25596, 33369}, {"9-heptadecylenic acid [ C17 H32 O2, db=81.99, \
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   {360.1681, 13.864379, "Meta"} -> {{57221, 1, 53969}, 
     {"Leu Asn Asp [ C14 H24 N4 O7, db=34.15, overall=17.08 ]", ""}}, 
   {914.4793, 13.871298, "Meta"} -> {{48105, 33419, 23151}, {"", ""}}, 
   {418.1739, 13.870945, "Meta"} -> {{52590, 70973, 90818}, 
     {"Nimodipine [ C21 H26 N2 O7, db=61.54, overall=30.77, KEGG ID=C07267, \
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    {{1, 85347, 86317}, {"", ""}}, {1103.5966, 13.872333, "Meta"} -> 
    {{1, 544887, 193608}, {"", ""}}, {346.1531, 13.871804, "Meta"} -> 
    {{214744, 466036, 381347}, {"", ""}}, {390.1788, 13.869486, "Meta"} -> 
    {{264892, 365110, 324968}, 
     {"Asp Lys Glu [ C15 H26 N4 O8, db=62.57, overall=31.29 ]", ""}}, 
   {1153.6309, 13.874, "Meta"} -> {{339162, 66877, 94915}, {"", ""}}, 
   {328.1421, 13.873054, "Meta"} -> {{267056, 300004, 227124}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=67.54, overall=33.77 ]", ""}}, 
   {357.3227, 13.877501, "Meta"} -> {{30628, 24212, 43558}, {"", ""}}, 
   {294.0996, 13.875195, "Meta"} -> {{117455, 132186, 102710}, {"", ""}}, 
   {1135.623, 13.873161, "Meta"} -> {{284002, 87342, 69176}, {"", ""}}, 
   {239.1157, 13.8723, "Meta"} -> {{1, 32368, 28838}, {"", ""}}, 
   {1189.6305, 13.875001, "Meta"} -> {{460743, 1, 1}, {"", ""}}, 
   {420.1898, 13.874806, "Meta"} -> {{17029, 25425, 21732}, 
     {"Gln His His [ C17 H24 N8 O5, db=42.13, overall=21.06 ]", ""}}, 
   {670.265, 13.873167, "Meta"} -> {{42366, 1144844, 910329}, {"", ""}}, 
   {580.2324, 13.874638, "Meta"} -> {{4473212, 4220600, 3402010}, {"", ""}}, 
   {640.2526, 13.874076, "Meta"} -> {{127822, 1, 1}, {"", ""}}, 
   {612.2593, 13.875, "Meta"} -> {{3401856, 3515601, 2680887}, {"", ""}}, 
   {644.284, 13.875222, "Meta"} -> {{7466417, 7805753, 6465728}, {"", ""}}, 
   {1180.491, 13.877401, "Meta"} -> {{40227, 59161, 29059}, {"", ""}}, 
   {1254.532, 13.877502, "Meta"} -> {{1, 1, 113653}, {"", ""}}, 
   {864.3481, 13.876028, "Meta"} -> {{130215, 179418, 139933}, {"", ""}}, 
   {282.1003, 13.8762245, "Meta"} -> {{553483, 634685, 530241}, {"", ""}}, 
   {706.3213, 13.875223, "Meta"} -> {{475684, 432850, 359766}, {"", ""}}, 
   {1242.5096, 13.876581, "Meta"} -> {{38395, 47878, 1}, {"", ""}}, 
   {582.2468, 13.8751, "Meta"} -> {{5442603, 5010948, 3940677}, 
     {"Biliverdin IX [ C33 H34 N4 O6, db=45.81, overall=22.91, HMP \
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   {896.3746, 13.876728, "Meta"} -> {{143017, 195269, 131364}, {"", ""}}, 
   {720.3007, 13.875195, "Meta"} -> {{295210, 287335, 209676}, {"", ""}}, 
   {908.3734, 13.876348, "Meta"} -> {{77291, 85305, 64015}, {"", ""}}, 
   {636.1519, 13.87985, "Meta"} -> {{60864, 51448, 65822}, {"", ""}}, 
   {943.4197, 13.876037, "Meta"} -> {{108944, 93367, 1}, {"", ""}}, 
   {1192.4886, 13.875974, "Meta"} -> {{694538, 719171, 551959}, {"", ""}}, 
   {1226.5306, 13.877594, "Meta"} -> {{226042, 206967, 142106}, {"", ""}}, 
   {314.1267, 13.875557, "Meta"} -> {{674857, 761239, 616051}, {"", ""}}, 
   {748.2959, 13.87564, "Meta"} -> {{118278, 104302, 77832}, {"", ""}}, 
   {734.3167, 13.875916, "Meta"} -> {{876246, 784529, 593565}, {"", ""}}, 
   {970.4116, 13.876899, "Meta"} -> {{33537, 95783, 1}, {"", ""}}, 
   {867.3674, 13.8762865, "Meta"} -> {{222158, 251669, 176549}, {"", ""}}, 
   {926.3857, 13.876266, "Meta"} -> {{128927, 152293, 1}, {"", ""}}, 
   {583.2517, 13.87564, "Meta"} -> {{3511332, 3009415, 2204244}, {"", ""}}, 
   {956.396, 13.876835, "Meta"} -> {{35865, 81453, 31795}, {"", ""}}, 
   {676.308, 13.876473, "Meta"} -> {{110438, 108860, 118834}, {"", ""}}, 
   {929.4038, 13.876501, "Meta"} -> {{96594, 120928, 93540}, {"", ""}}, 
   {672.2801, 13.875572, "Meta"} -> {{1966308, 1, 1}, {"", ""}}, 
   {493.2209, 13.875945, "Meta"} -> {{263727, 279827, 217565}, {"", ""}}, 
   {658.2643, 13.874903, "Meta"} -> {{354320, 472991, 1}, {"", ""}}, 
   {1151.4832, 13.877482, "Meta"} -> {{29192, 57229, 39502}, {"", ""}}, 
   {961.4299, 13.877784, "Meta"} -> {{1, 29720, 1}, {"", ""}}, 
   {912.4054, 13.877669, "Meta"} -> {{362876, 364457, 224385}, {"", ""}}, 
   {762.3116, 13.876194, "Meta"} -> {{389491, 341795, 250145}, {"", ""}}, 
   {975.4451, 13.8780365, "Meta"} -> {{1, 53569, 1}, {"", ""}}, 
   {509.216, 13.87594, "Meta"} -> {{58055, 55155, 52204}, {"", ""}}, 
   {491.2056, 13.876723, "Meta"} -> {{284862, 353047, 295399}, 
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   {881.3826, 13.877259, "Meta"} -> {{42180, 1, 31689}, {"", ""}}, 
   {1193.664, 13.879387, "Meta"} -> {{300946, 78301, 47807}, {"", ""}}, 
   {582.7497, 13.876502, "Meta"} -> {{483456, 376217, 121782}, {"", ""}}, 
   {495.208, 13.876967, "Meta"} -> {{42344, 50518, 42061}, 
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   {616.2538, 13.877678, "Meta"} -> {{113672, 242905, 195629}, {"", ""}}, 
   {479.205, 13.876445, "Meta"} -> {{76702, 72996, 87046}, 
     {"Nicardipine [ C26 H29 N3 O6, db=70.81, overall=35.41, KEGG ID=C07264, \
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    {{19008, 17369, 15153}, {"", ""}}, {567.2211, 13.876649, "Meta"} -> 
    {{139467, 170386, 112644}, {"", ""}}, {644.7861, 13.877095, "Meta"} -> 
    {{1, 63652, 16165}, {"", ""}}, {461.195, 13.876152, "Meta"} -> 
    {{26235, 29589, 21208}, 
     {"Gln Trp Glu [ C21 H27 N5 O7, db=34.78, overall=17.39 ]", ""}}, 
   {298.1317, 13.878472, "Meta"} -> {{537605, 743670, 601326}, {"", ""}}, 
   {352.1394, 13.880392, "Meta"} -> {{21454, 44144, 1}, 
     {"Asn Tyr Gly [ C15 H20 N4 O6, db=68.82, overall=34.41 ]", ""}}, 
   {284.1158, 13.879252, "Meta"} -> {{310376, 431294, 363639}, {"", ""}}, 
   {477.1898, 13.879307, "Meta"} -> {{215404, 170950, 251540}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=74.18, overall=37.09, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {833.4963, 13.885234, "Meta"} -> 
    {{297521, 47010, 31418}, {"", ""}}, {1045.5562, 13.8920965, "Meta"} -> 
    {{72381, 19954, 31723}, {"", ""}}, {1095.5912, 13.892453, "Meta"} -> 
    {{36253, 27061, 1}, {"", ""}}, {1048.5735, 13.892926, "Meta"} -> 
    {{57408, 22577, 1}, {"", ""}}, {779.4516, 13.885543, "Meta"} -> 
    {{103716, 1, 1}, {"", ""}}, {918.6492, 13.8966, "Meta"} -> 
    {{536206, 52571, 447816}, {"", ""}}, {935.6756, 13.895752, "Meta"} -> 
    {{472184, 449533, 529172}, {"", ""}}, {891.6496, 13.895306, "Meta"} -> 
    {{345039, 339678, 406739}, {"C24 Sulfatide [ C48 H93 N O11 S, db=88.42, \
overall=44.21, Lipid ID=LMSP06020013, KEGG ID= ]", ""}}, 
   {749.4387, 13.89454, "Meta"} -> {{36640, 29075, 13736}, {"", ""}}, 
   {830.5967, 13.895909, "Meta"} -> {{273104, 250174, 235130}, {"", ""}}, 
   {847.6232, 13.896607, "Meta"} -> {{179103, 207455, 262029}, {"", ""}}, 
   {979.702, 13.896585, "Meta"} -> {{567457, 544048, 652120}, {"", ""}}, 
   {1050.7274, 13.9000435, "Meta"} -> {{1, 39593, 500584}, {"", ""}}, 
   {1028.6847, 13.898851, "Meta"} -> {{814331, 1, 1}, {"", ""}}, 
   {984.6579, 13.897518, "Meta"} -> {{619667, 649848, 1}, {"", ""}}, 
   {1023.7278, 13.898656, "Meta"} -> {{640678, 567086, 664321}, {"", ""}}, 
   {962.6753, 13.896331, "Meta"} -> {{87259, 56459, 526390}, {"", ""}}, 
   {803.597, 13.898972, "Meta"} -> {{119795, 127917, 130507}, {"", ""}}, 
   {1006.7014, 13.900152, "Meta"} -> {{60597, 565885, 526833}, {"", ""}}, 
   {1067.7542, 13.901264, "Meta"} -> {{628523, 571747, 662085}, {"", ""}}, 
   {1094.7538, 13.901059, "Meta"} -> {{703076, 40115, 473385}, {"", ""}}, 
   {465.3222, 13.902696, "Meta"} -> {{2373517, 1106740, 590718}, {"", ""}}, 
   {1138.7803, 13.90453, "Meta"} -> {{60330, 31013, 21765}, {"", ""}}, 
   {478.8288, 13.901231, "Meta"} -> {{37178, 55171, 1}, {"", ""}}, 
   {996.7292, 13.904589, "Meta"} -> {{67405, 84126, 126433}, 
     {"TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,\
13Z,16Z,19Z))[iso3] [ C67 H96 O6, db=48.00, overall=24.00, Lipid \
ID=LMGL03012576, KEGG ID= ]", ""}}, {1160.7618, 13.905588, "Meta"} -> 
    {{661915, 546119, 455045}, {"", ""}}, {503.2691, 13.903366, "Meta"} -> 
    {{68523, 38965, 1}, {"", ""}}, {522.8552, 13.904035, "Meta"} -> 
    {{1, 177271, 211172}, {"", ""}}, {1001.6842, 13.904192, "Meta"} -> 
    {{151926, 170007, 189622}, {"", ""}}, {511.8639, 13.905617, "Meta"} -> 
    {{43516, 48490, 51229}, {"", ""}}, {544.8687, 13.907429, "Meta"} -> 
    {{205087, 252486, 295806}, {"", ""}}, {489.8508, 13.903928, "Meta"} -> 
    {{20461, 29598, 30504}, {"", ""}}, {1050.6691, 13.904042, "Meta"} -> 
    {{1, 219679, 158534}, {"", ""}}, {1040.753, 13.906883, "Meta"} -> 
    {{75261, 131803, 205694}, {"", ""}}, {549.3798, 13.901501, "Meta"} -> 
    {{3081224, 442156, 359628}, {"", ""}}, {555.8901, 13.907157, "Meta"} -> 
    {{76212, 1133747, 1305244}, {"", ""}}, {1248.8145, 13.916356, "Meta"} -> 
    {{457843, 340386, 286126}, {"", ""}}, {591.8776, 13.913758, "Meta"} -> 
    {{1, 111863, 97306}, {"", ""}}, {591.3753, 13.914109, "Meta"} -> 
    {{1, 208425, 189773}, {"", ""}}, {1172.8337, 13.914706, "Meta"} -> 
    {{277685, 355293, 546956}, {"", ""}}, {643.9424, 13.918862, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1243.8593, 13.917862, "Meta"} -> 
    {{1071407, 1134992, 1293036}, {"", ""}}, 
   {1216.8606, 13.917243, "Meta"} -> {{295685, 1, 614740}, {"", ""}}, 
   {1292.8436, 13.918814, "Meta"} -> {{600304, 1, 230560}, {"", ""}}, 
   {482.3011, 13.906962, "Meta"} -> {{139269, 1, 40390}, {"", ""}}, 
   {1260.8875, 13.921888, "Meta"} -> {{393051, 435101, 669396}, {"", ""}}, 
   {1336.8698, 13.9245, "Meta"} -> {{1, 1, 126638}, 
     {"Ganglioside GA1 (d18:1/24:1(15Z)) [ C68 H124 N2 O23, db=60.87, \
overall=30.44, HMP ID=HMDB04906, KEGG ID= ]", ""}}, 
   {1304.9122, 13.925807, "Meta"} -> {{387344, 448630, 697980}, {"", ""}}, 
   {1309.8685, 13.923631, "Meta"} -> {{1, 724556, 1}, {"", ""}}, 
   {1331.9117, 13.925688, "Meta"} -> {{1, 949819, 1}, {"", ""}}, 
   {1066.7665, 13.906301, "Meta"} -> {{326210, 217999, 1}, {"", ""}}, 
   {1348.9387, 13.928513, "Meta"} -> {{417036, 442932, 656227}, {"", ""}}, 
   {1380.8955, 13.928842, "Meta"} -> {{1, 460646, 382905}, {"", ""}}, 
   {442.2608, 13.933564, "Meta"} -> {{90953, 15584, 21818}, {"", ""}}, 
   {1375.9377, 13.930394, "Meta"} -> {{796136, 857660, 892335}, {"", ""}}, 
   {1392.9644, 13.933, "Meta"} -> {{342435, 384532, 567075}, {"", ""}}, 
   {1424.9208, 13.932688, "Meta"} -> {{106135, 374852, 326320}, {"", ""}}, 
   {1419.9648, 13.935295, "Meta"} -> {{701791, 730708, 749590}, {"", ""}}, 
   {344.2923, 13.939112, "Meta"} -> {{2493278, 383193, 581330}, 
     {"1-heptadecanoyl-rac-glycerol [ C20 H40 O4, db=98.52, overall=49.26, \
KEGG ID=, CAS ID=68002-72-2 ]", "68002-72-2"}}, 
   {1468.948, 13.937098, "Meta"} -> {{337401, 319026, 51773}, {"", ""}}, 
   {1436.9904, 13.938028, "Meta"} -> {{311994, 344050, 522222}, {"", ""}}, 
   {1463.9899, 13.9394865, "Meta"} -> {{579374, 559415, 632524}, {"", ""}}, 
   {466.3654, 13.941461, "Meta"} -> {{150405, 406715, 423045}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=76.50, overall=38.25, \
Lipid ID=LMST01030128, KEGG ID= ]", ""}}, {1481.017, 13.942124, "Meta"} -> 
    {{288544, 317035, 452738}, {"", ""}}, {1508.0137, 13.944414, "Meta"} -> 
    {{496820, 485348, 64999}, {"", ""}}, {222.1615, 13.993, "Meta"} -> 
    {{48897, 1, 1}, {"", ""}}, {1529.9991, 13.944249, "Meta"} -> 
    {{1, 1, 435850}, {"", ""}}, {283.2872, 13.950055, "Meta"} -> 
    {{382181, 318053, 278559}, {"Stearamide [ C18 H37 N O, db=99.52, \
overall=49.76, KEGG ID=, CAS ID=124-26-5 ]", "124-26-5"}}, 
   {1525.0424, 13.947517, "Meta"} -> {{243721, 284463, 360865}, {"", ""}}, 
   {386.1755, 13.956785, "Meta"} -> {{39280, 34084, 27539}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=50.71, overall=25.36 ]", ""}}, 
   {1623.0092, 13.9477415, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {428.2901, 13.938, "Meta"} -> {{1, 75975, 87884}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=61.60, \
overall=30.80, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {1618.051, 13.949916, "Meta"} -> {{267204, 1, 297775}, {"", ""}}, 
   {1569.0697, 13.946124, "Meta"} -> {{206099, 213460, 300182}, {"", ""}}, 
   {467.3376, 13.954553, "Meta"} -> {{336394, 115724, 83445}, {"", ""}}, 
   {347.2825, 13.963371, "Meta"} -> {{321865, 329614, 287415}, 
     {"(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide [ C22 \
H37 N O2, db=98.13, overall=49.07, KEGG ID=, CAS ID= ]", ""}}, 
   {330.2557, 13.959749, "Meta"} -> {{425513, 564264, 407462}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=84.17, \
overall=42.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {1662.0767, 13.946449, "Meta"} -> {{204060, 210239, 237428}, {"", ""}}, 
   {510.3319, 13.973654, "Meta"} -> {{1, 72852, 268295}, 
     {"11-(3-acetoxy-1-propynyl)-1alpha,25-dihydroxy-9,11-didehydrovitamin D3 \
/ 11-(3-acetoxy-1-propynyl)-1 [ C32 H46 O5, db=44.65, overall=22.33, Lipid \
ID=LMST03020511, KEGG ID= ]", ""}}, {452.3502, 13.976595, "Meta"} -> 
    {{119680, 28645, 143350}, {"5beta-Cholestane-3alpha,7alpha,12alpha,25,26-\
pentol [ C27 H48 O5, db=62.10, overall=31.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {1657.1215, 13.958542, "Meta"} -> {{1, 102344, 147047}, {"", ""}}, 
   {1750.128, 13.9647875, "Meta"} -> {{122023, 105659, 1}, {"", ""}}, 
   {220.146, 13.986333, "Meta"} -> {{36758, 41257, 23889}, {"", ""}}, 
   {329.2933, 13.898458, "Meta"} -> {{244605, 204739, 219109}, {"", ""}}, 
   {460.3175, 13.9654, "Meta"} -> {{123796, 167875, 1}, 
     {"(24R)-1alpha,24,25,26-tetrahydroxyvitamin D2 / \
(24R)-1alpha,24,25,26-tetrahydroxyergocalciferol [ C28 H44 O5, db=68.24, \
overall=34.12, Lipid ID=LMST03010054, KEGG ID= ]", ""}}, 
   {1745.1743, 13.967287, "Meta"} -> {{82932, 58162, 96368}, {"", ""}}, 
   {1701.1473, 13.966741, "Meta"} -> {{117894, 92498, 1}, {"", ""}}, 
   {402.2765, 13.957289, "Meta"} -> {{23843, 50363, 44696}, 
     {"1alpha-hydroxy-26,27-dinorvitamin D3 25-carboxylic acid / \
1alpha-hydroxy-26,27-dinorcholecalciferol [ C25 H38 O4, db=52.81, \
overall=26.41, Lipid ID=LMST03020025, KEGG ID= ]", ""}}, 
   {440.3505, 13.985816, "Meta"} -> {{111267, 368420, 316923}, {"", ""}}, 
   {484.3164, 13.975783, "Meta"} -> {{133359, 184128, 157278}, {"", ""}}, 
   {653.3246, 13.973182, "Meta"} -> {{44488, 15360, 16831}, {"", ""}}, 
   {334.2482, 13.893001, "Meta"} -> {{912459, 1, 389030}, 
     {"Tetrahydrodeoxycorticosterone [ C21 H34 O3, db=65.74, overall=32.87, \
HMP ID=HMDB00879, KEGG ID= ]", ""}}, {1319.1475, 13.976606, "Meta"} -> 
    {{20832, 20748, 16925}, {"", ""}}, {386.3394, 13.973793, "Meta"} -> 
    {{176033, 177842, 153334}, {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, \
db=89.09, overall=44.55, KEGG ID=, CAS ID= ]", ""}}, 
   {831.6982, 13.975789, "Meta"} -> {{23493, 26058, 21391}, {"", ""}}, 
   {806.668, 13.976223, "Meta"} -> {{290808, 218238, 202716}, {"", ""}}, 
   {866.6982, 13.981547, "Meta"} -> {{1, 24692, 22869}, {"", ""}}, 
   {354.2087, 13.977749, "Meta"} -> {{450065, 339467, 316918}, {"", ""}}, 
   {224.1773, 13.974033, "Meta"} -> {{1, 17880, 18067}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=68.79, overall=34.39, \
Lipid ID=, KEGG ID= ]", ""}}, {270.2557, 13.976111, "Meta"} -> 
    {{547058, 377162, 358238}, {"10-methyl-hexadecanoic acid [ C17 H34 O2, \
db=99.62, overall=49.81, Lipid ID=, KEGG ID= ]", ""}}, 
   {1062.9073, 13.976445, "Meta"} -> {{55040, 34483, 35968}, {"", ""}}, 
   {597.4186, 13.975773, "Meta"} -> {{72467, 41445, 32025}, {"", ""}}, 
   {238.2292, 13.975834, "Meta"} -> {{296623, 206551, 193830}, 
     {"cis-11-Hexadecenal [ C16 H30 O, db=98.78, overall=49.39, KEGG ID=, CAS \
ID=53939-28-9 ]", "53939-28-9"}}, {256.2401, 13.976223, "Meta"} -> 
    {{1368266, 912451, 852484}, {"2-propyl-tridecanoic acid [ C16 H32 O2, \
db=86.75, overall=43.37, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2322, 13.97861, "Meta"} -> {{209423, 212633, 202339}, {"", ""}}, 
   {386.2337, 13.980557, "Meta"} -> {{23828, 21449, 1}, 
     {"1-tridecanoyl-sn-glycero-3-phosphate [ C16 H37 N O7 P, db=38.62, \
overall=19.31, KEGG ID=, CAS ID= ]", ""}}, {568.3997, 13.977068, "Meta"} -> 
    {{84954, 29168, 1}, {"1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphate \
(ammonium salt) [ C28 H59 N O8 P, db=52.38, overall=26.19, KEGG ID=, CAS ID= \
]", ""}}, {374.1813, 13.978594, "Meta"} -> {{29129, 1, 1}, 
     {"Glu Asn Leu [ C15 H26 N4 O7, db=57.08, overall=28.54 ]", ""}}, 
   {401.2, 13.978515, "Meta"} -> {{152104, 102468, 75208}, {"", ""}}, 
   {429.2065, 13.981425, "Meta"} -> {{51744, 1, 1}, {"", ""}}, 
   {444.2765, 13.977774, "Meta"} -> {{64408, 57141, 58082}, {"", ""}}, 
   {610.4531, 13.979807, "Meta"} -> {{260876, 257980, 235626}, {"", ""}}, 
   {897.0775, 13.963102, "Meta"} -> {{51857, 53138, 1}, {"", ""}}, 
   {420.3661, 13.976656, "Meta"} -> {{18591, 24060, 28093}, {"", ""}}, 
   {294.1873, 13.977543, "Meta"} -> {{53091, 42115, 46837}, 
     {"Sodium tetradecyl sulfate [ C14 H30 O4 S, db=82.16, overall=41.08, \
KEGG ID=, CAS ID=139-88-8 ]", "139-88-8"}}, {556.3739, 13.973735, "Meta"} -> 
    {{200710, 217084, 292119}, {"", ""}}, {540.3787, 13.981038, "Meta"} -> 
    {{127742, 166735, 144503}, {"", ""}}, {500.3862, 13.978946, "Meta"} -> 
    {{154531, 172719, 160587}, {"", ""}}, {1838.1816, 13.978887, "Meta"} -> 
    {{62435, 61024, 1}, {"", ""}}, {273.2666, 13.976639, "Meta"} -> 
    {{74305, 57251, 66900}, {"C16 Sphinganine [ C16 H35 N O2, db=89.23, \
overall=44.61, Lipid ID=LMSP01040001, KEGG ID= ]", ""}}, 
   {370.2578, 13.982139, "Meta"} -> {{75953, 70634, 45303}, {"", ""}}, 
   {470.3612, 13.984445, "Meta"} -> {{200071, 186408, 275572}, {"", ""}}, 
   {307.287, 13.978666, "Meta"} -> {{346163, 79224, 97745}, {"", ""}}, 
   {369.1855, 13.979225, "Meta"} -> {{53635, 49679, 1}, {"", ""}}, 
   {520.4126, 13.9819145, "Meta"} -> {{311724, 339149, 362902}, {"", ""}}, 
   {560.4047, 13.986311, "Meta"} -> {{195087, 212081, 180947}, {"", ""}}, 
   {685.3513, 13.989969, "Meta"} -> {{34387, 12362, 13323}, {"", ""}}, 
   {600.436, 13.992064, "Meta"} -> {{84642, 76106, 62160}, {"", ""}}, 
   {276.2085, 13.992001, "Meta"} -> {{41713, 41910, 30995}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=76.40, overall=38.20, Lipid \
ID=, KEGG ID= ]", ""}}, {294.2182, 13.990687, "Meta"} -> 
    {{40997, 46530, 46194}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, \
db=70.71, overall=35.35, Lipid ID=, KEGG ID= ]", ""}}, 
   {486.3319, 13.971826, "Meta"} -> {{240487, 259567, 1}, {"", ""}}, 
   {1764.1438, 14.027258, "Meta"} -> {{198687, 20503, 22824}, {"", ""}}, 
   {306.2556, 13.999083, "Meta"} -> {{463469, 480364, 326822}, 
     {"ETrE(11Z, 14Z, 17Z) [ C20 H34 O2, db=67.35, overall=33.67, Lipid \
ID=LMFA01030378, KEGG ID= ]", ""}}, {507.3694, 13.993544, "Meta"} -> 
    {{2491308, 811279, 416389}, {"", ""}}, {323.2821, 13.996278, "Meta"} -> 
    {{181187, 195310, 156123}, {"(9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-die\
namide [ C20 H37 N O2, db=99.15, overall=49.57, KEGG ID=, CAS ID= ]", ""}}, 
   {490.3655, 14.002969, "Meta"} -> {{1, 1, 325927}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=61.55, \
overall=30.77, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {362.1752, 14.002638, "Meta"} -> {{51141, 53283, 31447}, 
     {"Met Gly Arg [ C13 H26 N6 O4 S, db=56.03, overall=28.02 ]", ""}}, 
   {360.2646, 14.006222, "Meta"} -> {{71488, 12247, 1}, 
     {"1alpha,23-dihydroxy-24,25,26,27-tetranorvitamin D3 / \
1alpha,23-dihydroxy-24,25,26,27-tetranorcholeca [ C23 H36 O3, db=49.92, \
overall=24.96, Lipid ID=LMST03020020, KEGG ID= ]", ""}}, 
   {627.5055, 14.012999, "Meta"} -> {{19216, 18942, 1}, {"", ""}}, 
   {388.2586, 14.0047655, "Meta"} -> {{22640, 31587, 1}, 
     {"7,12-Dioxo-5beta-cholan-24-oic Acid [ C24 H36 O4, db=55.81, \
overall=27.91, Lipid ID=, KEGG ID= ]", ""}}, {472.3551, 13.985233, "Meta"} -> 
    {{41647, 59376, 1}, {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehydro-2\
3-oxavitamin D3 / 26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=61.77, \
overall=30.89, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {420.3237, 13.996353, "Meta"} -> {{182497, 69751, 216484}, 
     {"1alpha,2alpha,25-trihydroxy-19-norvitamin D3 / \
1alpha,2alpha,25-trihydroxy-19-norcholecalciferolchol [ C26 H44 O4, db=77.07, \
overall=38.53, Lipid ID=LMST03020547, KEGG ID= ]", ""}}, 
   {512.3477, 14.046452, "Meta"} -> {{493207, 808494, 96042}, 
     {"ZK 159222 [ C32 H48 O5, db=50.94, overall=25.47, Lipid \
ID=LMST03020621, KEGG ID= ]", ""}}, {545.3171, 14.010888, "Meta"} -> 
    {{47327, 21483, 1}, {"", ""}}, {469.2862, 14.021042, "Meta"} -> 
    {{30687, 1, 1}, {"", ""}}, {259.2508, 14.031133, "Meta"} -> 
    {{48776, 23769, 1}, {"", ""}}, {242.2245, 14.033613, "Meta"} -> 
    {{695770, 378668, 197723}, {"Isopentadecylic acid [ C15 H30 O2, db=99.40, \
overall=49.70, KEGG ID=, CAS ID= ]", ""}}, {295.2873, 14.061223, "Meta"} -> 
    {{238508, 181425, 1}, {"", ""}}, {408.1761, 14.037353, "Meta"} -> 
    {{7169487, 2751840, 1.31*^7}, 
     {"Trp Gly Phe [ C22 H24 N4 O4, db=41.37, overall=20.69 ]", ""}}, 
   {298.2508, 14.035623, "Meta"} -> {{1, 33025, 1}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=71.18, overall=35.59, \
Lipid ID=, KEGG ID= ]", ""}}, {454.3265, 13.978308, "Meta"} -> 
    {{186919, 331444, 284777}, {"GPCho(O-7:0/O-7:0) [ C22 H49 N O6 P, \
db=80.05, overall=40.03, Lipid ID=LMGP01040080, KEGG ID= ]", ""}}, 
   {449.3718, 14.041364, "Meta"} -> {{418994, 63884, 77290}, {"", ""}}, 
   {171.108, 14.037002, "Meta"} -> {{702823, 334224, 1247620}, {"", ""}}, 
   {353.3292, 14.065957, "Meta"} -> {{11537, 1, 1}, 
     {"(Z)-N-(2-hydroxyethyl)icos-11-enamide [ C22 H43 N O2, db=53.55, \
overall=26.77, KEGG ID=, CAS ID= ]", ""}}, {358.3083, 14.061032, "Meta"} -> 
    {{3438325, 400141, 550379}, {"1-octadecanoyl-rac-glycerol [ C21 H42 O4, \
db=91.49, overall=45.75, KEGG ID=, CAS ID= ]", ""}}, 
   {534.3899, 14.062283, "Meta"} -> {{733161, 1136022, 729759}, {"", ""}}, 
   {1218.8057, 14.057057, "Meta"} -> {{789321, 362407, 1}, {"", ""}}, 
   {642.91, 14.060259, "Meta"} -> {{148927, 147007, 114925}, {"", ""}}, 
   {1186.8503, 14.059189, "Meta"} -> {{384839, 388417, 718165}, {"", ""}}, 
   {1103.753, 14.057482, "Meta"} -> {{311113, 311077, 361209}, {"", ""}}, 
   {1169.8226, 14.057669, "Meta"} -> {{1121031, 1110194, 1258854}, {"", ""}}, 
   {1262.8317, 14.057412, "Meta"} -> {{83549, 84256, 200581}, 
     {"Ganglioside GM3 (d18:1/24:1(15Z)) [ C65 H118 N2 O21, db=64.86, \
overall=32.43, HMP ID=HMDB04848, KEGG ID= ]", ""}}, 
   {1152.795, 14.05788, "Meta"} -> {{61120, 20204, 1}, {"", ""}}, 
   {1064.743, 14.0559025, "Meta"} -> {{500192, 49089, 1}, {"", ""}}, 
   {1213.8492, 14.058307, "Meta"} -> {{1260352, 1240604, 1336761}, {"", ""}}, 
   {1020.7168, 14.055375, "Meta"} -> {{61517, 329571, 270397}, {"", ""}}, 
   {507.8499, 14.0589695, "Meta"} -> {{63757, 63329, 69348}, {"", ""}}, 
   {1125.7968, 14.0580015, "Meta"} -> {{1036406, 520439, 584501}, {"", ""}}, 
   {1108.7697, 14.056641, "Meta"} -> {{436920, 28104, 1}, {"", ""}}, 
   {485.8368, 14.06136, "Meta"} -> {{22856, 25397, 30614}, {"", ""}}, 
   {1230.8765, 14.069205, "Meta"} -> {{1, 452468, 787270}, {"", ""}}, 
   {1306.8593, 14.060386, "Meta"} -> {{785453, 706589, 507009}, {"", ""}}, 
   {1318.9282, 14.062551, "Meta"} -> {{535342, 579254, 1025333}, {"", ""}}, 
   {1257.8752, 14.0591755, "Meta"} -> {{1238298, 1288913, 1323895}, 
     {"", ""}}, {1037.7437, 14.060363, "Meta"} -> {{430229, 624551, 715475}, 
     {"", ""}}, {1054.7722, 14.059851, "Meta"} -> {{96336, 110651, 214645}, 
     {"", ""}}, {1350.8864, 14.060532, "Meta"} -> {{713374, 195698, 117971}, 
     {"", ""}}, {1362.9545, 14.064612, "Meta"} -> {{559215, 574446, 995824}, 
     {"", ""}}, {1389.9536, 14.06309, "Meta"} -> {{117342, 1052208, 222666}, 
     {"", ""}}, {1142.8239, 14.061389, "Meta"} -> {{290221, 314131, 554436}, 
     {"", ""}}, {976.6912, 14.068707, "Meta"} -> {{78250, 313157, 1}, 
     {"", ""}}, {422.375, 14.068999, "Meta"} -> {{18259, 1, 15822}, 
     {"", ""}}, {993.7174, 14.063914, "Meta"} -> {{350432, 316971, 399091}, 
     {"", ""}}, {1438.9374, 14.065999, "Meta"} -> {{568470, 124166, 43048}, 
     {"", ""}}, {1433.9799, 14.066055, "Meta"} -> {{942828, 167839, 152929}, 
     {"", ""}}, {949.6916, 14.066196, "Meta"} -> {{242356, 221613, 267147}, 
     {"", ""}}, {1451.0062, 14.068264, "Meta"} -> 
    {{496518, 479875, 1}, {"", ""}}, {932.6646, 14.065879, "Meta"} -> 
    {{258876, 205755, 1}, {"", ""}}, {470.2924, 14.073814, "Meta"} -> 
    {{92725, 78707, 52938}, {"", ""}}, {905.6649, 14.069608, "Meta"} -> 
    {{157794, 141170, 189597}, {"", ""}}, {1522.0323, 14.071529, "Meta"} -> 
    {{743040, 664176, 98792}, {"", ""}}, {888.6409, 14.076768, "Meta"} -> 
    {{181298, 127470, 37016}, {"", ""}}, {1482.9642, 14.067459, "Meta"} -> 
    {{1, 432133, 50681}, {"", ""}}, {1174.7784, 14.05864, "Meta"} -> 
    {{501953, 409847, 269730}, {"", ""}}, {1526.9904, 14.071257, "Meta"} -> 
    {{397992, 60688, 1}, {"", ""}}, {1495.0323, 14.071646, "Meta"} -> 
    {{449734, 451816, 764368}, {"", ""}}, {861.6387, 14.075389, "Meta"} -> 
    {{72453, 68942, 87662}, {"", ""}}, {405.3454, 14.078472, "Meta"} -> 
    {{273255, 39653, 39813}, {"", ""}}, {316.2402, 14.079582, "Meta"} -> 
    {{7739064, 1870320, 1587562}, {"pregnenolone [ C21 H32 O2, db=98.88, \
overall=49.44, KEGG ID=, CAS ID=1852-38-6 ]", "1852-38-6"}}, 
   {376.2724, 14.080198, "Meta"} -> {{1235734, 960574, 669258}, {"", ""}}, 
   {284.2138, 14.07936, "Meta"} -> {{162745, 105656, 164568}, 
     {"11-cis-Retinaldehyde [ C20 H28 O, db=83.12, overall=41.56, HMP \
ID=HMDB02152, KEGG ID= ]", ""}}, {333.2666, 14.079747, "Meta"} -> 
    {{5722219, 5247245, 5757182}, {"", ""}}, {805.0406, 14.07626, "Meta"} -> 
    {{37645, 29033, 20211}, {"", ""}}, {529.4339, 14.081344, "Meta"} -> 
    {{29557, 51970, 48640}, {"", ""}}, {1632.0676, 14.078387, "Meta"} -> 
    {{418241, 393186, 1}, {"", ""}}, {1583.085, 14.078301, "Meta"} -> 
    {{361665, 367626, 541088}, {"", ""}}, {1627.1108, 14.078733, "Meta"} -> 
    {{271070, 269324, 418110}, {"", ""}}, {1676.0933, 14.06074, "Meta"} -> 
    {{26132, 300706, 1}, {"", ""}}, {1715.1598, 14.067248, "Meta"} -> 
    {{1, 200512, 1}, {"", ""}}, {948.6653, 14.082221, "Meta"} -> 
    {{62861, 69819, 50452}, {"", ""}}, {264.2448, 14.087555, "Meta"} -> 
    {{69890, 65873, 46148}, {"9,12-octadecadienal [ C18 H32 O, db=69.08, \
overall=34.54, Lipid ID=, KEGG ID= ]", ""}}, 
   {1813.1312, 14.077153, "Meta"} -> {{1, 73012, 1}, {"", ""}}, 
   {546.5012, 14.088577, "Meta"} -> {{1, 19974, 10474}, {"", ""}}, 
   {367.1936, 14.089778, "Meta"} -> {{1, 1, 1}, {"N-Desethylquinagolide [ C18 \
H29 N3 O3 S, db=63.48, overall=31.74, KEGG ID=, CAS ID= ]", ""}}, 
   {602.4589, 14.089057, "Meta"} -> {{414979, 477801, 355689}, {"", ""}}, 
   {1808.1718, 14.068594, "Meta"} -> {{137261, 147679, 1}, {"", ""}}, 
   {884.7153, 14.088696, "Meta"} -> {{131916, 152463, 99278}, {"", ""}}, 
   {380.2247, 14.088887, "Meta"} -> {{391879, 571866, 472291}, {"", ""}}, 
   {282.2564, 14.088139, "Meta"} -> {{859304, 1926717, 1440925}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=98.70, overall=49.35, Lipid \
ID=LMFA01030065, KEGG ID= ]", ""}}, {486.3322, 14.0887165, "Meta"} -> 
    {{625805, 728717, 614883}, {"", ""}}, {868.7374, 14.088824, "Meta"} -> 
    {{21380, 23413, 17453}, {"", ""}}, {299.2823, 14.088805, "Meta"} -> 
    {{248568, 229998, 282353}, {"3-Dehydrosphinganine [ C18 H37 N O2, \
db=99.55, overall=49.78, KEGG ID=C02934, CAS ID=16105-69-4 ]", 
      "16105-69-4"}}, {338.1754, 14.0895, "Meta"} -> 
    {{76914, 98064, 1}, {"2,3-Dinor-6,15-diketo-13,14-dihydro-PGF1a [ C18 H26 \
O6, db=42.53, overall=21.26, KEGG ID=, CAS ID= ]", ""}}, 
   {586.4805, 14.089943, "Meta"} -> {{32267, 49935, 45165}, 
     {"3',4'-Dihydrorhodovibrin [ C41 H62 O2, db=20.76, overall=10.38, Lipid \
ID=LMPR01070139, KEGG ID= ]", ""}}, {440.2498, 14.08963, "Meta"} -> 
    {{63971, 1, 1}, {"", ""}}, {404.1936, 14.090585, "Meta"} -> 
    {{23538, 36197, 1}, 
     {"Lys Glu Glu [ C16 H28 N4 O8, db=45.07, overall=22.53 ]", ""}}, 
   {398.202, 14.090389, "Meta"} -> {{81631, 142523, 96866}, 
     {"His Arg Ser [ C15 H26 N8 O5, db=43.07, overall=21.53 ]", ""}}, 
   {395.1929, 14.089863, "Meta"} -> {{128516, 133387, 99014}, {"", ""}}, 
   {1720.1184, 14.061962, "Meta"} -> {{24455, 247402, 23051}, {"", ""}}, 
   {434.3862, 14.09189, "Meta"} -> {{62007, 69799, 70114}, {"", ""}}, 
   {320.2035, 14.088819, "Meta"} -> {{52901, 76802, 59529}, {"", ""}}, 
   {357.2667, 14.066502, "Meta"} -> {{98388, 65539, 67293}, {"", ""}}, 
   {1803.2148, 14.080516, "Meta"} -> {{99698, 89954, 152028}, {"", ""}}, 
   {1847.2441, 14.088383, "Meta"} -> {{75485, 1, 1}, {"", ""}}, 
   {1852.1967, 14.0926, "Meta"} -> {{112514, 1, 1}, {"", ""}}, 
   {1896.2227, 14.094833, "Meta"} -> {{75062, 1, 1}, {"", ""}}, 
   {662.4873, 14.106453, "Meta"} -> {{42941, 195662, 184864}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaeno\
yl)-sn-glycerol [ C43 H66 O5, db=68.73, overall=34.37, KEGG ID=, CAS ID= ]", 
      ""}}, {498.3687, 14.089807, "Meta"} -> {{33171, 29822, 17939}, 
     {"(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a,24\
b,24c-trihomo-20-epivitamin D3 [ C32 H50 O4, db=49.58, overall=24.79, Lipid \
ID=LMST03020516, KEGG ID= ]", ""}}, {509.3843, 14.0923605, "Meta"} -> 
    {{9858562, 1886474, 1008388}, {"", ""}}, {466.3657, 14.105546, "Meta"} -> 
    {{306957, 340340, 703862}, {"6alpha-Hydroxycastasterone [ C28 H50 O5, \
db=82.12, overall=41.06, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {292.2399, 14.107418, "Meta"} -> {{605842, 291400, 295372}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=85.29, overall=42.65, \
HMP ID=HMDB00412, KEGG ID= ]", ""}}, {580.4317, 14.10757, "Meta"} -> 
    {{79811, 97106, 66087}, {"GPCho(O-18:0/4:0) [ C30 H63 N O7 P, db=63.24, \
overall=31.62, Lipid ID=LMGP01020116, KEGG ID= ]", ""}}, 
   {352.2723, 14.1108885, "Meta"} -> {{168144, 169783, 109469}, {"", ""}}, 
   {309.2668, 14.111446, "Meta"} -> {{526086, 600367, 653871}, 
     {"Dicyclomine [ C19 H35 N O2, db=99.35, overall=49.67, KEGG ID=C06951, \
CAS ID=77-19-0 ]", "77-19-0"}}, {222.1617, 14.1038265, "Meta"} -> 
    {{124402, 164900, 277212}, {"", ""}}, {960.7672, 14.101361, "Meta"} -> 
    {{136964, 45469, 45385}, {"", ""}}, {499.2963, 14.121678, "Meta"} -> 
    {{72636, 93278, 101772}, {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, \
db=89.57, overall=44.79, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {484.378, 14.105919, "Meta"} -> {{48234, 40190, 39547}, {"", ""}}, 
   {420.3042, 14.12719, "Meta"} -> {{191479, 68176, 86186}, 
     {"3D,7D,11D-Phytanic acid [ C29 H40 O2, db=55.51, overall=27.76, HMP \
ID=HMDB00417, KEGG ID= ]", ""}}, {696.4838, 14.114749, "Meta"} -> 
    {{202114, 64457, 45923}, {"", ""}}, {514.423, 14.141911, "Meta"} -> 
    {{48253, 229053, 238994}, {"", ""}}, {678.511, 14.121193, "Meta"} -> 
    {{192768, 116535, 112300}, {"GPCho(14:0/14:0[U]) [ C36 H73 N O8 P, \
db=73.61, overall=36.81, Lipid ID=LMGP01010478, KEGG ID= ]", ""}}, 
   {895.5533, 14.136167, "Meta"} -> {{31646, 15797, 1}, {"", ""}}, 
   {422.34, 14.145611, "Meta"} -> {{315346, 107074, 96391}, {"", ""}}, 
   {340.298, 14.148811, "Meta"} -> {{1315214, 325022, 558190}, 
     {"20-oxo-heneicosanoic acid [ C21 H40 O3, db=96.35, overall=48.18, Lipid \
ID=, KEGG ID= ]", ""}}, {352.334, 14.145808, "Meta"} -> 
    {{37778, 27416, 26256}, {"14Z-tricosenoic acid [ C23 H44 O2, db=81.01, \
overall=40.50, Lipid ID=, KEGG ID= ]", ""}}, 
   {1036.8195, 14.135778, "Meta"} -> {{201125, 55052, 68415}, {"", ""}}, 
   {741.6305, 14.144343, "Meta"} -> {{1212357, 121589, 227985}, {"", ""}}, 
   {384.3049, 14.142907, "Meta"} -> {{1, 137694, 207775}, {"", ""}}, 
   {403.3659, 14.148665, "Meta"} -> {{214524, 66442, 219591}, {"", ""}}, 
   {772.5821, 14.131801, "Meta"} -> {{83171, 61862, 91025}, 
     {"GPCho(16:0/19:2(9Z,12Z)[U]) [ C43 H83 N O8 P, db=73.13, overall=36.57, \
Lipid ID=LMGP01010610, KEGG ID= ]", ""}}, {764.5958, 14.144802, "Meta"} -> 
    {{189068, 71136, 102726}, {"", ""}}, {1054.792, 14.132248, "Meta"} -> 
    {{1, 23920, 25528}, {"", ""}}, {266.2608, 14.148749, "Meta"} -> 
    {{347020, 85138, 137680}, {"3E,13Z-octadecadien-1-ol [ C18 H34 O, \
db=97.90, overall=48.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {375.3339, 14.148222, "Meta"} -> {{6692962, 1482207, 2908539}, {"", ""}}, 
   {358.3078, 14.148471, "Meta"} -> {{4.8*^7, 1.02*^7, 1.36*^7}, 
     {"1-octadecanoyl-rac-glycerol [ C21 H42 O4, db=98.40, overall=49.20, \
KEGG ID=, CAS ID= ]", ""}}, {418.3406, 14.1476965, "Meta"} -> 
    {{1752454, 474396, 599353}, {"1alpha,25-dihydroxy-2alpha-methyl-19-norvit\
amin D3 / 1alpha,25-dihydroxy-2alpha-methyl-19-norcholeca [ C27 H46 O3, \
db=67.02, overall=33.51, Lipid ID=LMST03020553, KEGG ID= ]", ""}}, 
   {639.5801, 14.147194, "Meta"} -> {{406194, 231044, 243788}, {"", ""}}, 
   {1200.9023, 14.160806, "Meta"} -> {{76122, 22285, 28313}, {"", ""}}, 
   {1112.877, 14.148324, "Meta"} -> {{1237280, 135164, 175609}, {"", ""}}, 
   {814.5844, 14.151257, "Meta"} -> {{299828, 1, 81856}, {"", ""}}, 
   {769.529, 14.1481085, "Meta"} -> {{314998, 1, 1}, {"", ""}}, 
   {1471.1823, 14.148783, "Meta"} -> {{1023224, 35654, 75848}, {"", ""}}, 
   {343.3194, 14.142917, "Meta"} -> {{254735, 317504, 147583}, {"", ""}}, 
   {527.2676, 14.149583, "Meta"} -> {{160009, 47973, 51161}, {"", ""}}, 
   {456.2764, 14.150944, "Meta"} -> {{880580, 304967, 313644}, {"", ""}}, 
   {480.2429, 14.151414, "Meta"} -> {{62803, 19835, 1}, {"", ""}}, 
   {389.3503, 14.147706, "Meta"} -> {{117141, 42559, 63416}, {"", ""}}, 
   {424.2965, 14.153561, "Meta"} -> {{1, 62414, 94468}, 
     {"(22E,24E,26E)-1alpha,26b-dihydroxy-22,23,24,25,26,26a-hexadehydro-26a,\
26b-dihomo-27-norvitamin D3 / [ C28 H40 O3, db=44.45, overall=22.22, Lipid \
ID=LMST03020312, KEGG ID= ]", ""}}, {454.3656, 14.155731, "Meta"} -> 
    {{56245, 189774, 137837}, {"", ""}}, {564.5589, 14.166798, "Meta"} -> 
    {{13286, 41843, 1}, {"", ""}}, {426.327, 14.133777, "Meta"} -> 
    {{29780, 32742, 57994}, {"", ""}}, {846.402, 14.16888, "Meta"} -> 
    {{196633, 69222, 55265}, {"", ""}}, {934.6778, 14.200471, "Meta"} -> 
    {{48067, 35728, 29053}, {"", ""}}, {466.1108, 14.175235, "Meta"} -> 
    {{440899, 1031567, 615117}, {"", ""}}, {285.267, 14.18239, "Meta"} -> 
    {{381212, 309562, 291551}, {"C17 Sphingosine [ C17 H35 N O2, db=93.80, \
overall=46.90, Lipid ID=LMSP01040002, KEGG ID= ]", ""}}, 
   {436.3163, 14.176588, "Meta"} -> {{418213, 67468, 58459}, 
     {"4,4-difluoro-1alpha-hydroxyvitamin D3 / \
4,4-difluoro-1alpha-hydroxycholecalciferol [ C27 H42 F2 O2, db=84.08, \
overall=42.04, Lipid ID=LMST03020138, KEGG ID= ]", ""}}, 
   {268.24, 14.176917, "Meta"} -> {{1220114, 1246989, 833121}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=92.99, overall=46.49, Lipid \
ID=LMFA01030060, KEGG ID= ]", ""}}, {446.3394, 14.189685, "Meta"} -> 
    {{1, 326561, 457470}, {"1alpha,25-dihydroxy-11beta-methoxyvitamin D3 / \
1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, db=80.19, \
overall=40.09, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {398.3198, 14.172886, "Meta"} -> {{24828, 37409, 38250}, 
     {"(22Z)-1beta-hydroxy-22,23-didehydrovitamin D_3 / \
(22Z)-1beta-hydroxy-22,23-didehydrocholecalciferol [ C27 H42 O2, db=77.14, \
overall=38.57, Lipid ID=LMST03020151, KEGG ID= ]", ""}}, 
   {434.2678, 14.188435, "Meta"} -> {{98036, 87729, 77837}, 
     {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, db=84.90, overall=42.45, \
KEGG ID=, CAS ID=114883-29-3 ]", "114883-29-3"}}, 
   {1364.8975, 14.194389, "Meta"} -> {{594879, 531995, 393675}, 
     {"Ganglioside GA1 (d18:1/26:1(17Z)) [ C70 H128 N2 O23, db=75.48, \
overall=37.74, HMP ID=HMDB04907, KEGG ID= ]", ""}}, 
   {1447.9952, 14.192001, "Meta"} -> {{906113, 909555, 876666}, {"", ""}}, 
   {1492.0217, 14.194573, "Meta"} -> {{795219, 841225, 121822}, {"", ""}}, 
   {412.2971, 14.195, "Meta"} -> {{70401, 109025, 95856}, 
     {"Calcipotriene [ C27 H40 O3, db=80.60, overall=40.30, KEGG ID=, CAS \
ID=112965-21-6 ]", "112965-21-6"}}, {1496.9803, 14.19325, "Meta"} -> 
    {{433605, 414781, 28244}, {"", ""}}, {1420.9965, 14.197917, "Meta"} -> 
    {{415752, 476291, 835720}, {"", ""}}, {1624.1003, 14.197062, "Meta"} -> 
    {{479265, 471645, 38838}, {"", ""}}, {1817.2332, 14.199793, "Meta"} -> 
    {{136320, 121661, 1}, {"", ""}}, {1597.101, 14.198148, "Meta"} -> 
    {{333204, 345115, 577532}, {"", ""}}, {1408.9271, 14.194473, "Meta"} -> 
    {{566501, 495791, 59710}, {"", ""}}, {1861.258, 14.196594, "Meta"} -> 
    {{114941, 126430, 152003}, {"", ""}}, {1403.9694, 14.194972, "Meta"} -> 
    {{926145, 931121, 206392}, {"", ""}}, {1452.9532, 14.194514, "Meta"} -> 
    {{490585, 462742, 1}, {"", ""}}, {1509.0479, 14.196716, "Meta"} -> 
    {{1, 411608, 1}, {"", ""}}, {1465.0219, 14.194402, "Meta"} -> 
    {{435691, 441867, 805767}, {"", ""}}, {1553.0742, 14.197194, "Meta"} -> 
    {{351722, 369761, 639555}, {"", ""}}, {1562.9896, 14.198364, "Meta"} -> 
    {{298149, 294651, 1}, {"", ""}}, {1536.0472, 14.194414, "Meta"} -> 
    {{716396, 700587, 85777}, {"", ""}}, {1376.9705, 14.195032, "Meta"} -> 
    {{454399, 455852, 816515}, {"", ""}}, {1602.0566, 14.198463, "Meta"} -> 
    {{481516, 454112, 461155}, {"", ""}}, {1729.1761, 14.185585, "Meta"} -> 
    {{210411, 164418, 1}, {"", ""}}, {1695.0688, 14.195794, "Meta"} -> 
    {{206297, 185784, 126000}, {"", ""}}, {1734.1353, 14.190585, "Meta"} -> 
    {{313128, 291220, 1}, {"", ""}}, {1783.1184, 14.192629, "Meta"} -> 
    {{139932, 112847, 85714}, {"", ""}}, {649.9173, 14.20141, "Meta"} -> 
    {{99224, 100039, 72844}, {"", ""}}, {484.2849, 14.207409, "Meta"} -> 
    {{37392, 64731, 51740}, {"GPGro(16:0/0:0)[U] [ C22 H45 O9 P, db=38.98, \
overall=19.49, Lipid ID=LMGP04050002, KEGG ID= ]", ""}}, 
   {1690.1084, 14.19928, "Meta"} -> {{362040, 351425, 366713}, {"", ""}}, 
   {1739.0945, 14.198658, "Meta"} -> {{171091, 167087, 117302}, {"", ""}}, 
   {1651.0406, 14.192531, "Meta"} -> {{236733, 227361, 1}, {"", ""}}, 
   {1641.1263, 14.192625, "Meta"} -> {{300421, 289349, 496202}, {"", ""}}, 
   {1271.8907, 14.198788, "Meta"} -> {{340617, 1, 995974}, {"", ""}}, 
   {1773.2079, 14.200658, "Meta"} -> {{165398, 149229, 245726}, {"", ""}}, 
   {1822.1873, 14.202721, "Meta"} -> {{1, 150084, 1}, {"", ""}}, 
   {613.9317, 14.198634, "Meta"} -> {{1, 427358, 490237}, {"", ""}}, 
   {1866.2135, 14.191801, "Meta"} -> {{157649, 136606, 127713}, {"", ""}}, 
   {649.4179, 14.206075, "Meta"} -> {{1, 199006, 138274}, {"", ""}}, 
   {1276.8481, 14.198558, "Meta"} -> {{263600, 150729, 154318}, {"", ""}}, 
   {1288.9185, 14.196689, "Meta"} -> {{392587, 364581, 682279}, {"", ""}}, 
   {1871.1737, 14.199768, "Meta"} -> {{86486, 71090, 50212}, {"", ""}}, 
   {1232.82, 14.198863, "Meta"} -> {{289242, 238047, 351323}, {"", ""}}, 
   {1827.1462, 14.200866, "Meta"} -> {{111955, 101520, 64353}, {"", ""}}, 
   {1778.1611, 14.200578, "Meta"} -> {{281638, 218841, 229305}, {"", ""}}, 
   {1244.8917, 14.2033415, "Meta"} -> {{320535, 294729, 563678}, {"", ""}}, 
   {583.7208, 14.204438, "Meta"} -> {{33203, 44331, 47404}, {"", ""}}, 
   {1249.8477, 14.203148, "Meta"} -> {{1, 490372, 504383}, {"", ""}}, 
   {1200.8668, 14.204945, "Meta"} -> {{235889, 234926, 418345}, {"", ""}}, 
   {365.3013, 14.216527, "Meta"} -> {{64964, 48981, 42550}, {"", ""}}, 
   {1188.7935, 14.202201, "Meta"} -> {{273695, 219154, 159281}, {"", ""}}, 
   {605.8921, 14.206543, "Meta"} -> {{65189, 62969, 49261}, {"", ""}}, 
   {1183.8381, 14.204194, "Meta"} -> {{711097, 664940, 724865}, {"", ""}}, 
   {1144.769, 14.20787, "Meta"} -> {{89730, 394658, 161269}, {"", ""}}, 
   {424.3908, 14.209613, "Meta"} -> {{34588, 22451, 18560}, {"", ""}}, 
   {554.3656, 14.166631, "Meta"} -> {{80550, 40382, 439836}, {"", ""}}, 
   {1156.8387, 14.209628, "Meta"} -> {{129710, 195284, 323963}, {"", ""}}, 
   {1139.8115, 14.206183, "Meta"} -> {{299683, 206589, 1}, {"", ""}}, 
   {406.3804, 14.209417, "Meta"} -> {{33059, 24080, 17799}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=79.02, \
overall=39.51, Lipid ID=, KEGG ID= ]", ""}}, {440.3857, 14.214, "Meta"} -> 
    {{214498, 120535, 71779}, {"", ""}}, {488.3482, 14.211999, "Meta"} -> 
    {{168682, 1, 293522}, {"", ""}}, {1100.7411, 14.209909, "Meta"} -> 
    {{1, 163878, 110090}, {"", ""}}, {514.4233, 14.214094, "Meta"} -> 
    {{47863, 261468, 229936}, {"", ""}}, {1116.779, 14.224416, "Meta"} -> 
    {{1, 2540185, 458191}, {"", ""}}, {328.3451, 14.2168, "Meta"} -> 
    {{210450, 46539, 111351}, {"", ""}}, {283.2869, 14.21733, "Meta"} -> 
    {{9566444, 1560812, 1395620}, {"Stearamide [ C18 H37 N O, db=96.78, \
overall=48.39, KEGG ID=, CAS ID=124-26-5 ]", "124-26-5"}}, 
   {431.3039, 14.195275, "Meta"} -> {{152545, 122657, 187601}, {"", ""}}, 
   {1051.7598, 14.215641, "Meta"} -> {{133614, 162706, 195943}, {"", ""}}, 
   {1095.7856, 14.213828, "Meta"} -> {{312030, 241857, 283987}, {"", ""}}, 
   {1012.6886, 14.219436, "Meta"} -> {{81841, 1, 64989}, {"", ""}}, 
   {1022.7088, 14.223097, "Meta"} -> {{1, 48036, 34126}, {"", ""}}, 
   {422.3747, 14.206687, "Meta"} -> {{18896, 1, 13655}, {"", ""}}, 
   {1007.7326, 14.221612, "Meta"} -> {{114374, 122069, 132889}, {"", ""}}, 
   {518.3967, 14.2736025, "Meta"} -> {{157175, 171849, 1}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=61.50, \
overall=30.75, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {1885.1884, 14.293885, "Meta"} -> {{101620, 1, 63401}, {"", ""}}, 
   {325.2996, 14.210102, "Meta"} -> {{41187, 61020, 12018}, 
     {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, db=43.24, overall=21.62, \
KEGG ID=, CAS ID= ]", ""}}, {612.4955, 14.216895, "Meta"} -> 
    {{101446, 123999, 138219}, {"", ""}}, {624.5072, 14.226657, "Meta"} -> 
    {{181975, 175818, 191177}, {"", ""}}, {538.3636, 14.237194, "Meta"} -> 
    {{159786, 179008, 146403}, {"", ""}}, {308.2716, 14.231286, "Meta"} -> 
    {{55572, 39074, 1}, {"5,11-Eicosadienoic acid [ C20 H36 O2, db=81.25, \
overall=40.62, Lipid ID=, KEGG ID= ]", ""}}, {278.2241, 14.218176, "Meta"} -> 
    {{104812, 160028, 148230}, {"beta-eleostearic acid [ C18 H30 O2, \
db=83.37, overall=41.68, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {963.7065, 14.228668, "Meta"} -> {{58312, 60574, 68065}, {"", ""}}, 
   {369.3356, 14.230916, "Meta"} -> {{270279, 229872, 92229}, {"", ""}}, 
   {309.3033, 14.23247, "Meta"} -> {{1411568, 955014, 276887}, {"", ""}}, 
   {538.4231, 14.239277, "Meta"} -> {{448540, 627208, 830260}, 
     {"GPCho(O-16:0/O-4:0[U]) [ C28 H61 N O6 P, db=76.53, overall=38.26, \
Lipid ID=LMGP01040044, KEGG ID= ]", ""}}, {520.413, 14.242222, "Meta"} -> 
    {{1139390, 1475054, 1617850}, {"", ""}}, {647.3629, 14.24356, "Meta"} -> 
    {{31600, 1, 28949}, {"", ""}}, {591.3425, 14.248113, "Meta"} -> 
    {{53159, 69266, 41054}, {"", ""}}, {636.3988, 14.250115, "Meta"} -> 
    {{45546, 85015, 86295}, {"", ""}}, {1098.8239, 14.252852, "Meta"} -> 
    {{113663, 108766, 89004}, {"", ""}}, {594.3456, 14.25331, "Meta"} -> 
    {{75607, 65886, 47181}, {"L-Urobilin [ C33 H46 N4 O6, db=35.51, \
overall=17.75, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {256.24, 14.260359, "Meta"} -> {{118583, 50840, 38438}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=78.64, overall=39.32, Lipid \
ID=, KEGG ID= ]", ""}}, {387.3139, 14.260241, "Meta"} -> 
    {{83790, 1, 174407}, {"", ""}}, {373.2977, 14.262173, "Meta"} -> 
    {{138803, 84630, 109084}, {"Arachidonoylmorpholine [ C24 H39 N O2, \
db=92.07, overall=46.03, Lipid ID=LMFA08020052, KEGG ID= ]", ""}}, 
   {227.1883, 14.25888, "Meta"} -> {{26058, 21862, 1}, {"", ""}}, 
   {310.2297, 14.267167, "Meta"} -> {{162532, 102413, 116184}, 
     {"Desogestrel [ C22 H30 O, db=87.12, overall=43.56, KEGG ID=, CAS \
ID=54024-22-5 ]", "54024-22-5"}}, {402.2882, 14.268779, "Meta"} -> 
    {{3035661, 1283456, 837046}, {"", ""}}, {359.2815, 14.267722, "Meta"} -> 
    {{1.54*^7, 9733798, 1.08*^7}, {"", ""}}, {272.1768, 14.267366, "Meta"} -> 
    {{33960, 17046, 20213}, {"5,8,11-octadecatriynoic acid [ C18 H24 O2, \
db=55.08, overall=27.54, Lipid ID=, KEGG ID= ]", ""}}, 
   {390.3498, 14.261562, "Meta"} -> {{34991, 1, 25426}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=62.19, overall=31.10, \
Lipid ID=, KEGG ID= ]", ""}}, {440.2236, 14.264084, "Meta"} -> 
    {{69863, 53704, 38937}, {"", ""}}, {458.1971, 14.265822, "Meta"} -> 
    {{35593, 25782, 18638}, {"", ""}}, {722.4598, 14.266535, "Meta"} -> 
    {{52993, 25640, 1}, {"", ""}}, {698.4571, 14.2792225, "Meta"} -> 
    {{49388, 32849, 26382}, {"", ""}}, {1016.7246, 14.284067, "Meta"} -> 
    {{92624, 67178, 45076}, {"", ""}}, {234.1617, 14.2904, "Meta"} -> 
    {{779778, 43384, 48993}, {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-\
9,11-didehydrovitamin D3 / 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, \
db=69.61, overall=34.81, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {416.2236, 14.286627, "Meta"} -> {{76601, 71275, 55327}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=73.66, \
overall=36.83, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {134.1094, 14.287377, "Meta"} -> {{251905, 194285, 172142}, 
     {"p-Cymene [ C10 H14, db=86.48, overall=43.24, Lipid ID=LMPR01020045, \
KEGG ID=C06575 ]", ""}}, {349.2979, 14.288562, "Meta"} -> 
    {{98766, 67704, 85925}, {"Anandamide (20:3, n-3) [ C22 H39 N O2, \
db=74.63, overall=37.32, Lipid ID=LMFA08040005, KEGG ID= ]", ""}}, 
   {378.288, 14.29039, "Meta"} -> {{1854819, 803618, 541215}, {"", ""}}, 
   {1116.8062, 14.30288, "Meta"} -> {{148738, 123939, 95995}, {"", ""}}, 
   {286.2294, 14.290941, "Meta"} -> {{555364, 370150, 320506}, 
     {"11-cis-Retinol [ C20 H30 O, db=99.50, overall=49.75, Lipid \
ID=LMPR01090005, KEGG ID=C00899 ]", ""}}, {318.255, 14.292167, "Meta"} -> 
    {{6883107, 1.31*^7, 1.04*^7}, {"Allopregnanolone [ C21 H34 O2, db=64.02, \
overall=32.01, Lipid ID=LMST02030130, KEGG ID= ]", ""}}, 
   {1310.9695, 14.290519, "Meta"} -> {{23765, 24050, 1}, {"", ""}}, 
   {434.1969, 14.290781, "Meta"} -> {{28151, 25289, 1}, 
     {"Trp Met Val [ C21 H30 N4 O4 S, db=56.25, overall=28.12 ]", ""}}, 
   {335.2815, 14.294109, "Meta"} -> {{9890475, 7907267, 8616958}, {"", ""}}, 
   {468.3816, 14.297306, "Meta"} -> {{1805453, 2135994, 4032550}, {"", ""}}, 
   {1044.7502, 14.296883, "Meta"} -> {{171383, 150496, 101447}, {"", ""}}, 
   {674.4608, 14.296427, "Meta"} -> {{58507, 119288, 28873}, {"", ""}}, 
   {1022.7092, 14.298482, "Meta"} -> {{1, 55113, 45935}, {"", ""}}, 
   {1963.3293, 14.298726, "Meta"} -> {{37538, 52968, 65367}, {"", ""}}, 
   {577.3202, 14.3007145, "Meta"} -> {{37041, 36312, 28190}, 
     {"dihydro-alpha-ergocryptine [ C32 H43 N5 O5, db=34.25, overall=17.13, \
KEGG ID=, CAS ID= ]", ""}}, {1028.7731, 14.29594, "Meta"} -> 
    {{41053, 42895, 38774}, {"TG(22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z\
)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] [ C69 H104 O6, db=30.37, overall=15.19, \
Lipid ID=LMGL03012602, KEGG ID= ]", ""}}, {468.3218, 14.263261, "Meta"} -> 
    {{27966, 267955, 222581}, {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)\
-9,11-didehydrovitamin D3 / 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, \
db=54.09, overall=27.05, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {1880.2303, 14.295215, "Meta"} -> {{110073, 138685, 1}, {"", ""}}, 
   {562.4212, 14.302342, "Meta"} -> {{2520488, 2548094, 2104514}, {"", ""}}, 
   {952.666, 14.2989645, "Meta"} -> {{47536, 1, 31532}, {"", ""}}, 
   {366.3494, 14.30147, "Meta"} -> {{19280, 14047, 12733}, 
     {"Nervonic acid [ C24 H46 O2, db=79.78, overall=39.89, KEGG ID=, CAS \
ID=506-37-6 ]", "506-37-6"}}, {484.287, 14.291407, "Meta"} -> 
    {{38466, 44454, 35602}, {"", ""}}, {661.7696, 14.304938, "Meta"} -> 
    {{50843, 52999, 59167}, {"", ""}}, {1836.2034, 14.306453, "Meta"} -> 
    {{163724, 151544, 164220}, {"", ""}}, {634.0719, 14.305877, "Meta"} -> 
    {{44866, 39733, 40554}, {"", ""}}, {603.0685, 14.306771, "Meta"} -> 
    {{61358, 1, 66259}, {"", ""}}, {604.7206, 14.3060255, "Meta"} -> 
    {{43821, 46396, 36882}, {"", ""}}, {1748.1512, 14.302379, "Meta"} -> 
    {{309404, 293905, 1}, {"", ""}}, {573.7178, 14.306849, "Meta"} -> 
    {{51055, 53391, 58658}, {"", ""}}, {1792.1765, 14.2968, "Meta"} -> 
    {{231815, 1, 209696}, {"", ""}}, {60.0325, 14.311346, "Meta"} -> 
    {{701274, 243059, 1}, {"Urea [ C H4 N2 O, db=87.29, overall=43.65, KEGG \
ID=C00086, CAS ID=57-13-6 ]", "57-13-6"}}, {968.7169, 14.309335, "Meta"} -> 
    {{109944, 81135, 50554}, {"", ""}}, {1787.222, 14.30246, "Meta"} -> 
    {{167572, 170669, 230051}, {"", ""}}, {559.0424, 14.307241, "Meta"} -> 
    {{35260, 41582, 47877}, {"", ""}}, {590.0455, 14.306272, "Meta"} -> 
    {{41198, 39044, 33793}, {"", ""}}, {1831.2483, 14.304244, "Meta"} -> 
    {{103731, 120969, 175914}, {"", ""}}, {1743.1947, 14.307287, "Meta"} -> 
    {{193678, 233770, 1}, {"", ""}}, {647.0946, 14.304667, "Meta"} -> 
    {{54658, 54687, 65699}, {"", ""}}, {1699.1694, 14.298276, "Meta"} -> 
    {{244830, 262926, 1}, {"", ""}}, {630.768, 14.307372, "Meta"} -> 
    {{1, 65222, 82345}, {"", ""}}, {1665.057, 14.310457, "Meta"} -> 
    {{307216, 221923, 185397}, {"", ""}}, {2012.3074, 14.281552, "Meta"} -> 
    {{1, 43427, 46075}, {"", ""}}, {1924.2563, 14.306934, "Meta"} -> 
    {{97005, 91784, 93962}, {"", ""}}, {1616.0728, 14.3115015, "Meta"} -> 
    {{496132, 475185, 1}, {"", ""}}, {1875.2738, 14.2969675, "Meta"} -> 
    {{75690, 76476, 1}, {"", ""}}, {1550.0645, 14.311656, "Meta"} -> 
    {{630968, 44602, 37449}, {"", ""}}, {648.7473, 14.305516, "Meta"} -> 
    {{46475, 35269, 30196}, {"", ""}}, {1523.0645, 14.315276, "Meta"} -> 
    {{376153, 456284, 666923}, {"", ""}}, {1506.0385, 14.314786, "Meta"} -> 
    {{65424, 71428, 66325}, {"", ""}}, {1462.0117, 14.3143835, "Meta"} -> 
    {{100761, 80667, 67468}, {"", ""}}, {298.2506, 14.321658, "Meta"} -> 
    {{180599, 116052, 134836}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=73.00, overall=36.50, Lipid ID=, KEGG ID= ]", ""}}, 
   {650.4595, 14.318721, "Meta"} -> {{37064, 24463, 19049}, {"", ""}}, 
   {1435.0125, 14.319297, "Meta"} -> {{398502, 475875, 693440}, {"", ""}}, 
   {152.1198, 14.325621, "Meta"} -> {{31085, 24676, 1}, 
     {"Limonene-1,2-epoxide [ C10 H16 O, db=71.21, overall=35.61, Lipid \
ID=LMPR01020046, KEGG ID=C07271 ]", ""}}, {1417.9856, 14.31611, "Meta"} -> 
    {{751083, 742008, 69765}, {"", ""}}, {596.3593, 14.318885, "Meta"} -> 
    {{126569, 113538, 1}, {"", ""}}, {1373.9594, 14.321887, "Meta"} -> 
    {{714933, 712203, 90149}, {"", ""}}, {944.712, 14.3222, "Meta"} -> 
    {{94712, 87457, 47415}, {"", ""}}, {196.1459, 14.323223, "Meta"} -> 
    {{1, 1, 15250}, {"4-dodecynoic acid [ C12 H20 O2, db=55.50, \
overall=27.75, Lipid ID=, KEGG ID= ]", ""}}, 
   {1329.9312, 14.326601, "Meta"} -> {{118303, 653063, 113275}, {"", ""}}, 
   {1346.9602, 14.32572, "Meta"} -> {{360314, 398823, 570576}, {"", ""}}, 
   {626.4591, 14.3310995, "Meta"} -> {{215205, 1, 18867}, {"", ""}}, 
   {244.2189, 14.325999, "Meta"} -> {{129446, 96946, 77994}, {"", ""}}, 
   {325.2979, 14.328285, "Meta"} -> {{45331, 39078, 49549}, 
     {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, db=68.35, overall=34.18, \
KEGG ID=, CAS ID= ]", ""}}, {294.2551, 14.3272505, "Meta"} -> 
    {{1.66*^7, 4351186, 3520938}, {"Sterculic acid [ C19 H34 O2, db=82.34, \
overall=41.17, Lipid ID=LMFA01030190, KEGG ID= ]", ""}}, 
   {262.2296, 14.327582, "Meta"} -> {{602285, 369006, 318527}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=81.28, overall=40.64, Lipid \
ID=, KEGG ID= ]", ""}}, {238.1927, 14.326264, "Meta"} -> 
    {{29891, 1, 17601}, {"3-pentadecynoic acid [ C15 H26 O2, db=57.86, \
overall=28.93, Lipid ID=, KEGG ID= ]", ""}}, {392.2238, 14.332555, "Meta"} -> 
    {{113827, 105865, 87059}, {"6b-Hydroxycortisol [ C22 H32 O6, db=57.81, \
overall=28.91, KEGG ID=, CAS ID=53-35-0 ]", "53-35-0"}}, 
   {1285.907, 14.330352, "Meta"} -> {{607862, 583137, 579512}, {"", ""}}, 
   {198.1614, 14.327666, "Meta"} -> {{1, 65684, 43251}, 
     {"9-lauroleic acid [ C12 H22 O2, db=55.65, overall=27.83, Lipid \
ID=LMFA01030041, KEGG ID= ]", ""}}, {311.2817, 14.328415, "Meta"} -> 
    {{6364277, 4920921, 5106478}, {"", ""}}, {354.2882, 14.326629, "Meta"} -> 
    {{1504421, 1, 595159}, {"", ""}}, {1241.8809, 14.334071, "Meta"} -> 
    {{1, 406899, 464270}, {"", ""}}, {410.1968, 14.332834, "Meta"} -> 
    {{26463, 25831, 21342}, {"", ""}}, {920.7121, 14.328693, "Meta"} -> 
    {{115956, 95686, 56675}, {"", ""}}, {372.3238, 14.330667, "Meta"} -> 
    {{315522, 19767, 40297}, {"13,14-dihydroxy-docosanoic acid [ C22 H44 O4, \
db=92.68, overall=46.34, Lipid ID=, KEGG ID= ]", ""}}, 
   {1180.7678, 14.332838, "Meta"} -> {{134130, 1, 81374}, {"", ""}}, 
   {1214.8828, 14.336967, "Meta"} -> {{239618, 201043, 284252}, {"", ""}}, 
   {1258.907, 14.333887, "Meta"} -> {{168793, 212990, 342604}, {"", ""}}, 
   {1170.852, 14.335778, "Meta"} -> {{115664, 106463, 218561}, {"", ""}}, 
   {1197.8549, 14.342236, "Meta"} -> {{340396, 358636, 102666}, {"", ""}}, 
   {1202.8094, 14.343749, "Meta"} -> {{32533, 42105, 37044}, {"", ""}}, 
   {1246.8376, 14.333188, "Meta"} -> {{326696, 231504, 44194}, {"", ""}}, 
   {1070.7347, 14.356584, "Meta"} -> {{47832, 34779, 32453}, {"", ""}}, 
   {587.9054, 14.341818, "Meta"} -> {{101527, 88144, 1}, {"", ""}}, 
   {754.5154, 14.349834, "Meta"} -> {{116147, 59986, 1}, {"", ""}}, 
   {576.9138, 14.348359, "Meta"} -> {{17771, 126174, 151858}, {"", ""}}, 
   {442.4017, 14.35682, "Meta"} -> {{196304, 81543, 30595}, {"", ""}}, 
   {424.3913, 14.357807, "Meta"} -> {{50728, 17212, 16572}, {"", ""}}, 
   {406.3808, 14.358058, "Meta"} -> {{41577, 17007, 12611}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=83.65, \
overall=41.82, Lipid ID=, KEGG ID= ]", ""}}, 
   {1109.8003, 14.359261, "Meta"} -> {{57010, 1, 78486}, {"", ""}}, 
   {880.6371, 14.358142, "Meta"} -> {{19499, 14578, 1}, {"", ""}}, 
   {854.6613, 14.358676, "Meta"} -> {{35396, 1, 1}, {"", ""}}, 
   {802.5359, 14.362123, "Meta"} -> {{3013590, 2473682, 1}, {"", ""}}, 
   {390.2761, 14.363417, "Meta"} -> {{9444692, 1.01*^7, 2.43*^7}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=96.27, \
overall=48.13, Lipid ID=, KEGG ID= ]", ""}}, {166.0263, 14.363825, "Meta"} -> 
    {{46798, 56953, 58638}, {"Benzoquinoneacetic acid [ C8 H6 O4, db=86.34, \
overall=43.17, HMP ID=HMDB02334, KEGG ID= ]", ""}}, 
   {506.2177, 14.361897, "Meta"} -> {{22586, 27554, 24443}, {"", ""}}, 
   {488.2453, 14.363861, "Meta"} -> {{38092, 48798, 45773}, 
     {"(3a,5b,7a,12a)-3,7-dihydroxy-12-(sulfooxy)cholan-24-oic acid [ C24 H40 \
O8 S, db=80.09, overall=40.05, HMP ID=HMDB02600, KEGG ID= ]", ""}}, 
   {1065.7736, 14.364685, "Meta"} -> {{43152, 51383, 50432}, {"", ""}}, 
   {148.0158, 14.363888, "Meta"} -> {{389307, 473119, 512014}, {"", ""}}, 
   {435.3347, 14.36872, "Meta"} -> {{348685, 701055, 1250356}, {"", ""}}, 
   {260.1407, 14.364168, "Meta"} -> {{26586, 29580, 33761}, {"", ""}}, 
   {510.3212, 14.366528, "Meta"} -> {{172664, 190760, 150350}, 
     {"GPCho(8:0/8:0) [ C24 H49 N O8 P, db=69.20, overall=34.60, Lipid \
ID=LMGP01011251, KEGG ID= ]", ""}}, {421.319, 14.36807, "Meta"} -> 
    {{78601, 102055, 129308}, {"", ""}}, {278.1517, 14.363973, "Meta"} -> 
    {{150632, 163538, 162859}, {"", ""}}, {56.0626, 14.364111, "Meta"} -> 
    {{160372, 183153, 192492}, {"", ""}}, {559.2364, 14.3670025, "Meta"} -> 
    {{53243, 40952, 37482}, {"", ""}}, {707.5107, 14.365907, "Meta"} -> 
    {{55782, 26083, 1}, {"", ""}}, {723.5778, 14.369323, "Meta"} -> 
    {{1, 129942, 128939}, {"", ""}}, {472.2919, 14.36994, "Meta"} -> 
    {{42923, 74719, 89831}, {"", ""}}, {612.496, 14.377229, "Meta"} -> 
    {{72287, 179873, 57033}, {"", ""}}, {693.5309, 14.366889, "Meta"} -> 
    {{100030, 100814, 114523}, {"", ""}}, {311.3178, 14.3759985, "Meta"} -> 
    {{945020, 917269, 964574}, {"", ""}}, {242.1879, 14.379251, "Meta"} -> 
    {{73856, 60266, 76749}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
db=85.66, overall=42.83, Lipid ID=, KEGG ID= ]", ""}}, 
   {206.1667, 14.376665, "Meta"} -> {{46960, 1, 1}, {"", ""}}, 
   {260.1984, 14.38937, "Meta"} -> {{58027, 54206, 48733}, 
     {"3,11-dihydroxy myristoic acid [ C14 H28 O4, db=63.47, overall=31.73, \
Lipid ID=LMFA01050081, KEGG ID= ]", ""}}, {996.7662, 14.379554, "Meta"} -> 
    {{21860, 1, 1}, {"", ""}}, {429.2323, 14.385517, "Meta"} -> 
    {{95250, 49516, 38673}, {"", ""}}, {2021.3699, 14.398199, "Meta"} -> 
    {{1, 46473, 53555}, {"", ""}}, {504.4169, 14.390971, "Meta"} -> 
    {{86588, 90321, 57385}, {"", ""}}, {540.4393, 14.375798, "Meta"} -> 
    {{1664413, 165843, 150954}, {"", ""}}, {890.7617, 14.388518, "Meta"} -> 
    {{145387, 26650, 21308}, {"", ""}}, {298.2869, 14.3915205, "Meta"} -> 
    {{111007, 1, 1}, {"11-methyl-octadecanoic acid [ C19 H38 O2, db=67.14, \
overall=33.57, Lipid ID=, KEGG ID= ]", ""}}, {397.2157, 14.390834, "Meta"} -> 
    {{38118, 21530, 1}, {"", ""}}, {666.5123, 14.391109, "Meta"} -> 
    {{121542, 68732, 63464}, {"", ""}}, {400.2142, 14.393068, "Meta"} -> 
    {{85230, 32880, 30363}, 
     {"Trp Pro Val [ C21 H28 N4 O4, db=30.15, overall=15.08 ]", ""}}, 
   {284.2715, 14.392412, "Meta"} -> {{114997, 124674, 123094}, 
     {"Stearic acid [ C18 H36 O2, db=99.03, overall=49.51, KEGG ID=, CAS \
ID=57-11-4 ]", "57-11-4"}}, {432.2395, 14.391428, "Meta"} -> 
    {{34766, 20215, 19565}, {"", ""}}, {382.2398, 14.392168, "Meta"} -> 
    {{251202, 165615, 135507}, {"", ""}}, {514.3634, 14.388402, "Meta"} -> 
    {{228455, 1, 1}, {"", ""}}, {442.2629, 14.3930025, "Meta"} -> 
    {{70992, 68042, 58933}, {"", ""}}, {457.239, 14.3956, "Meta"} -> 
    {{26876, 19797, 18280}, {"", ""}}, {408.3599, 14.406938, "Meta"} -> 
    {{22059, 31198, 18851}, {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, \
db=75.02, overall=37.51, Lipid ID=, KEGG ID= ]", ""}}, 
   {1938.2709, 14.402037, "Meta"} -> {{114893, 109536, 111466}, {"", ""}}, 
   {250.193, 14.395028, "Meta"} -> {{110134, 83198, 84836}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=73.78, overall=36.89, \
Lipid ID=, KEGG ID= ]", ""}}, {301.2979, 14.39117, "Meta"} -> 
    {{22606, 1, 1}, {"Dihydrosphingosine [ C18 H39 N O2, db=85.23, \
overall=42.62, KEGG ID=C00836, CAS ID=764-22-7 ]", "764-22-7"}}, 
   {522.4279, 14.397862, "Meta"} -> {{239112, 186685, 167832}, {"", ""}}, 
   {1933.3156, 14.403201, "Meta"} -> {{95231, 95196, 111289}, {"", ""}}, 
   {416.2903, 14.408222, "Meta"} -> {{68884, 81588, 68227}, 
     {"(24R,25S)-25,26-epoxy-1alpha,24-dihydroxy-27-norvitamin D3 / \
(24R,25S)-25,26-epoxy-1alpha,24-dihydro [ C26 H40 O4, db=47.47, \
overall=23.74, Lipid ID=LMST03020037, KEGG ID= ]", ""}}, 
   {566.3937, 14.392841, "Meta"} -> {{126273, 1, 1}, {"", ""}}, 
   {474.37, 14.399874, "Meta"} -> {{102615, 261586, 101526}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=85.87, \
overall=42.94, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {612.4365, 14.406086, "Meta"} -> {{342398, 173845, 279427}, {"", ""}}, 
   {470.3972, 14.407165, "Meta"} -> {{52957, 131314, 157025}, {"", ""}}, 
   {1850.2188, 14.408482, "Meta"} -> {{201773, 1, 1}, {"", ""}}, 
   {566.4545, 14.401355, "Meta"} -> {{1, 525371, 528703}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=61.55, overall=30.77, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {443.3973, 14.4052, "Meta"} -> 
    {{92800, 81129, 68910}, {"", ""}}, {681.1175, 14.41128, "Meta"} -> 
    {{34471, 30846, 34779}, {"", ""}}, {1899.2042, 14.408434, "Meta"} -> 
    {{114367, 62722, 61833}, {"", ""}}, {1943.2288, 14.400298, "Meta"} -> 
    {{81832, 51552, 51622}, {"", ""}}, {664.7895, 14.409922, "Meta"} -> 
    {{51137, 34406, 47626}, {"", ""}}, {448.3536, 14.37326, "Meta"} -> 
    {{766249, 1, 1}, {"Teasterone [ C28 H48 O4, db=51.26, overall=25.63, \
Lipid ID=LMST01030121, KEGG ID= ]", ""}}, {1806.1923, 14.411065, "Meta"} -> 
    {{222201, 210612, 182299}, {"", ""}}, {486.4034, 14.407399, "Meta"} -> 
    {{20054, 56435, 49585}, {"1alpha,25-dihydroxy-2beta-pentylvitamin D3 / \
1alpha,25-dihydroxy-2beta-pentylcholecalciferol [ C32 H54 O3, db=34.55, \
overall=17.27, Lipid ID=LMST03020520, KEGG ID= ]", ""}}, 
   {1855.1772, 14.401386, "Meta"} -> {{1, 79576, 51553}, {"", ""}}, 
   {651.7665, 14.412334, "Meta"} -> {{46955, 41469, 53446}, {"", ""}}, 
   {593.0646, 14.419587, "Meta"} -> {{26518, 39432, 36591}, {"", ""}}, 
   {370.3077, 14.410557, "Meta"} -> {{1.19*^7, 3831753, 737354}, 
     {"Docosanedioic acid [ C22 H42 O4, db=97.13, overall=48.56, Lipid \
ID=LMFA01170037, KEGG ID= ]", ""}}, {404.3647, 14.4150305, "Meta"} -> 
    {{99210, 44793, 35639}, {"5beta-Cholestane-3alpha,7alpha-diol [ C27 H48 \
O2, db=79.14, overall=39.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {1757.2117, 14.41254, "Meta"} -> {{206116, 203186, 238248}, {"", ""}}, 
   {1801.2352, 14.410735, "Meta"} -> {{160163, 149973, 195452}, {"", ""}}, 
   {1811.1512, 14.408364, "Meta"} -> {{136079, 85821, 75987}, {"", ""}}, 
   {1762.1667, 14.414145, "Meta"} -> {{255685, 225453, 247498}, {"", ""}}, 
   {390.3488, 14.408688, "Meta"} -> {{72712, 81688, 83416}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=54.78, overall=27.39, \
Lipid ID=, KEGG ID= ]", ""}}, {583.4808, 14.395259, "Meta"} -> 
    {{32342, 31710, 1}, {"", ""}}, {637.0912, 14.41594, "Meta"} -> 
    {{52529, 44940, 52917}, {"", ""}}, {511.4232, 14.415657, "Meta"} -> 
    {{79487, 84162, 88113}, {"", ""}}, {387.335, 14.411082, "Meta"} -> 
    {{698731, 317317, 110043}, {"", ""}}, {470.097, 14.418974, "Meta"} -> 
    {{1.47*^7, 4240457, 7900243}, {"", ""}}, {493.0873, 14.415969, "Meta"} -> 
    {{84188, 41146, 85045}, {"", ""}}, {1723.0979, 14.419501, "Meta"} -> 
    {{193722, 111442, 98085}, {"", ""}}, {1625.133, 14.422751, "Meta"} -> 
    {{262325, 1, 1}, {"", ""}}, {1630.0883, 14.423135, "Meta"} -> 
    {{353830, 307352, 330342}, {"", ""}}, {1635.048, 14.425599, "Meta"} -> 
    {{214942, 147371, 138007}, {"", ""}}, {1586.0623, 14.426733, "Meta"} -> 
    {{382049, 362133, 358332}, {"", ""}}, {447.2265, 14.425441, "Meta"} -> 
    {{40168, 1, 39265}, 
     {"Ser Arg Trp [ C20 H29 N7 O5, db=50.01, overall=25.00 ]", ""}}, 
   {1581.1057, 14.426365, "Meta"} -> {{284107, 308677, 343486}, {"", ""}}, 
   {404.3037, 14.428638, "Meta"} -> {{1437027, 659311, 538152}, {"", ""}}, 
   {1542.0363, 14.429039, "Meta"} -> {{373029, 1, 365975}, {"", ""}}, 
   {375.3134, 14.427285, "Meta"} -> {{42545, 51558, 52595}, 
     {"N-(1,1-dimethyl-2-hydroxy-ethyl) arachidonoyl amine [ C24 H41 N O2, \
db=81.75, overall=40.88, Lipid ID=LMFA08020019, KEGG ID= ]", ""}}, 
   {1591.0197, 14.430484, "Meta"} -> {{213991, 139485, 126904}, {"", ""}}, 
   {361.2974, 14.432083, "Meta"} -> {{7017374, 5402975, 4531604}, 
     {"N-methyl N-(2-hydroxy-ethyl) arachidonoyl amine [ C23 H39 N O2, \
db=97.58, overall=48.79, Lipid ID=LMFA08020025, KEGG ID= ]", ""}}, 
   {344.2712, 14.433056, "Meta"} -> {{9159347, 972187, 3901846}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=99.04, \
overall=49.52, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {1546.9941, 14.433572, "Meta"} -> {{239437, 162033, 148522}, {"", ""}}, 
   {1476.0247, 14.427167, "Meta"} -> {{436401, 51419, 52533}, {"", ""}}, 
   {506.4327, 14.461076, "Meta"} -> {{29407, 27119, 57436}, {"", ""}}, 
   {1502.967, 14.438209, "Meta"} -> {{210943, 144066, 144091}, {"", ""}}, 
   {420.3577, 14.4446125, "Meta"} -> {{116507, 45076, 43016}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=65.27, \
overall=32.64, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {1387.9729, 14.434806, "Meta"} -> {{71921, 70976, 346024}, {"", ""}}, 
   {1493.0544, 14.434714, "Meta"} -> {{249109, 310354, 328725}, {"", ""}}, 
   {511.2607, 14.419092, "Meta"} -> {{39869, 63606, 65555}, {"", ""}}, 
   {1449.0283, 14.43929, "Meta"} -> {{224587, 254194, 285513}, {"", ""}}, 
   {380.3653, 14.448362, "Meta"} -> {{137888, 65148, 43857}, 
     {"17Z-pentacosenoic acid [ C25 H48 O2, db=96.33, overall=48.17, Lipid \
ID=, KEGG ID= ]", ""}}, {1405.001, 14.443967, "Meta"} -> 
    {{199079, 234880, 233868}, {"CL(1'-[16:0/18:1(11Z)],3'-[16:0/18:1(11Z)]) \
[ C77 H146 O17 P2, db=86.52, overall=43.26, Lipid ID=LMGP12010006, KEGG ID= \
]", ""}}, {1321.905, 14.456001, "Meta"} -> {{206318, 179128, 173079}, 
     {"", ""}}, {1316.9497, 14.455285, "Meta"} -> {{157552, 178186, 168189}, 
     {"", ""}}, {438.3322, 14.440999, "Meta"} -> {{28037, 72096, 68370}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=78.36, \
overall=39.18, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {1277.8792, 14.461234, "Meta"} -> {{147983, 126039, 133254}, {"", ""}}, 
   {1118.9772, 14.463029, "Meta"} -> {{106387, 62150, 64670}, {"", ""}}, 
   {636.9634, 14.461871, "Meta"} -> {{29846, 38667, 35762}, {"", ""}}, 
   {848.7128, 14.462386, "Meta"} -> {{30119, 21068, 16347}, {"", ""}}, 
   {1238.8083, 14.467372, "Meta"} -> {{69531, 47221, 53707}, {"", ""}}, 
   {270.2551, 14.466167, "Meta"} -> {{2.2*^7, 9912043, 7014670}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=94.77, overall=47.38, \
Lipid ID=, KEGG ID= ]", ""}}, {287.2824, 14.466778, "Meta"} -> 
    {{1688379, 959591, 687333}, {"C17 Sphinganine [ C17 H37 N O2, db=99.39, \
overall=49.69, Lipid ID=LMSP01040003, KEGG ID= ]", ""}}, 
   {400.334, 14.474161, "Meta"} -> {{374444, 79960, 68208}, 
     {"(5E)-1alpha-hydroxy-3-epivitamin D_3 / \
(5E)-1alpha-hydroxy-3-epicholecalciferol [ C27 H44 O2, db=88.78, \
overall=44.39, Lipid ID=LMST03020234, KEGG ID= ]", ""}}, 
   {1194.7839, 14.473861, "Meta"} -> {{52016, 22216, 1}, {"", ""}}, 
   {1168.9875, 14.479252, "Meta"} -> {{35726, 20469, 1}, {"", ""}}, 
   {330.2883, 14.466946, "Meta"} -> {{427247, 181181, 205147}, {"", ""}}, 
   {320.2708, 14.478832, "Meta"} -> {{1.34*^7, 6955631, 5369735}, 
     {"3a,20b-Pregnanediol [ C21 H36 O2, db=92.32, overall=46.16, HMP \
ID=HMDB02156, KEGG ID= ]", ""}}, {684.1372, 14.495041, "Meta"} -> 
    {{1, 1, 39768}, {"", ""}}, {418.2392, 14.489999, "Meta"} -> 
    {{40454, 25425, 29668}, 
     {"Met Arg Leu [ C17 H34 N6 O4 S, db=55.58, overall=27.79 ]", ""}}, 
   {337.2972, 14.478779, "Meta"} -> {{8754559, 5554408, 3804234}, {"", ""}}, 
   {948.7409, 14.486519, "Meta"} -> {{136536, 74102, 1}, {"", ""}}, 
   {288.2448, 14.4851265, "Meta"} -> {{87852, 1, 49562}, 
     {"8-[5]-ladderane-1-octanol [ C20 H32 O, db=62.66, overall=31.33, Lipid \
ID=, KEGG ID= ]", ""}}, {380.3036, 14.478943, "Meta"} -> 
    {{992025, 438807, 417547}, {"", ""}}, {351.3139, 14.491401, "Meta"} -> 
    {{58494, 46604, 40928}, {"Anandamide (20:2, n-6) [ C22 H41 N O2, \
db=69.92, overall=34.96, Lipid ID=LMFA08040002, KEGG ID= ]", ""}}, 
   {1124.8135, 14.482899, "Meta"} -> {{69649, 61797, 57383}, {"", ""}}, 
   {654.7867, 14.500103, "Meta"} -> {{32965, 44495, 51577}, {"", ""}}, 
   {671.1134, 14.4969425, "Meta"} -> {{44945, 42182, 45229}, {"", ""}}, 
   {645.3889, 14.488171, "Meta"} -> {{1, 78945, 73473}, {"", ""}}, 
   {426.2745, 14.497218, "Meta"} -> {{967386, 53561, 43391}, 
     {"(23S)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone [ C27 H38 \
O4, db=63.52, overall=31.76, Lipid ID=LMST03020599, KEGG ID= ]", ""}}, 
   {685.7893, 14.4935665, "Meta"} -> {{47511, 1, 47777}, {"", ""}}, 
   {1947.3323, 14.498856, "Meta"} -> {{75155, 1, 56982}, {"", ""}}, 
   {1996.3118, 14.491321, "Meta"} -> {{68553, 52595, 71233}, {"", ""}}, 
   {641.7627, 14.502058, "Meta"} -> {{45359, 46307, 43177}, {"", ""}}, 
   {636.4919, 14.474574, "Meta"} -> {{252012, 1, 1}, {"", ""}}, 
   {2040.3385, 14.493648, "Meta"} -> {{46789, 44866, 67285}, {"", ""}}, 
   {627.0879, 14.50506, "Meta"} -> {{43302, 41276, 39347}, {"", ""}}, 
   {1991.3583, 14.495925, "Meta"} -> {{63842, 61335, 45799}, {"", ""}}, 
   {494.3971, 14.493335, "Meta"} -> {{189839, 1075225, 984171}, {"", ""}}, 
   {592.4704, 14.502999, "Meta"} -> {{2348939, 1, 1347282}, {"", ""}}, 
   {919.681, 14.505394, "Meta"} -> {{21280, 19945, 28854}, {"", ""}}, 
   {807.8639, 14.509769, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1903.3048, 14.502486, "Meta"} -> {{69967, 85370, 51827}, {"", ""}}, 
   {793.1883, 14.512266, "Meta"} -> {{40654, 1, 1}, {"", ""}}, 
   {1952.2863, 14.502277, "Meta"} -> {{83655, 1, 95755}, {"", ""}}, 
   {1869.194, 14.502086, "Meta"} -> {{87648, 42429, 53180}, {"", ""}}, 
   {1908.2607, 14.504808, "Meta"} -> {{126244, 105626, 91044}, {"", ""}}, 
   {1820.2089, 14.511034, "Meta"} -> {{153885, 1, 147439}, {"", ""}}, 
   {963.707, 14.513001, "Meta"} -> {{1, 18896, 25269}, {"", ""}}, 
   {1781.1418, 14.511568, "Meta"} -> {{114831, 74193, 110485}, {"", ""}}, 
   {1776.1823, 14.514804, "Meta"} -> {{1, 139985, 155158}, {"", ""}}, 
   {386.3397, 14.511031, "Meta"} -> {{618789, 1, 94596}, 
     {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=96.95, overall=48.47, KEGG \
ID=, CAS ID= ]", ""}}, {1815.2509, 14.512214, "Meta"} -> 
    {{118069, 1, 113905}, {"", ""}}, {252.2088, 14.522425, "Meta"} -> 
    {{31101, 27047, 22597}, {"2E,4E-hexadecadienoic acid [ C16 H28 O2, \
db=60.20, overall=30.10, Lipid ID=, KEGG ID= ]", ""}}, 
   {1771.2264, 14.515609, "Meta"} -> {{1, 146030, 141077}, {"", ""}}, 
   {294.2194, 14.478001, "Meta"} -> {{15492, 1, 1}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=80.00, overall=40.00, \
Lipid ID=, KEGG ID= ]", ""}}, {546.4281, 14.479806, "Meta"} -> 
    {{72437, 349897, 359921}, {"", ""}}, {749.1626, 14.516725, "Meta"} -> 
    {{25653, 40176, 1}, {"", ""}}, {596.4413, 14.516907, "Meta"} -> 
    {{185003, 111420, 164588}, {"", ""}}, {278.2243, 14.527305, "Meta"} -> 
    {{317513, 288507, 218103}, {"beta-eleostearic acid [ C18 H30 O2, \
db=62.70, overall=31.35, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {763.8373, 14.514566, "Meta"} -> {{1, 25396, 1}, {"", ""}}, 
   {276.2084, 14.51291, "Meta"} -> {{1, 1, 31455}, {"3,6-octadecadiynoic acid \
[ C18 H28 O2, db=79.59, overall=39.79, Lipid ID=, KEGG ID= ]", ""}}, 
   {1222.882, 14.507078, "Meta"} -> {{50602, 87257, 1}, {"", ""}}, 
   {1693.0908, 14.519001, "Meta"} -> {{116849, 1, 85914}, {"", ""}}, 
   {1683.1736, 14.522961, "Meta"} -> {{167773, 1, 167388}, {"", ""}}, 
   {576.4755, 14.530964, "Meta"} -> {{761176, 760947, 733913}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C36 H64 \
O5, db=81.99, overall=40.99, KEGG ID=, CAS ID= ]", ""}}, 
   {1112.8135, 14.532041, "Meta"} -> {{37019, 1, 37007}, {"", ""}}, 
   {1551.0957, 14.537624, "Meta"} -> {{154311, 1, 1}, {"", ""}}, 
   {1507.0687, 14.543251, "Meta"} -> {{152164, 1, 133327}, {"", ""}}, 
   {1463.0459, 14.548631, "Meta"} -> {{92303, 131160, 102673}, {"", ""}}, 
   {412.2124, 14.560958, "Meta"} -> {{20000, 23531, 14541}, {"", ""}}, 
   {264.2448, 14.558638, "Meta"} -> {{132857, 72169, 58580}, 
     {"9,12-octadecadienal [ C18 H32 O, db=90.59, overall=45.30, Lipid ID=, \
KEGG ID= ]", ""}}, {296.2707, 14.557776, "Meta"} -> 
    {{1.2*^7, 7017179, 5641138}, {"10-methylene-octadecanoic acid [ C19 H36 \
O2, db=84.40, overall=42.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {394.2399, 14.56191, "Meta"} -> {{72570, 65555, 53801}, {"", ""}}, 
   {356.3036, 14.558113, "Meta"} -> {{355448, 306323, 308388}, {"", ""}}, 
   {313.2974, 14.558834, "Meta"} -> {{3263925, 2839652, 1917124}, 
     {"N-(2-hydroxyethyl)heptadecanamide [ C19 H39 N O2, db=99.60, \
overall=49.80, KEGG ID=, CAS ID= ]", ""}}, {327.3145, 14.5584135, "Meta"} -> 
    {{17095, 24058, 19071}, {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, \
db=63.74, overall=31.87, KEGG ID=, CAS ID= ]", ""}}, 
   {496.4124, 14.55775, "Meta"} -> {{76207, 72957, 58426}, {"", ""}}, 
   {1330.9644, 14.569345, "Meta"} -> {{59052, 1, 49144}, {"", ""}}, 
   {1224.9006, 14.558654, "Meta"} -> {{1, 1, 93266}, {"", ""}}, 
   {719.8112, 14.559839, "Meta"} -> {{1, 30046, 38473}, {"", ""}}, 
   {323.3189, 14.573417, "Meta"} -> {{767181, 139020, 138032}, {"", ""}}, 
   {2054.3523, 14.574896, "Meta"} -> {{49883, 49330, 52593}, {"", ""}}, 
   {563.4318, 14.564408, "Meta"} -> {{1470335, 247520, 161411}, {"", ""}}, 
   {827.2118, 14.585125, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {387.3137, 14.578861, "Meta"} -> {{112927, 173017, 123151}, {"", ""}}, 
   {1128.8441, 14.582754, "Meta"} -> {{53983, 1, 57210}, {"", ""}}, 
   {180.1507, 14.5836115, "Meta"} -> {{1, 48970, 42947}, 
     {"3,6,8-dodecatrien-1-ol [ C12 H20 O, db=70.80, overall=35.40, Lipid \
ID=, KEGG ID= ]", ""}}, {435.3027, 14.588826, "Meta"} -> 
    {{59496, 79607, 33966}, {"", ""}}, {394.3806, 14.587612, "Meta"} -> 
    {{66306, 41545, 34046}, {"Ximenic acid [ C26 H50 O2, db=85.28, \
overall=42.64, Lipid ID=LMFA01030095, KEGG ID= ]", ""}}, 
   {337.3338, 14.585556, "Meta"} -> {{6556894, 8346549, 3253310}, {"", ""}}, 
   {198.1615, 14.583165, "Meta"} -> {{123751, 171386, 167953}, 
     {"9-lauroleic acid [ C12 H22 O2, db=95.30, overall=47.65, Lipid \
ID=LMFA01030041, KEGG ID= ]", ""}}, {457.3779, 14.587459, "Meta"} -> 
    {{29290, 69384, 39435}, {"", ""}}, {397.3668, 14.5889435, "Meta"} -> 
    {{358706, 815019, 513772}, {"", ""}}, {518.3949, 14.583486, "Meta"} -> 
    {{202863, 460686, 524625}, {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)\
vitamin D3 / 1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, \
db=54.02, overall=27.01, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {382.3923, 14.588941, "Meta"} -> {{48062, 264817, 92285}, {"", ""}}, 
   {618.6064, 14.58071, "Meta"} -> {{45103, 83920, 41984}, {"", ""}}, 
   {2010.329, 14.5813465, "Meta"} -> {{60405, 1, 66669}, {"", ""}}, 
   {749.5934, 14.587584, "Meta"} -> {{21986, 130174, 66077}, {"", ""}}, 
   {434.3736, 14.585371, "Meta"} -> {{31456, 30490, 37904}, 
     {"6-deoxoteasterone [ C28 H50 O3, db=57.43, overall=28.72, Lipid \
ID=LMST01030120, KEGG ID= ]", ""}}, {368.3762, 14.587169, "Meta"} -> 
    {{22447, 51196, 29737}, {"", ""}}, {675.7857, 14.585401, "Meta"} -> 
    {{35681, 33953, 35813}, {"", ""}}, {570.4849, 14.596359, "Meta"} -> 
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    {{1, 72576, 1}, {"", ""}}, {643.4046, 14.619277, "Meta"} -> 
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   {558.4647, 14.630633, "Meta"} -> {{121722, 263019, 245754}, {"", ""}}, 
   {587.268, 14.647654, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {594.4864, 14.647084, "Meta"} -> {{2747337, 1.13*^7, 4305212}, 
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    {{1110238, 103522, 54839}, {"GPCho(16:0/2:0[U]) [ C26 H53 N O8 P, \
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   {1241.8918, 14.621572, "Meta"} -> {{68659, 1, 122465}, {"", ""}}, 
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   {477.3818, 14.653285, "Meta"} -> {{1667644, 172828, 73074}, {"", ""}}, 
   {284.2714, 14.654392, "Meta"} -> {{612730, 392249, 260879}, 
     {"Stearic acid [ C18 H36 O2, db=98.08, overall=49.04, KEGG ID=, CAS \
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    {{131514, 338096, 331663}, {"", ""}}, {576.4755, 14.647612, "Meta"} -> 
    {{367639, 777439, 650166}, {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadieno\
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     {"5beta-Cholestane-3alpha,7alpha-diol [ C27 H48 O2, db=61.38, \
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   {1228.9321, 14.649517, "Meta"} -> {{288937, 315213, 362910}, {"", ""}}, 
   {301.298, 14.656277, "Meta"} -> {{72281, 88303, 47805}, 
     {"Dihydrosphingosine [ C18 H39 N O2, db=96.01, overall=48.00, KEGG \
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    {{528110, 1, 1}, {"2,4,6-Heptatrienoic acid, \
5-methyl-7-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-, (2E,4E,6E)- [ C17 H22 \
O3, db=85.11, overall=42.55, KEGG ID=, CAS ID=230976-85-9 ]", 
      "230976-85-9"}}, {504.4172, 14.684583, "Meta"} -> 
    {{35155, 71116, 103331}, {"", ""}}, {572.4439, 14.696446, "Meta"} -> 
    {{140047, 307552, 338069}, {"", ""}}, {420.3589, 14.700999, "Meta"} -> 
    {{12893, 14991, 51067}, {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, \
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   {672.5206, 14.677082, "Meta"} -> {{4723994, 655215, 521981}, {"", ""}}, 
   {1980.3177, 14.679613, "Meta"} -> {{1, 36792, 49630}, {"", ""}}, 
   {339.3138, 14.689998, "Meta"} -> {{410268, 682919, 668227}, {"", ""}}, 
   {322.2869, 14.6890545, "Meta"} -> {{508897, 654378, 469023}, 
     {"18-methyl-5Z,9Z-eicosadienoic acid [ C21 H38 O2, db=89.79, \
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    {{85670, 308364, 726135}, {"", ""}}, {710.4678, 14.679098, "Meta"} -> 
    {{149150, 64759, 34625}, {"", ""}}, {382.3195, 14.691675, "Meta"} -> 
    {{56397, 131331, 97720}, {"", ""}}, {1931.3354, 14.685877, "Meta"} -> 
    {{51038, 52426, 1}, {"", ""}}, {690.5313, 14.693032, "Meta"} -> 
    {{183405, 34390, 28476}, {"", ""}}, {1892.2664, 14.69138, "Meta"} -> 
    {{50760, 37055, 41313}, {"", ""}}, {410.3753, 14.702883, "Meta"} -> 
    {{29307, 45180, 34603}, {"", ""}}, {658.4167, 14.70937, "Meta"} -> 
    {{55847, 121029, 66819}, {"", ""}}, {652.4213, 14.713416, "Meta"} -> 
    {{28412, 417916, 532903}, {"", ""}}, {316.2608, 14.722626, "Meta"} -> 
    {{599114, 618963, 494435}, {"7,8-dihydroxy stearic acid [ C18 H36 O4, \
db=57.03, overall=28.52, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {618.4829, 14.717896, "Meta"} -> {{1, 1.02*^7, 8434320}, {"", ""}}, 
   {464.3117, 14.712481, "Meta"} -> {{1, 21149, 28755}, 
     {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic \
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   {627.543, 14.723062, "Meta"} -> {{1, 50485, 24811}, {"", ""}}, 
   {298.2502, 14.720165, "Meta"} -> {{1.12*^7, 2249563, 2041870}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=96.33, overall=48.16, \
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    {{472892, 565359, 373718}, {"24-Nor-5beta-cholane-3alpha,7alpha,23-triol \
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   {787.8574, 14.717876, "Meta"} -> {{28338, 1, 1}, {"", ""}}, 
   {1248.9193, 14.717847, "Meta"} -> {{69151, 59809, 60164}, {"", ""}}, 
   {1214.9626, 14.718625, "Meta"} -> {{1, 27158, 37473}, {"", ""}}, 
   {262.2295, 14.721832, "Meta"} -> {{80459, 105463, 85965}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=86.76, overall=43.38, Lipid \
ID=, KEGG ID= ]", ""}}, {280.2403, 14.721973, "Meta"} -> 
    {{1576259, 1959941, 1587876}, {"13E,17-octadecadienoic acid [ C18 H32 O2, \
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   {641.5592, 14.724205, "Meta"} -> {{30553, 119758, 63313}, {"", ""}}, 
   {1230.9482, 14.721404, "Meta"} -> {{170917, 175865, 167474}, {"", ""}}, 
   {613.5278, 14.712639, "Meta"} -> {{85978, 1, 1}, {"", ""}}, 
   {895.2569, 14.730208, "Meta"} -> {{27594, 1, 1}, {"", ""}}, 
   {878.9283, 14.734208, "Meta"} -> {{53742, 1, 1}, {"", ""}}, 
   {548.4439, 14.7357, "Meta"} -> {{1, 250343, 245617}, {"", ""}}, 
   {660.5212, 14.728284, "Meta"} -> {{1426117, 207152, 182138}, {"", ""}}, 
   {327.314, 14.733674, "Meta"} -> {{47149, 35906, 18622}, 
     {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, db=66.95, overall=33.47, \
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    {{82550, 49003, 35797}, {"trans-gondoic acid [ C20 H38 O2, db=60.53, \
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   {583.4811, 14.737029, "Meta"} -> {{50702, 59853, 51840}, {"", ""}}, 
   {600.472, 14.752064, "Meta"} -> {{1, 190539, 203047}, 
     {"1-(9Z,12Z-heptadecadienoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero\
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   {716.5471, 14.760383, "Meta"} -> {{599166, 93544, 117794}, {"", ""}}, 
   {389.3293, 14.748772, "Meta"} -> {{1, 350692, 170876}, 
     {"(-)N-(1R-methyl-2-hydroxy-ethyl) alpha,alpha-dimethylarachidonoyl \
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ID= ]", ""}}, {372.3025, 14.74882, "Meta"} -> {{271479, 1, 17400}, {"", ""}}, 
   {574.4596, 14.754307, "Meta"} -> {{1107906, 1692387, 1541646}, {"", ""}}, 
   {242.1877, 14.760484, "Meta"} -> {{45540, 19351, 16270}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=56.38, \
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    {{156229, 93546, 77561}, {"", ""}}, {438.3706, 14.765166, "Meta"} -> 
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     {"1alpha-hydroxy-24-methylvitamin D2 / \
1alpha-hydroxy-24-methylergocalciferol [ C29 H46 O2, db=63.34, overall=31.67, \
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    {{742346, 71269, 35937}, {"", ""}}, {630.3825, 14.770709, "Meta"} -> 
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    {{1004209, 162089, 139294}, {"", ""}}, {298.2872, 14.814419, "Meta"} -> 
    {{1.19*^7, 6364627, 4243154}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
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   {315.3136, 14.814669, "Meta"} -> {{3899187, 1839776, 983627}, {"", ""}}, 
   {412.2589, 14.804344, "Meta"} -> {{678625, 361791, 218484}, {"", ""}}, 
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   {1309.0577, 14.831959, "Meta"} -> {{67186, 29017, 21398}, {"", ""}}, 
   {1010.7714, 14.841031, "Meta"} -> {{249625, 115475, 70154}, {"", ""}}, 
   {861.6182, 14.853371, "Meta"} -> {{1, 281824, 228560}, 
     {"Galabiosylceramide (d18:1/16:0) [ C46 H87 N O13, db=96.56, \
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   {339.3499, 14.845642, "Meta"} -> {{73400, 106329, 52352}, 
     {"Docosanamide [ C22 H45 N O, db=95.67, overall=47.83, HMP ID=HMDB00583, \
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    {{1, 39309, 115558}, {"", ""}}, {656.5257, 14.851055, "Meta"} -> 
    {{110094, 63120, 41872}, {"", ""}}, {1246.9775, 14.836859, "Meta"} -> 
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   {790.4836, 14.8502035, "Meta"} -> {{59272, 101483, 55110}, 
     {"Bis-[2-lyso-3-arachidonoyl-sn-glycerol]-1-phosphate [ C44 H71 O10 P, \
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   {787.4786, 14.851057, "Meta"} -> {{113454, 90411, 67885}, {"", ""}}, 
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   {468.3215, 14.851771, "Meta"} -> {{164549, 284558, 245770}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
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    {{109488, 23168, 78793}, {"", ""}}, {341.3288, 14.878036, "Meta"} -> 
    {{155205, 116822, 1}, {"", ""}}, {324.3027, 14.878835, "Meta"} -> 
    {{230192, 205179, 108170}, {"2-propyl-9Z-octadecenoic Acid [ C21 H40 O2, \
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   {365.3654, 14.881139, "Meta"} -> {{129155, 210045, 64039}, {"", ""}}, 
   {424.3554, 14.882167, "Meta"} -> {{6951489, 1823332, 1.62*^7}, {"", ""}}, 
   {598.4571, 14.955258, "Meta"} -> {{147865, 115069, 145675}, {"", ""}}, 
   {391.3446, 14.895251, "Meta"} -> {{1, 48933, 20390}, {"", ""}}, 
   {658.2433, 14.953439, "Meta"} -> {{24997, 1, 24120}, {"", ""}}, 
   {720.5765, 14.894582, "Meta"} -> {{170442, 78319, 46639}, {"", ""}}, 
   {351.3499, 14.902113, "Meta"} -> {{240453, 68301, 57293}, {"", ""}}, 
   {1413.0363, 14.894115, "Meta"} -> {{209357, 88841, 52299}, {"", ""}}, 
   {1296.9957, 14.909416, "Meta"} -> {{47548, 27895, 1}, {"", ""}}, 
   {1299.0092, 14.927766, "Meta"} -> {{457430, 371388, 209243}, {"", ""}}, 
   {1454.0242, 14.914153, "Meta"} -> {{1, 100392, 68463}, {"", ""}}, 
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   {722.5224, 14.915698, "Meta"} -> {{1, 52840, 47069}, {"", ""}}, 
   {1252.9672, 14.923705, "Meta"} -> {{57959, 39206, 1}, {"", ""}}, 
   {700.5531, 14.915303, "Meta"} -> {{5.97*^7, 1.83*^7, 1.37*^7}, {"", ""}}, 
   {798.5251, 14.918499, "Meta"} -> {{317534, 270750, 227958}, {"", ""}}, 
   {869.5117, 14.918613, "Meta"} -> {{184645, 82360, 56896}, {"", ""}}, 
   {1457.028, 14.91376, "Meta"} -> {{1, 129505, 94968}, {"", ""}}, 
   {682.5412, 14.914805, "Meta"} -> {{100303, 63207, 53189}, {"", ""}}, 
   {813.4938, 14.918886, "Meta"} -> {{115071, 100805, 86164}, {"", ""}}, 
   {718.562, 14.911038, "Meta"} -> {{205497, 16201, 65563}, {"", ""}}, 
   {753.4737, 14.916138, "Meta"} -> {{211250, 122350, 82679}, {"", ""}}, 
   {914.7343, 14.930177, "Meta"} -> {{192210, 142589, 135437}, 
     {"TG(17:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] [ C60 H98 \
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   {428.3655, 14.930514, "Meta"} -> {{3139240, 1425803, 1331469}, 
     {"25-hydroxy-26,27-dimethylvitamin D3 / \
25-hydroxy-26,27-dimethylcholecalciferol [ C29 H48 O2, db=98.81, \
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   {858.6343, 14.935901, "Meta"} -> {{40849, 57278, 50882}, {"", ""}}, 
   {491.4338, 14.930941, "Meta"} -> {{176560, 74426, 57694}, {"", ""}}, 
   {468.3579, 14.935543, "Meta"} -> {{1087626, 1019012, 966013}, 
     {"1alpha,25-dihydroxy-26,27-dimethyl-22,22,23,23-tetradehydro-24a,24b-di\
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    {{1, 88600, 28724}, {"", ""}}, {576.4755, 14.971321, "Meta"} -> 
    {{138163, 286376, 276436}, {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadieno\
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   {1287.0085, 14.963088, "Meta"} -> {{224294, 91185, 42382}, {"", ""}}, 
   {747.6484, 14.962824, "Meta"} -> {{74917, 141075, 138298}, {"", ""}}, 
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   {744.4723, 14.964235, "Meta"} -> {{127216, 52842, 42197}, {"", ""}}, 
   {688.5515, 14.964059, "Meta"} -> {{2.1*^7, 4808755, 3736815}, 
     {"Etn-1-P-Cer(d14:1/18:0) [ C38 H77 N2 O6 P, db=98.24, overall=49.12, \
Lipid ID=LMSP03020001, KEGG ID= ]", ""}}, {726.4995, 14.96664, "Meta"} -> 
    {{1, 192262, 164279}, {"", ""}}, {509.4806, 14.9780655, "Meta"} -> 
    {{86183, 37659, 18608}, {"Cer(d18:1/14:0) [ C32 H63 N O3, db=92.56, \
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   {430.1711, 14.9816675, "Meta"} -> {{78290, 172716, 195867}, {"", ""}}, 
   {430.3446, 14.98436, "Meta"} -> {{644895, 307066, 268802}, 
     {"2beta-methyl-1alpha,25-dihydroxyvitamin D_3 / \
2beta-methyl-1alpha,25-dihydroxycholecalciferol [ C28 H46 O3, db=95.57, \
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   {500.3479, 14.986893, "Meta"} -> {{44299, 47184, 30167}, {"", ""}}, 
   {415.3571, 14.983973, "Meta"} -> {{1284430, 207680, 220613}, {"", ""}}, 
   {529.303, 14.984667, "Meta"} -> {{25263, 19571, 31204}, {"", ""}}, 
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    {{2.17*^7, 5511352, 4317265}, {"", ""}}, {771.6146, 15.732927, "Meta"} -> 
    {{3182861, 1058490, 814168}, {"", ""}}, {901.5499, 15.709517, "Meta"} -> 
    {{446837, 1, 1}, {"", ""}}, {885.5777, 15.722668, "Meta"} -> 
    {{1, 1, 198554}, {"", ""}}, {838.69, 15.756972, "Meta"} -> 
    {{298429, 93449, 73300}, {"", ""}}, {826.6931, 15.772778, "Meta"} -> 
    {{2145230, 720081, 530984}, {"", ""}}, {578.5272, 15.79175, "Meta"} -> 
    {{265991, 103227, 168158}, {"", ""}}, {646.4517, 15.798346, "Meta"} -> 
    {{35624, 28136, 18626}, {"GPA(14:0/18:1(9Z)) [ C35 H67 O8 P, db=53.75, \
overall=26.87, Lipid ID=LMGP10010019, KEGG ID= ]", ""}}, 
   {629.6106, 15.80247, "Meta"} -> {{120680, 39083, 42159}, {"", ""}}, 
   {647.6218, 15.803638, "Meta"} -> {{700026, 348378, 262500}, 
     {"Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, db=94.85, overall=47.43, \
HMP ID=HMDB04953, KEGG ID= ]", ""}}, {618.52, 15.807126, "Meta"} -> 
    {{510537, 281418, 499675}, {"1-octadecanoyl-2-(9Z,12Z,15Z-octadecatrienoy\
l)-sn-glycerol [ C39 H70 O5, db=91.14, overall=45.57, KEGG ID=, CAS ID= ]", 
      ""}}, {800.6776, 15.794722, "Meta"} -> {{2604086, 719179, 537706}, 
     {"", ""}}, {613.5643, 15.813304, "Meta"} -> {{440888, 170972, 273835}, 
     {"", ""}}, {720.5875, 15.822541, "Meta"} -> {{1, 71913, 46840}, 
     {"GPCho(O-16:0/16:0) [ C40 H83 N O7 P, db=74.12, overall=37.06, Lipid \
ID=LMGP01020029, KEGG ID= ]", ""}}, {863.6402, 15.794833, "Meta"} -> 
    {{525347, 107792, 107143}, {"", ""}}, {661.637, 15.824202, "Meta"} -> 
    {{75294, 42494, 1}, {"", ""}}, {813.6251, 15.798603, "Meta"} -> 
    {{6355141, 744315, 416636}, {"", ""}}, {847.6456, 15.813998, "Meta"} -> 
    {{3036579, 565890, 615289}, {"", ""}}, {551.4249, 15.827079, "Meta"} -> 
    {{25923, 1, 1}, {"", ""}}, {797.6297, 15.801678, "Meta"} -> 
    {{3336599, 1, 415522}, {"", ""}}, {661.4929, 15.831914, "Meta"} -> 
    {{73893, 135976, 139389}, {"", ""}}, {605.6104, 15.850416, "Meta"} -> 
    {{287340, 50309, 73432}, {"", ""}}, {834.2323, 15.869839, "Meta"} -> 
    {{1, 39117, 1}, {"", ""}}, {831.2332, 15.870869, "Meta"} -> 
    {{194040, 122604, 1}, {"", ""}}, {627.5816, 15.898941, "Meta"} -> 
    {{1, 47968, 1}, {"", ""}}, {631.6267, 15.875499, "Meta"} -> 
    {{347424, 129050, 91882}, {"", ""}}, {592.5431, 15.88767, "Meta"} -> 
    {{34887, 1, 19059}, {"", ""}}, {801.6253, 15.848322, "Meta"} -> 
    {{1, 1, 65930}, {"GPEtn(22:1(13Z)/18:0)[U] [ C45 H88 N O8 P, db=86.54, \
overall=43.27, Lipid ID=LMGP02010033, KEGG ID= ]", ""}}, 
   {632.5355, 15.902878, "Meta"} -> {{73966, 43571, 84302}, 
     {"1-(9Z-heptadecenoyl)-2-(11Z,14Z-eicosadienoyl)-sn-glycerol [ C40 H72 \
O5, db=87.97, overall=43.98, KEGG ID=, CAS ID= ]", ""}}, 
   {839.6394, 15.8606, "Meta"} -> {{618927, 1, 85859}, {"", ""}}, 
   {814.6932, 15.912194, "Meta"} -> {{4827185, 1322397, 897977}, {"", ""}}, 
   {852.6397, 15.911029, "Meta"} -> {{204620, 55004, 52953}, {"", ""}}, 
   {773.63, 15.906822, "Meta"} -> {{2010097, 334319, 232692}, {"", ""}}, 
   {823.6456, 15.917723, "Meta"} -> {{6456765, 886846, 937085}, {"", ""}}, 
   {649.6372, 15.946309, "Meta"} -> {{374034, 122845, 105011}, 
     {"N-Lignoceroylsphingosine [ C42 H83 N O3, db=98.89, overall=49.44, HMP \
ID=HMDB00831, KEGG ID= ]", ""}}, {861.593, 15.911041, "Meta"} -> 
    {{129133, 32791, 39666}, {"", ""}}, {849.6617, 15.960544, "Meta"} -> 
    {{8714280, 1376783, 1072937}, {"", ""}}, {606.5589, 16.002474, "Meta"} -> 
    {{711134, 150997, 232638}, {"", ""}}, {887.608, 15.950258, "Meta"} -> 
    {{133347, 42576, 1}, {"", ""}}, {646.5512, 16.021963, "Meta"} -> 
    {{1507038, 550406, 852758}, {"1-(9Z-octadecenoyl)-2-(11Z,14Z-eicosadienoy\
l)-sn-glycerol [ C41 H74 O5, db=90.48, overall=45.24, KEGG ID=, CAS ID= ]", 
      ""}}, {669.6274, 16.021229, "Meta"} -> {{153378, 37637, 63028}, 
     {"", ""}}, {663.653, 16.021738, "Meta"} -> {{69991, 16005, 1}, 
     {"Ceramide (d18:1/25:0) [ C43 H85 N O3, db=93.46, overall=46.73, HMP \
ID=HMDB04957, KEGG ID= ]", ""}}, {580.3012, 15.999072, "Meta"} -> 
    {{115764, 36666, 1}, {"", ""}}, {641.5965, 16.03561, "Meta"} -> 
    {{1114717, 250650, 378734}, {"", ""}}, {633.6424, 16.0732, "Meta"} -> 
    {{551024, 106704, 80867}, {"", ""}}, {875.6776, 16.05178, "Meta"} -> 
    {{6371005, 977692, 604257}, {"", ""}}, {877.6932, 16.229668, "Meta"} -> 
    {{8735958, 1330485, 1076400}, {"", ""}}, {903.7076, 16.322107, "Meta"} -> 
    {{1549286, 1, 116357}, {"", ""}}, {958.9559, 0.36646155, "Meta"} -> 
    {{33472, 1, 26328}, {"", ""}}, {2422.0625, 0.37100002, "Meta"} -> 
    {{28309, 1, 31017}, {"", ""}}, {1742.01, 0.37975758, "Meta"} -> 
    {{38584, 35331, 37596}, {"", ""}}, {1578.0028, 0.38074994, "Meta"} -> 
    {{48465, 44929, 44484}, {"", ""}}, {1988.023, 0.37995836, "Meta"} -> 
    {{24393, 21576, 22509}, {"", ""}}, {1824.0161, 0.38057694, "Meta"} -> 
    {{38098, 32169, 31788}, {"", ""}}, {547.9159, 0.39203572, "Meta"} -> 
    {{113791, 150232, 139362}, {"", ""}}, {721.7918, 0.40096295, "Meta"} -> 
    {{71355, 65496, 73715}, {"", ""}}, {557.7853, 0.40799993, "Meta"} -> 
    {{157953, 151900, 148651}, {"", ""}}, {791.6165, 0.41215378, "Meta"} -> 
    {{43252, 16153, 1}, {"", ""}}, {633.7165, 0.41170967, "Meta"} -> 
    {{23329, 16147, 26720}, {"", ""}}, {252.1202, 0.45106667, "Meta"} -> 
    {{1, 1, 67605}, {"Pro His [ C11 H16 N4 O3, db=76.47, overall=38.23 ]", 
      ""}}, {246.1942, 0.46209374, "Meta"} -> {{57620, 56948, 54759}, 
     {"", ""}}, {278.1842, 0.46203128, "Meta"} -> {{115115, 88191, 110689}, 
     {"", ""}}, {304.1997, 0.46772003, "Meta"} -> {{30359, 28521, 33252}, 
     {"", ""}}, {218.1628, 0.46839395, "Meta"} -> {{54932, 47307, 50430}, 
     {"", ""}}, {274.1643, 0.46503848, "Meta"} -> {{24194, 40237, 41849}, 
     {"Ala Gly Lys [ C11 H22 N4 O4, db=47.47, overall=23.74 ]", ""}}, 
   {380.0201, 0.5091111, "Meta"} -> {{1, 59327, 74783}, {"", ""}}, 
   {352.0515, 0.53367996, "Meta"} -> {{28835, 1, 68147}, {"", ""}}, 
   {135.068, 0.55345714, "Meta"} -> {{212580, 211862, 200527}, 
     {"2-Phenylacetamide [ C8 H9 N O, db=85.97, overall=42.98, KEGG \
ID=C02505, CAS ID=103-81-1 ]", "103-81-1"}}, {281.1835, 0.605074, "Meta"} -> 
    {{77622, 1, 60338}, {"", ""}}, {115.0629, 0.69411117, "Meta"} -> 
    {{132717, 55755, 1}, {"Proline [ C5 H9 N O2, db=79.13, overall=39.57, \
KEGG ID=C00148, CAS ID=147-85-3 ]", "147-85-3"}}, 
   {131.0587, 0.6995, "Meta"} -> {{71165, 110345, 61073}, 
     {"Trans-4-Hydroxy-L-proline [ C5 H9 N O3, db=60.12, overall=30.06, KEGG \
ID=, CAS ID=51-35-4 ]", "51-35-4"}}, {526.0667, 0.66112, "Meta"} -> 
    {{25501, 1, 23363}, {"", ""}}, {380.0206, 0.6642414, "Meta"} -> 
    {{35210, 275213, 1}, {"", ""}}, {306.0645, 0.74877775, "Meta"} -> 
    {{1, 52181, 54348}, {"", ""}}, {382.1085, 0.74347997, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {345.1429, 0.8536799, "Meta"} -> 
    {{1, 41831, 41879}, {"", ""}}, {138.0291, 0.95441395, "Meta"} -> 
    {{52226, 32165, 17759}, {"", ""}}, {172.0702, 0.99353826, "Meta"} -> 
    {{2.56*^7, 2.13*^7, 2.32*^7}, {"", ""}}, {167.1155, 1.0165, "Meta"} -> 
    {{1, 450438, 598713}, {"", ""}}, {374.102, 1.0232002, "Meta"} -> 
    {{70885, 1, 64972}, {"", ""}}, {143.0731, 1.2776923, "Meta"} -> 
    {{1, 395766, 402560}, {"", ""}}, {145.0524, 1.2775834, "Meta"} -> 
    {{805820, 721626, 1}, {"Isoquinoline N-oxide [ C9 H7 N O, db=90.43, \
overall=45.21, KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, 
   {219.1104, 1.44356, "Meta"} -> {{1, 7558, 1}, {"Pantothenic Acid [ C9 H17 \
N O5, db=54.47, overall=27.23, KEGG ID=, CAS ID=137-08-6 ]", "137-08-6"}}, 
   {309.1688, 3.743654, "Meta"} -> {{38393, 55086, 65718}, 
     {"Pro Pro Pro [ C15 H23 N3 O4, db=83.74, overall=41.87 ]", ""}}, 
   {579.254, 6.318081, "Meta"} -> {{1, 37374, 44750}, 
     {"2-[[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-Ethane\
sulfonic acid [ C26 H45 N O9 S2, db=83.71, overall=41.85, HMP ID=HMDB02449, \
KEGG ID= ]", ""}}, {419.4932, 6.474, "Meta"} -> {{28245, 19327, 1}, 
     {"", ""}}, {723.3073, 6.4805007, "Meta"} -> {{1, 32171, 40574}, 
     {"", ""}}, {420.8636, 6.645, "Meta"} -> {{71743, 71494, 68641}, 
     {"", ""}}, {414.1035, 7.120406, "Meta"} -> {{22636, 24643, 28817}, 
     {"", ""}}, {1517.675, 7.538903, "Meta"} -> {{83277, 73961, 75093}, 
     {"", ""}}, {1106.4865, 7.75332, "Meta"} -> {{30195, 79049, 71793}, 
     {"", ""}}, {427.849, 7.8510604, "Meta"} -> {{85123, 82918, 67323}, 
     {"", ""}}, {239.9882, 8.1396, "Meta"} -> {{47922, 93366, 1176297}, 
     {"", ""}}, {313.2252, 8.670879, "Meta"} -> {{62199, 49708, 57778}, 
     {"", ""}}, {465.1866, 8.675655, "Meta"} -> {{81970, 66061, 92844}, 
     {"Biotripyrrin-b [ C25 H27 N3 O6, db=43.66, overall=21.83, HMP \
ID=HMDB03324, KEGG ID= ]", ""}}, {602.3041, 9.497844, "Meta"} -> 
    {{22246, 17838, 20386}, {"", ""}}, {559.2988, 9.497002, "Meta"} -> 
    {{1, 1, 23226}, {"", ""}}, {263.127, 9.515958, "Meta"} -> 
    {{30904, 24304, 21724}, {"", ""}}, {420.2259, 9.685075, "Meta"} -> 
    {{36922, 28764, 30046}, 
     {"His His Lys [ C18 H28 N8 O4, db=54.50, overall=27.25 ]", ""}}, 
   {240.1338, 9.749299, "Meta"} -> {{41502, 1, 41284}, {"", ""}}, 
   {176.0454, 9.963879, "Meta"} -> {{35580, 1, 47765}, {"", ""}}, 
   {533.1125, 10.0555, "Meta"} -> {{64190, 43990, 39241}, 
     {"Indomethacin glucuronide [ C25 H24 Cl N O10, db=40.58, overall=20.29, \
KEGG ID=, CAS ID=75523-11-4 ]", "75523-11-4"}}, 
   {593.1437, 10.055286, "Meta"} -> {{70504, 49271, 46951}, {"", ""}}, 
   {536.1192, 10.055125, "Meta"} -> {{27014, 18397, 14864}, {"", ""}}, 
   {335.1544, 10.10977, "Meta"} -> {{1, 25999, 27538}, 
     {"Cys Leu Thr [ C13 H25 N3 O5 S, db=37.55, overall=18.77 ]", ""}}, 
   {630.2684, 10.324069, "Meta"} -> {{46165, 1, 29091}, {"", ""}}, 
   {219.129, 10.36744, "Meta"} -> {{181990, 84368, 395606}, {"", ""}}, 
   {250.1198, 10.418655, "Meta"} -> {{44905, 29876, 38495}, 
     {"Ubiquinone [ C14 H18 O4, db=60.72, overall=30.36, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {302.184, 10.730654, "Meta"} -> 
    {{59756, 52699, 60608}, {"", ""}}, {323.228, 10.9723625, "Meta"} -> 
    {{399361, 65491, 1}, {"", ""}}, {171.162, 11.016933, "Meta"} -> 
    {{59795, 26182, 32830}, {"", ""}}, {564.3483, 11.143167, "Meta"} -> 
    {{50072, 1, 43684}, {"", ""}}, {273.0832, 11.159881, "Meta"} -> 
    {{57253, 24448, 95611}, {"", ""}}, {503.2805, 11.289723, "Meta"} -> 
    {{19754, 1, 25311}, {"", ""}}, {396.1934, 11.289607, "Meta"} -> 
    {{34969, 1, 1}, {"Pregnenolone sulfate [ C21 H32 O5 S, db=58.26, \
overall=29.13, HMP ID=HMDB00774, KEGG ID= ]", ""}}, 
   {475.2532, 11.290502, "Meta"} -> {{49326, 61136, 62633}, {"", ""}}, 
   {632.2486, 11.370108, "Meta"} -> {{83868, 80265, 150005}, {"", ""}}, 
   {580.226, 11.39536, "Meta"} -> {{1, 14896, 1}, {"", ""}}, 
   {456.167, 11.397059, "Meta"} -> {{33180, 28582, 28516}, {"", ""}}, 
   {395.3032, 11.612541, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {360.3347, 11.940929, "Meta"} -> {{21160, 16630, 26618}, {"", ""}}, 
   {171.1081, 11.943874, "Meta"} -> {{294303, 390280, 616919}, {"", ""}}, 
   {396.2831, 12.028556, "Meta"} -> {{1, 2362758, 1}, {"", ""}}, 
   {313.2616, 12.047375, "Meta"} -> {{1, 235584, 482904}, {"", ""}}, 
   {842.5207, 12.128361, "Meta"} -> {{32855, 27272, 33122}, 
     {"Spiramycin 1 [ C43 H74 N2 O14, db=60.72, overall=30.36, KEGG \
ID=C01754, CAS ID=24916-50-5 ]", "24916-50-5"}}, 
   {604.1137, 12.167592, "Meta"} -> {{32929, 13430, 9793}, {"", ""}}, 
   {381.9989, 12.185469, "Meta"} -> {{40005, 21243, 16021}, {"", ""}}, 
   {572.2186, 12.2466, "Meta"} -> {{1, 16455, 18031}, {"", ""}}, 
   {396.1641, 12.277833, "Meta"} -> {{36259, 35431, 35760}, 
     {"Asn Tyr Thr [ C17 H24 N4 O7, db=61.81, overall=30.90 ]", ""}}, 
   {254.0726, 12.292558, "Meta"} -> {{69212, 28647, 26715}, 
     {"Acetaminophen-cysteine [ C11 H14 N2 O3 S, db=76.73, overall=38.36, \
KEGG ID=, CAS ID=64014-06-8 ]", "64014-06-8"}}, 
   {322.1171, 12.32875, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {614.4236, 12.339584, "Meta"} -> {{88308, 1, 1}, {"", ""}}, 
   {323.2098, 12.388596, "Meta"} -> {{102504, 70629, 117314}, 
     {"Betaxolol(hydroxylation) [ C18 H29 N O4, db=71.49, overall=35.74, KEGG \
ID=, CAS ID=87549-35-7 ]", "87549-35-7"}}, {618.251, 12.430832, "Meta"} -> 
    {{40661, 39471, 45566}, {"", ""}}, {438.3565, 12.462166, "Meta"} -> 
    {{27906, 1, 1}, {"", ""}}, {724.4581, 12.46508, "Meta"} -> 
    {{1, 36484, 34318}, {"", ""}}, {336.228, 12.510321, "Meta"} -> 
    {{94426, 79557, 92288}, {"15-epi-PGA1 [ C20 H32 O4, db=70.01, \
overall=35.01, Lipid ID=LMFA03010047, KEGG ID= ]", ""}}, 
   {431.3032, 12.516041, "Meta"} -> {{430024, 403349, 386564}, {"", ""}}, 
   {339.2776, 12.558571, "Meta"} -> {{67170, 69777, 66688}, {"", ""}}, 
   {359.2849, 12.620791, "Meta"} -> {{120567, 1, 1}, {"", ""}}, 
   {1120.5815, 12.721594, "Meta"} -> {{1, 167175, 1}, {"", ""}}, 
   {360.0762, 12.647442, "Meta"} -> {{30630, 10766, 1}, {"", ""}}, 
   {870.5521, 12.68296, "Meta"} -> {{45475, 1, 1}, {"", ""}}, 
   {594.374, 12.7149315, "Meta"} -> {{1, 40057, 27211}, 
     {"7,8-Didehydroastaxanthin [ C40 H50 O4, db=74.93, overall=37.46, Lipid \
ID=LMPR01070051, KEGG ID= ]", ""}}, {909.6228, 12.728479, "Meta"} -> 
    {{25182, 1, 1}, {"", ""}}, {372.2657, 12.741412, "Meta"} -> 
    {{1, 33220, 19523}, {"(22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid [ \
C24 H36 O3, db=63.76, overall=31.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {354.3241, 12.753935, "Meta"} -> {{25932, 35079, 81247}, {"", ""}}, 
   {633.4446, 12.767465, "Meta"} -> {{1, 42157, 58532}, {"", ""}}, 
   {638.4002, 12.7673855, "Meta"} -> {{43119, 1, 30087}, {"", ""}}, 
   {546.238, 12.80944, "Meta"} -> {{94847, 19504, 1}, {"", ""}}, 
   {430.2145, 12.858498, "Meta"} -> {{32295, 72883, 39738}, {"", ""}}, 
   {381.2643, 12.864834, "Meta"} -> {{107903, 96241, 1}, 
     {"Sphinganine 1-phosphate [ C18 H40 N O5 P, db=61.19, overall=30.59, \
KEGG ID=C01120, CAS ID=19794-97-9 ]", "19794-97-9"}}, 
   {598.4292, 12.9028635, "Meta"} -> {{471935, 469902, 440214}, {"", ""}}, 
   {914.5791, 12.90653, "Meta"} -> {{35440, 52459, 31789}, {"", ""}}, 
   {909.6228, 12.903775, "Meta"} -> {{42201, 1, 1}, {"", ""}}, 
   {262.1504, 12.906483, "Meta"} -> {{27703, 23101, 24892}, {"", ""}}, 
   {1613.9202, 12.9604435, "Meta"} -> {{53008, 106438, 1}, {"", ""}}, 
   {519.8025, 12.93093, "Meta"} -> {{76856, 12978, 16253}, {"", ""}}, 
   {982.6032, 12.922208, "Meta"} -> {{70693, 1, 1}, {"", ""}}, 
   {1024.6497, 12.9421835, "Meta"} -> {{688223, 33395, 1}, {"", ""}}, 
   {1148.6115, 12.963801, "Meta"} -> {{120164, 1, 1}, {"", ""}}, 
   {507.3326, 12.98204, "Meta"} -> {{163008, 1, 54609}, {"", ""}}, 
   {1559.8555, 12.970627, "Meta"} -> {{26740, 16105, 1}, {"", ""}}, 
   {1042.6005, 12.993199, "Meta"} -> {{162394, 176385, 1}, {"", ""}}, 
   {1037.118, 13.003001, "Meta"} -> {{22999, 1, 10296}, {"", ""}}, 
   {427.3661, 13.001041, "Meta"} -> {{232042, 1, 1}, 
     {"Stearoylcarnitine [ C25 H49 N O4, db=99.56, overall=49.78, HMP \
ID=HMDB00848, KEGG ID= ]", ""}}, {1065.1241, 13.043728, "Meta"} -> 
    {{99764, 1, 1}, {"", ""}}, {3153.9402, 13.013799, "Meta"} -> 
    {{73053, 70093, 81723}, {"", ""}}, {1062.6643, 13.043032, "Meta"} -> 
    {{4.09*^7, 198188, 1.69*^7}, {"", ""}}, {1691.9418, 13.075117, "Meta"} -> 
    {{1, 42524, 53372}, {"", ""}}, {1124.6125, 13.074121, "Meta"} -> 
    {{447879, 1, 492978}, {"", ""}}, {840.5426, 13.075176, "Meta"} -> 
    {{189219, 179667, 193117}, {"", ""}}, {1610.915, 13.078408, "Meta"} -> 
    {{106977, 119479, 1}, {"", ""}}, {183.0655, 13.115752, "Meta"} -> 
    {{171383, 1, 89733}, {"", ""}}, {2538.609, 13.147432, "Meta"} -> 
    {{59676, 204610, 218689}, {"", ""}}, {2562.6084, 13.136644, "Meta"} -> 
    {{131613, 1, 31488}, {"", ""}}, {545.2796, 13.128334, "Meta"} -> 
    {{28202, 1, 20327}, {"", ""}}, {1553.9612, 13.132172, "Meta"} -> 
    {{95501, 33236, 60789}, {"", ""}}, {569.3479, 13.150904, "Meta"} -> 
    {{2364035, 566514, 582077}, {"", ""}}, {1354.8588, 13.150917, "Meta"} -> 
    {{16380, 1, 1}, {"", ""}}, {1645.9559, 13.165126, "Meta"} -> 
    {{105354, 83757, 1}, {"", ""}}, {559.2929, 13.138584, "Meta"} -> 
    {{39881, 1, 1}, {"", ""}}, {384.2382, 13.160249, "Meta"} -> 
    {{14281, 1, 1}, {"", ""}}, {883.525, 13.1601515, "Meta"} -> 
    {{66244, 1, 1}, {"", ""}}, {319.2722, 13.161035, "Meta"} -> 
    {{139013, 1, 1}, {"", ""}}, {662.3214, 13.161371, "Meta"} -> 
    {{19094, 1, 17159}, {"", ""}}, {643.322, 13.174154, "Meta"} -> 
    {{23716, 42736, 36563}, {"", ""}}, {583.2961, 13.172579, "Meta"} -> 
    {{230860, 98783, 115768}, {"", ""}}, {1505.898, 13.17625, "Meta"} -> 
    {{25682, 1, 1}, {"", ""}}, {970.6001, 13.182221, "Meta"} -> 
    {{387910, 157249, 55793}, {"", ""}}, {3039.9446, 13.20112, "Meta"} -> 
    {{46219, 1, 87980}, {"", ""}}, {2967.8972, 13.195209, "Meta"} -> 
    {{40643, 1, 1}, {"", ""}}, {2498.639, 13.222151, "Meta"} -> 
    {{97519, 512548, 522911}, {"", ""}}, {1512.0118, 13.256168, "Meta"} -> 
    {{310828, 1, 1}, {"", ""}}, {788.5499, 13.282076, "Meta"} -> 
    {{46604, 482079, 1}, {"", ""}}, {1557.9952, 13.283399, "Meta"} -> 
    {{349955, 147021, 227097}, {"", ""}}, {2664.6548, 13.3012495, "Meta"} -> 
    {{348505, 100562, 169178}, {"", ""}}, {1558.4962, 13.295667, "Meta"} -> 
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   {920.6287, 13.335076, "Meta"} -> {{389381, 1, 1}, {"", ""}}, 
   {426.2297, 13.336428, "Meta"} -> {{20497, 13586, 14063}, 
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    {{1, 28384, 156357}, {"", ""}}, {467.3008, 13.459519, "Meta"} -> 
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    {{1, 70257, 1}, {"", ""}}, {424.259, 13.54431, "Meta"} -> 
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   {1002.7006, 13.568126, "Meta"} -> {{464793, 1, 1}, {"", ""}}, 
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   {797.5224, 13.576999, "Meta"} -> {{66033, 88675, 22592}, {"", ""}}, 
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   {889.5718, 13.618206, "Meta"} -> {{27920, 1, 1}, {"", ""}}, 
   {330.2768, 13.61125, "Meta"} -> {{1918201, 389095, 626096}, 
     {"1-hexadecanoyl-sn-glycerol [ C19 H38 O4, db=72.01, overall=36.01, KEGG \
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     {"Thr Met Arg [ C15 H30 N6 O5 S, db=36.71, overall=18.35 ]", ""}}, 
   {370.2482, 13.64018, "Meta"} -> {{79719, 40436, 33654}, 
     {"(20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid [ C24 H34 O3, \
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   {404.2562, 13.6432905, "Meta"} -> {{28334, 62551, 45763}, 
     {"3alpha-Hydroxy-1,7-dioxo-5beta-cholan-24-oic Acid [ C24 H36 O5, \
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   {286.2291, 13.665809, "Meta"} -> {{33068, 1, 1}, 
     {"11-cis-Retinol [ C20 H30 O, db=65.17, overall=32.58, Lipid \
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    {{63425, 37162, 160437}, {"", ""}}, {545.8475, 13.691209, "Meta"} -> 
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    {{365166, 902946, 639247}, {"", ""}}, {325.2975, 13.681, "Meta"} -> 
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   {701.5288, 13.692271, "Meta"} -> {{112279, 130344, 146921}, {"", ""}}, 
   {1372.908, 13.695891, "Meta"} -> {{120607, 1, 14923}, {"", ""}}, 
   {1523.95, 13.699626, "Meta"} -> {{69626, 1, 1}, {"", ""}}, 
   {1004.6844, 13.699296, "Meta"} -> {{983695, 52890, 44294}, {"", ""}}, 
   {1000.5864, 13.70054, "Meta"} -> {{41602, 19116, 1}, {"", ""}}, 
   {410.2824, 13.69748, "Meta"} -> {{23503, 1, 1}, {"24,25-epoxy-1alpha-hydro\
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     {"", ""}}, {452.2117, 13.705769, "Meta"} -> {{31828, 13931, 26929}, 
     {"2H-Indol-2-one, 4-[2-(dipropylamino)ethyl]-1,3-dihydro-7-hydroxy- \
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    {{30085, 1, 1}, {"", ""}}, {1343.0792, 13.708042, "Meta"} -> 
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    {{34298, 22076, 23911}, {"7-hydroxy-5-heptynoic acid [ C7 H10 O3, \
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   {891.5883, 13.727132, "Meta"} -> {{1, 76941, 84153}, {"", ""}}, 
   {948.6602, 13.717423, "Meta"} -> {{961871, 916755, 915652}, {"", ""}}, 
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   {909.5629, 13.730292, "Meta"} -> {{76006, 1, 1}, {"", ""}}, 
   {1036.7156, 13.737922, "Meta"} -> {{1, 657355, 599560}, {"", ""}}, 
   {1097.7646, 13.7401, "Meta"} -> {{579502, 1, 1190066}, {"", ""}}, 
   {1570.0927, 13.769002, "Meta"} -> {{3285334, 241437, 39568}, {"", ""}}, 
   {1215.6873, 13.76275, "Meta"} -> {{52019, 1, 1}, {"", ""}}, 
   {605.3553, 13.761167, "Meta"} -> {{164929, 1, 83289}, {"", ""}}, 
   {1614.0557, 13.773646, "Meta"} -> {{290380, 187347, 153221}, {"", ""}}, 
   {2654.766, 13.775891, "Meta"} -> {{1818247, 274727, 173165}, {"", ""}}, 
   {2146.3713, 13.775643, "Meta"} -> {{848494, 1, 1}, {"", ""}}, 
   {1317.8951, 13.782828, "Meta"} -> {{260105, 548211, 585171}, {"", ""}}, 
   {486.2722, 13.799001, "Meta"} -> {{23569, 30967, 28319}, {"", ""}}, 
   {1493.9999, 13.813615, "Meta"} -> {{1, 230210, 242675}, {"", ""}}, 
   {1411.0074, 13.822881, "Meta"} -> {{200284, 17140, 1}, {"", ""}}, 
   {364.3083, 13.814071, "Meta"} -> {{22204, 51619, 50605}, {"", ""}}, 
   {246.2344, 13.829058, "Meta"} -> {{1, 27076, 29913}, 
     {"Dodecylbenzene [ C18 H30, db=83.32, overall=41.66, HMP ID=HMDB03542, \
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    {{18441, 1, 134642}, {"Trihydroxycoprostanoic acid [ C28 H48 O5, \
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   {1273.8958, 13.833207, "Meta"} -> {{124910, 1, 1}, {"", ""}}, 
   {1692.0865, 13.839601, "Meta"} -> {{1, 60551, 60182}, {"", ""}}, 
   {615.5204, 13.8424425, "Meta"} -> {{209454, 47320, 35900}, {"", ""}}, 
   {286.2509, 13.846881, "Meta"} -> {{687890, 1, 1}, 
     {"2-hydroxy-heptadecanoic acid [ C17 H34 O3, db=97.72, overall=48.86, \
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    {{25859, 1, 1}, {"", ""}}, {696.2766, 13.87254, "Meta"} -> 
    {{56968, 1, 56247}, {"", ""}}, {332.1373, 13.873767, "Meta"} -> 
    {{40300, 50029, 35588}, {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 \
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   {553.2424, 13.875352, "Meta"} -> {{158371, 144880, 129733}, {"", ""}}, 
   {940.4012, 13.875486, "Meta"} -> {{107180, 104301, 12582}, {"", ""}}, 
   {613.7682, 13.876518, "Meta"} -> {{68115, 115154, 45018}, 
     {"Diatrizoate [ C11 H9 I3 N2 O4, db=75.97, overall=37.98, KEGG \
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    {{108703, 110283, 88234}, {"", ""}}, {1178.4764, 13.877108, "Meta"} -> 
    {{63795, 71778, 42552}, {"", ""}}, {1148.4653, 13.877125, "Meta"} -> 
    {{28942, 56296, 37426}, {"", ""}}, {1210.502, 13.87775, "Meta"} -> 
    {{66891, 91368, 63957}, {"", ""}}, {1196.5201, 13.877587, "Meta"} -> 
    {{382111, 273647, 207792}, {"", ""}}, {1179.6492, 13.879959, "Meta"} -> 
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    {{70501, 25003, 1}, {"", ""}}, {763.4538, 13.893353, "Meta"} -> 
    {{46491, 38424, 17119}, {"", ""}}, {874.6232, 13.896, "Meta"} -> 
    {{1, 380860, 358565}, {"", ""}}, {1026.6364, 13.899459, "Meta"} -> 
    {{45906, 1, 1}, {"", ""}}, {988.6857, 13.899965, "Meta"} -> 
    {{161744, 32981, 19004}, {"", ""}}, {1182.8066, 13.906625, "Meta"} -> 
    {{41818, 22547, 1}, {"", ""}}, {1155.8073, 13.909867, "Meta"} -> 
    {{1134977, 1235894, 1400745}, {"", ""}}, 
   {1133.7634, 13.909791, "Meta"} -> {{390721, 1, 584968}, {"", ""}}, 
   {1204.7888, 13.910968, "Meta"} -> {{542313, 412287, 334859}, {"", ""}}, 
   {412.319, 13.933791, "Meta"} -> {{518680, 1, 98821}, {"", ""}}, 
   {429.3453, 13.92668, "Meta"} -> {{190105, 1, 35081}, {"", ""}}, 
   {457.2311, 13.933417, "Meta"} -> {{28733, 1, 1}, {"", ""}}, 
   {625.5645, 13.932321, "Meta"} -> {{192324, 1, 41654}, 
     {"1,3-di-(9Z-octadecenoyl)-2-hydroxy-sn-glycerol-d5 [ C39 H67 D5 O5, \
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   {392.1986, 13.933346, "Meta"} -> {{179184, 46101, 510688}, 
     {"Betamethasone [ C22 H29 F O5, db=56.48, overall=28.24, KEGG ID=C06848, \
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    {{244204, 127889, 126182}, {"", ""}}, {905.6038, 13.9305, "Meta"} -> 
    {{80438, 1, 1}, {"", ""}}, {326.2818, 13.934208, "Meta"} -> 
    {{126501, 33035, 41217}, {"14R-hydroxy-11Z-eicosenoic acid [ C20 H38 O3, \
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   {1512.9745, 13.943259, "Meta"} -> {{294317, 252525, 214912}, {"", ""}}, 
   {404.3248, 13.940714, "Meta"} -> {{115874, 41310, 43958}, {"", ""}}, 
   {361.3192, 13.941904, "Meta"} -> {{429838, 71970, 114277}, {"", ""}}, 
   {638.4799, 13.954207, "Meta"} -> {{51805, 1, 1}, {"", ""}}, 
   {894.7203, 13.9559555, "Meta"} -> {{24682, 1, 1}, {"", ""}}, 
   {649.4322, 13.963917, "Meta"} -> {{112969, 1, 1}, {"", ""}}, 
   {817.5507, 13.970483, "Meta"} -> {{184986, 41025, 16345}, {"", ""}}, 
   {696.3306, 13.97226, "Meta"} -> {{29626, 1, 9035}, {"", ""}}, 
   {368.3293, 13.973274, "Meta"} -> {{35526, 32332, 28828}, 
     {"2-oxo-tricosanoic acid [ C23 H44 O3, db=83.10, overall=41.55, Lipid \
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    {{110152, 38025, 32631}, {"", ""}}, {327.3138, 14.019958, "Meta"} -> 
    {{54421, 82406, 1}, {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, \
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   {432.3443, 14.042667, "Meta"} -> {{2851554, 1, 1}, {"", ""}}, 
   {1130.752, 14.0565195, "Meta"} -> {{1, 1, 242748}, {"", ""}}, 
   {1081.7697, 14.056306, "Meta"} -> {{442398, 1, 463722}, {"", ""}}, 
   {1301.9012, 14.060631, "Meta"} -> {{1222734, 1219572, 1276256}, {"", ""}}, 
   {1345.9271, 14.061594, "Meta"} -> {{1193599, 1152267, 281672}, {"", ""}}, 
   {547.3318, 14.088111, "Meta"} -> {{79261, 41361, 1}, {"", ""}}, 
   {1416.8945, 14.065963, "Meta"} -> {{440508, 388056, 1}, {"", ""}}, 
   {1478.0059, 14.069033, "Meta"} -> {{822037, 36367, 39909}, {"", ""}}, 
   {1539.0583, 14.065129, "Meta"} -> {{358889, 405660, 684438}, {"", ""}}, 
   {388.3188, 14.077641, "Meta"} -> {{920147, 112777, 1}, {"", ""}}, 
   {1671.1366, 14.077626, "Meta"} -> {{241960, 220191, 351357}, {"", ""}}, 
   {1759.1885, 14.088881, "Meta"} -> {{146428, 1, 194642}, {"", ""}}, 
   {362.2226, 14.091807, "Meta"} -> {{81013, 82943, 44763}, {"", ""}}, 
   {406.2871, 14.089751, "Meta"} -> {{127602, 1, 1}, {"", ""}}, 
   {442.3058, 14.054035, "Meta"} -> {{90072, 262419, 92606}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
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    {{472003, 548515, 356069}, {"Progesterone [ C21 H30 O2, db=66.34, \
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   {415.3467, 14.121041, "Meta"} -> {{124715, 1, 112300}, 
     {"tomatidine [ C27 H45 N O2, db=66.95, overall=33.47, Lipid \
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    {{72765, 26091, 30640}, {"", ""}}, {1107.9249, 14.142357, "Meta"} -> 
    {{28606, 1, 14857}, {"", ""}}, {889.6583, 14.144666, "Meta"} -> 
    {{138369, 1, 1}, {"", ""}}, {784.6361, 14.144617, "Meta"} -> 
    {{82702, 1, 1}, {"", ""}}, {706.5926, 14.145374, "Meta"} -> 
    {{150763, 1, 1}, {"", ""}}, {1120.8586, 14.145665, "Meta"} -> 
    {{28987, 1, 1}, {"", ""}}, {535.496, 14.138332, "Meta"} -> 
    {{41672, 1, 1}, {"", ""}}, {798.6034, 14.14996, "Meta"} -> 
    {{39033, 1, 1}, {"GPCho(18:0/19:3(9Z,12Z,15Z)[U]) [ C45 H85 N O8 P, \
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   {248.2501, 14.149543, "Meta"} -> {{42879, 1, 1}, {"", ""}}, 
   {467.2466, 14.092066, "Meta"} -> {{29967, 13169, 150638}, 
     {"Penbutolol glucuronide [ C24 H37 N O8, db=37.20, overall=18.60, KEGG \
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    {{109154, 1, 1}, {"", ""}}, {1130.8466, 14.151208, "Meta"} -> 
    {{102309, 1, 1}, {"", ""}}, {471.2462, 14.144727, "Meta"} -> 
    {{247746, 70898, 87112}, {"", ""}}, {511.4599, 14.152822, "Meta"} -> 
    {{239172, 17886, 1}, {"", ""}}, {474.2492, 14.152304, "Meta"} -> 
    {{237229, 79700, 84132}, {"", ""}}, {431.361, 14.173369, "Meta"} -> 
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    {{49067, 51522, 1}, {"", ""}}, {537.4757, 14.195916, "Meta"} -> 
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    {{113887, 92953, 92617}, {"", ""}}, {661.5622, 14.189167, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {342.3608, 14.2178755, "Meta"} -> 
    {{1, 1, 24772}, {"", ""}}, {381.2554, 14.218654, "Meta"} -> 
    {{34044, 1, 1}, {"", ""}}, {592.5907, 14.224184, "Meta"} -> 
    {{46744, 8153, 10740}, {"", ""}}, {354.3608, 14.2303095, "Meta"} -> 
    {{17589, 20260, 38442}, {"", ""}}, {919.6819, 14.234096, "Meta"} -> 
    {{32370, 23426, 34405}, {"", ""}}, {551.3956, 14.253501, "Meta"} -> 
    {{1133897, 1, 1}, {"", ""}}, {342.255, 14.27097, "Meta"} -> 
    {{2.32*^7, 1.07*^7, 8269900}, {"", ""}}, 
   {1114.7946, 14.253259, "Meta"} -> {{104304, 74344, 61590}, {"", ""}}, 
   {174.14, 14.273462, "Meta"} -> {{42096, 19711, 19575}, {"", ""}}, 
   {540.4366, 14.265166, "Meta"} -> {{1, 140828, 918921}, {"", ""}}, 
   {537.5111, 14.26788, "Meta"} -> {{145828, 14051, 1}, 
     {"N-Palmitoylsphingosine [ C34 H67 N O3, db=97.22, overall=48.61, HMP \
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    {{1, 31981, 1}, {"", ""}}, {493.3546, 14.284119, "Meta"} -> 
    {{234023, 50322, 1}, {"", ""}}, {462.2603, 14.291335, "Meta"} -> 
    {{96070, 12989, 1}, {"Retinyl glucuronide [ C26 H38 O7, db=72.43, \
overall=36.21, KEGG ID=, CAS ID=16639-19-3 ]", "16639-19-3"}}, 
   {294.165, 14.293693, "Meta"} -> {{136737, 21893, 1}, {"", ""}}, 
   {1929.2153, 14.301193, "Meta"} -> {{65169, 66456, 57283}, {"", ""}}, 
   {1919.2993, 14.301039, "Meta"} -> {{1, 53360, 91080}, {"", ""}}, 
   {678.0978, 14.303559, "Meta"} -> {{37171, 26885, 22203}, {"", ""}}, 
   {660.1179, 14.307345, "Meta"} -> {{31765, 1, 78129}, {"", ""}}, 
   {616.0923, 14.309033, "Meta"} -> {{12601, 68083, 88826}, {"", ""}}, 
   {1968.2823, 14.29344, "Meta"} -> {{76910, 73381, 69658}, {"", ""}}, 
   {557.4655, 14.3256235, "Meta"} -> {{67951, 102560, 108313}, {"", ""}}, 
   {210.1611, 14.326935, "Meta"} -> {{35988, 22649, 12904}, 
     {"3E,5E-tridecadienoic acid [ C13 H22 O2, db=51.36, overall=25.68, Lipid \
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    {{120233, 142996, 151336}, {"13E,17-octadecadienoic acid [ C18 H32 O2, \
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   {1302.9338, 14.329708, "Meta"} -> {{277189, 324409, 482372}, {"", ""}}, 
   {1224.7938, 14.333634, "Meta"} -> {{1, 105502, 79755}, {"", ""}}, 
   {1158.784, 14.347498, "Meta"} -> {{1, 162899, 83677}, {"", ""}}, 
   {412.258, 14.357724, "Meta"} -> {{9363816, 9842376, 1}, {"", ""}}, 
   {224.1775, 14.381326, "Meta"} -> {{143165, 106646, 533598}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=80.34, overall=40.17, \
Lipid ID=, KEGG ID= ]", ""}}, {540.3789, 14.368897, "Meta"} -> 
    {{372011, 373171, 166745}, {"", ""}}, {266.2606, 14.390668, "Meta"} -> 
    {{38537, 1, 1}, {"3E,13Z-octadecadien-1-ol [ C18 H34 O, db=80.14, \
overall=40.07, Lipid ID=, KEGG ID= ]", ""}}, 
   {1987.2571, 14.389832, "Meta"} -> {{1, 38301, 1}, {"", ""}}, 
   {644.4889, 14.399479, "Meta"} -> {{232652, 25991, 1}, {"", ""}}, 
   {782.5681, 14.399292, "Meta"} -> {{1050964, 1, 1}, 
     {"GPCho(18:1(9Z)/18:3(9Z,12Z,15Z)[U]) [ C44 H81 N O8 P, db=94.15, \
overall=47.08, Lipid ID=LMGP01010899, KEGG ID= ]", ""}}, 
   {1982.2996, 14.399588, "Meta"} -> {{90611, 79685, 82701}, {"", ""}}, 
   {1977.3427, 14.395542, "Meta"} -> {{58749, 58521, 73459}, {"", ""}}, 
   {415.3658, 14.408801, "Meta"} -> {{145704, 96220, 32096}, {"", ""}}, 
   {1894.2448, 14.404812, "Meta"} -> {{146789, 139259, 145133}, {"", ""}}, 
   {539.2676, 14.406583, "Meta"} -> {{35905, 1, 1}, {"", ""}}, 
   {258.1832, 14.399001, "Meta"} -> {{83966, 20850, 1}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=63.45, overall=31.73, \
Lipid ID=, KEGG ID= ]", ""}}, {1674.1147, 14.420113, "Meta"} -> 
    {{367099, 306322, 331587}, {"", ""}}, {1669.1595, 14.419, "Meta"} -> 
    {{245361, 273569, 293890}, {"", ""}}, {607.7394, 14.417484, "Meta"} -> 
    {{41597, 40834, 47056}, {"", ""}}, {690.5302, 14.423751, "Meta"} -> 
    {{84733, 1, 1}, {"", ""}}, {410.3766, 14.434156, "Meta"} -> 
    {{18193, 1, 1}, {"", ""}}, {1458.941, 14.442542, "Meta"} -> 
    {{211385, 144865, 144866}, {"", ""}}, {1360.9753, 14.447921, "Meta"} -> 
    {{1, 214215, 158862}, {"", ""}}, {415.4019, 14.450322, "Meta"} -> 
    {{21311, 12414, 1}, {"", ""}}, {1326.8624, 14.456611, "Meta"} -> 
    {{121918, 1, 79375}, {"", ""}}, {433.3763, 14.454422, "Meta"} -> 
    {{142650, 1, 21308}, {"(+/-)N-(2-fluro-ethyl)-2,16,16-trimethyl-5Z,8Z,11Z\
,14Z-tricosatetraenoyl amine [ C28 H48 F N O, db=67.24, overall=33.62, Lipid \
ID=, KEGG ID= ]", ""}}, {450.3702, 14.42675, "Meta"} -> 
    {{402258, 91074, 180100}, {"3alpha,12alpha,25-trihydroxy-5beta-cholestan-\
7-one [ C28 H50 O4, db=86.51, overall=43.25, Lipid ID=, KEGG ID= ]", ""}}, 
   {998.7598, 14.480124, "Meta"} -> {{44823, 26846, 22452}, {"", ""}}, 
   {568.4706, 14.499832, "Meta"} -> {{648571, 620518, 85488}, {"", ""}}, 
   {640.1112, 14.502998, "Meta"} -> {{34593, 44841, 36137}, {"", ""}}, 
   {537.4164, 14.511375, "Meta"} -> {{1163737, 1, 1}, {"", ""}}, 
   {1859.2772, 14.508418, "Meta"} -> {{1, 1, 107573}, {"", ""}}, 
   {820.8858, 14.511085, "Meta"} -> {{31139, 42101, 1}, 
     {"Iohexol [ C19 H26 I3 N3 O9, db=28.84, overall=14.42, KEGG ID=, CAS \
ID=66108-95-0 ]", "66108-95-0"}}, {403.3657, 14.511079, "Meta"} -> 
    {{130556, 1, 1}, {"", ""}}, {484.3078, 14.513251, "Meta"} -> 
    {{25669, 1, 1}, {"", ""}}, {556.449, 14.513818, "Meta"} -> 
    {{173299, 160673, 154339}, {"", ""}}, {1727.2, 14.51852, "Meta"} -> 
    {{131859, 168435, 1}, {"", ""}}, {371.3507, 14.486881, "Meta"} -> 
    {{19758, 13794, 24914}, {"", ""}}, {1428.9324, 14.556345, "Meta"} -> 
    {{1, 29774, 52671}, {"", ""}}, {246.2343, 14.558037, "Meta"} -> 
    {{39402, 19464, 15388}, {"Dodecylbenzene [ C18 H30, db=85.43, \
overall=42.71, HMP ID=HMDB03542, KEGG ID= ]", ""}}, 
   {704.547, 14.558501, "Meta"} -> {{53374, 1, 1}, {"", ""}}, 
   {353.239, 14.559209, "Meta"} -> {{33949, 1, 1}, {"", ""}}, 
   {320.307, 14.586639, "Meta"} -> {{1, 17962, 1}, {"", ""}}, 
   {674.1341, 14.583749, "Meta"} -> {{27976, 40046, 1}, {"", ""}}, 
   {1922.2782, 14.597296, "Meta"} -> {{1, 84602, 84606}, {"", ""}}, 
   {648.6536, 14.599898, "Meta"} -> {{55705, 41197, 19294}, {"", ""}}, 
   {721.5625, 14.639969, "Meta"} -> {{73553, 100701, 86708}, {"", ""}}, 
   {796.2077, 14.596042, "Meta"} -> {{19702, 1, 37596}, {"", ""}}, 
   {356.3766, 14.611617, "Meta"} -> {{68044, 49082, 24397}, {"", ""}}, 
   {729.6274, 14.614373, "Meta"} -> {{121487, 1, 1}, {"", ""}}, 
   {616.4684, 14.621041, "Meta"} -> {{2889188, 1, 9784529}, {"", ""}}, 
   {292.1672, 14.630277, "Meta"} -> {{821996, 38769, 1}, {"", ""}}, 
   {783.0571, 14.639333, "Meta"} -> {{77143, 74026, 61880}, {"", ""}}, 
   {516.2764, 14.643195, "Meta"} -> {{419436, 1, 1}, {"", ""}}, 
   {126.1405, 14.642334, "Meta"} -> {{491746, 24835, 1}, {"", ""}}, 
   {449.3507, 14.649598, "Meta"} -> {{793259, 1, 1}, {"", ""}}, 
   {714.5294, 14.645124, "Meta"} -> {{78573, 141763, 182463}, 
     {"1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docos\
ahexaenoyl)-sn-glycerol [ C47 H70 O5, db=26.90, overall=13.45, KEGG ID=, CAS \
ID= ]", ""}}, {148.0158, 14.662999, "Meta"} -> {{999745, 39105, 1}, 
     {"", ""}}, {1975.3611, 14.680179, "Meta"} -> {{1, 36736, 1}, {"", ""}}, 
   {1304.9498, 14.676501, "Meta"} -> {{134871, 1, 1}, {"", ""}}, 
   {1288.9882, 14.677895, "Meta"} -> {{242057, 47703, 51754}, {"", ""}}, 
   {314.2456, 14.663063, "Meta"} -> {{99464, 68128, 86675}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=84.30, overall=42.15, HMP \
ID=HMDB00782, KEGG ID= ]", ""}}, {1887.3066, 14.691118, "Meta"} -> 
    {{1, 28135, 25374}, {"", ""}}, {718.5628, 14.687387, "Meta"} -> 
    {{350536, 78814, 70079}, {"", ""}}, {623.4396, 14.6919565, "Meta"} -> 
    {{57560, 177082, 1}, {"", ""}}, {645.6059, 14.685749, "Meta"} -> 
    {{75596, 1, 1}, {"", ""}}, {628.3971, 14.698038, "Meta"} -> 
    {{29890, 20752, 20584}, {"", ""}}, {1843.2805, 14.697259, "Meta"} -> 
    {{50470, 1, 35314}, {"", ""}}, {648.5186, 14.694042, "Meta"} -> 
    {{156097, 1, 1}, {"", ""}}, {408.3972, 14.705543, "Meta"} -> 
    {{57018, 1, 1}, {"2,4-dimethyl-2-pentacosenoic acid [ C27 H52 O2, \
db=74.43, overall=37.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {1226.7506, 14.711852, "Meta"} -> {{194957, 44877, 30830}, 
     {"Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=97.82, \
overall=48.91, HMP ID=HMDB04902, KEGG ID= ]", ""}}, 
   {645.4183, 14.717676, "Meta"} -> {{1, 1, 131215}, {"", ""}}, 
   {698.468, 14.730161, "Meta"} -> {{61296, 1, 1}, {"", ""}}, 
   {758.5008, 14.730802, "Meta"} -> {{77029, 66306, 1}, {"", ""}}, 
   {337.2991, 14.743073, "Meta"} -> {{292602, 309802, 32401}, {"", ""}}, 
   {567.4826, 14.741691, "Meta"} -> {{46542, 63328, 1}, {"", ""}}, 
   {335.2823, 14.734916, "Meta"} -> {{1, 471378, 1}, {"", ""}}, 
   {224.1774, 14.743076, "Meta"} -> {{38834, 48319, 10528}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=58.15, overall=29.08, \
Lipid ID=, KEGG ID= ]", ""}}, {311.2823, 14.741, "Meta"} -> 
    {{303995, 328040, 73135}, {"", ""}}, {410.3415, 14.759458, "Meta"} -> 
    {{18363, 1, 172869}, {"", ""}}, {578.4528, 14.761768, "Meta"} -> 
    {{70929, 16228, 11924}, {"", ""}}, {821.8807, 14.768291, "Meta"} -> 
    {{1, 19434, 1}, {"", ""}}, {454.306, 14.7669325, "Meta"} -> 
    {{2018166, 118797, 98076}, {"26,26,26-trifluoro-25-hydroxyvitamin D3 / \
26,26,26-trifluoro-25-hydroxycholecalciferol [ C27 H41 F3 O2, db=96.49, \
overall=48.25, Lipid ID=LMST03020131, KEGG ID= ]", ""}}, 
   {754.4952, 14.762309, "Meta"} -> {{26023, 1, 1}, {"", ""}}, 
   {544.4848, 14.776436, "Meta"} -> {{53888, 41281, 1}, {"", ""}}, 
   {1023.6713, 14.774457, "Meta"} -> {{83194, 1, 1}, 
     {"Trihexosylceramide (d18:1/16:0) [ C52 H97 N O18, db=90.02, \
overall=45.01, HMP ID=HMDB04879, KEGG ID= ]", ""}}, 
   {278.1698, 14.775679, "Meta"} -> {{97817, 57153, 1}, {"", ""}}, 
   {647.6214, 14.772876, "Meta"} -> {{84386, 1, 1}, 
     {"Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, db=98.12, overall=49.06, \
HMP ID=HMDB04953, KEGG ID= ]", ""}}, {434.3759, 14.783721, "Meta"} -> 
    {{38496, 1, 1}, {"6-deoxoteasterone [ C28 H50 O3, db=63.15, \
overall=31.57, Lipid ID=LMST01030120, KEGG ID= ]", ""}}, 
   {724.4845, 14.780425, "Meta"} -> {{23032, 1, 18816}, {"", ""}}, 
   {406.3782, 14.821377, "Meta"} -> {{49640, 14527, 8523}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=55.72, \
overall=27.86, Lipid ID=, KEGG ID= ]", ""}}, {704.5472, 14.802679, "Meta"} -> 
    {{81206, 15228, 1}, {"", ""}}, {1249.0677, 14.813335, "Meta"} -> 
    {{60862, 49533, 1}, {"", ""}}, {843.4971, 14.847156, "Meta"} -> 
    {{129697, 36754, 19225}, {"", ""}}, {2045.5883, 14.842042, "Meta"} -> 
    {{106547, 1, 1}, {"", ""}}, {2720.1182, 14.840377, "Meta"} -> 
    {{130796, 1, 1}, {"", ""}}, {2061.5564, 14.8452215, "Meta"} -> 
    {{218730, 30307, 1}, {"", ""}}, {1239.9836, 14.848166, "Meta"} -> 
    {{81758, 1, 1}, {"", ""}}, {1387.0208, 14.848454, "Meta"} -> 
    {{499908, 131813, 102762}, {"", ""}}, {565.4473, 14.858251, "Meta"} -> 
    {{509487, 135727, 1}, {"", ""}}, {1226.951, 14.852665, "Meta"} -> 
    {{35926, 1, 1}, {"", ""}}, {1419.0518, 14.88988, "Meta"} -> 
    {{24933, 28318, 71837}, {"", ""}}, {455.3974, 14.8894205, "Meta"} -> 
    {{65542, 1, 117524}, {"", ""}}, {483.4287, 14.892069, "Meta"} -> 
    {{114280, 1, 103765}, {"", ""}}, {1375.0894, 14.895823, "Meta"} -> 
    {{1050571, 39531, 26388}, {"", ""}}, {469.413, 14.892142, "Meta"} -> 
    {{345988, 117523, 608303}, {"", ""}}, {280.2035, 14.893897, "Meta"} -> 
    {{88884, 27932, 171975}, 
     {"12S-HHTrE [ C17 H28 O3, db=88.18, overall=44.09, KEGG ID=, CAS ID= ]", 
      ""}}, {2113.588, 14.897228, "Meta"} -> {{110402, 28493, 1}, {"", ""}}, 
   {1292.0153, 14.903293, "Meta"} -> {{296306, 1, 1}, {"", ""}}, 
   {2139.604, 14.913654, "Meta"} -> {{320464, 95753, 48882}, {"", ""}}, 
   {1521.0576, 14.912457, "Meta"} -> {{30245, 1, 1}, {"", ""}}, 
   {738.4997, 14.919686, "Meta"} -> {{1, 664253, 561469}, {"", ""}}, 
   {1885.4286, 14.923374, "Meta"} -> {{36183, 1, 1}, {"", ""}}, 
   {892.7136, 14.926122, "Meta"} -> {{206002, 51799, 461024}, {"", ""}}, 
   {406.3781, 14.850402, "Meta"} -> {{57132, 17231, 1}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=63.39, \
overall=31.69, Lipid ID=, KEGG ID= ]", ""}}, {607.4578, 14.934502, "Meta"} -> 
    {{130394, 1, 1}, {"", ""}}, {1389.1053, 14.947632, "Meta"} -> 
    {{1286006, 30628, 1}, {"", ""}}, {1363.0868, 14.951377, "Meta"} -> 
    {{127580, 1, 1}, {"", ""}}, {1415.0522, 14.961962, "Meta"} -> 
    {{169732, 55579, 44356}, {"", ""}}, {857.512, 14.964919, "Meta"} -> 
    {{79907, 1, 1}, {"", ""}}, {1142.867, 14.976418, "Meta"} -> 
    {{18706, 1, 1}, {"", ""}}, {1266.9861, 14.97788, "Meta"} -> 
    {{57547, 1, 1}, {"", ""}}, {1154.8688, 14.982498, "Meta"} -> 
    {{47440, 1, 1}, {"", ""}}, {390.277, 15.002232, "Meta"} -> 
    {{521062, 1, 141927}, {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ \
C24 H38 O4, db=85.91, overall=42.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {752.5832, 15.019201, "Meta"} -> {{82626, 1, 1}, {"", ""}}, 
   {484.3526, 15.004758, "Meta"} -> {{1, 45859, 41849}, 
     {"(22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimethyl-23,24-tetradehydro-\
20-epivitamin D3 / (22S)-1alph [ C31 H48 O4, db=66.11, overall=33.06, Lipid \
ID=LMST03020487, KEGG ID= ]", ""}}, {367.3811, 15.008845, "Meta"} -> 
    {{53554, 1, 1}, {"", ""}}, {677.5002, 15.038733, "Meta"} -> 
    {{343866, 52964, 92655}, {"GPEtn(13:0/18:0)[U] [ C36 H72 N O8 P, \
db=95.91, overall=47.95, Lipid ID=LMGP02010240, KEGG ID= ]", ""}}, 
   {1391.1198, 15.0320015, "Meta"} -> {{256708, 29332, 1}, {"", ""}}, 
   {1454.0837, 15.034749, "Meta"} -> {{99088, 1, 1}, {"", ""}}, 
   {1380.0681, 15.047085, "Meta"} -> {{182329, 1, 1}, {"", ""}}, 
   {755.4903, 15.05794, "Meta"} -> {{172238, 159695, 127300}, {"", ""}}, 
   {784.5607, 15.058108, "Meta"} -> {{61561, 62843, 64592}, {"", ""}}, 
   {758.4878, 15.060915, "Meta"} -> {{535277, 353538, 313306}, {"", ""}}, 
   {818.5122, 15.060144, "Meta"} -> {{166213, 242031, 185941}, {"", ""}}, 
   {737.5, 15.062039, "Meta"} -> {{211493, 117315, 75483}, {"", ""}}, 
   {1283.0142, 15.076242, "Meta"} -> {{110597, 298679, 162500}, {"", ""}}, 
   {2171.6577, 15.092257, "Meta"} -> {{89070, 91347, 1}, {"", ""}}, 
   {995.0105, 15.10904, "Meta"} -> {{1, 48791, 49713}, {"", ""}}, 
   {488.4462, 15.100375, "Meta"} -> {{11665, 1, 1}, {"", ""}}, 
   {1469.0988, 15.108223, "Meta"} -> {{234235, 179647, 144286}, {"", ""}}, 
   {1506.1136, 15.1095, "Meta"} -> {{468480, 33455, 1}, {"", ""}}, 
   {471.3568, 15.111719, "Meta"} -> {{34630, 1, 1}, {"", ""}}, 
   {1322.0612, 15.118584, "Meta"} -> {{43624, 1, 1}, {"", ""}}, 
   {828.6716, 15.138119, "Meta"} -> {{77792, 47496, 1}, {"", ""}}, 
   {593.4785, 15.136201, "Meta"} -> {{386750, 155575, 1}, {"", ""}}, 
   {697.5053, 15.145536, "Meta"} -> {{32957, 1, 1}, 
     {"1-tetrahexanoyl-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolam\
ine [ C39 H72 N O7 P, db=68.26, overall=34.13, Lipid ID=, KEGG ID= ]", ""}}, 
   {803.5472, 15.149806, "Meta"} -> {{3517449, 1053997, 1}, {"", ""}}, 
   {619.4939, 15.1440735, "Meta"} -> {{95155, 49071, 38036}, 
     {"CerP(d18:0/16:0) [ C34 H70 N O6 P, db=93.09, overall=46.55, Lipid \
ID=LMSP02050003, KEGG ID= ]", ""}}, {558.4257, 15.139498, "Meta"} -> 
    {{30490, 1, 20824}, {"", ""}}, {622.4963, 15.142163, "Meta"} -> 
    {{25792, 1, 1}, {"", ""}}, {820.6892, 15.14996, "Meta"} -> 
    {{35354, 1, 1}, {"", ""}}, {893.5938, 15.154918, "Meta"} -> 
    {{164052, 1, 1}, {"", ""}}, {663.5204, 15.159599, "Meta"} -> 
    {{46628, 25399, 1}, {"", ""}}, {779.5471, 15.188432, "Meta"} -> 
    {{4.29*^7, 1.72*^7, 1.36*^7}, {"", ""}}, {851.5445, 15.182407, "Meta"} -> 
    {{53057, 1, 166037}, {"", ""}}, {805.5616, 15.247258, "Meta"} -> 
    {{1.06*^7, 1.09*^7, 1.01*^7}, {"Galabiosylceramide (d18:1/12:0) [ C42 H79 \
N O13, db=66.51, overall=33.26, HMP ID=HMDB04831, KEGG ID= ]", ""}}, 
   {1489.1093, 15.274734, "Meta"} -> {{501749, 241739, 219892}, {"", ""}}, 
   {719.5459, 15.309272, "Meta"} -> {{35246, 53017, 62804}, 
     {"GPEtn(20:0/14:0)[U] [ C39 H78 N O8 P, db=86.95, overall=43.48, Lipid \
ID=LMGP02010177, KEGG ID= ]", ""}}, {1571.0496, 15.31023, "Meta"} -> 
    {{87582, 204144, 310961}, {"", ""}}, {725.5362, 15.288499, "Meta"} -> 
    {{75207, 396188, 1}, {"", ""}}, {873.5031, 15.313261, "Meta"} -> 
    {{103125, 226296, 216060}, {"", ""}}, {756.6148, 15.312764, "Meta"} -> 
    {{463158, 742676, 554267}, {"", ""}}, {1547.1289, 15.317959, "Meta"} -> 
    {{251168, 1, 1}, {"", ""}}, {1573.1439, 15.344415, "Meta"} -> 
    {{379952, 139357, 1}, {"", ""}}, {1549.1458, 15.37693, "Meta"} -> 
    {{2187691, 1, 396905}, {"", ""}}, {782.6284, 15.348928, "Meta"} -> 
    {{166969, 1, 1}, {"", ""}}, {952.5369, 15.360694, "Meta"} -> 
    {{53370, 1, 1}, {"", ""}}, {1525.1418, 15.393956, "Meta"} -> 
    {{916266, 489103, 197961}, {"", ""}}, {1491.1252, 15.387623, "Meta"} -> 
    {{56445, 1, 21448}, {"", ""}}, {775.5518, 15.381926, "Meta"} -> 
    {{238905, 729133, 1}, {"", ""}}, {875.5185, 15.418427, "Meta"} -> 
    {{63585, 1, 196080}, {"", ""}}, {1595.19, 15.493964, "Meta"} -> 
    {{1201760, 418342, 79425}, {"", ""}}, {1579.1923, 15.52975, "Meta"} -> 
    {{959121, 1, 1}, {"", ""}}, {954.5526, 15.542758, "Meta"} -> 
    {{206344, 292628, 1}, {"", ""}}, {1557.2059, 15.597347, "Meta"} -> 
    {{385625, 62028, 1}, {"", ""}}, {909.5775, 15.618968, "Meta"} -> 
    {{130063, 188510, 1}, {"", ""}}, {1573.2028, 15.661559, "Meta"} -> 
    {{433732, 1, 1}, {"", ""}}, {1559.2216, 15.669201, "Meta"} -> 
    {{292295, 1, 129101}, {"", ""}}, {602.5269, 15.669942, "Meta"} -> 
    {{19888, 1, 18860}, {"1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octa\
nyl)-sn-glycerol [ C39 H70 O4, db=63.29, overall=31.64, Lipid ID=, KEGG ID= \
]", ""}}, {843.6118, 15.722835, "Meta"} -> {{851973, 1, 1}, {"", ""}}, 
   {834.6468, 15.719202, "Meta"} -> {{55665, 17613, 1}, {"", ""}}, 
   {621.6059, 15.754334, "Meta"} -> {{44511, 26165, 1}, 
     {"Ceramide (d18:1/22:0) [ C40 H79 N O3, db=87.19, overall=43.60, HMP \
ID=HMDB04952, KEGG ID= ]", ""}}, {838.6273, 15.792639, "Meta"} -> 
    {{89725, 47173, 1}, {"GPCho(20:0/20:4(5Z,8Z,11Z,14Z)) [ C48 H89 N O8 P, \
db=55.85, overall=27.93, Lipid ID=LMGP01011023, KEGG ID= ]", ""}}, 
   {656.5704, 15.817416, "Meta"} -> {{1, 1, 61179}, {"", ""}}, 
   {582.4434, 15.824362, "Meta"} -> {{35081, 1, 1}, 
     {"Spheroidenone [ C41 H58 O2, db=89.48, overall=44.74, Lipid \
ID=LMPR01070121, KEGG ID= ]", ""}}, {604.5427, 15.825538, "Meta"} -> 
    {{31909, 1, 12794}, {"", ""}}, {639.5801, 15.833317, "Meta"} -> 
    {{66122, 18524, 28651}, {"", ""}}, {635.6218, 15.840301, "Meta"} -> 
    {{134028, 22262, 16345}, {"Tricosanamide [ C41 H81 N O3, db=95.86, \
overall=47.93, HMP ID=HMDB00950, KEGG ID= ]", ""}}, 
   {747.6132, 15.858359, "Meta"} -> {{254641, 49225, 1}, {"", ""}}, 
   {564.3964, 15.855876, "Meta"} -> {{57060, 1, 1}, 
     {"Alloxanthin/ Tetradehydrozeaxanthin / (Cynthiaxanthin)/ \
(Pectenoxanthin) [ C40 H52 O2, db=83.49, overall=41.74, Lipid \
ID=LMPR01070053, KEGG ID= ]", ""}}, {873.6609, 15.903295, "Meta"} -> 
    {{1384613, 247009, 271962}, {"", ""}}, {840.7075, 15.923631, "Meta"} -> 
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    {{417601, 1, 84303}, {"", ""}}, {624.5694, 16.028141, "Meta"} -> 
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   {793.5295, 16.028925, "Meta"} -> {{64156, 1, 28859}, {"", ""}}, 
   {684.6018, 16.037434, "Meta"} -> {{120579, 42992, 63455}, {"", ""}}, 
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   {851.6773, 16.1885, "Meta"} -> {{2859463, 404856, 1}, {"", ""}}, 
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   {915.6391, 16.21967, "Meta"} -> {{325651, 1, 1}, {"", ""}}, 
   {674.5822, 16.300085, "Meta"} -> {{52222, 1, 1}, 
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   {669.6272, 16.306915, "Meta"} -> {{25743, 1, 1}, {"", ""}}, 
   {599.7973, 0.40380767, "Meta"} -> {{20469, 1, 21432}, {"", ""}}, 
   {657.758, 0.40885717, "Meta"} -> {{22543, 22458, 1}, {"", ""}}, 
   {294.0586, 0.8043199, "Meta"} -> {{1, 95324, 99554}, 
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   {398.103, 10.056501, "Meta"} -> {{201777, 193090, 188163}, 
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   {354.2764, 13.447666, "Meta"} -> {{172087, 55872, 172803}, 
     {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 O4, db=81.00, \
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    {{28176, 64384, 64492}, {"3alpha-Hydroxy-1,7-dioxo-5beta-cholan-24-oic \
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   {924.666, 13.533161, "Meta"} -> {{75389, 113413, 131201}, {"", ""}}, 
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   {1290.8967, 13.782408, "Meta"} -> {{96096, 339576, 381203}, {"", ""}}, 
   {635.9026, 13.919742, "Meta"} -> {{99357, 127695, 116044}, {"", ""}}, 
   {635.3999, 13.91975, "Meta"} -> {{196447, 242983, 207410}, {"", ""}}, 
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   {1320.8715, 14.194332, "Meta"} -> {{182511, 126081, 131862}, {"", ""}}, 
   {380.2015, 14.26752, "Meta"} -> {{29889, 19068, 15446}, 
     {"fludrocortisone [ C21 H29 F O5, db=74.03, overall=37.01, KEGG \
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    {{66966, 1, 56057}, {"", ""}}, {356.3763, 14.378928, "Meta"} -> 
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    {{20662, 44497, 37359}, {"Cinnarizine [ C26 H28 N2, db=69.13, \
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   {1917.3203, 14.597922, "Meta"} -> {{1, 74618, 47056}, {"", ""}}, 
   {647.4032, 14.609459, "Meta"} -> {{171570, 212383, 293926}, {"", ""}}, 
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   {1443.0833, 15.060664, "Meta"} -> {{1137145, 886285, 783697}, {"", ""}}, 
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   {841.5162, 15.547038, "Meta"} -> {{65640, 98631, 111113}, {"", ""}}, 
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   {3109.9707, 13.280482, "Meta"} -> {{195831, 59432, 89828}, {"", ""}}, 
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   {1457.1663, 15.1218405, "Meta"} -> {{1234428, 104700, 33387}, {"", ""}}, 
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   {467.2173, 13.542123, "Meta"} -> {{32098, 1, 1}, 
     {"Levobunolol glucuronide [ C23 H33 N O9, db=57.86, overall=28.93, KEGG \
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    {{54564, 41469, 1}, {"", ""}}, {356.2327, 13.884462, "Meta"} -> 
    {{28401, 1, 11104}, {"Estradiol valerate [ C23 H32 O3, db=46.24, \
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   {406.3805, 14.560919, "Meta"} -> {{30701, 12653, 1}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=58.66, \
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    {{55641, 1, 34423}, {"", ""}}|>, 
 "15" -> <|{202.0329, 0.33260712, "Meta"} -> {{1, 442127, 299565}, {"", ""}}, 
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   {942.9842, 0.34920588, "Meta"} -> {{156166, 150115, 127819}, {"", ""}}, 
   {146.1052, 0.34577778, "Meta"} -> {{127022, 110307, 109838}, 
     {"Lysine [ C6 H14 N2 O2, db=85.61, overall=42.81, KEGG ID=C00047, CAS \
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    {{17450, 16106, 15273}, {"", ""}}, {507.9825, 0.35863888, "Meta"} -> 
    {{24654, 20520, 20484}, {"Inosine triphosphate [ C10 H15 N4 O14 P3, \
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   {656.0118, 0.36025003, "Meta"} -> {{42951, 18900, 1}, {"", ""}}, 
   {738.0146, 0.3612308, "Meta"} -> {{21158, 1, 1}, {"", ""}}, 
   {1278.0948, 0.3672727, "Meta"} -> {{16210, 15875, 13132}, {"", ""}}, 
   {436.0787, 0.36760005, "Meta"} -> {{33918, 31987, 31373}, {"", ""}}, 
   {340.0591, 0.3675589, "Meta"} -> {{40667, 40849, 36152}, {"", ""}}, 
   {600.0828, 0.36788896, "Meta"} -> {{57818, 52035, 52434}, {"", ""}}, 
   {586.0686, 0.36716667, "Meta"} -> {{28848, 26977, 26659}, {"", ""}}, 
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   {682.0872, 0.36725715, "Meta"} -> {{24142, 20707, 20731}, {"", ""}}, 
   {518.081, 0.36761123, "Meta"} -> {{61326, 52805, 53277}, {"", ""}}, 
   {168.0872, 0.36461288, "Meta"} -> {{101913, 46652, 1}, {"", ""}}, 
   {354.0757, 0.36960006, "Meta"} -> {{104236, 99389, 101087}, 
     {"N-Desmethylketazolam [ C19 H15 Cl N2 O3, db=61.05, overall=30.52, KEGG \
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    {{1, 1, 11248}, {"", ""}}, {1442.1014, 0.36745453, "Meta"} -> 
    {{15264, 15476, 17130}, {"", ""}}, {1110.0033, 0.36859375, "Meta"} -> 
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   {103.9855, 0.37086117, "Meta"} -> {{1482946, 1471122, 1469063}, {"", ""}}, 
   {842.5152, 0.37236363, "Meta"} -> {{54208, 53301, 57904}, 
     {"Spiramycin 1 [ C43 H74 N2 O14, db=50.52, overall=25.26, KEGG \
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   {1274.0109, 0.37162504, "Meta"} -> {{185440, 172878, 178484}, {"", ""}}, 
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   {1848.0302, 0.37174284, "Meta"} -> {{301351, 282480, 293305}, {"", ""}}, 
   {678.5085, 0.37215626, "Meta"} -> {{48779, 46246, 46844}, 
     {"GPCho(14:0/14:0[U]) [ C36 H73 N O8 P, db=51.87, overall=25.93, Lipid \
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    {{996700, 972525, 1014422}, {"", ""}}, {760.0074, 0.3722353, "Meta"} -> 
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   {2012.0356, 0.37163636, "Meta"} -> {{239718, 220068, 241715}, {"", ""}}, 
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   {1766.0236, 0.37175757, "Meta"} -> {{154173, 147553, 161955}, {"", ""}}, 
   {1438.0165, 0.37166667, "Meta"} -> {{210914, 198285, 208541}, {"", ""}}, 
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   {2340.0415, 0.3715, "Meta"} -> {{63025, 60741, 63890}, {"", ""}}, 
   {1617.9949, 0.37353334, "Meta"} -> {{47036, 50517, 52836}, {"", ""}}, 
   {842.0098, 0.37212902, "Meta"} -> {{464215, 466752, 475320}, {"", ""}}, 
   {596.003, 0.3728823, "Meta"} -> {{1520280, 1517718, 1576295}, {"", ""}}, 
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   {514.0034, 0.37308568, "Meta"} -> {{2978412, 2935416, 3036563}, {"", ""}}, 
   {267.9908, 0.3730278, "Meta"} -> {{5841378, 5597318, 5684328}, {"", ""}}, 
   {2110.02, 0.37291667, "Meta"} -> {{22825, 21661, 22579}, {"", ""}}, 
   {1535.9908, 0.37340006, "Meta"} -> {{41396, 44786, 42324}, {"", ""}}, 
   {1371.9957, 0.3735173, "Meta"} -> {{39976, 35225, 38210}, {"", ""}}, 
   {1864.011, 0.3730323, "Meta"} -> {{32716, 41162, 37204}, {"", ""}}, 
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   {529.9721, 0.37509674, "Meta"} -> {{217933, 222772, 223267}, {"", ""}}, 
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   {1167.9846, 0.38393104, "Meta"} -> {{34184, 1, 36409}, {"", ""}}, 
   {571.9606, 0.3881667, "Meta"} -> {{203409, 193325, 209932}, {"", ""}}, 
   {489.9575, 0.38891178, "Meta"} -> {{278430, 286173, 289614}, {"", ""}}, 
   {407.9539, 0.38981822, "Meta"} -> {{1, 340466, 328775}, {"", ""}}, 
   {325.9501, 0.3924723, "Meta"} -> {{256187, 255558, 241611}, {"", ""}}, 
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   {259.9214, 0.39474198, "Meta"} -> {{134528, 146311, 144509}, {"", ""}}, 
   {605.8735, 0.39525005, "Meta"} -> {{115309, 114589, 101434}, {"", ""}}, 
   {243.9473, 0.3973611, "Meta"} -> {{1315961, 1344639, 1310383}, {"", ""}}, 
   {383.9092, 0.39772224, "Meta"} -> {{156618, 230818, 240583}, {"", ""}}, 
   {523.872, 0.3975429, "Meta"} -> {{132357, 158695, 152769}, {"", ""}}, 
   {581.8306, 0.40027776, "Meta"} -> {{140960, 140035, 139108}, {"", ""}}, 
   {639.7888, 0.40351427, "Meta"} -> {{112953, 119991, 118145}, {"", ""}}, 
   {441.8685, 0.4018334, "Meta"} -> {{232936, 228541, 223710}, {"", ""}}, 
   {697.7475, 0.40715998, "Meta"} -> {{95837, 100031, 1}, {"", ""}}, 
   {499.8273, 0.40608332, "Meta"} -> {{180366, 182797, 179048}, {"", ""}}, 
   {615.7448, 0.40847063, "Meta"} -> {{144113, 138975, 146820}, {"", ""}}, 
   {301.9058, 0.40786114, "Meta"} -> {{265854, 268283, 258445}, {"", ""}}, 
   {673.7031, 0.41129026, "Meta"} -> {{98158, 97541, 93173}, {"", ""}}, 
   {359.8649, 0.41030556, "Meta"} -> {{210308, 199486, 195535}, {"", ""}}, 
   {417.8229, 0.4105714, "Meta"} -> {{215464, 219349, 218496}, {"", ""}}, 
   {755.7073, 0.41121435, "Meta"} -> {{1, 73612, 1}, {"", ""}}, 
   {475.7822, 0.41099995, "Meta"} -> {{163318, 161507, 169107}, {"", ""}}, 
   {575.7568, 0.41006452, "Meta"} -> {{13351, 24461, 30046}, {"", ""}}, 
   {219.9025, 0.4121111, "Meta"} -> {{497240, 493414, 477201}, {"", ""}}, 
   {651.6545, 0.41184002, "Meta"} -> {{46803, 43686, 1}, 
     {"Cer(d18:0/24:0) [ C42 H85 N O3, db=58.22, overall=29.11, Lipid \
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    {{78524, 89532, 92851}, {"", ""}}, {277.8617, 0.41355553, "Meta"} -> 
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    {{56451, 47242, 46109}, {"Sertraline Carbamic acid glucuronide [ C24 H25 \
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      "119733-44-7"}}, {377.0618, 0.41700003, "Meta"} -> 
    {{24248, 22651, 22234}, {"", ""}}, {295.0595, 0.42075, "Meta"} -> 
    {{158263, 139782, 139004}, {"5-Aminoimidazole ribonucleotide [ C8 H14 N3 \
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   {361.0891, 0.4204722, "Meta"} -> {{330884, 276457, 267648}, 
     {"His Cys Cys [ C12 H19 N5 O4 S2, db=74.60, overall=37.30 ]", ""}}, 
   {443.0923, 0.42244443, "Meta"} -> {{71474, 60906, 54850}, {"", ""}}, 
   {536.1894, 0.42578793, "Meta"} -> {{54444, 33858, 29606}, {"", ""}}, 
   {342.008, 0.44034287, "Meta"} -> {{57765, 66188, 52471}, {"", ""}}, 
   {279.085, 0.43405554, "Meta"} -> {{1532199, 956652, 1054888}, {"", ""}}, 
   {284.0491, 0.4420606, "Meta"} -> {{76819, 64365, 1}, {"", ""}}, 
   {103.0999, 0.44377777, "Meta"} -> {{234569, 158617, 162115}, {"", ""}}, 
   {481.9704, 0.44212005, "Meta"} -> {{10596, 10542, 11289}, {"", ""}}, 
   {183.0875, 0.44372222, "Meta"} -> {{358385, 373593, 378769}, {"", ""}}, 
   {224.0281, 0.4447647, "Meta"} -> {{161400, 204218, 162963}, 
     {"Cys Cys [ C6 H12 N2 O3 S2, db=64.23, overall=32.11 ]", ""}}, 
   {457.0211, 0.45377782, "Meta"} -> {{1, 11579, 12810}, {"", ""}}, 
   {135.0411, 0.4499394, "Meta"} -> {{943609, 861802, 917560}, {"", ""}}, 
   {262.078, 0.45158333, "Meta"} -> {{399120, 367652, 370042}, 
     {"Asp Glu [ C9 H14 N2 O7, db=81.80, overall=40.90 ]", ""}}, 
   {202.0446, 0.45386112, "Meta"} -> {{8285651, 7926219, 8012552}, {"", ""}}, 
   {159.0275, 0.45163885, "Meta"} -> {{144553, 121269, 128633}, {"", ""}}, 
   {220.1785, 0.4556666, "Meta"} -> {{163790, 129351, 130382}, {"", ""}}, 
   {404.092, 0.45348275, "Meta"} -> {{1, 42219, 50216}, {"", ""}}, 
   {315.1044, 0.4536389, "Meta"} -> {{313290, 283587, 289890}, {"", ""}}, 
   {320.036, 0.4549231, "Meta"} -> {{1, 30394, 30805}, {"", ""}}, 
   {382.1086, 0.45669445, "Meta"} -> {{3024828, 3048071, 3088161}, {"", ""}}, 
   {396.1638, 0.4501666, "Meta"} -> {{15366, 1, 1}, 
     {"Asn Tyr Thr [ C17 H24 N4 O7, db=83.05, overall=41.53 ]", ""}}, 
   {113.059, 0.45647225, "Meta"} -> {{784989, 424600, 570663}, 
     {"Creatinine [ C4 H7 N3 O, db=69.36, overall=34.68, KEGG ID=C00791, CAS \
ID=60-27-5 ]", "60-27-5"}}, {339.0908, 0.4577187, "Meta"} -> 
    {{26913, 24422, 24402}, 
     {"Cys Ser Met [ C11 H21 N3 O5 S2, db=57.09, overall=28.54 ]", ""}}, 
   {337.0433, 0.45780003, "Meta"} -> {{182370, 115966, 115828}, 
     {"Famotidine [ C8 H15 N7 O2 S3, db=57.43, overall=28.71, KEGG ID=C06994, \
CAS ID=76824-35-6 ]", "76824-35-6"}}, {114.0292, 0.45835483, "Meta"} -> 
    {{107793, 87536, 86705}, {"", ""}}, {174.1111, 0.46506065, "Meta"} -> 
    {{79847, 86938, 70727}, {"Arginine [ C6 H14 N4 O2, db=51.57, \
overall=25.79, KEGG ID=C00062, CAS ID=74-79-3 ]", "74-79-3"}}, 
   {131.0692, 0.46048486, "Meta"} -> {{405212, 370562, 411662}, 
     {"Creatine [ C4 H9 N3 O2, db=99.16, overall=49.58, KEGG ID=C00300, CAS \
ID=6020-87-7 ]", "6020-87-7"}}, {317.9624, 0.46102777, "Meta"} -> 
    {{205683, 211353, 206026}, {"", ""}}, {260.0039, 0.4610556, "Meta"} -> 
    {{588885, 592058, 575533}, {"", ""}}, {139.0609, 0.45847225, "Meta"} -> 
    {{1458110, 1096151, 1316544}, {"", ""}}, 
   {375.9207, 0.46166673, "Meta"} -> {{165070, 162943, 159606}, {"", ""}}, 
   {498.0259, 0.46341926, "Meta"} -> {{43977, 43104, 41319}, {"", ""}}, 
   {161.1053, 0.46408334, "Meta"} -> {{1798717, 1605313, 1623610}, {"", ""}}, 
   {366.1134, 0.4641667, "Meta"} -> {{73732, 62166, 65576}, {"", ""}}, 
   {440.0675, 0.46469444, "Meta"} -> {{153507, 161304, 160711}, {"", ""}}, 
   {175.0959, 0.4649032, "Meta"} -> {{25015, 1, 37338}, 
     {"Citrulline [ C6 H13 N3 O3, db=47.39, overall=23.69, KEGG ID=C00327, \
CAS ID=372-75-8 ]", "372-75-8"}}, {115.0636, 0.4639722, "Meta"} -> 
    {{1218822, 1285996, 1272210}, {"Proline [ C5 H9 N O2, db=87.30, \
overall=43.65, KEGG ID=C00148, CAS ID=147-85-3 ]", "147-85-3"}}, 
   {256.1436, 0.4642592, "Meta"} -> {{165268, 163355, 159194}, {"", ""}}, 
   {399.0646, 0.4658, "Meta"} -> {{52989, 45111, 48600}, {"", ""}}, 
   {192.1473, 0.46303123, "Meta"} -> {{51298, 45777, 47449}, {"", ""}}, 
   {341.1066, 0.46715382, "Meta"} -> {{1, 41354, 43049}, 
     {"Tyr Cys Gly [ C14 H19 N3 O5 S, db=77.47, overall=38.73 ]", ""}}, 
   {248.1483, 0.46862853, "Meta"} -> {{56530, 63905, 63809}, {"", ""}}, 
   {159.1256, 0.47108328, "Meta"} -> {{252614, 250279, 246375}, 
     {"DL-2-Aminooctanoic acid [ C8 H17 N O2, db=86.92, overall=43.46, HMP \
ID=HMDB00991, KEGG ID= ]", ""}}, {60.0325, 0.47265622, "Meta"} -> 
    {{434325, 426586, 257316}, {"Urea [ C H4 N2 O, db=87.80, overall=43.90, \
KEGG ID=C00086, CAS ID=57-13-6 ]", "57-13-6"}}, 
   {297.1425, 0.47046667, "Meta"} -> {{66965, 264000, 264962}, 
     {"Ala His Ala [ C12 H19 N5 O4, db=91.10, overall=45.55 ]", ""}}, 
   {117.0784, 0.47286117, "Meta"} -> {{6491509, 6211595, 6198250}, 
     {"5-Aminopentanoic acid [ C5 H11 N O2, db=96.95, overall=48.48, HMP \
ID=HMDB03355, KEGG ID= ]", ""}}, {222.0852, 0.47502783, "Meta"} -> 
    {{63031, 77248, 83394}, {"", ""}}, {302.184, 0.47386664, "Meta"} -> 
    {{22548, 1, 24041}, {"", ""}}, {240.0955, 0.47499996, "Meta"} -> 
    {{64303, 63035, 65254}, {"", ""}}, {143.0945, 0.4738333, "Meta"} -> 
    {{1851926, 1896231, 1910394}, {"Triparanol [ C7 H13 N O2, db=69.83, \
overall=34.92, HMP ID=HMDB01378, KEGG ID= ]", ""}}, 
   {228.1473, 0.47896966, "Meta"} -> {{325282, 290900, 306960}, 
     {"Leu Pro [ C11 H20 N2 O3, db=61.48, overall=30.74 ]", ""}}, 
   {257.1031, 0.48044443, "Meta"} -> {{733286, 513761, 533105}, 
     {"5-Methylcytidine [ C10 H15 N3 O5, db=85.28, overall=42.64, HMP \
ID=HMDB00982, KEGG ID=, CAS ID=2140-61-6 ]", "2140-61-6"}}, 
   {71.074, 0.48255876, "Meta"} -> {{1077804, 964421, 985209}, {"", ""}}, 
   {157.1101, 0.4915172, "Meta"} -> {{45451, 53653, 48973}, 
     {"Tranexamic acid [ C8 H15 N O2, db=82.75, overall=41.37, KEGG \
ID=C12535, CAS ID=1197-18-8 ]", "1197-18-8"}}, 
   {144.042, 0.48648572, "Meta"} -> {{89399, 114368, 97258}, 
     {"(E)-2-Methylglutaconic acid [ C6 H8 O4, db=81.83, overall=40.91, HMP \
ID=HMDB02266, KEGG ID= ]", ""}}, {240.1471, 0.48564285, "Meta"} -> 
    {{22988, 26678, 28790}, {"", ""}}, {162.0524, 0.48472, "Meta"} -> 
    {{1, 145003, 1}, {"2-Hydroxyadipic acid [ C6 H10 O5, db=74.88, \
overall=37.44, HMP ID=HMDB00321, KEGG ID= ]", ""}}, 
   {307.0891, 0.4947, "Meta"} -> {{29732, 23846, 26130}, 
     {"Succinyllipoic acid [ C12 H21 N O4 S2, db=34.62, overall=17.31, HMP \
ID=HMDB01012, KEGG ID= ]", ""}}, {247.9688, 0.49561107, "Meta"} -> 
    {{278865, 93921, 173470}, {"", ""}}, {198.0384, 0.50133336, "Meta"} -> 
    {{132287, 139780, 158616}, {"", ""}}, {168.0283, 0.50608325, "Meta"} -> 
    {{1810441, 1693386, 1837299}, {"Uric acid [ C5 H4 N4 O3, db=97.37, \
overall=48.69, KEGG ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, 
   {191.0248, 0.5051143, "Meta"} -> {{1, 118750, 138291}, {"", ""}}, 
   {348.0916, 0.5082572, "Meta"} -> {{95510, 100531, 101419}, {"", ""}}, 
   {280.0422, 0.50655884, "Meta"} -> {{72552, 43247, 60786}, {"", ""}}, 
   {133.9952, 0.5028, "Meta"} -> {{1, 291855, 292435}, {"", ""}}, 
   {129.0423, 0.50794446, "Meta"} -> {{380939, 550731, 476204}, 
     {"Pyroglutamic acid [ C5 H7 N O3, db=86.82, overall=43.41, KEGG \
ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, {309.1056, 0.5132, "Meta"} -> 
    {{28990, 1, 35162}, {"N-Acetyl-a-neuraminic acid [ C11 H19 N O9, \
db=51.18, overall=25.59, HMP ID=HMDB00773, KEGG ID= ]", ""}}, 
   {548.0497, 0.5119356, "Meta"} -> {{55457, 33742, 41544}, {"", ""}}, 
   {112.0135, 0.51612, "Meta"} -> {{1608444, 957211, 961551}, {"", ""}}, 
   {396.0151, 0.5267038, "Meta"} -> {{100621, 34917, 36858}, {"", ""}}, 
   {393.0659, 0.53931427, "Meta"} -> {{100625, 79232, 83008}, 
     {"5-Hydroxythiabendazole glucuronide [ C16 H15 N3 O7 S, db=55.85, \
overall=27.93, KEGG ID=, CAS ID=6801-82-7 ]", "6801-82-7"}}, 
   {185.1047, 0.54106057, "Meta"} -> {{83920, 71135, 1}, 
     {"Ecgonine [ C9 H15 N O3, db=82.32, overall=41.16, KEGG ID=, CAS \
ID=481-37-8 ]", "481-37-8"}}, {159.068, 0.54042304, "Meta"} -> 
    {{45000, 36570, 1}, {"Indoleacetaldehyde [ C10 H9 N O, db=55.69, \
overall=27.85, HMP ID=HMDB01190, KEGG ID= ]", ""}}, 
   {132.0244, 0.54202855, "Meta"} -> {{145887, 123456, 122982}, {"", ""}}, 
   {149.0507, 0.54125, "Meta"} -> {{1458492, 1211088, 1201088}, 
     {"Methionine [ C5 H11 N O2 S, db=99.04, overall=49.52, KEGG ID=C00073, \
CAS ID=63-68-3 ]", "63-68-3"}}, {279.1315, 0.54772216, "Meta"} -> 
    {{116776, 196923, 162002}, {"", ""}}, {164.047, 0.5517223, "Meta"} -> 
    {{284822, 363108, 378149}, {"p-Coumaric acid [ C9 H8 O3, db=86.35, \
overall=43.17, KEGG ID=, CAS ID=7400-08-0 ]", "7400-08-0"}}, 
   {181.0737, 0.5518889, "Meta"} -> {{3283930, 2948027, 2820508}, 
     {"Tyrosine [ C9 H11 N O3, db=99.43, overall=49.71, KEGG ID=C00082, CAS \
ID=60-18-4 ]", "60-18-4"}}, {122.0354, 0.55100006, "Meta"} -> 
    {{319477, 275340, 290819}, {"", ""}}, {321.1047, 0.5580909, "Meta"} -> 
    {{190946, 128187, 100885}, {"", ""}}, {311.1578, 0.55884373, "Meta"} -> 
    {{450480, 353915, 106952}, 
     {"Gly Val His [ C13 H21 N5 O4, db=80.96, overall=40.48 ]", ""}}, 
   {131.0946, 0.5592222, "Meta"} -> {{3.29*^7, 2.73*^7, 2.73*^7}, 
     {"Leucine [ C6 H13 N O2, db=99.82, overall=49.91, KEGG ID=C00123, CAS \
ID=61-90-5 ]", "61-90-5"}}, {85.0889, 0.5585, "Meta"} -> 
    {{4079200, 3394963, 3401452}, {"", ""}}, 
   {175.0582, 0.55870366, "Meta"} -> {{303419, 1, 219439}, 
     {"Guanidinosuccinic Acid [ C5 H9 N3 O4, db=74.59, overall=37.29, KEGG \
ID=C03139, CAS ID=6133-30-8 ]", "6133-30-8"}}, 
   {230.0767, 0.58708334, "Meta"} -> {{53889, 55289, 46946}, {"", ""}}, 
   {124.0136, 0.573853, "Meta"} -> {{130051, 52258, 53252}, {"", ""}}, 
   {262.1892, 0.5915186, "Meta"} -> {{180850, 131758, 148502}, {"", ""}}, 
   {315.1291, 0.6577931, "Meta"} -> {{28037, 42752, 30125}, {"", ""}}, 
   {181.0738, 0.63259375, "Meta"} -> {{1, 1178283, 1402618}, 
     {"Tyrosine [ C9 H11 N O3, db=99.69, overall=49.85, KEGG ID=C00082, CAS \
ID=60-18-4 ]", "60-18-4"}}, {321.1046, 0.64432, "Meta"} -> 
    {{33416, 1, 61412}, {"", ""}}, {262.1526, 0.64625, "Meta"} -> 
    {{32714, 24946, 29842}, {"", ""}}, {85.0891, 0.65061104, "Meta"} -> 
    {{3778852, 3231712, 3288342}, {"", ""}}, 
   {131.0943, 0.65075004, "Meta"} -> {{2.73*^7, 2.61*^7, 2.69*^7}, 
     {"Leucine [ C6 H13 N O2, db=98.20, overall=49.10, KEGG ID=C00123, CAS \
ID=61-90-5 ]", "61-90-5"}}, {184.0232, 0.6469033, "Meta"} -> 
    {{412680, 499137, 496426}, {"", ""}}, {396.0152, 0.65655553, "Meta"} -> 
    {{65887, 64506, 59781}, {"", ""}}, {198.0385, 0.6591563, "Meta"} -> 
    {{72932, 101582, 66596}, {"", ""}}, {366.1426, 0.73793095, "Meta"} -> 
    {{71255, 24010, 24935}, {"", ""}}, {564.0432, 0.6553846, "Meta"} -> 
    {{24985, 24560, 20502}, {"", ""}}, {168.0284, 0.66358334, "Meta"} -> 
    {{4262147, 2906160, 3516990}, {"Uric acid [ C5 H4 N4 O3, db=99.35, \
overall=49.68, KEGG ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, 
   {352.0513, 0.6635001, "Meta"} -> {{115213, 117479, 131793}, {"", ""}}, 
   {191.0249, 0.6656572, "Meta"} -> {{1, 286744, 435755}, {"", ""}}, 
   {176.0948, 0.66323525, "Meta"} -> {{77472, 65104, 70803}, 
     {"Serotonin [ C10 H12 N2 O, db=81.86, overall=40.93, KEGG ID=C00780, CAS \
ID=50-67-9 ]", "50-67-9"}}, {343.1261, 0.6673332, "Meta"} -> 
    {{19506, 36216, 27174}, {"b-D-Glucopyranosiduronic acid [ C15 H21 N O8, \
db=84.47, overall=42.23, KEGG ID=, CAS ID=33150-82-2 ]", "33150-82-2"}}, 
   {159.0679, 0.6692903, "Meta"} -> {{83133, 65533, 1}, 
     {"Indoleacetaldehyde [ C10 H9 N O, db=58.61, overall=29.30, HMP \
ID=HMDB01190, KEGG ID= ]", ""}}, {542.0351, 0.6685769, "Meta"} -> 
    {{15946, 23638, 27472}, {"cefonicid [ C18 H18 N6 O8 S3, db=52.28, \
overall=26.14, KEGG ID=, CAS ID= ]", ""}}, {267.1331, 0.6696945, "Meta"} -> 
    {{114650, 108055, 109605}, {"", ""}}, {346.076, 0.6595, "Meta"} -> 
    {{22371, 30510, 28919}, {"", ""}}, {366.0667, 0.6683939, "Meta"} -> 
    {{1, 19311, 37467}, {"", ""}}, {348.0913, 0.6686563, "Meta"} -> 
    {{71220, 56651, 51721}, {"", ""}}, {478.0537, 0.6733429, "Meta"} -> 
    {{22434, 25640, 28651}, {"", ""}}, {129.0423, 0.67652774, "Meta"} -> 
    {{378345, 401570, 457033}, {"Pyroglutamic acid [ C5 H7 N O3, db=60.99, \
overall=30.50, KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {297.0706, 0.67399997, "Meta"} -> {{1, 1, 25269}, {"", ""}}, 
   {414.0701, 0.68071425, "Meta"} -> {{15337, 1, 15796}, {"", ""}}, 
   {104.0473, 0.7109601, "Meta"} -> {{33271, 1317019, 1383560}, 
     {"a-hydroxybutyrate [ C4 H8 O3, db=87.83, overall=43.92, KEGG ID=, CAS \
ID= ]", ""}}, {293.1474, 0.70211107, "Meta"} -> {{604167, 1093745, 904805}, 
     {"", ""}}, {124.0136, 0.698871, "Meta"} -> {{86635, 1, 46678}, 
     {"", ""}}, {244.0693, 0.69808567, "Meta"} -> {{143658, 123219, 57169}, 
     {"Uridine [ C9 H12 N2 O6, db=80.06, overall=40.03, KEGG ID=C00299, CAS \
ID=58-96-8 ]", "58-96-8"}}, {228.1472, 0.70621204, "Meta"} -> 
    {{321324, 249580, 254031}, 
     {"Leu Pro [ C11 H20 N2 O3, db=86.33, overall=43.17 ]", ""}}, 
   {246.1213, 0.72223526, "Meta"} -> {{76937, 69042, 54372}, 
     {"Ile Asp [ C10 H18 N2 O5, db=79.46, overall=39.73 ]", ""}}, 
   {126.0292, 0.7198077, "Meta"} -> {{1467950, 1, 1}, {"", ""}}, 
   {347.9839, 0.72131026, "Meta"} -> {{1, 1, 49308}, {"", ""}}, 
   {252.1109, 0.7333571, "Meta"} -> {{218899, 197391, 232854}, 
     {"Tyr Ala [ C12 H16 N2 O4, db=96.68, overall=48.34 ]", ""}}, 
   {338.0838, 0.75042427, "Meta"} -> {{182874, 147334, 1}, {"", ""}}, 
   {148.0112, 0.75524235, "Meta"} -> {{169031, 134389, 140217}, {"", ""}}, 
   {136.0384, 0.7559166, "Meta"} -> {{3018919, 2238515, 2388929}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=95.18, overall=47.59, KEGG ID=C00262, \
CAS ID=68-94-0 ]", "68-94-0"}}, {277.0016, 0.76956004, "Meta"} -> 
    {{104941, 98148, 1}, {"", ""}}, {161.0507, 0.7749999, "Meta"} -> 
    {{2.62*^7, 9700348, 8631565}, {"", ""}}, {301.1176, 0.832861, "Meta"} -> 
    {{98719, 70685, 97822}, {"", ""}}, {263.0468, 0.8569698, "Meta"} -> 
    {{47659, 30892, 41225}, {"Normetanephrine sulfate [ C9 H13 N O6 S, \
db=62.13, overall=31.07, KEGG ID=, CAS ID=1215-29-8 ]", "1215-29-8"}}, 
   {427.2543, 0.88016677, "Meta"} -> {{156796, 107802, 106009}, {"", ""}}, 
   {533.1839, 0.8766785, "Meta"} -> {{59086, 30604, 33761}, {"", ""}}, 
   {208.0844, 0.8729697, "Meta"} -> {{1187575, 996781, 989136}, 
     {"Kynurenine [ C10 H12 N2 O3, db=98.79, overall=49.40, KEGG ID=C00328, \
CAS ID=343-65-7 ]", "343-65-7"}}, {310.1159, 0.87493944, "Meta"} -> 
    {{41507, 35800, 46748}, 
     {"Tyr Glu [ C14 H18 N2 O6, db=80.16, overall=40.08 ]", ""}}, 
   {130.0417, 0.889875, "Meta"} -> {{420272, 344845, 370700}, {"", ""}}, 
   {119.0736, 0.8910293, "Meta"} -> {{8861303, 1, 7911283}, {"", ""}}, 
   {165.0784, 0.88927776, "Meta"} -> {{4.87*^7, 4.34*^7, 4.49*^7}, 
     {"2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, db=96.07, \
overall=48.03, KEGG ID=, CAS ID=18259-42-2 ]", "18259-42-2"}}, 
   {102.047, 0.8869601, "Meta"} -> {{58694, 35823, 67872}, {"", ""}}, 
   {268.0808, 0.88524127, "Meta"} -> {{20001, 34567, 47098}, 
     {"Inosine [ C10 H12 N4 O5, db=85.71, overall=42.86, KEGG ID=C00294, CAS \
ID=58-63-9 ]", "58-63-9"}}, {518.1942, 0.9226364, "Meta"} -> 
    {{30480, 29460, 28851}, {"Gossypol [ C30 H30 O8, db=74.85, overall=37.42, \
Lipid ID=LMPR01030019, KEGG ID=C07667 ]", ""}}, 
   {359.1316, 0.92291445, "Meta"} -> {{53329, 44229, 41460}, 
     {"Asp Glu Pro [ C14 H21 N3 O8, db=49.24, overall=24.62 ]", ""}}, 
   {358.1738, 0.921639, "Meta"} -> {{65374, 64675, 63751}, {"", ""}}, 
   {315.1679, 0.92541665, "Meta"} -> {{4318863, 3995110, 3972212}, {"", ""}}, 
   {246.1213, 0.9403793, "Meta"} -> {{1, 1, 64246}, 
     {"Ile Asp [ C10 H18 N2 O5, db=75.39, overall=37.69 ]", ""}}, 
   {348.1567, 0.99688005, "Meta"} -> {{1, 181658, 185192}, 
     {"Ala Arg Cys [ C12 H24 N6 O4 S, db=90.69, overall=45.35 ]", ""}}, 
   {150.0887, 1.0149167, "Meta"} -> {{8290443, 3.22*^7, 8772934}, {"", ""}}, 
   {380.1186, 1.0151613, "Meta"} -> {{220671, 166298, 198069}, 
     {"Cys Gln Met [ C13 H24 N4 O5 S2, db=70.63, overall=35.32 ]", ""}}, 
   {88.0527, 1.0138214, "Meta"} -> {{901591, 994883, 1}, 
     {"Acetoin [ C4 H8 O2, db=98.92, overall=49.46, KEGG ID=C00810, CAS \
ID=513-86-0 ]", "513-86-0"}}, {132.0785, 1.0133704, "Meta"} -> 
    {{334047, 369386, 340282}, {"2-Hydroxy-4-methylvaleric acid [ C6 H12 O3, \
db=96.66, overall=48.33, KEGG ID=, CAS ID=13748-90-8 ]", "13748-90-8"}}, 
   {248.0572, 1.018941, "Meta"} -> {{892678, 1051889, 973359}, 
     {"Pyridoxamine Phosphate [ C8 H13 N2 O5 P, db=92.97, overall=46.48, KEGG \
ID=C00647, CAS ID=529-96-4 ]", "529-96-4"}}, {264.0292, 1.0199355, "Meta"} -> 
    {{288080, 242092, 245849}, {"(3-Methoxy-4-hydroxyphenyl)ethylene glycol \
sulfate [ C9 H12 O7 S, db=58.12, overall=29.06, KEGG ID=, CAS ID=3415-67-6 ]"\
, "3415-67-6"}}, {239.9853, 1.04124, "Meta"} -> {{61384, 52934, 38134}, 
     {"", ""}}, {210.1212, 1.0249231, "Meta"} -> {{331463, 340335, 1}, 
     {"", ""}}, {338.1254, 1.0379394, "Meta"} -> {{441152, 575154, 581880}, 
     {"", ""}}, {353.0898, 1.0451715, "Meta"} -> {{1, 184143, 246834}, 
     {"Acenocoumarol [ C19 H15 N O6, db=85.70, overall=42.85, KEGG ID=, CAS \
ID=152-72-7 ]", "152-72-7"}}, {327.1318, 1.0948066, "Meta"} -> 
    {{1, 264786, 186527}, {"", ""}}, {231.1472, 1.1548711, "Meta"} -> 
    {{190901, 154293, 161465}, {"Isobutyryl carnitine [ C11 H21 N O4, \
db=82.39, overall=41.19, KEGG ID=, CAS ID=25518-49-4 ]", "25518-49-4"}}, 
   {354.1791, 1.2549354, "Meta"} -> {{573721, 502532, 497816}, {"", ""}}, 
   {291.0178, 1.2728126, "Meta"} -> {{44861, 44529, 42851}, {"", ""}}, 
   {276.0544, 1.2674193, "Meta"} -> {{47087, 54905, 58221}, {"", ""}}, 
   {216.0308, 1.2762144, "Meta"} -> {{1, 83387, 44468}, {"", ""}}, 
   {117.0578, 1.2811853, "Meta"} -> {{293712, 258821, 1}, 
     {"Indole [ C8 H7 N, db=70.72, overall=35.36, KEGG ID=C00463, CAS \
ID=120-72-9 ]", "120-72-9"}}, {204.0894, 1.2753054, "Meta"} -> 
    {{7.95*^7, 6.28*^7, 6.5*^7}, {"Tryptophan [ C11 H12 N2 O2, db=95.92, \
overall=47.96, KEGG ID=C00078, CAS ID=73-22-3 ]", "73-22-3"}}, 
   {187.0628, 1.2740554, "Meta"} -> {{1.89*^7, 1.53*^7, 1.6*^7}, 
     {"Indoleacrylic acid [ C11 H9 N O2, db=97.72, overall=48.86, HMP \
ID=HMDB00734, KEGG ID=, CAS ID=1204-06-4 ]", "1204-06-4"}}, 
   {650.2158, 1.2843436, "Meta"} -> {{1, 46421, 84954}, {"", ""}}, 
   {302.0588, 1.2867241, "Meta"} -> {{147448, 79894, 89918}, {"", ""}}, 
   {276.0543, 1.4092578, "Meta"} -> {{1, 52135, 51329}, {"", ""}}, 
   {291.0175, 1.4124061, "Meta"} -> {{60693, 52922, 43362}, {"", ""}}, 
   {230.1631, 1.4211999, "Meta"} -> {{1, 61190, 68992}, 
     {"Leu Val [ C11 H22 N2 O3, db=83.67, overall=41.83 ]", ""}}, 
   {280.1058, 1.5567034, "Meta"} -> {{127096, 117890, 132612}, 
     {"Phe Asp [ C13 H16 N2 O5, db=70.05, overall=35.02 ]", ""}}, 
   {366.1426, 1.5676208, "Meta"} -> {{149899, 339157, 240238}, {"", ""}}, 
   {157.11, 1.5776898, "Meta"} -> {{1, 69504, 72942}, 
     {"Tranexamic acid [ C8 H15 N O2, db=74.57, overall=37.29, KEGG \
ID=C12535, CAS ID=1197-18-8 ]", "1197-18-8"}}, 
   {219.1104, 1.6220001, "Meta"} -> {{60898, 33681, 58742}, 
     {"Pantothenic Acid [ C9 H17 N O5, db=55.18, overall=27.59, KEGG ID=, CAS \
ID=137-08-6 ]", "137-08-6"}}, {260.1369, 1.7801199, "Meta"} -> 
    {{198368, 168527, 1}, 
     {"Glu Leu [ C11 H20 N2 O5, db=77.86, overall=38.93 ]", ""}}, 
   {208.0161, 1.9748787, "Meta"} -> {{643318, 1, 86681}, {"", ""}}, 
   {260.1368, 1.9889677, "Meta"} -> {{198256, 1, 162340}, 
     {"Glu Leu [ C11 H20 N2 O5, db=90.71, overall=45.35 ]", ""}}, 
   {131.0368, 2.0663033, "Meta"} -> {{348855, 545132, 647467}, {"", ""}}, 
   {613.3187, 2.414278, "Meta"} -> {{255664, 193024, 209450}, {"", ""}}, 
   {294.1216, 2.470125, "Meta"} -> {{57218, 44497, 45796}, 
     {"Aspartame [ C14 H18 N2 O5, db=72.39, overall=36.19, HMP ID=HMDB01894, \
KEGG ID= ]", ""}}, {245.1627, 2.565185, "Meta"} -> 
    {{621207, 521362, 1}, {"2-Methylbutyroylcarnitine [ C12 H23 N O4, \
db=86.34, overall=43.17, HMP ID=HMDB00378, KEGG ID= ]", ""}}, 
   {246.1366, 2.6443236, "Meta"} -> {{424786, 201071, 1}, {"", ""}}, 
   {159.1255, 2.8531144, "Meta"} -> {{196843, 136882, 153721}, 
     {"DL-2-Aminooctanoic acid [ C8 H17 N O2, db=83.22, overall=41.61, HMP \
ID=HMDB00991, KEGG ID= ]", ""}}, {294.2798, 2.8666072, "Meta"} -> 
    {{1, 211403, 1}, {"", ""}}, {129.1512, 2.8755276, "Meta"} -> 
    {{3161516, 1.44*^7, 3717430}, {"", ""}}, {179.0578, 2.9460568, "Meta"} -> 
    {{1626302, 1967411, 1605664}, {"5,8-Dihydroxy-3,4-dihydrocarbostyril [ C9 \
H9 N O3, db=94.87, overall=47.43, KEGG ID=, CAS ID=59430-56-7 ]", 
      "59430-56-7"}}, {457.2172, 3.21976, "Meta"} -> 
    {{77839, 78519, 1}, 
     {"Leu Tyr Tyr [ C24 H31 N3 O6, db=60.12, overall=30.06 ]", ""}}, 
   {113.0839, 3.4427686, "Meta"} -> {{272781, 1, 101825}, {"", ""}}, 
   {457.2171, 3.449129, "Meta"} -> {{125942, 118162, 115628}, 
     {"Leu Tyr Tyr [ C24 H31 N3 O6, db=66.31, overall=33.16 ]", ""}}, 
   {353.0194, 3.4831946, "Meta"} -> {{203854, 147252, 137111}, 
     {"H 152/66 [ C16 H13 Cl2 N O4, db=34.19, overall=17.09, KEGG ID=, CAS \
ID=91854-02-3 ]", "91854-02-3"}}, {180.0646, 3.4828331, "Meta"} -> 
    {{4736395, 3715376, 3862767}, {"Paraxanthine [ C7 H8 N4 O2, db=97.04, \
overall=48.52, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {338.0584, 3.4828844, "Meta"} -> {{109806, 98314, 96046}, {"", ""}}, 
   {184.1207, 3.5528529, "Meta"} -> {{203229, 334825, 369204}, {"", ""}}, 
   {286.0929, 3.6669033, "Meta"} -> {{167654, 231001, 226484}, 
     {"5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin [ C15 H14 \
N2 O4, db=80.32, overall=40.16, KEGG ID=, CAS ID=28129-90-0 ]", 
      "28129-90-0"}}, {262.1315, 3.6955454, "Meta"} -> 
    {{70718, 43844, 63009}, 
     {"Pro Phe [ C14 H18 N2 O3, db=79.05, overall=39.52 ]", ""}}, 
   {484.3516, 3.714577, "Meta"} -> {{29489, 17726, 42874}, 
     {"(22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimethyl-23,24-tetradehydro-\
20-epivitamin D3 / (22S)-1alph [ C31 H48 O4, db=68.14, overall=34.07, Lipid \
ID=LMST03020487, KEGG ID= ]", ""}}, {264.1109, 3.7114289, "Meta"} -> 
    {{2202225, 1709296, 1874756}, {"", ""}}, {300.9474, 3.7771254, "Meta"} -> 
    {{105016, 1, 79400}, {"", ""}}, {285.9843, 3.784971, "Meta"} -> 
    {{1, 179415, 196977}, {"", ""}}, {406.0258, 3.779679, "Meta"} -> 
    {{136951, 1, 119715}, {"", ""}}, {346.0054, 3.7820883, "Meta"} -> 
    {{526315, 417322, 421069}, {"", ""}}, {390.0608, 3.9207745, "Meta"} -> 
    {{102069, 77180, 51493}, {"", ""}}, {194.1056, 3.9298828, "Meta"} -> 
    {{192513, 127193, 141893}, {"3-Hydroxy-N-glycyl-2,6-xylidine \
(3-Hydroxyglycinexylidide) [ C10 H14 N2 O2, db=79.20, overall=39.60, KEGG \
ID=, CAS ID=112606-87-8 ]", "112606-87-8"}}, {123.0431, 3.9404666, "Meta"} -> 
    {{124733, 94802, 101855}, {"Pyrazinamide [ C5 H5 N3 O, db=73.22, \
overall=36.61, KEGG ID=C01956, CAS ID=98-96-4 ]", "98-96-4"}}, 
   {180.0647, 3.9408891, "Meta"} -> {{5952736, 4369891, 4580686}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=98.66, overall=49.33, KEGG ID=, CAS \
ID=611-59-6 ]", "611-59-6"}}, {353.02, 3.9439723, "Meta"} -> 
    {{82041, 65439, 64781}, {"H 152/66 [ C16 H13 Cl2 N O4, db=40.19, \
overall=20.09, KEGG ID=, CAS ID=91854-02-3 ]", "91854-02-3"}}, 
   {338.06, 3.9440384, "Meta"} -> {{43599, 38361, 27804}, 
     {"1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide (AICAR) [ C9 H15 \
N4 O8 P, db=56.82, overall=28.41, KEGG ID=C04677, CAS ID=3031-94-5 ]", 
      "3031-94-5"}}, {282.0003, 4.0873055, "Meta"} -> 
    {{359639, 277358, 267319}, {"", ""}}, {244.1785, 4.1058927, "Meta"} -> 
    {{164460, 108468, 123891}, 
     {"Leu Leu [ C12 H24 N2 O3, db=80.30, overall=40.15 ]", ""}}, 
   {315.2042, 4.138722, "Meta"} -> {{192822, 208228, 182286}, {"", ""}}, 
   {180.0646, 4.184583, "Meta"} -> {{1360276, 839087, 1054864}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=96.10, overall=48.05, KEGG ID=, CAS \
ID=611-59-6 ]", "611-59-6"}}, {196.1205, 4.4604373, "Meta"} -> 
    {{99920, 54804, 62849}, {"", ""}}, {259.1781, 4.5265555, "Meta"} -> 
    {{44473, 42142, 40443}, {"L-Glutamic acid dibutyl ester [ C13 H25 N O4, \
db=69.80, overall=34.90, KEGG ID=, CAS ID=4261-76-1 ]", "4261-76-1"}}, 
   {278.1625, 4.5463552, "Meta"} -> {{60988, 46453, 45182}, 
     {"Phe Leu [ C15 H22 N2 O3, db=77.05, overall=38.53 ]", ""}}, 
   {196.1206, 4.620389, "Meta"} -> {{222023, 159317, 168634}, {"", ""}}, 
   {145.0523, 4.6313715, "Meta"} -> {{184430, 154644, 165522}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=73.77, overall=36.88, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {221.0685, 4.632059, "Meta"} -> 
    {{73925, 58752, 1}, {"5-Carboxymethoxy-3,4-dihydrocarbostyril [ C11 H11 N \
O4, db=64.45, overall=32.22, KEGG ID=, CAS ID=58898-50-3 ]", "58898-50-3"}}, 
   {399.1795, 4.9157567, "Meta"} -> {{1, 33019, 36128}, 
     {"Tyr Ala Phe [ C21 H25 N3 O5, db=71.49, overall=35.75 ]", ""}}, 
   {185.1049, 4.9669666, "Meta"} -> {{93625, 54119, 80847}, 
     {"Ecgonine [ C9 H15 N O3, db=77.31, overall=38.66, KEGG ID=, CAS \
ID=481-37-8 ]", "481-37-8"}}, {649.3074, 5.013072, "Meta"} -> 
    {{34472, 32712, 31537}, {"", ""}}, {278.163, 5.0759177, "Meta"} -> 
    {{565284, 433238, 458365}, 
     {"Phe Leu [ C15 H22 N2 O3, db=99.27, overall=49.64 ]", ""}}, 
   {535.2641, 5.1008615, "Meta"} -> {{123221, 95825, 96495}, {"", ""}}, 
   {904.4772, 5.3270283, "Meta"} -> {{1994734, 1581914, 1691560}, {"", ""}}, 
   {145.0523, 5.4314723, "Meta"} -> {{261535, 216426, 274794}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=84.42, overall=42.21, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {129.0576, 5.434444, "Meta"} -> 
    {{617999, 535896, 629462}, {"", ""}}, {273.0317, 5.4347143, "Meta"} -> 
    {{57586, 38220, 1}, {"", ""}}, {175.0629, 5.4345837, "Meta"} -> 
    {{687935, 422502, 388152}, {"3-Indoleacetic Acid [ C10 H9 N O2, db=84.76, \
overall=42.38, KEGG ID=C00954, CAS ID=87-51-4 ]", "87-51-4"}}, 
   {163.063, 5.4345, "Meta"} -> {{67602, 59679, 67667}, 
     {"p-Acetaminobenzaldehyde [ C9 H9 N O2, db=64.35, overall=32.17, KEGG \
ID=, CAS ID=122-85-0 ]", "122-85-0"}}, {317.1736, 5.4687505, "Meta"} -> 
    {{63148, 46140, 47409}, 
     {"Leu Trp [ C17 H23 N3 O3, db=81.63, overall=40.81 ]", ""}}, 
   {780.393, 5.47776, "Meta"} -> {{1, 1, 1}, {"25-O-Desacetylrifampin [ C41 \
H56 N4 O11, db=84.35, overall=42.18, KEGG ID=, CAS ID=16783-99-6 ]", 
      "16783-99-6"}}, {506.2009, 5.4841557, "Meta"} -> 
    {{102198, 92392, 88594}, {"", ""}}, {351.1581, 5.5261106, "Meta"} -> 
    {{572788, 422926, 426112}, 
     {"Trp Phe [ C20 H21 N3 O3, db=99.58, overall=49.79 ]", ""}}, 
   {462.2364, 5.543243, "Meta"} -> {{78779, 51866, 54395}, {"", ""}}, 
   {119.0735, 5.541345, "Meta"} -> {{389119, 303108, 327250}, {"", ""}}, 
   {312.1467, 5.5432773, "Meta"} -> {{1.7*^7, 1.31*^7, 1.39*^7}, 
     {"Phe Phe [ C18 H20 N2 O3, db=95.14, overall=47.57 ]", ""}}, 
   {112.0524, 5.5669603, "Meta"} -> {{27777, 27601, 35531}, 
     {"3,5-hexadienoic acid [ C6 H8 O2, db=60.24, overall=30.12, Lipid ID=, \
KEGG ID= ]", ""}}, {415.2207, 5.670666, "Meta"} -> 
    {{16660, 22040, 14350}, 
     {"Phe Leu His [ C21 H29 N5 O4, db=66.52, overall=33.26 ]", ""}}, 
   {145.0523, 5.7114286, "Meta"} -> {{1, 1, 1}, {"Isoquinoline N-oxide [ C9 \
H7 N O, db=58.30, overall=29.15, KEGG ID=, CAS ID=1532-72-5 ]", 
      "1532-72-5"}}, {470.2164, 5.740111, "Meta"} -> 
    {{138624, 114452, 115934}, {"", ""}}, {486.1287, 5.7655144, "Meta"} -> 
    {{155153, 103960, 125103}, {"", ""}}, {814.2692, 5.7653933, "Meta"} -> 
    {{191971, 118111, 135922}, {"", ""}}, {352.0723, 5.766555, "Meta"} -> 
    {{361814, 297072, 297174}, {"Griseofulvin [ C17 H17 Cl O6, db=62.45, \
overall=31.22, KEGG ID=C06686, CAS ID=126-07-8 ]", "126-07-8"}}, 
   {561.114, 5.765363, "Meta"} -> {{136811, 76507, 83276}, {"", ""}}, 
   {367.0347, 5.766611, "Meta"} -> {{378940, 268335, 260857}, 
     {"H 167/87 [ C17 H15 Cl2 N O4, db=30.19, overall=15.10, KEGG ID=, CAS \
ID=91854-01-2 ]", "91854-01-2"}}, {137.0587, 5.7666464, "Meta"} -> 
    {{381523, 297977, 310267}, {"Isoniazid [ C6 H7 N3 O, db=85.82, \
overall=42.91, KEGG ID=C07054, CAS ID=54-85-3 ]", "54-85-3"}}, 
   {680.2204, 5.7653627, "Meta"} -> {{146036, 110452, 117522}, {"", ""}}, 
   {194.0796, 5.7665, "Meta"} -> {{3.26*^7, 2.44*^7, 2.54*^7}, 
     {"D-Glucoside [ C7 H14 O6, db=97.63, overall=48.82, HMP ID=HMDB03570, \
KEGG ID= ]", ""}}, {292.0482, 5.7668047, "Meta"} -> 
    {{153897, 123641, 124163}, {"", ""}}, {427.0664, 5.7660594, "Meta"} -> 
    {{59817, 51728, 50981}, {"", ""}}, {308.021, 5.7663703, "Meta"} -> 
    {{72701, 48643, 41536}, {"", ""}}, {336.0987, 5.766, "Meta"} -> 
    {{50047, 54981, 50328}, {"", ""}}, {339.0394, 5.7657404, "Meta"} -> 
    {{49013, 32643, 31371}, {"", ""}}, {276.0943, 5.767443, "Meta"} -> 
    {{310259, 264640, 290800}, 
     {"Glu Glu [ C10 H16 N2 O7, db=91.86, overall=45.93 ]", ""}}, 
   {546.167, 5.766311, "Meta"} -> {{59990, 83981, 95639}, {"", ""}}, 
   {82.0146, 5.7676473, "Meta"} -> {{546221, 481199, 548156}, {"", ""}}, 
   {450.2112, 6.0146294, "Meta"} -> {{101299, 82839, 85392}, {"", ""}}, 
   {598.3831, 6.149971, "Meta"} -> {{77179, 70786, 60009}, {"", ""}}, 
   {210.1363, 6.1674, "Meta"} -> {{446233, 350439, 370576}, {"", ""}}, 
   {1076.5251, 6.1918607, "Meta"} -> {{801138, 732937, 729208}, {"", ""}}, 
   {285.1937, 6.2077217, "Meta"} -> {{193207, 168358, 168242}, {"", ""}}, 
   {413.1947, 6.402389, "Meta"} -> {{141966, 108716, 115056}, 
     {"Phe Phe Thr [ C22 H27 N3 O5, db=96.85, overall=48.42 ]", ""}}, 
   {210.1363, 6.4091425, "Meta"} -> {{214618, 156858, 189294}, {"", ""}}, 
   {171.1256, 6.4184237, "Meta"} -> {{716765, 356502, 368457}, 
     {"Gabapentin [ C9 H17 N O2, db=89.41, overall=44.71, KEGG ID=C07018, CAS \
ID=60142-96-3 ]", "60142-96-3"}}, {225.134, 6.4274607, "Meta"} -> 
    {{220899, 1, 214003}, {"", ""}}, {464.2267, 6.4558063, "Meta"} -> 
    {{90183, 75757, 76117}, {"", ""}}, {636.2752, 6.4700866, "Meta"} -> 
    {{64152, 66719, 67645}, 
     {" [ C34 H40 N2 O10, db=0.00, overall=30.97, mfg=61.94 ]", ""}}, 
   {401.8564, 6.4737997, "Meta"} -> {{110427, 109450, 104325}, {"", ""}}, 
   {1205.5684, 6.4744167, "Meta"} -> {{1330421, 1677879, 1532903}, {"", ""}}, 
   {650.291, 6.4855704, "Meta"} -> {{66033, 74767, 1}, {"", ""}}, 
   {1072.4163, 6.52011, "Meta"} -> {{74700, 79240, 72825}, {"", ""}}, 
   {1019.5046, 6.519862, "Meta"} -> {{3655549, 3511663, 3525715}, {"", ""}}, 
   {339.8352, 6.519917, "Meta"} -> {{88623, 88583, 88756}, {"", ""}}, 
   {370.2202, 6.5523853, "Meta"} -> {{1, 34378, 15991}, {"", ""}}, 
   {393.1896, 6.6016774, "Meta"} -> {{118727, 105423, 111467}, 
     {"Phe Leu Asp [ C19 H27 N3 O6, db=93.55, overall=46.78 ]", ""}}, 
   {1262.5898, 6.6459446, "Meta"} -> {{629792, 657386, 628065}, {"", ""}}, 
   {748.3746, 6.6664577, "Meta"} -> {{576238, 471968, 490765}, {"", ""}}, 
   {467.5117, 6.6833715, "Meta"} -> {{23971, 26652, 15973}, {"", ""}}, 
   {449.8743, 6.681861, "Meta"} -> {{110449, 120239, 108550}, {"", ""}}, 
   {1349.622, 6.682221, "Meta"} -> {{916230, 989459, 942188}, {"", ""}}, 
   {462.5233, 6.6829696, "Meta"} -> {{52104, 36671, 54777}, {"", ""}}, 
   {467.8464, 6.68125, "Meta"} -> {{23144, 1, 1}, {"", ""}}, 
   {457.2013, 6.682588, "Meta"} -> {{20047, 22162, 19566}, {"", ""}}, 
   {1076.5258, 6.7304854, "Meta"} -> {{56067, 55979, 52072}, {"", ""}}, 
   {298.1418, 6.74896, "Meta"} -> {{83498, 64192, 1}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=73.54, overall=36.77, \
KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {1200.5566, 6.7732415, "Meta"} -> {{17495, 15538, 1}, {"", ""}}, 
   {741.297, 6.7771387, "Meta"} -> {{103006, 99127, 112027}, {"", ""}}, 
   {189.0785, 6.956638, "Meta"} -> {{808304, 558771, 512374}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=94.09, overall=47.05, HMP \
ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {429.2361, 6.977999, "Meta"} -> {{59241, 59437, 49123}, 
     {"Pro Trp Lys [ C22 H31 N5 O4, db=90.19, overall=45.09 ]", ""}}, 
   {260.0935, 7.0326056, "Meta"} -> {{35625, 62656, 132922}, 
     {"Furafylline [ C12 H12 N4 O3, db=57.24, overall=28.62, KEGG ID=, CAS \
ID=80288-49-9 ]", "80288-49-9"}}, {179.1517, 7.0339313, "Meta"} -> 
    {{1, 40558, 100247}, {"", ""}}, {162.1254, 7.032972, "Meta"} -> 
    {{721919, 1361879, 3229231}, {"", ""}}, {386.884, 7.089772, "Meta"} -> 
    {{89387, 227319, 43319}, {"", ""}}, {339.9438, 7.090166, "Meta"} -> 
    {{127550, 193773, 71960}, {"", ""}}, {165.9783, 7.0914993, "Meta"} -> 
    {{98228, 525178, 1}, {"", ""}}, {324.978, 7.0900297, "Meta"} -> 
    {{36018, 109870, 22575}, {"", ""}}, {389.8912, 7.089734, "Meta"} -> 
    {{30736, 86114, 1}, {"", ""}}, {554.8763, 7.0902586, "Meta"} -> 
    {{1, 960229, 154856}, {"", ""}}, {590.8546, 7.090121, "Meta"} -> 
    {{142227, 321381, 1}, {"", ""}}, {166.9861, 7.0904727, "Meta"} -> 
    {{4249637, 1.19*^7, 3143597}, {"", ""}}, {280.9265, 7.090501, "Meta"} -> 
    {{1, 189144, 1}, {"", ""}}, {264.9547, 7.0911846, "Meta"} -> 
    {{18234, 66405, 1}, {"", ""}}, {395.8936, 7.0915, "Meta"} -> 
    {{75403, 102617, 50863}, {"", ""}}, {431.8628, 7.0915837, "Meta"} -> 
    {{1, 79120, 1}, {"", ""}}, {624.9684, 7.1091247, "Meta"} -> 
    {{18145, 35816, 1}, {"", ""}}, {534.1705, 7.1183324, "Meta"} -> 
    {{18278, 14756, 11522}, {"", ""}}, {354.0646, 7.1213336, "Meta"} -> 
    {{64768, 47683, 48597}, {"", ""}}, {238.0838, 7.121195, "Meta"} -> 
    {{641759, 520407, 543705}, {"Propanoic acid, \
2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- [ C12 H14 O5, db=99.24, \
overall=49.62, KEGG ID=, CAS ID=53564-64-0 ]", "53564-64-0"}}, 
   {278.0763, 7.119251, "Meta"} -> {{371040, 326694, 264859}, {"", ""}}, 
   {351.0169, 7.127134, "Meta"} -> {{40277, 13225, 28012}, {"", ""}}, 
   {1560.7216, 7.157438, "Meta"} -> {{27847, 23840, 23186}, {"", ""}}, 
   {941.4612, 7.1827216, "Meta"} -> {{229428, 151169, 161056}, {"", ""}}, 
   {299.2095, 7.264514, "Meta"} -> {{64222, 49158, 52211}, {"", ""}}, 
   {270.1572, 7.337296, "Meta"} -> {{28163, 22872, 1}, {"", ""}}, 
   {280.1885, 7.331959, "Meta"} -> {{73906, 23975, 80845}, {"", ""}}, 
   {361.1425, 7.353097, "Meta"} -> {{1, 1, 1}, {"N-Acetylnorfloxacin [ C18 \
H20 F N3 O4, db=74.33, overall=37.17, KEGG ID=, CAS ID=74011-56-6 ]", 
      "74011-56-6"}}, {309.194, 7.3625283, "Meta"} -> 
    {{110058, 97635, 103130}, {"Nadolol [ C17 H27 N O4, db=98.01, \
overall=49.00, KEGG ID=C07249, CAS ID=42200-33-9 ]", "42200-33-9"}}, 
   {920.4221, 7.436666, "Meta"} -> {{299464, 265324, 277481}, {"", ""}}, 
   {287.2094, 7.4803905, "Meta"} -> {{156475, 133815, 134620}, 
     {"O-octanoyl-R-carnitine [ C15 H29 N O4, db=84.96, overall=42.48, Lipid \
ID=, KEGG ID=C02838 ]", ""}}, {206.1518, 7.485084, "Meta"} -> 
    {{1, 104186, 35732}, {"", ""}}, {174.0887, 7.533999, "Meta"} -> 
    {{250708, 122478, 624401}, {"2-Propylglutaric acid [ C8 H14 O4, db=96.02, \
overall=48.01, KEGG ID=, CAS ID=32806-62-5 ]", "32806-62-5"}}, 
   {142.0625, 7.5357056, "Meta"} -> {{1, 84852, 192727}, 
     {"7-hydroxy-5-heptynoic acid [ C7 H10 O3, db=91.50, overall=45.75, Lipid \
ID=, KEGG ID= ]", ""}}, {833.3582, 7.620576, "Meta"} -> 
    {{46258, 28580, 34142}, {"", ""}}, {182.0914, 7.628904, "Meta"} -> 
    {{1, 63488, 79874}, {"Dacarbazine [ C6 H10 N6 O, db=63.87, overall=31.94, \
KEGG ID=C06936, CAS ID=4342-03-4 ]", "3/4/42"}}, 
   {1389.6527, 7.619026, "Meta"} -> {{135105, 121323, 115399}, {"", ""}}, 
   {170.1415, 7.7676864, "Meta"} -> {{88045, 79192, 1}, {"", ""}}, 
   {1193.519, 7.7542224, "Meta"} -> {{228425, 298017, 307680}, {"", ""}}, 
   {318.1216, 7.8365397, "Meta"} -> {{21369, 1, 18251}, 
     {"Fluvoxamine acid [ C14 H17 F3 N2 O3, db=57.11, overall=28.55, KEGG \
ID=, CAS ID=84692-89-7 ]", "84692-89-7"}}, {432.8377, 7.851473, "Meta"} -> 
    {{40831, 37534, 30744}, {"", ""}}, {433.1729, 7.8523235, "Meta"} -> 
    {{32355, 26342, 22932}, {"", ""}}, {1245.5992, 7.851389, "Meta"} -> 
    {{2564760, 2525201, 2378043}, {"", ""}}, {415.2002, 7.8513994, "Meta"} -> 
    {{176141, 196558, 184997}, {"", ""}}, {428.1836, 7.8517575, "Meta"} -> 
    {{1, 51926, 47695}, 
     {"Ser Trp His [ C20 H24 N6 O5, db=49.60, overall=24.80 ]", ""}}, 
   {1298.5118, 7.8517423, "Meta"} -> {{82981, 70169, 71014}, {"", ""}}, 
   {863.401, 7.871555, "Meta"} -> {{1020734, 799130, 966572}, {"", ""}}, 
   {916.3146, 7.8727407, "Meta"} -> {{90719, 72828, 66132}, {"", ""}}, 
   {189.0785, 7.8873053, "Meta"} -> {{106120, 76555, 81192}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=68.09, overall=34.05, HMP \
ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {185.1414, 7.8914566, "Meta"} -> {{172261, 193109, 189168}, 
     {"N-methyl-Gabapentin [ C10 H19 N O2, db=74.42, overall=37.21, KEGG ID=, \
CAS ID=102937-74-6 ]", "102937-74-6"}}, {208.0732, 8.064808, "Meta"} -> 
    {{146416, 112743, 112806}, {"2,5-Dimethoxycinnamic acid [ C11 H12 O4, \
db=79.88, overall=39.94, HMP ID=HMDB02370, KEGG ID= ]", ""}}, 
   {318.1217, 8.112399, "Meta"} -> {{45364, 1, 27577}, 
     {"Fluvoxamine acid [ C14 H17 F3 N2 O3, db=51.04, overall=25.52, KEGG \
ID=, CAS ID=84692-89-7 ]", "84692-89-7"}}, {186.1189, 8.142306, "Meta"} -> 
    {{317657, 354264, 118748}, {"", ""}}, {415.3079, 8.180323, "Meta"} -> 
    {{48269, 35097, 37285}, {"", ""}}, {301.2252, 8.18464, "Meta"} -> 
    {{183233, 129190, 128765}, {"", ""}}, {210.0888, 8.229969, "Meta"} -> 
    {{59114, 48982, 46398}, {"Methoxyhydroxymethylhydrocinnamic acid [ C11 \
H14 O4, db=76.31, overall=38.15, KEGG ID=, CAS ID=53832-93-2 ]", 
      "53832-93-2"}}, {619.2852, 8.249543, "Meta"} -> 
    {{148901, 119055, 127652}, 
     {" [ C34 H41 N3 O8, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {301.2252, 8.364499, "Meta"} -> {{64272, 48386, 52381}, {"", ""}}, 
   {224.1042, 8.49708, "Meta"} -> {{70680, 43571, 49405}, {"", ""}}, 
   {222.0865, 8.595155, "Meta"} -> {{1, 87145, 1}, {"", ""}}, 
   {538.2428, 8.63658, "Meta"} -> {{32854, 22370, 22444}, {"", ""}}, 
   {289.1346, 8.648037, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {332.1369, 8.648942, "Meta"} -> {{75606, 54446, 128646}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=83.61, \
overall=41.80, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {247.1604, 8.659072, "Meta"} -> {{1, 72394, 74101}, {"", ""}}, 
   {1395.5562, 8.677833, "Meta"} -> {{2339460, 2750867, 2733387}, {"", ""}}, 
   {1237.4865, 8.679944, "Meta"} -> {{1196341, 1219488, 1255825}, {"", ""}}, 
   {1290.4019, 8.679688, "Meta"} -> {{108703, 97060, 116283}, {"", ""}}, 
   {1059.5352, 8.717444, "Meta"} -> {{497225, 314366, 287292}, {"", ""}}, 
   {201.1364, 8.713065, "Meta"} -> {{64371, 27310, 26715}, 
     {"Capryloylglycine [ C10 H19 N O3, db=67.21, overall=33.61, HMP \
ID=HMDB00832, KEGG ID= ]", ""}}, {302.1881, 8.721181, "Meta"} -> 
    {{51022, 38967, 39552}, {"2-Methoxyestradiol [ C19 H26 O3, db=78.62, \
overall=39.31, HMP ID=HMDB00405, KEGG ID= ]", ""}}, 
   {496.2306, 8.726456, "Meta"} -> {{61701, 51412, 49940}, {"", ""}}, 
   {594.2002, 8.727458, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {332.1369, 8.780612, "Meta"} -> {{323886, 213323, 298331}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=85.03, \
overall=42.52, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {430.1107, 8.796733, "Meta"} -> {{1, 1, 24848}, {"", ""}}, 
   {300.1108, 8.80197, "Meta"} -> {{78679, 1, 118752}, {"", ""}}, 
   {313.2252, 8.7906, "Meta"} -> {{158151, 135238, 122849}, {"", ""}}, 
   {286.2617, 8.82916, "Meta"} -> {{49100, 44779, 41714}, {"", ""}}, 
   {346.1526, 8.849605, "Meta"} -> {{1, 14804, 29184}, {"", ""}}, 
   {215.1519, 8.867749, "Meta"} -> {{118418, 112013, 61993}, {"", ""}}, 
   {224.1021, 8.969444, "Meta"} -> {{60732, 59933, 52908}, {"", ""}}, 
   {223.1208, 8.969972, "Meta"} -> {{39723, 25586, 30682}, 
     {"Rimiterol [ C12 H17 N O3, db=47.61, overall=23.81, KEGG ID=, CAS \
ID=32953-89-2 ]", "32953-89-2"}}, {196.1092, 8.977416, "Meta"} -> 
    {{33572, 25946, 31098}, {"Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- [ \
C11 H16 O3, db=59.23, overall=29.61, KEGG ID=, CAS ID=64111-04-2 ]", 
      "64111-04-2"}}, {253.165, 9.127285, "Meta"} -> 
    {{224468, 217841, 212210}, {"", ""}}, {199.157, 9.126751, "Meta"} -> 
    {{528994, 517605, 548571}, {"", ""}}, {1089.4962, 9.145666, "Meta"} -> 
    {{619116, 572770, 578526}, {"", ""}}, {346.1526, 9.17123, "Meta"} -> 
    {{1, 1, 13680}, {"", ""}}, {181.1102, 9.210125, "Meta"} -> 
    {{165013, 130836, 129093}, {"2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, \
(E)- Metabolite [ C10 H15 N O2, db=76.98, overall=38.49, KEGG ID=, CAS ID= ]"\
, ""}}, {382.2563, 9.247962, "Meta"} -> {{78933, 83313, 79984}, 
     {"C17 Sphingosine-1-phosphate [ C17 H39 N2 O5 P, db=59.88, \
overall=29.94, Lipid ID=LMSP01040004, KEGG ID= ]", ""}}, 
   {592.3259, 9.304143, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {298.1321, 9.309667, "Meta"} -> {{57512, 1, 30997}, {"", ""}}, 
   {411.1791, 9.316696, "Meta"} -> {{42743, 1, 28144}, 
     {"Tyr Val Met [ C19 H29 N3 O5 S, db=58.11, overall=29.06 ]", ""}}, 
   {332.1369, 9.345439, "Meta"} -> {{1, 1, 27666}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=61.66, \
overall=30.83, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {189.1184, 9.360473, "Meta"} -> {{609485, 311672, 417928}, {"", ""}}, 
   {211.1571, 9.3698, "Meta"} -> {{41959, 49694, 54927}, {"", ""}}, 
   {196.1076, 9.373194, "Meta"} -> {{61000, 45821, 64653}, {"", ""}}, 
   {343.2259, 9.375806, "Meta"} -> {{66476, 33330, 44830}, 
     {"dibucaine [ C20 H29 N3 O2, db=78.46, overall=39.23, KEGG ID=, CAS \
ID=85-79-0 ]", "85-79-0"}}, {594.3415, 9.429972, "Meta"} -> 
    {{139784, 121226, 124823}, {"L-Urobilin [ C33 H46 N4 O6, db=97.19, \
overall=48.59, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {202.1203, 9.477693, "Meta"} -> {{1, 1, 58403}, {"sebacic acid [ C10 H18 \
O4, db=70.07, overall=35.04, KEGG ID=C08277, CAS ID=111-20-6 ]", 
      "111-20-6"}}, {254.1153, 9.500695, "Meta"} -> 
    {{171450, 122607, 127766}, {"methyl \
4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ C13 H18 O5, \
db=77.56, overall=38.78, Lipid ID=, KEGG ID= ]", ""}}, 
   {640.2432, 9.499125, "Meta"} -> {{24964, 18662, 19178}, 
     {"5-Methyltetrahydropteroyltri-L-glutamate [ C25 H36 N8 O12, db=61.28, \
overall=30.64, KEGG ID=C04489, CAS ID= ]", ""}}, 
   {564.2544, 9.498889, "Meta"} -> {{79453, 67051, 64237}, {"", ""}}, 
   {330.2192, 9.5008, "Meta"} -> {{38831, 43126, 47320}, 
     {"Gestodene metabolite 2 [ C21 H30 O3, db=68.18, overall=34.09, KEGG \
ID=, CAS ID= ]", ""}}, {262.12, 9.519543, "Meta"} -> 
    {{66487, 58692, 55030}, {"Artemisin [ C15 H18 O4, db=68.17, \
overall=34.08, Lipid ID=LMPR01030020, KEGG ID=C09344 ]", ""}}, 
   {264.1357, 9.516806, "Meta"} -> {{179326, 160813, 160231}, {"", ""}}, 
   {327.2406, 9.530406, "Meta"} -> {{148768, 123313, 122186}, {"", ""}}, 
   {463.184, 9.53997, "Meta"} -> {{123663, 86651, 95812}, 
     {"Ritodrine glucuronide [ C23 H29 N O9, db=95.20, overall=47.60, KEGG \
ID=, CAS ID=129464-58-0 ]", "129464-58-0"}}, {273.1762, 9.569387, "Meta"} -> 
    {{82488, 65352, 65018}, {"", ""}}, {327.2405, 9.610461, "Meta"} -> 
    {{107971, 92751, 75778}, {"", ""}}, {273.1762, 9.6855, "Meta"} -> 
    {{126413, 100013, 91782}, {"", ""}}, {360.1935, 9.683611, "Meta"} -> 
    {{92725, 79722, 74390}, {"Aldosterone [ C21 H28 O5, db=80.00, \
overall=40.00, KEGG ID=, CAS ID=52-39-1 ]", "52-39-1"}}, 
   {238.1201, 9.702206, "Meta"} -> {{23901, 224928, 27365}, {"", ""}}, 
   {520.202, 9.758688, "Meta"} -> {{25765, 18833, 18458}, {"", ""}}, 
   {422.2412, 9.75828, "Meta"} -> {{236286, 175960, 170393}, {"", ""}}, 
   {362.2091, 9.759223, "Meta"} -> {{598362, 472132, 461563}, 
     {"20alpha-Dihydroprednisolone [ C21 H30 O5, db=80.45, overall=40.22, \
KEGG ID=, CAS ID=15847-24-2 ]", "15847-24-2"}}, 
   {346.214, 9.791315, "Meta"} -> {{43539, 37175, 35253}, 
     {"Corticosterone [ C21 H30 O4, db=61.19, overall=30.59, HMP \
ID=HMDB01547, KEGG ID= ]", ""}}, {638.2274, 9.789353, "Meta"} -> 
    {{28074, 21525, 18437}, {"", ""}}, {346.1525, 9.793889, "Meta"} -> 
    {{72744, 64930, 122689}, {"", ""}}, {562.2387, 9.788788, "Meta"} -> 
    {{1, 55128, 59459}, {"", ""}}, {557.2833, 9.790912, "Meta"} -> 
    {{24938, 22757, 19088}, {"", ""}}, {510.2462, 9.815877, "Meta"} -> 
    {{44873, 37709, 39366}, {"", ""}}, {229.1674, 9.85191, "Meta"} -> 
    {{52001, 41803, 1}, {"", ""}}, {548.2599, 9.858362, "Meta"} -> 
    {{29286, 23730, 21564}, {"", ""}}, {504.2344, 9.858466, "Meta"} -> 
    {{1, 48558, 41073}, {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, \
db=72.48, overall=36.24, KEGG ID=, CAS ID= ]", ""}}, 
   {470.3088, 9.879321, "Meta"} -> {{70729, 57649, 1}, {"", ""}}, 
   {550.2021, 9.877315, "Meta"} -> {{19331, 15473, 15172}, {"", ""}}, 
   {346.1525, 9.904173, "Meta"} -> {{88744, 50153, 114804}, {"", ""}}, 
   {238.0238, 9.941334, "Meta"} -> {{100957, 128596, 55926}, {"", ""}}, 
   {396.272, 9.949917, "Meta"} -> {{81511, 59211, 69265}, {"", ""}}, 
   {352.1786, 9.951111, "Meta"} -> {{202171, 139506, 150816}, {"", ""}}, 
   {244.0709, 9.960057, "Meta"} -> {{55436, 50377, 78204}, 
     {"Uridine [ C9 H12 N2 O6, db=67.18, overall=33.59, KEGG ID=C00299, CAS \
ID=58-96-8 ]", "58-96-8"}}, {238.1185, 9.979892, "Meta"} -> 
    {{1, 44177, 50244}, {"", ""}}, {330.1981, 9.977964, "Meta"} -> 
    {{45896, 64499, 24927}, 
     {"Val Arg Gly [ C13 H26 N6 O4, db=57.73, overall=28.86 ]", ""}}, 
   {284.0936, 9.975928, "Meta"} -> {{20933, 14653, 1}, {"", ""}}, 
   {463.2106, 10.027572, "Meta"} -> {{21602, 14708, 15794}, {"", ""}}, 
   {314.1266, 10.0307455, "Meta"} -> {{60018, 46595, 103688}, {"", ""}}, 
   {314.2933, 10.043069, "Meta"} -> {{50724, 45833, 45175}, {"", ""}}, 
   {285.1574, 10.05632, "Meta"} -> {{34634, 36249, 31037}, 
     {"6,7-Dimethyltetrahydropterin [ C15 H19 N5 O, db=55.04, overall=27.52, \
HMP ID=HMDB02397, KEGG ID= ]", ""}}, {300.1323, 10.061844, "Meta"} -> 
    {{66485, 58263, 57413}, {"8-Hydroxypromazine [ C17 H20 N2 O S, db=45.98, \
overall=22.99, KEGG ID=, CAS ID=130349-17-6 ]", "130349-17-6"}}, 
   {356.0424, 10.055119, "Meta"} -> {{97691, 74950, 69706}, {"", ""}}, 
   {758.2462, 10.054517, "Meta"} -> {{283578, 194733, 199446}, {"", ""}}, 
   {524.1633, 10.055028, "Meta"} -> {{87313, 70600, 77106}, {"", ""}}, 
   {338.0701, 10.055571, "Meta"} -> {{412254, 1, 341467}, 
     {"Asn Cys Cys [ C10 H18 N4 O5 S2, db=69.48, overall=34.74 ]", ""}}, 
   {240.0997, 10.05514, "Meta"} -> {{6658486, 5236268, 5309868}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=99.31, overall=49.66, KEGG ID=, CAS ID=56392-15-5 ]", "56392-15-5"}}, 
   {180.0783, 10.055166, "Meta"} -> {{660545, 547528, 554806}, 
     {"o-Methoxyhydrocinnamic acid [ C10 H12 O3, db=99.04, overall=49.52, \
KEGG ID=, CAS ID= ]", ""}}, {222.0891, 10.055057, "Meta"} -> 
    {{3538458, 2884894, 2893501}, {"2E,4E,8E,10E-Dodecatetraenedioic acid [ \
C12 H14 O4, db=99.63, overall=49.81, Lipid ID=, KEGG ID= ]", ""}}, 
   {773.212, 10.0548, "Meta"} -> {{94548, 64248, 48319}, {"", ""}}, 
   {428.1355, 10.05561, "Meta"} -> {{72868, 60068, 55537}, {"", ""}}, 
   {284.0629, 10.055297, "Meta"} -> {{37622, 24513, 34807}, {"", ""}}, 
   {370.0939, 10.056542, "Meta"} -> {{38552, 33569, 30548}, {"", ""}}, 
   {518.1473, 10.055831, "Meta"} -> {{225002, 57284, 63031}, {"", ""}}, 
   {353.0342, 10.055324, "Meta"} -> {{206987, 152668, 147272}, {"", ""}}, 
   {413.0684, 10.055799, "Meta"} -> {{89619, 76190, 64433}, {"", ""}}, 
   {254.1151, 10.055778, "Meta"} -> {{172846, 144537, 143114}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=92.65, overall=46.32, Lipid ID=, KEGG ID= ]", ""}}, 
   {382.1291, 10.055561, "Meta"} -> {{1, 64111, 1}, 
     {"Asn Phe Cys [ C16 H22 N4 O5 S, db=52.83, overall=26.41 ]", ""}}, 
   {270.1108, 10.057515, "Meta"} -> {{332964, 295132, 318501}, 
     {"Idebenone Metabolite (Benzenebutanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C13 H18 O6, db=87.10, overall=43.55, \
KEGG ID=, CAS ID=95233-52-6 ]", "95233-52-6"}}, 
   {238.0837, 10.05803, "Meta"} -> {{70952, 68964, 87661}, 
     {"Propanoic acid, 2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- [ C12 H14 O5, \
db=79.56, overall=39.78, KEGG ID=, CAS ID=53564-64-0 ]", "53564-64-0"}}, 
   {329.2564, 10.071557, "Meta"} -> {{151269, 107960, 113798}, {"", ""}}, 
   {298.1417, 10.074715, "Meta"} -> {{190301, 146656, 14788}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=61.89, overall=30.94, \
KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {267.1807, 10.080885, "Meta"} -> {{78053, 1, 65920}, 
     {"Metoprolol [ C15 H25 N O3, db=55.81, overall=27.91, KEGG ID=C07202, \
CAS ID=51384-51-1 ]", "51384-51-1"}}, {213.1727, 10.082888, "Meta"} -> 
    {{148773, 150364, 110665}, {"", ""}}, {280.1306, 10.084135, "Meta"} -> 
    {{1, 24632, 30827}, {"Betaxolol(deaminated) [ C15 H20 O5, db=67.92, \
overall=33.96, KEGG ID=, CAS ID=87549-34-6 ]", "87549-34-6"}}, 
   {324.0999, 10.10015, "Meta"} -> {{41901, 37538, 1}, 
     {"7-Hydroxywarfarin [ C19 H16 O5, db=62.79, overall=31.40, KEGG ID=, CAS \
ID=17834-03-6 ]", "17834-03-6"}}, {542.2723, 10.113879, "Meta"} -> 
    {{21147, 15715, 16506}, {"", ""}}, {226.1503, 10.1374, "Meta"} -> 
    {{75759, 71674, 24882}, {"", ""}}, {564.2545, 10.16625, "Meta"} -> 
    {{42874, 34935, 37229}, {"", ""}}, {157.1461, 10.186832, "Meta"} -> 
    {{513145, 310040, 381744}, {"", ""}}, {776.6856, 10.190693, "Meta"} -> 
    {{146688, 116235, 120578}, {"Thyroxine [ C15 H11 I4 N O4, db=98.31, \
overall=49.15, KEGG ID=C08212, CAS ID=51-48-9 ]", "51-48-9"}}, 
   {275.1915, 10.220444, "Meta"} -> {{230895, 173519, 170259}, {"", ""}}, 
   {258.165, 10.220358, "Meta"} -> {{22785, 1, 17250}, {"", ""}}, 
   {250.1179, 10.22413, "Meta"} -> {{32324, 24761, 21344}, {"", ""}}, 
   {210.123, 10.228934, "Meta"} -> {{106251, 78422, 91719}, {"", ""}}, 
   {346.1381, 10.229135, "Meta"} -> {{30486, 1, 18194}, {"", ""}}, 
   {286.1097, 10.229067, "Meta"} -> {{25117, 17818, 18637}, 
     {"His Met [ C11 H18 N4 O3 S, db=62.46, overall=31.23 ]", ""}}, 
   {438.1865, 10.251937, "Meta"} -> {{27814, 19669, 20963}, 
     {"Phe Ser Trp [ C23 H26 N4 O5, db=47.42, overall=23.71 ]", ""}}, 
   {254.1509, 10.254307, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {222.1614, 10.2523, "Meta"} -> {{32395, 26112, 32853}, {"", ""}}, 
   {272.162, 10.262467, "Meta"} -> {{78841, 27389, 73018}, {"", ""}}, 
   {324.0948, 10.281, "Meta"} -> {{31236, 18844, 21229}, {"", ""}}, 
   {166.0989, 10.282687, "Meta"} -> {{48851, 36664, 36104}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=46.36, overall=23.18, Lipid \
ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, {615.2453, 10.311601, "Meta"} -> 
    {{1, 53344, 41750}, {"", ""}}, {582.2476, 10.3178005, "Meta"} -> 
    {{833767, 1, 441348}, {"Biliverdin IX [ C33 H34 N4 O6, db=70.82, \
overall=35.41, HMP ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", 
      " 114-25-0"}}, {612.2579, 10.319498, "Meta"} -> 
    {{37827, 32571, 71516}, {"", ""}}, {598.2435, 10.3203745, "Meta"} -> 
    {{65127, 56346, 48533}, {"", ""}}, {580.2318, 10.321624, "Meta"} -> 
    {{1, 125209, 114375}, {"", ""}}, {302.1078, 10.325857, "Meta"} -> 
    {{43867, 34791, 1}, {"", ""}}, {299.1918, 10.32961, "Meta"} -> 
    {{320313, 248536, 265229}, {"", ""}}, {144.1147, 10.324371, "Meta"} -> 
    {{71774, 58849, 59805}, {"\207-ethyl caproic acid [ C8 H16 O2, db=81.51, \
overall=40.75, KEGG ID=, CAS ID= ]", ""}}, {489.1998, 10.348856, "Meta"} -> 
    {{29558, 19838, 1}, {"Terbinafine metabolite glucuronide [ C25 H31 N O9, \
db=76.80, overall=38.40, KEGG ID=, CAS ID= ]", ""}}, 
   {264.0959, 10.353962, "Meta"} -> {{1, 27566, 1}, {"", ""}}, 
   {319.0784, 10.364562, "Meta"} -> {{91154, 45093, 64232}, {"", ""}}, 
   {453.2262, 10.414259, "Meta"} -> {{23558, 13945, 14749}, {"", ""}}, 
   {252.134, 10.437142, "Meta"} -> {{61058, 82767, 47169}, {"", ""}}, 
   {343.2186, 10.472101, "Meta"} -> {{37834, 32989, 32315}, {"", ""}}, 
   {632.2476, 10.46173, "Meta"} -> {{1, 1, 12743}, {"", ""}}, 
   {314.1266, 10.46791, "Meta"} -> {{43891, 18841, 25817}, {"", ""}}, 
   {245.145, 10.478071, "Meta"} -> {{1, 72420, 1}, {"", ""}}, 
   {690.4105, 10.481418, "Meta"} -> {{30520, 17289, 21475}, {"", ""}}, 
   {492.2092, 10.482031, "Meta"} -> {{49288, 39971, 40465}, {"", ""}}, 
   {416.2284, 10.482223, "Meta"} -> {{197647, 157315, 147191}, 
     {"Ramipril [ C23 H32 N2 O5, db=71.08, overall=35.54, KEGG ID=C07232, CAS \
ID=87333-19-5 ]", "87333-19-5"}}, {356.1961, 10.4823885, "Meta"} -> 
    {{243086, 182359, 176739}, {"", ""}}, {316.2036, 10.483486, "Meta"} -> 
    {{113437, 86316, 102147}, {"Acitretin Ro 23-4293 [ C20 H28 O3, db=83.16, \
overall=41.58, KEGG ID=, CAS ID=121693-28-5 ]", "121693-28-5"}}, 
   {319.218, 10.518692, "Meta"} -> {{1, 30618, 28840}, {"", ""}}, 
   {250.118, 10.512572, "Meta"} -> {{53681, 40840, 33433}, {"", ""}}, 
   {205.1132, 10.609686, "Meta"} -> {{200383, 150172, 118509}, {"", ""}}, 
   {218.0879, 10.616875, "Meta"} -> {{93627, 95063, 59686}, {"", ""}}, 
   {254.1511, 10.619676, "Meta"} -> {{58843, 52457, 47373}, {"", ""}}, 
   {243.1831, 10.626083, "Meta"} -> {{200925, 281496, 182225}, {"", ""}}, 
   {225.1725, 10.6266775, "Meta"} -> {{39085, 55454, 37775}, {"", ""}}, 
   {385.2821, 10.648808, "Meta"} -> {{26134, 21543, 22090}, {"", ""}}, 
   {602.2044, 10.638667, "Meta"} -> {{20512, 14705, 15378}, {"", ""}}, 
   {545.3771, 10.661119, "Meta"} -> {{31692, 42598, 1}, {"", ""}}, 
   {325.2075, 10.677681, "Meta"} -> {{18732, 1, 20415}, {"", ""}}, 
   {173.1233, 10.677229, "Meta"} -> {{393483, 176860, 189634}, {"", ""}}, 
   {171.1619, 10.675749, "Meta"} -> {{106419, 103347, 113156}, {"", ""}}, 
   {301.2074, 10.694365, "Meta"} -> {{72159, 53094, 57701}, {"", ""}}, 
   {286.1105, 10.689359, "Meta"} -> {{29584, 1, 25505}, 
     {"Hydroxymelphalan [ C13 H19 Cl N2 O3, db=66.75, overall=33.38, KEGG \
ID=, CAS ID=61733-01-5 ]", "61733-01-5"}}, {346.1349, 10.691233, "Meta"} -> 
    {{35383, 21369, 28055}, {"", ""}}, {343.2722, 10.704386, "Meta"} -> 
    {{75923, 56093, 58402}, {"Dodecanoylcarnitine [ C19 H37 N O4, db=90.71, \
overall=45.36, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {302.1125, 10.712086, "Meta"} -> {{20654, 27517, 19457}, {"", ""}}, 
   {340.1257, 10.728134, "Meta"} -> {{25515, 24753, 21151}, {"", ""}}, 
   {242.1516, 10.728, "Meta"} -> {{242430, 188349, 196667}, {"", ""}}, 
   {400.1631, 10.728265, "Meta"} -> {{30392, 33245, 28252}, 
     {"N-AcetylCilastatin [ C18 H28 N2 O6 S, db=63.48, overall=31.74, KEGG \
ID=, CAS ID=94388-32-6 ]", "94388-32-6"}}, {331.2723, 10.732485, "Meta"} -> 
    {{52498, 42476, 24730}, {"", ""}}, {252.1335, 10.748029, "Meta"} -> 
    {{98024, 73662, 78494}, {"", ""}}, {212.1408, 10.760103, "Meta"} -> 
    {{53754, 52841, 47377}, {"12-oxo-10Z-dodecenoic acid [ C12 H20 O3, \
db=80.89, overall=40.45, Lipid ID=, KEGG ID= ]", ""}}, 
   {239.1884, 10.751323, "Meta"} -> {{30960, 47959, 43495}, {"", ""}}, 
   {226.0562, 10.78225, "Meta"} -> {{87313, 144143, 63247}, {"", ""}}, 
   {367.2718, 10.79603, "Meta"} -> {{112597, 76257, 93846}, {"", ""}}, 
   {262.1177, 10.825701, "Meta"} -> {{84458, 66447, 67532}, {"", ""}}, 
   {343.2721, 10.835971, "Meta"} -> {{351967, 304151, 301266}, 
     {"Dodecanoylcarnitine [ C19 H37 N O4, db=97.12, overall=48.56, HMP \
ID=HMDB02250, KEGG ID= ]", ""}}, {227.1882, 10.834806, "Meta"} -> 
    {{500484, 553025, 409742}, {"", ""}}, {281.1964, 10.834471, "Meta"} -> 
    {{230983, 271229, 175620}, {"", ""}}, {589.4036, 10.839125, "Meta"} -> 
    {{51186, 39240, 42281}, {"", ""}}, {316.1647, 10.838167, "Meta"} -> 
    {{50873, 20874, 27323}, {"Gibberellin A9 [ C19 H24 O4, db=60.62, \
overall=30.31, Lipid ID=LMPR01040080, KEGG ID=C11863 ]", ""}}, 
   {594.3588, 10.837862, "Meta"} -> {{68928, 50024, 56995}, {"", ""}}, 
   {346.1531, 10.850415, "Meta"} -> {{1, 21036, 21567}, {"", ""}}, 
   {360.1682, 10.850501, "Meta"} -> {{45265, 48137, 54225}, {"", ""}}, 
   {328.142, 10.851166, "Meta"} -> {{153830, 111674, 169266}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=71.54, overall=35.77 ]", ""}}, 
   {298.1327, 10.851243, "Meta"} -> {{47088, 21192, 22279}, {"", ""}}, 
   {355.272, 10.84606, "Meta"} -> {{361371, 309239, 287315}, {"", ""}}, 
   {383.288, 10.873963, "Meta"} -> {{43762, 32829, 33250}, {"", ""}}, 
   {388.2436, 10.871462, "Meta"} -> {{61608, 47281, 49593}, 
     {"Thr Ile Arg [ C16 H32 N6 O5, db=61.43, overall=30.71 ]", ""}}, 
   {284.1808, 10.88514, "Meta"} -> {{59010, 47281, 49510}, {"", ""}}, 
   {301.2077, 10.885583, "Meta"} -> {{1607423, 1246930, 1252348}, {"", ""}}, 
   {276.1936, 10.92211, "Meta"} -> {{159305, 147666, 158293}, {"", ""}}, 
   {342.3243, 10.933499, "Meta"} -> {{49792, 40991, 1}, {"", ""}}, 
   {242.1516, 10.939269, "Meta"} -> {{130053, 110661, 116032}, {"", ""}}, 
   {400.163, 10.940041, "Meta"} -> {{18740, 1, 23691}, 
     {"N-AcetylCilastatin [ C18 H28 N2 O6 S, db=61.45, overall=30.73, KEGG \
ID=, CAS ID=94388-32-6 ]", "94388-32-6"}}, {287.2463, 10.968501, "Meta"} -> 
    {{93816, 79939, 33286}, {"", ""}}, {498.3417, 10.976148, "Meta"} -> 
    {{51106, 1, 42327}, {"", ""}}, {381.2882, 10.990801, "Meta"} -> 
    {{37106, 23780, 23015}, {"5,6-DiHETrE-EA [ C22 H39 N O4, db=62.62, \
overall=31.31, Lipid ID=LMFA08040029, KEGG ID= ]", ""}}, 
   {431.2308, 10.993176, "Meta"} -> {{24741, 18728, 20046}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=63.44, overall=31.72 ]", ""}}, 
   {414.2039, 10.993806, "Meta"} -> {{136016, 102816, 113967}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=75.35, overall=37.67 ]", ""}}, 
   {616.403, 10.994139, "Meta"} -> {{66131, 49716, 53776}, {"", ""}}, 
   {633.4297, 10.99538, "Meta"} -> {{40142, 31001, 35011}, {"", ""}}, 
   {285.9721, 10.995276, "Meta"} -> {{112400, 22481, 1}, {"", ""}}, 
   {249.1109, 11.002543, "Meta"} -> {{45324, 37314, 63130}, {"", ""}}, 
   {440.2017, 10.997424, "Meta"} -> {{44347, 1, 32231}, 
     {"Phe Gln Phe [ C23 H28 N4 O5, db=38.67, overall=19.34 ]", ""}}, 
   {276.1334, 11.004139, "Meta"} -> {{64795, 46153, 46649}, 
     {"Saccharopine [ C11 H20 N2 O6, db=56.45, overall=28.23, KEGG ID=, CAS \
ID=997-68-2 ]", "997-68-2"}}, {465.3087, 11.014788, "Meta"} -> 
    {{41931, 32726, 33265}, {"Cholylglycine [ C26 H43 N O6, db=75.71, \
overall=37.85, KEGG ID=, CAS ID=475-31-0 ]", "475-31-0"}}, 
   {236.1403, 11.007713, "Meta"} -> {{104154, 75833, 84464}, {"", ""}}, 
   {345.2335, 11.036324, "Meta"} -> {{177094, 149583, 145593}, {"", ""}}, 
   {410.2874, 11.06508, "Meta"} -> {{1, 1, 44306}, {"", ""}}, 
   {402.2185, 11.074946, "Meta"} -> {{22834, 22973, 25376}, 
     {"Trandolaprilat [ C22 H30 N2 O5, db=47.66, overall=23.83, KEGG ID=, CAS \
ID=87679-71-8 ]", "87679-71-8"}}, {276.0972, 11.078914, "Meta"} -> 
    {{173543, 143203, 132291}, 
     {"Glu Glu [ C10 H16 N2 O7, db=71.47, overall=35.73 ]", ""}}, 
   {331.2721, 11.109583, "Meta"} -> {{88608, 85839, 83897}, {"", ""}}, 
   {402.1563, 11.114313, "Meta"} -> {{17986, 39037, 81742}, {"", ""}}, 
   {321.215, 11.114806, "Meta"} -> {{232449, 475672, 1026674}, {"", ""}}, 
   {304.1884, 11.114723, "Meta"} -> {{655265, 1366858, 2861865}, {"", ""}}, 
   {224.0838, 11.132531, "Meta"} -> {{90895, 27609, 39210}, {"", ""}}, 
   {278.0912, 11.133195, "Meta"} -> {{104185, 39847, 37428}, 
     {"Glu Met [ C10 H18 N2 O5 S, db=50.61, overall=25.31 ]", ""}}, 
   {327.223, 11.149416, "Meta"} -> {{177857, 145893, 139451}, 
     {"Levonorgestrel oxime [ C21 H29 N O2, db=60.97, overall=30.49, KEGG \
ID=, CAS ID=53016-31-2 ]", "53016-31-2"}}, {172.1474, 11.181901, "Meta"} -> 
    {{29173, 31054, 44407}, {"3-methyl-nonanoic acid [ C10 H20 O2, db=48.71, \
overall=24.36, Lipid ID=, KEGG ID= ]", ""}}, {238.1544, 11.197818, "Meta"} -> 
    {{148303, 144425, 114337}, {"", ""}}, {265.0592, 11.2015, "Meta"} -> 
    {{95363, 209422, 107297}, {"", ""}}, {256.1671, 11.202999, "Meta"} -> 
    {{117182, 89714, 98025}, {"", ""}}, {331.272, 11.201206, "Meta"} -> 
    {{33402, 20826, 32262}, {"", ""}}, {202.1566, 11.219847, "Meta"} -> 
    {{86157, 72756, 1}, {"10-hydroxy-undecanoic acid [ C11 H22 O3, db=57.60, \
overall=28.80, Lipid ID=, KEGG ID= ]", ""}}, {357.2877, 11.224555, "Meta"} -> 
    {{592376, 477297, 480372}, {"", ""}}, {287.2463, 11.230424, "Meta"} -> 
    {{21738, 46956, 49808}, {"", ""}}, {286.196, 11.254839, "Meta"} -> 
    {{17561, 1, 19313}, {"Androstenedione [ C19 H26 O2, db=51.24, \
overall=25.62, KEGG ID=C00280, CAS ID=63-05-8 ]", "63-05-8"}}, 
   {306.1806, 11.240032, "Meta"} -> {{56249, 35833, 33809}, 
     {"Tetranor Iloprost [ C18 H26 O4, db=57.37, overall=28.69, KEGG ID=, CAS \
ID=93220-69-0 ]", "93220-69-0"}}, {303.223, 11.255501, "Meta"} -> 
    {{377192, 292952, 275723}, {"", ""}}, {288.1332, 11.251001, "Meta"} -> 
    {{34736, 28561, 34312}, {"4-Methylumbelliferyl heptanoate [ C17 H20 O4, \
db=40.76, overall=20.38, KEGG ID=, CAS ID=18319-92-1 ]", "18319-92-1"}}, 
   {248.1406, 11.251324, "Meta"} -> {{17914, 13616, 15456}, 
     {"2,4-Pentadienoic acid, \
3-methyl-5-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)- [ C15 H20 O3, db=58.71, \
overall=29.36, KEGG ID=, CAS ID=126624-24-6 ]", "126624-24-6"}}, 
   {358.2326, 11.257731, "Meta"} -> {{83695, 1, 70086}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=70.59, overall=35.30 ]", ""}}, 
   {717.4275, 11.272499, "Meta"} -> {{84713, 68574, 84966}, {"", ""}}, 
   {587.1718, 11.289588, "Meta"} -> {{19811, 18158, 15046}, {"", ""}}, 
   {294.1107, 11.290332, "Meta"} -> {{22691, 24247, 23544}, {"", ""}}, 
   {1280.5605, 11.288729, "Meta"} -> {{16083, 1, 15156}, {"", ""}}, 
   {452.1514, 11.289388, "Meta"} -> {{66504, 60999, 57643}, {"", ""}}, 
   {586.2752, 11.289446, "Meta"} -> {{163257, 147723, 181002}, {"", ""}}, 
   {527.1393, 11.289233, "Meta"} -> {{101332, 76344, 82243}, {"", ""}}, 
   {496.1945, 11.289706, "Meta"} -> {{28437, 22666, 26759}, 
     {"Trp Glu Tyr [ C25 H28 N4 O7, db=59.40, overall=29.70 ]", ""}}, 
   {845.4351, 11.289027, "Meta"} -> {{281011, 213248, 276887}, {"", ""}}, 
   {530.1451, 11.290032, "Meta"} -> {{51427, 41128, 42900}, 
     {"Ketoconazole [ C26 H28 Cl2 N4 O4, db=59.08, overall=29.54, KEGG \
ID=C07061, CAS ID=65277-42-1 ]", "65277-42-1"}}, 
   {531.2824, 11.290118, "Meta"} -> {{24811, 25050, 29940}, {"", ""}}, 
   {866.3558, 11.289026, "Meta"} -> {{64314, 56575, 67137}, {"", ""}}, 
   {876.3872, 11.289584, "Meta"} -> {{43073, 30746, 37654}, {"", ""}}, 
   {608.2851, 11.289752, "Meta"} -> {{37495, 23526, 29495}, 
     {" [ C34 H42 N O9, db=0.00, overall=41.18, mfg=82.37 ]", ""}}, 
   {445.2463, 11.290056, "Meta"} -> {{123863, 111235, 122872}, {"", ""}}, 
   {534.248, 11.289888, "Meta"} -> {{945002, 915650, 1046661}, {"", ""}}, 
   {512.1748, 11.289804, "Meta"} -> {{245333, 219164, 237838}, {"", ""}}, 
   {485.2606, 11.290346, "Meta"} -> {{33747, 38094, 1}, {"", ""}}, 
   {414.2037, 11.289584, "Meta"} -> {{1.14*^7, 9652164, 1.07*^7}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=82.04, overall=41.02 ]", ""}}, 
   {280.131, 11.2896385, "Meta"} -> {{86439, 80313, 98932}, 
     {"Betaxolol(deaminated) [ C15 H20 O5, db=93.07, overall=46.54, KEGG ID=, \
CAS ID=87549-34-6 ]", "87549-34-6"}}, {431.2309, 11.289611, "Meta"} -> 
    {{3557584, 3114807, 3544583}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=83.76, overall=41.88 ]", ""}}, 
   {487.292, 11.2910595, "Meta"} -> {{41691, 34677, 30420}, {"", ""}}, 
   {544.1991, 11.289091, "Meta"} -> {{24878, 19532, 25150}, {"", ""}}, 
   {471.2445, 11.291112, "Meta"} -> {{1, 41556, 49340}, {"", ""}}, 
   {459.2618, 11.289667, "Meta"} -> {{408274, 484019, 462941}, 
     {"Arg Val Trp [ C22 H33 N7 O4, db=83.80, overall=41.90 ]", ""}}, 
   {457.2271, 11.291111, "Meta"} -> {{93703, 78619, 85896}, {"", ""}}, 
   {493.246, 11.289943, "Meta"} -> {{30970, 24971, 28726}, 
     {"Epothilone A [ C26 H39 N O6 S, db=62.97, overall=31.48, Lipid \
ID=LMPK01000045, KEGG ID=C12153 ]", ""}}, {560.2447, 11.289834, "Meta"} -> 
    {{30990, 30720, 34956}, {"Chloramphenicol palmitate [ C27 H42 Cl2 N2 O6, \
db=50.93, overall=25.46, KEGG ID=C11726, CAS ID=530-43-8 ]", "530-43-8"}}, 
   {473.2773, 11.28986, "Meta"} -> {{87399, 92398, 121322}, 
     {"Leu Trp Arg [ C23 H35 N7 O4, db=65.72, overall=32.86 ]", ""}}, 
   {480.1932, 11.290501, "Meta"} -> {{46607, 36583, 36311}, {"", ""}}, 
   {440.2009, 11.290919, "Meta"} -> {{167187, 149886, 122297}, 
     {"punaglandin 8 [ C23 H33 Cl O6, db=31.94, overall=15.97, Lipid \
ID=LMFA03120045, KEGG ID= ]", ""}}, {749.4477, 11.296001, "Meta"} -> 
    {{18241, 14890, 16107}, {"", ""}}, {455.3245, 11.3231, "Meta"} -> 
    {{51778, 43713, 49208}, {"", ""}}, {369.2876, 11.339501, "Meta"} -> 
    {{281354, 249055, 250395}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, \
db=97.62, overall=48.81, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {226.1929, 11.347332, "Meta"} -> {{78434, 128615, 80984}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=85.58, overall=42.79, \
KEGG ID=, CAS ID= ]", ""}}, {336.1572, 11.353258, "Meta"} -> 
    {{1, 48882, 1}, {"", ""}}, {243.2196, 11.351666, "Meta"} -> 
    {{51204, 35171, 33590}, {"2-amino-tetradecanoic acid [ C14 H29 N O2, \
db=77.47, overall=38.74, Lipid ID=, KEGG ID= ]", ""}}, 
   {256.1672, 11.371285, "Meta"} -> {{201850, 181594, 163836}, {"", ""}}, 
   {285.1361, 11.375806, "Meta"} -> {{389320, 99250, 393797}, 
     {"Morphine [ C17 H19 N O3, db=95.72, overall=47.86, KEGG ID=C01516, CAS \
ID=57-27-2 ]", "57-27-2"}}, {282.1465, 11.395613, "Meta"} -> 
    {{134917, 111674, 114675}, {"Artemisinin [ C15 H22 O5, db=88.47, \
overall=44.23, KEGG ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {208.1094, 11.39564, "Meta"} -> {{210827, 172089, 188167}, 
     {"1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo- [ C12 H16 O3, \
db=81.98, overall=40.99, KEGG ID=, CAS ID=28043-09-6 ]", "28043-09-6"}}, 
   {250.1206, 11.395556, "Meta"} -> {{1552820, 1126378, 1312029}, 
     {"Ubiquinone [ C14 H18 O4, db=99.59, overall=49.80, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {366.1019, 11.395695, "Meta"} -> 
    {{225427, 173745, 170400}, 
     {"Cys Asn Met [ C12 H22 N4 O5 S2, db=72.32, overall=36.16 ]", ""}}, 
   {381.0665, 11.395805, "Meta"} -> {{81273, 59755, 51367}, {"", ""}}, 
   {268.131, 11.395668, "Meta"} -> {{2782785, 2201585, 2192518}, {"", ""}}, 
   {842.34, 11.395239, "Meta"} -> {{36958, 23532, 24132}, {"", ""}}, 
   {589.1759, 11.39528, "Meta"} -> {{18519, 12623, 11443}, {"", ""}}, 
   {384.0751, 11.395806, "Meta"} -> {{58016, 44516, 36663}, {"", ""}}, 
   {649.2068, 11.395183, "Meta"} -> {{32596, 23151, 20953}, {"", ""}}, 
   {504.2696, 11.396668, "Meta"} -> {{51282, 30689, 31327}, {"", ""}}, 
   {312.0943, 11.396322, "Meta"} -> {{25855, 23275, 25901}, {"", ""}}, 
   {575.2477, 11.396999, "Meta"} -> {{31522, 18869, 21181}, {"", ""}}, 
   {328.1616, 11.3960285, "Meta"} -> {{1, 87991, 70524}, 
     {"Methotrimeprazine [ C19 H24 N2 O S, db=76.92, overall=38.46, KEGG \
ID=C07192, CAS ID=60-99-1 ]", "60-99-1"}}, {441.1043, 11.396527, "Meta"} -> 
    {{59920, 50218, 41759}, {"", ""}}, {398.1249, 11.39558, "Meta"} -> 
    {{1, 23188, 17399}, 
     {"Cys Tyr Asn [ C16 H22 N4 O6 S, db=64.30, overall=32.15 ]", ""}}, 
   {410.1626, 11.397676, "Meta"} -> {{42483, 1, 36706}, 
     {"Phe Asn Met [ C18 H26 N4 O5 S, db=72.68, overall=36.34 ]", ""}}, 
   {426.1383, 11.396766, "Meta"} -> {{159113, 131851, 163922}, 
     {"Mometasone [ C22 H28 Cl2 O4, db=54.85, overall=27.42, KEGG ID=C07816, \
CAS ID=105102-22-5 ]", "105102-22-5"}}, {136.1248, 11.399722, "Meta"} -> 
    {{47737, 40413, 44245}, {"(+)-Limonene [ C10 H16, db=85.33, \
overall=42.67, Lipid ID=LMPR01020041, KEGG ID=C06099 ]", ""}}, 
   {266.115, 11.397911, "Meta"} -> {{26160, 1, 29666}, {"", ""}}, 
   {214.1567, 11.399723, "Meta"} -> {{749501, 548327, 599823}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=86.76, overall=43.38, \
Lipid ID=, KEGG ID= ]", ""}}, {274.189, 11.399056, "Meta"} -> 
    {{97115, 53247, 55122}, {"", ""}}, {312.1249, 11.399559, "Meta"} -> 
    {{21741, 19583, 18560}, {"", ""}}, {154.1354, 11.39986, "Meta"} -> 
    {{63209, 72504, 71994}, {"Linalool [ C10 H18 O, db=84.18, overall=42.09, \
Lipid ID=LMPR01020038, KEGG ID=C03985 ]", ""}}, 
   {647.4454, 11.415207, "Meta"} -> {{57453, 1, 1}, {"", ""}}, 
   {196.1447, 11.415208, "Meta"} -> {{1, 1, 1}, {"4-dodecynoic acid [ C12 H20 \
O2, db=61.34, overall=30.67, Lipid ID=, KEGG ID= ]", ""}}, 
   {397.3034, 11.419818, "Meta"} -> {{69238, 53433, 60785}, {"", ""}}, 
   {518.121, 11.434154, "Meta"} -> {{25505, 1, 17732}, {"", ""}}, 
   {336.157, 11.451531, "Meta"} -> {{32727, 83469, 17715}, {"", ""}}, 
   {246.1829, 11.451807, "Meta"} -> {{336862, 209127, 181588}, {"", ""}}, 
   {241.2038, 11.455589, "Meta"} -> {{39993, 45258, 33656}, {"", ""}}, 
   {478.2178, 11.45214, "Meta"} -> {{54170, 44128, 43651}, 
     {"Formestane-4-O-glucuronide [ C25 H34 O9, db=82.02, overall=41.01, KEGG \
ID=, CAS ID=102848-54-4 ]", "102848-54-4"}}, {210.1249, 11.457354, "Meta"} -> 
    {{81144, 55404, 54771}, {"Jasmonic acid [ C12 H18 O3, db=81.52, \
overall=40.76, Lipid ID=LMFA02020001, KEGG ID= ]", ""}}, 
   {342.2878, 11.461249, "Meta"} -> {{28912, 52169, 30130}, {"", ""}}, 
   {367.1506, 11.475408, "Meta"} -> {{78871, 60621, 59416}, 
     {"Asp His Pro [ C15 H21 N5 O6, db=71.89, overall=35.95 ]", ""}}, 
   {285.1362, 11.475694, "Meta"} -> {{942676, 679867, 691946}, 
     {"Morphine [ C17 H19 N O3, db=98.62, overall=49.31, KEGG ID=C01516, CAS \
ID=57-27-2 ]", "57-27-2"}}, {528.1969, 11.478286, "Meta"} -> 
    {{23685, 21160, 22320}, {"", ""}}, {460.2096, 11.476846, "Meta"} -> 
    {{16801, 14807, 17496}, 
     {"Trp Gln Gln [ C21 H28 N6 O6, db=60.46, overall=30.23 ]", ""}}, 
   {311.2457, 11.484715, "Meta"} -> {{324039, 273823, 289153}, {"", ""}}, 
   {347.2489, 11.499638, "Meta"} -> {{81219, 61485, 58967}, {"", ""}}, 
   {356.2318, 11.490559, "Meta"} -> {{19388, 18552, 16475}, 
     {"Estradiol valerate [ C23 H32 O3, db=40.90, overall=20.45, Lipid \
ID=LMST02010039, KEGG ID=C12859 ]", ""}}, {344.1596, 11.518447, "Meta"} -> 
    {{74163, 78877, 54321}, {"16-Hydroxy-4-carboxyretinoic acid [ C20 H24 O5, \
db=62.38, overall=31.19, KEGG ID=, CAS ID=99665-36-8 ]", "99665-36-8"}}, 
   {414.204, 11.526778, "Meta"} -> {{1, 1, 39732}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=76.96, overall=38.48 ]", ""}}, 
   {413.2931, 11.527801, "Meta"} -> {{51386, 41810, 41141}, {"", ""}}, 
   {449.3137, 11.528334, "Meta"} -> {{124637, 96945, 101348}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=91.01, overall=45.51, HMP \
ID=HMDB00708, KEGG ID= ]", ""}}, {431.3032, 11.527909, "Meta"} -> 
    {{133340, 103563, 104319}, {"", ""}}, {250.1557, 11.546168, "Meta"} -> 
    {{42830, 42360, 1}, {"Gemfibrozil [ C15 H22 O3, db=55.73, overall=27.87, \
KEGG ID=, CAS ID=25812-30-0 ]", "25812-30-0"}}, 
   {632.2483, 11.548585, "Meta"} -> {{247551, 293149, 664547}, {"", ""}}, 
   {441.3298, 11.567675, "Meta"} -> {{47136, 59331, 53675}, {"", ""}}, 
   {424.3029, 11.567376, "Meta"} -> {{117078, 99328, 88585}, 
     {"2alpha-Fluoro-19-nor-22-oxa-1alpha,25-dihydroxyvitamin D3 [ C25 H41 F \
O4, db=58.90, overall=29.45, Lipid ID=LMST03020616, KEGG ID= ]", ""}}, 
   {488.2383, 11.5761385, "Meta"} -> {{41706, 37184, 34933}, {"", ""}}, 
   {329.2389, 11.608471, "Meta"} -> {{899466, 760230, 740967}, {"", ""}}, 
   {280.165, 11.619699, "Meta"} -> {{163722, 125453, 123594}, {"", ""}}, 
   {386.1862, 11.624001, "Meta"} -> {{25714, 29510, 28213}, {"", ""}}, 
   {386.2455, 11.630222, "Meta"} -> {{168831, 138659, 134500}, 
     {"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid [ C24 H34 O4, \
db=85.79, overall=42.90, Lipid ID=, KEGG ID= ]", ""}}, 
   {598.2424, 11.630831, "Meta"} -> {{60032, 35493, 48277}, {"", ""}}, 
   {735.4978, 11.632807, "Meta"} -> {{45144, 34057, 38317}, 
     {"Dipalmitoylphosphatidylserine [ C38 H74 N O10 P, db=54.29, \
overall=27.15, HMP ID=HMDB00614, KEGG ID= ]", ""}}, 
   {370.3555, 11.634998, "Meta"} -> {{46177, 53236, 44288}, {"", ""}}, 
   {468.2595, 11.6322565, "Meta"} -> {{57754, 43758, 43151}, {"", ""}}, 
   {740.4531, 11.631467, "Meta"} -> {{60108, 40619, 43068}, {"", ""}}, 
   {477.1897, 11.660638, "Meta"} -> {{454253, 23430, 121789}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=85.23, overall=42.62, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {582.2477, 11.661, "Meta"} -> 
    {{54003, 37868, 35024}, {"Biliverdin IX [ C33 H34 N4 O6, db=87.31, \
overall=43.66, HMP ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", 
      " 114-25-0"}}, {354.2379, 11.661621, "Meta"} -> 
    {{18324, 29382, 27574}, {"13,14-dihydro-15-keto-PGF2alpha [ C20 H34 O5, \
db=42.26, overall=21.13, Lipid ID=LMFA03010027, KEGG ID= ]", ""}}, 
   {520.2644, 11.689971, "Meta"} -> {{51967, 41145, 37265}, 
     {"Medroxyprogesterone glucuronide [ C28 H40 O9, db=48.42, overall=24.21, \
KEGG ID=, CAS ID= ]", ""}}, {485.356, 11.693, "Meta"} -> 
    {{75094, 55799, 60947}, {"", ""}}, {240.1703, 11.670438, "Meta"} -> 
    {{112117, 74691, 108169}, {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic \
acid [ C14 H24 O3, db=65.39, overall=32.69, Lipid ID=, KEGG ID= ]", ""}}, 
   {439.2696, 11.698639, "Meta"} -> {{372236, 265557, 217100}, 
     {"GPA(17:1(9Z)/0:0) [ C20 H42 N O7 P, db=58.14, overall=29.07, Lipid \
ID=LMGP10050002, KEGG ID= ]", ""}}, {414.2039, 11.722752, "Meta"} -> 
    {{147198, 76319, 72135}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=70.02, overall=35.01 ]", ""}}, 
   {522.2801, 11.738907, "Meta"} -> {{43416, 35326, 1}, {"", ""}}, 
   {262.1541, 11.742794, "Meta"} -> {{35830, 29580, 22408}, {"", ""}}, 
   {272.2133, 11.744, "Meta"} -> {{58765, 51198, 43314}, {"", ""}}, 
   {588.2251, 11.747442, "Meta"} -> {{44945, 39724, 37113}, {"", ""}}, 
   {528.1907, 11.747131, "Meta"} -> {{25257, 17536, 20728}, {"", ""}}, 
   {371.3033, 11.768027, "Meta"} -> {{446887, 372293, 406563}, {"", ""}}, 
   {590.3101, 11.752577, "Meta"} -> {{1, 24731, 1}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=61.46, overall=30.73, HMP \
ID=HMDB04158, KEGG ID= ]", ""}}, {417.1435, 11.795814, "Meta"} -> 
    {{1, 1, 1}, {"Mefenamic acid Metabolite (b-D-Glucopyranuronic acid, \
1-[2-[(2,3-dimethylphenyl)amino]benzoate]) [ C21 H23 N O8, db=50.07, \
overall=25.03, KEGG ID=, CAS ID=102623-18-7 ]", "102623-18-7"}}, 
   {282.1151, 11.797542, "Meta"} -> {{61437, 48423, 39964}, {"", ""}}, 
   {342.145, 11.797485, "Meta"} -> {{43015, 41714, 36395}, {"", ""}}, 
   {184.146, 11.798257, "Meta"} -> {{177442, 137633, 142863}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=82.08, overall=41.04, Lipid ID=, \
KEGG ID= ]", ""}}, {373.2647, 11.811193, "Meta"} -> 
    {{85341, 1, 46364}, {"", ""}}, {299.2823, 11.815419, "Meta"} -> 
    {{167942, 125006, 127398}, {"3-Dehydrosphinganine [ C18 H37 N O2, \
db=94.66, overall=47.33, KEGG ID=C02934, CAS ID=16105-69-4 ]", 
      "16105-69-4"}}, {251.2249, 11.800002, "Meta"} -> 
    {{108982, 94467, 101769}, {"", ""}}, {534.3375, 11.806134, "Meta"} -> 
    {{71694, 54385, 1}, {"", ""}}, {465.3086, 11.805584, "Meta"} -> 
    {{829435, 644000, 636719}, {"Cholylglycine [ C26 H43 N O6, db=97.59, \
overall=48.80, KEGG ID=, CAS ID=475-31-0 ]", "475-31-0"}}, 
   {429.2878, 11.80568, "Meta"} -> {{28413, 20922, 20121}, {"", ""}}, 
   {529.3823, 11.806334, "Meta"} -> {{59068, 43725, 51413}, {"", ""}}, 
   {518.2228, 11.805154, "Meta"} -> {{27480, 17810, 1}, 
     {"26,26,26,27,27,27-hexafluoro-1alpha,25-dihydroxy-16,17,23,23,24,24-hex\
adehydrovitamin D3 / 26,26,26, [ C27 H32 F6 O3, db=61.57, overall=30.78, \
Lipid ID=LMST03020078, KEGG ID= ]", ""}}, {585.3523, 11.805889, "Meta"} -> 
    {{18854, 16023, 20743}, {"", ""}}, {521.2284, 11.805668, "Meta"} -> 
    {{25522, 17852, 18428}, {"", ""}}, {414.204, 11.809854, "Meta"} -> 
    {{59738, 70531, 110746}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=78.79, overall=39.40 ]", ""}}, 
   {431.2309, 11.812069, "Meta"} -> {{53499, 26656, 29810}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=56.36, overall=28.18 ]", ""}}, 
   {218.1664, 11.82626, "Meta"} -> {{23881, 25595, 29999}, 
     {"6,8,10,12-pentadecatetraenal [ C15 H22 O, db=57.54, overall=28.77, \
Lipid ID=, KEGG ID= ]", ""}}, {270.1153, 11.829969, "Meta"} -> 
    {{81244, 72280, 71523}, {"chloroprocaine [ C13 H19 Cl N2 O2, db=55.52, \
overall=27.76, KEGG ID=, CAS ID= ]", ""}}, {330.1401, 11.829573, "Meta"} -> 
    {{83247, 75732, 72117}, {"Desmethyl methotrimeprazine 5-sulfoxide [ C18 \
H22 N2 O2 S, db=85.40, overall=42.70, KEGG ID=, CAS ID=16808-77-8 ]", 
      "16808-77-8"}}, {172.146, 11.8296385, "Meta"} -> 
    {{149957, 177167, 173789}, {"3-methyl-nonanoic acid [ C10 H20 O2, \
db=89.90, overall=44.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {186.1616, 11.829715, "Meta"} -> {{108122, 93309, 89766}, 
     {"Undecylic acid [ C11 H22 O2, db=83.39, overall=41.70, KEGG ID=, CAS \
ID= ]", ""}}, {431.3031, 11.831061, "Meta"} -> {{118117, 89230, 88956}, 
     {"", ""}}, {471.2956, 11.832395, "Meta"} -> {{88464, 69444, 66894}, 
     {"", ""}}, {308.1988, 11.834726, "Meta"} -> {{91840, 36747, 127889}, 
     {"", ""}}, {355.2544, 11.8503895, "Meta"} -> {{347762, 271699, 266647}, 
     {"", ""}}, {346.1188, 11.835636, "Meta"} -> {{28006, 35207, 31749}, 
     {"Nifedipine [ C17 H18 N2 O6, db=50.63, overall=25.31, KEGG ID=C07266, \
CAS ID=21829-25-4 ]", "21829-25-4"}}, {276.1724, 11.846942, "Meta"} -> 
    {{155118, 70216, 26640}, {"cyclandelate [ C17 H24 O3, db=63.51, \
overall=31.75, KEGG ID=, CAS ID=456-59-7 ]", "456-59-7"}}, 
   {369.197, 11.842227, "Meta"} -> {{36160, 26862, 29483}, {"", ""}}, 
   {588.2903, 11.855272, "Meta"} -> {{36659, 27811, 1}, {"", ""}}, 
   {330.1805, 11.858284, "Meta"} -> {{363378, 185685, 1}, 
     {"16-Hydroxy-4-oxoretinoic acid [ C20 H26 O4, db=78.37, overall=39.19, \
KEGG ID=, CAS ID=107257-23-8 ]", "107257-23-8"}}, 
   {252.1358, 11.86086, "Meta"} -> {{61733, 29338, 29709}, {"", ""}}, 
   {290.1884, 11.862444, "Meta"} -> {{229502, 105763, 130913}, 
     {"8-hydroxy-17-octadecene-9,11-diynoic acid [ C18 H26 O3, db=62.31, \
overall=31.16, Lipid ID=, KEGG ID= ]", ""}}, {351.2187, 11.864862, "Meta"} -> 
    {{145475, 179400, 114989}, {"", ""}}, {592.3258, 11.793964, "Meta"} -> 
    {{35791, 1, 26841}, {"", ""}}, {309.2302, 11.861514, "Meta"} -> 
    {{165610, 403508, 194654}, {"", ""}}, {447.2981, 11.879917, "Meta"} -> 
    {{886984, 773619, 750401}, {"", ""}}, {511.3273, 11.884157, "Meta"} -> 
    {{343897, 283047, 232231}, {"", ""}}, {280.1649, 11.8923235, "Meta"} -> 
    {{81589, 68749, 72715}, {"", ""}}, {705.4871, 11.893938, "Meta"} -> 
    {{1, 46350, 46060}, {"", ""}}, {291.2176, 11.896868, "Meta"} -> 
    {{61019, 216799, 224254}, {"Penbutolol [ C18 H29 N O2, db=57.95, \
overall=28.98, KEGG ID=C07416, CAS ID=38363-40-5 ]", "38363-40-5"}}, 
   {688.4606, 11.89371, "Meta"} -> {{1, 1, 70791}, {"", ""}}, 
   {267.2197, 11.913969, "Meta"} -> {{610773, 650386, 600125}, {"", ""}}, 
   {394.2926, 11.915362, "Meta"} -> {{77447, 178920, 181134}, {"", ""}}, 
   {251.2248, 11.917944, "Meta"} -> {{270542, 273823, 247164}, {"", ""}}, 
   {411.3194, 11.915528, "Meta"} -> {{111527, 90631, 95012}, {"", ""}}, 
   {256.219, 11.924389, "Meta"} -> {{108889, 85213, 96314}, {"", ""}}, 
   {610.2709, 11.924807, "Meta"} -> {{34893, 30956, 30766}, {"", ""}}, 
   {534.281, 11.92525, "Meta"} -> {{115582, 88582, 83725}, {"", ""}}, 
   {451.3145, 11.934751, "Meta"} -> {{25542, 25708, 26112}, {"", ""}}, 
   {224.1408, 11.931854, "Meta"} -> {{60763, 43373, 41602}, 
     {"Methyl jasmonate [ C13 H20 O3, db=49.28, overall=24.64, KEGG \
ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {456.2698, 11.934423, "Meta"} -> {{1, 1, 45910}, {"", ""}}, 
   {572.3308, 11.924665, "Meta"} -> {{22153, 20798, 22092}, {"", ""}}, 
   {428.2149, 11.942999, "Meta"} -> {{30761, 34375, 26137}, {"", ""}}, 
   {315.2772, 11.940305, "Meta"} -> {{1655646, 1516505, 1535174}, {"", ""}}, 
   {413.2462, 11.94091, "Meta"} -> {{60609, 57203, 1}, {"", ""}}, 
   {297.2667, 11.941416, "Meta"} -> {{128284, 124718, 124804}, 
     {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ C18 H35 N O2, db=86.94, \
overall=43.47, KEGG ID=, CAS ID= ]", ""}}, {341.2728, 11.941767, "Meta"} -> 
    {{24969, 20426, 1}, {"", ""}}, {314.0917, 11.9444475, "Meta"} -> 
    {{1, 157048, 70073}, {"", ""}}, {261.1217, 11.955101, "Meta"} -> 
    {{1, 15167, 18542}, {"", ""}}, {379.2542, 11.973425, "Meta"} -> 
    {{55750, 42575, 43170}, {"", ""}}, {594.3415, 11.96689, "Meta"} -> 
    {{454521, 334258, 306751}, {"L-Urobilin [ C33 H46 N4 O6, db=74.87, \
overall=37.44, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {255.2196, 11.968827, "Meta"} -> {{65582, 66338, 59931}, {"", ""}}, 
   {414.2043, 11.974148, "Meta"} -> {{32930, 1, 46609}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=62.51, overall=31.26 ]", ""}}, 
   {312.2301, 11.973156, "Meta"} -> {{244701, 185190, 219170}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=65.73, \
overall=32.86, Lipid ID=, KEGG ID= ]", ""}}, {328.2254, 11.979709, "Meta"} -> 
    {{1, 1, 1}, {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 H32 O5, \
db=55.40, overall=27.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {196.1461, 11.97807, "Meta"} -> {{21144, 1, 14420}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=60.16, overall=30.08, Lipid ID=, \
KEGG ID= ]", ""}}, {754.4684, 11.973702, "Meta"} -> 
    {{1, 50749, 56870}, {"", ""}}, {749.5135, 11.97703, "Meta"} -> 
    {{1, 43514, 46170}, {"", ""}}, {324.1915, 11.994925, "Meta"} -> 
    {{41193, 20491, 30552}, {"12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrien\
oic acid [ C18 H28 O5, db=57.41, overall=28.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {309.23, 11.97869, "Meta"} -> {{443695, 124191, 125420}, {"", ""}}, 
   {301.1142, 11.992531, "Meta"} -> {{111093, 102259, 128064}, {"", ""}}, 
   {331.2543, 12.023166, "Meta"} -> {{595651, 458141, 466490}, {"", ""}}, 
   {455.3454, 12.01464, "Meta"} -> {{133289, 114449, 118550}, {"", ""}}, 
   {438.3189, 12.015082, "Meta"} -> {{62578, 45625, 198560}, {"", ""}}, 
   {358.2328, 12.025667, "Meta"} -> {{1949308, 265860, 44382}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=96.96, overall=48.48 ]", ""}}, 
   {311.152, 12.032904, "Meta"} -> {{70737, 60878, 62971}, {"", ""}}, 
   {353.2775, 12.026425, "Meta"} -> {{1618690, 267062, 1}, {"", ""}}, 
   {385.3189, 12.040938, "Meta"} -> {{79537, 61749, 75053}, {"", ""}}, 
   {397.3187, 12.041324, "Meta"} -> {{300599, 271388, 280176}, {"", ""}}, 
   {798.4948, 12.054034, "Meta"} -> {{1, 44752, 46023}, {"", ""}}, 
   {793.5397, 12.054131, "Meta"} -> {{48688, 38556, 41436}, {"", ""}}, 
   {590.3062, 12.072692, "Meta"} -> {{1, 19812, 17141}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=57.10, overall=28.55, HMP \
ID=HMDB04158, KEGG ID= ]", ""}}, {326.0038, 12.075236, "Meta"} -> 
    {{370482, 433471, 86232}, {"", ""}}, {236.1403, 12.083773, "Meta"} -> 
    {{88343, 69947, 69289}, {"", ""}}, {252.1866, 12.082345, "Meta"} -> 
    {{1, 53000, 40462}, {"", ""}}, {586.209, 12.083833, "Meta"} -> 
    {{172387, 186715, 183467}, {"", ""}}, {350.155, 12.082278, "Meta"} -> 
    {{106678, 91815, 90928}, {"", ""}}, {526.1727, 12.085113, "Meta"} -> 
    {{170348, 155443, 155900}, {"", ""}}, {466.1347, 12.082086, "Meta"} -> 
    {{172970, 129644, 120905}, {"", ""}}, {270.1981, 12.084306, "Meta"} -> 
    {{423343, 316283, 295975}, {"", ""}}, {412.1294, 12.085416, "Meta"} -> 
    {{144260, 118892, 117209}, {"", ""}}, {368.1654, 12.082582, "Meta"} -> 
    {{135514, 121404, 111330}, {"Testosterone sulfate [ C19 H28 O5 S, \
db=92.27, overall=46.13, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {498.1664, 12.083362, "Meta"} -> {{57198, 44447, 42510}, {"", ""}}, 
   {616.2339, 12.084806, "Meta"} -> {{104336, 82711, 92307}, {"", ""}}, 
   {243.2196, 12.102666, "Meta"} -> {{82519, 51466, 63666}, 
     {"2-amino-tetradecanoic acid [ C14 H29 N O2, db=84.12, overall=42.06, \
Lipid ID=, KEGG ID= ]", ""}}, {482.3452, 12.104295, "Meta"} -> 
    {{243128, 175317, 52065}, {"", ""}}, {234.1617, 12.111666, "Meta"} -> 
    {{45458, 41756, 40795}, {"", ""}}, {248.1769, 12.122094, "Meta"} -> 
    {{68047, 57592, 1}, {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, \
db=79.54, overall=39.77, Lipid ID=, KEGG ID= ]", ""}}, 
   {291.2195, 12.120156, "Meta"} -> {{1, 1, 76079}, 
     {"Penbutolol [ C18 H29 N O2, db=68.40, overall=34.20, KEGG ID=C07416, \
CAS ID=38363-40-5 ]", "38363-40-5"}}, {837.5658, 12.128968, "Meta"} -> 
    {{39300, 30940, 32465}, {"", ""}}, {342.1837, 12.136654, "Meta"} -> 
    {{22312, 20388, 1}, {"Acitretin Ro 23-4750 [ C21 H26 O4, db=77.85, \
overall=38.93, KEGG ID=, CAS ID=121785-73-7 ]", "121785-73-7"}}, 
   {264.1359, 12.146778, "Meta"} -> {{481901, 395436, 398566}, {"", ""}}, 
   {222.1252, 12.146971, "Meta"} -> {{67909, 50738, 53287}, 
     {"Hydroxyibuprofen [ C13 H18 O3, db=74.22, overall=37.11, KEGG ID=, CAS \
ID=51146-55-5 ]", "51146-55-5"}}, {296.1624, 12.147417, "Meta"} -> 
    {{90889, 73865, 93854}, {"Lactone of PGF-MUM [ C16 H24 O5, db=79.76, \
overall=39.88, KEGG ID=, CAS ID= ]", ""}}, {282.1466, 12.147778, "Meta"} -> 
    {{777759, 628364, 627086}, {"Artemisinin [ C15 H22 O5, db=99.12, \
overall=49.56, KEGG ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {341.2723, 12.151607, "Meta"} -> {{20966, 1, 20102}, {"", ""}}, 
   {380.1164, 12.147638, "Meta"} -> {{29796, 29584, 28416}, 
     {"Cys Gln Met [ C13 H24 N4 O5 S2, db=68.35, overall=34.18 ]", ""}}, 
   {306.1804, 12.177001, "Meta"} -> {{1, 1, 84269}, 
     {"Tetranor Iloprost [ C18 H26 O4, db=63.70, overall=31.85, KEGG ID=, CAS \
ID=93220-69-0 ]", "93220-69-0"}}, {402.1937, 12.148144, "Meta"} -> 
    {{51458, 18153, 43778}, 
     {"Pro Trp Thr [ C20 H26 N4 O5, db=72.34, overall=36.17 ]", ""}}, 
   {297.2667, 12.156, "Meta"} -> {{77488, 56975, 67000}, 
     {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ C18 H35 N O2, db=77.59, \
overall=38.79, KEGG ID=, CAS ID= ]", ""}}, {315.2772, 12.155445, "Meta"} -> 
    {{576258, 1150400, 1151286}, {"", ""}}, {413.2455, 12.157277, "Meta"} -> 
    {{1, 42741, 56720}, {"", ""}}, {313.2615, 12.160829, "Meta"} -> 
    {{99701, 261369, 193548}, {"", ""}}, {311.1518, 12.180069, "Meta"} -> 
    {{38973, 36851, 29508}, {"", ""}}, {299.9847, 12.185141, "Meta"} -> 
    {{2610663, 2822958, 1601756}, {"", ""}}, 
   {318.1804, 12.2324295, "Meta"} -> {{1, 30684, 23352}, 
     {"Ubiquinone (Q2) [ C19 H26 O4, db=42.47, overall=21.23, KEGG ID=, CAS \
ID=606-06-4 ]", "606-06-4"}}, {606.2023, 12.187666, "Meta"} -> 
    {{61966, 60249, 56937}, {"", ""}}, {462.2252, 12.1875, "Meta"} -> 
    {{259830, 233110, 229110}, {"Hydrocortisone succinate [ C25 H34 O8, \
db=96.63, overall=48.31, Lipid ID=LMST02030126, KEGG ID=C12888 ]", ""}}, 
   {525.2572, 12.187778, "Meta"} -> {{126105, 119521, 109786}, {"", ""}}, 
   {568.2631, 12.187808, "Meta"} -> {{33661, 34012, 33497}, {"", ""}}, 
   {621.1704, 12.188378, "Meta"} -> {{18937, 13241, 1}, {"", ""}}, 
   {530.2126, 12.187939, "Meta"} -> {{295959, 254874, 239787}, 
     {"Trp Tyr Tyr [ C29 H30 N4 O6, db=72.13, overall=36.06 ]", ""}}, 
   {377.2329, 12.190221, "Meta"} -> {{338187, 252005, 265117}, 
     {"Val Leu Phe [ C20 H31 N3 O4, db=88.80, overall=44.40 ]", ""}}, 
   {628.2743, 12.1870985, "Meta"} -> {{14552, 13292, 13280}, {"", ""}}, 
   {420.2121, 12.200396, "Meta"} -> {{47431, 35374, 34698}, {"", ""}}, 
   {228.1723, 12.197486, "Meta"} -> {{62921, 33019, 46825}, 
     {"10-keto tridecanoic acid [ C13 H24 O3, db=61.20, overall=30.60, Lipid \
ID=LMFA01060042, KEGG ID= ]", ""}}, {372.191, 12.199401, "Meta"} -> 
    {{41581, 34372, 39321}, {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=56.89, \
overall=28.44, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {357.2698, 12.228862, "Meta"} -> {{671740, 492794, 501471}, {"", ""}}, 
   {199.1932, 12.220861, "Meta"} -> {{755115, 513975, 386402}, 
     {"dodecanamide [ C12 H25 N O, db=98.45, overall=49.22, Lipid ID=, KEGG \
ID= ]", ""}}, {259.2255, 12.222748, "Meta"} -> {{184629, 91930, 102790}, 
     {"", ""}}, {269.235, 12.2237425, "Meta"} -> {{173238, 127265, 77823}, 
     {"", ""}}, {719.5028, 12.228621, "Meta"} -> {{41773, 32514, 34678}, 
     {"", ""}}, {664.2384, 12.227905, "Meta"} -> {{1, 1, 31173}, {"", ""}}, 
   {248.1768, 12.233333, "Meta"} -> {{26541, 24831, 24678}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=72.21, \
overall=36.10, Lipid ID=, KEGG ID= ]", ""}}, {284.1987, 12.237692, "Meta"} -> 
    {{153648, 99875, 1}, {"", ""}}, {262.1929, 12.242998, "Meta"} -> 
    {{840525, 646094, 628953}, {"5,8-heptadecadiynoic acid [ C17 H26 O2, \
db=98.55, overall=49.28, Lipid ID=, KEGG ID= ]", ""}}, 
   {533.3115, 12.239881, "Meta"} -> {{149862, 85588, 85570}, {"", ""}}, 
   {302.1855, 12.243556, "Meta"} -> {{763698, 551177, 558902}, 
     {"2-Methoxyestradiol [ C19 H26 O3, db=76.71, overall=38.36, HMP \
ID=HMDB00405, KEGG ID= ]", ""}}, {436.1856, 12.235857, "Meta"} -> 
    {{1, 14693, 23306}, {"", ""}}, {596.3558, 12.249497, "Meta"} -> 
    {{32252, 26143, 28167}, {"", ""}}, {242.188, 12.252134, "Meta"} -> 
    {{74380, 1, 57019}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
db=63.43, overall=31.71, Lipid ID=, KEGG ID= ]", ""}}, 
   {614.3666, 12.251577, "Meta"} -> {{62081, 38211, 1}, {"", ""}}, 
   {512.1788, 12.245139, "Meta"} -> {{33025, 20740, 21280}, 
     {"10S,11R-epoxy-punaglandin 3 [ C25 H33 Cl O9, db=53.22, overall=26.61, \
Lipid ID=LMFA03120039, KEGG ID= ]", ""}}, {376.1882, 12.266801, "Meta"} -> 
    {{1, 38383, 96744}, 
     {"Arg Val Cys [ C14 H28 N6 O4 S, db=75.82, overall=37.91 ]", ""}}, 
   {580.2321, 12.270332, "Meta"} -> {{302243, 167643, 203692}, {"", ""}}, 
   {630.2687, 12.26936, "Meta"} -> {{191925, 104447, 96878}, {"", ""}}, 
   {612.2583, 12.2699175, "Meta"} -> {{187610, 126854, 113592}, {"", ""}}, 
   {672.2793, 12.270498, "Meta"} -> {{130950, 71763, 85267}, {"", ""}}, 
   {658.2637, 12.2717495, "Meta"} -> {{47412, 26887, 27919}, {"", ""}}, 
   {644.2843, 12.27025, "Meta"} -> {{377704, 257736, 282049}, {"", ""}}, 
   {298.2154, 12.269302, "Meta"} -> {{47045, 41396, 1}, 
     {"8E-Heptadecenedioic acid [ C17 H30 O4, db=61.18, overall=30.59, Lipid \
ID=, KEGG ID= ]", ""}}, {336.1262, 12.278805, "Meta"} -> 
    {{40324, 35438, 31955}, {"", ""}}, {238.1567, 12.281195, "Meta"} -> 
    {{628734, 483438, 473227}, {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 \
H22 O3, db=97.15, overall=48.57, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {423.3348, 12.288555, "Meta"} -> {{1367901, 1166262, 1218188}, {"", ""}}, 
   {311.2457, 12.286498, "Meta"} -> {{598753, 475520, 423136}, {"", ""}}, 
   {374.2429, 12.298686, "Meta"} -> {{67288, 59966, 1}, 
     {"Digitoxigenin [ C23 H34 O4, db=53.68, overall=26.84, KEGG ID=, CAS \
ID=143-62-4 ]", "143-62-4"}}, {477.1899, 12.302515, "Meta"} -> 
    {{49028, 1, 25744}, {"3,5-Pyridinedicarboxylic acid, \
2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino] [ C26 \
H27 N3 O6, db=59.31, overall=29.66, KEGG ID=, CAS ID=59875-58-0 ]", 
      "59875-58-0"}}, {768.4842, 12.295834, "Meta"} -> 
    {{1, 42144, 1}, {"", ""}}, {369.2874, 12.299877, "Meta"} -> 
    {{48266, 23130, 1}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, \
db=64.19, overall=32.09, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {763.5288, 12.296454, "Meta"} -> {{50080, 45845, 39121}, {"", ""}}, 
   {314.1884, 12.299144, "Meta"} -> {{110311, 25252, 56531}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=70.86, overall=35.43, KEGG ID=, \
CAS ID=38030-57-8 ]", "38030-57-8"}}, {271.2523, 12.302779, "Meta"} -> 
    {{117441, 127608, 1}, {"2R-aminohexadecanoic acid [ C16 H33 N O2, \
db=52.07, overall=26.04, Lipid ID=, KEGG ID= ]", ""}}, 
   {625.346, 12.299999, "Meta"} -> {{339491, 179307, 172957}, 
     {"Glycochenodeoxycholic acid 3-glucuronide [ C32 H51 N O11, db=99.35, \
overall=49.68, HMP ID=HMDB02579, KEGG ID= ]", ""}}, 
   {342.1463, 12.310115, "Meta"} -> {{45053, 41739, 47813}, {"", ""}}, 
   {663.2926, 12.299033, "Meta"} -> {{34925, 22813, 25943}, {"", ""}}, 
   {372.2661, 12.3107815, "Meta"} -> {{184571, 129576, 125959}, 
     {"(22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid [ C24 H36 O3, db=66.95, \
overall=33.48, Lipid ID=, KEGG ID= ]", ""}}, {329.2566, 12.319615, "Meta"} -> 
    {{14117, 20645, 1}, {"", ""}}, {265.2404, 12.332487, "Meta"} -> 
    {{60011, 78590, 59425}, {"", ""}}, {305.2328, 12.322701, "Meta"} -> 
    {{1, 31081, 1}, {"", ""}}, {230.1879, 12.337853, "Meta"} -> 
    {{1, 82690, 97055}, {"4-hydroxy-tridecanoic acid [ C13 H26 O3, db=63.86, \
overall=31.93, Lipid ID=, KEGG ID= ]", ""}}, {631.4503, 12.339085, "Meta"} -> 
    {{95520, 89593, 86356}, {"", ""}}, {312.1359, 12.347117, "Meta"} -> 
    {{64551, 54295, 94080}, {"", ""}}, {388.2607, 12.350721, "Meta"} -> 
    {{66779, 51425, 59293}, {"7,12-Dioxo-5beta-cholan-24-oic Acid [ C24 H36 \
O4, db=77.22, overall=38.61, Lipid ID=, KEGG ID= ]", ""}}, 
   {328.2249, 12.339256, "Meta"} -> {{224375, 185283, 163012}, 
     {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 H32 O5, db=76.40, \
overall=38.20, Lipid ID=, KEGG ID= ]", ""}}, {425.3361, 12.35692, "Meta"} -> 
    {{105396, 1, 1}, {"", ""}}, {408.3088, 12.36271, "Meta"} -> 
    {{175333, 119763, 54761}, {"", ""}}, {281.2354, 12.3655615, "Meta"} -> 
    {{197124, 151416, 98679}, {"", ""}}, {360.1656, 12.382274, "Meta"} -> 
    {{55014, 46375, 67314}, 
     {"Leu Asn Asp [ C14 H24 N4 O7, db=77.19, overall=38.60 ]", ""}}, 
   {338.2439, 12.380382, "Meta"} -> {{103237, 101488, 94072}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=74.85, overall=37.42, KEGG ID=, \
CAS ID= ]", ""}}, {436.1472, 12.383839, "Meta"} -> 
    {{50155, 42090, 46240}, {"", ""}}, {376.1198, 12.386286, "Meta"} -> 
    {{55513, 46583, 55458}, 
     {"Asp Asn Glu [ C13 H20 N4 O9, db=55.52, overall=27.76 ]", ""}}, 
   {278.1519, 12.387778, "Meta"} -> {{4118137, 3691406, 4525686}, {"", ""}}, 
   {148.0158, 12.3895, "Meta"} -> {{447964, 455846, 467252}, {"", ""}}, 
   {204.0784, 12.3909445, "Meta"} -> {{256640, 266752, 294174}, {"", ""}}, 
   {396.2873, 12.403235, "Meta"} -> {{179770, 148670, 167009}, 
     {"PGF2alpha isopropyl ester [ C23 H40 O5, db=87.08, overall=43.54, Lipid \
ID=LMFA03010076, KEGG ID= ]", ""}}, {276.17, 12.37928, "Meta"} -> 
    {{12579, 13634, 1}, {"cyclandelate [ C17 H24 O3, db=51.06, overall=25.53, \
KEGG ID=, CAS ID=456-59-7 ]", "456-59-7"}}, {607.326, 12.407581, "Meta"} -> 
    {{52930, 40108, 49421}, {"", ""}}, {675.4764, 12.4054, "Meta"} -> 
    {{80271, 73223, 61908}, {"", ""}}, {487.2618, 12.410424, "Meta"} -> 
    {{120248, 92264, 102130}, {"", ""}}, {562.256, 12.410714, "Meta"} -> 
    {{50992, 30310, 1}, {"Protoporphyrin [ C34 H34 N4 O4, db=79.79, \
overall=39.90, KEGG ID=C01079, CAS ID=553-12-8 ]", "553-12-8"}}, 
   {547.2891, 12.410121, "Meta"} -> {{112988, 108792, 108470}, {"", ""}}, 
   {449.3139, 12.410828, "Meta"} -> {{3872859, 2904125, 2895911}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=99.45, overall=49.73, HMP \
ID=HMDB00708, KEGG ID= ]", ""}}, {505.2336, 12.410571, "Meta"} -> 
    {{57079, 44748, 45043}, {"", ""}}, {431.3035, 12.411553, "Meta"} -> 
    {{1623675, 1374263, 1341945}, {"", ""}}, {413.2934, 12.41158, "Meta"} -> 
    {{587702, 516495, 517254}, {"", ""}}, {491.3008, 12.412041, "Meta"} -> 
    {{141994, 72115, 69138}, {"", ""}}, {1312.7719, 12.4140005, "Meta"} -> 
    {{39473, 27430, 37014}, {"", ""}}, {851.5811, 12.417131, "Meta"} -> 
    {{45547, 46512, 37837}, {"C20-OHSulfatide [ C44 H85 N O12 S, db=89.76, \
overall=44.88, Lipid ID=LMSP06020005, KEGG ID= ]", ""}}, 
   {467.301, 12.424151, "Meta"} -> {{2106685, 1338070, 1}, 
     {"Myristoyl L-a-lysophosphatidylcholine [ C22 H46 N O7 P, db=96.32, \
overall=48.16, KEGG ID=, CAS ID=20559-16-4 ]", "20559-16-4"}}, 
   {469.361, 12.42775, "Meta"} -> {{222985, 234109, 187879}, {"", ""}}, 
   {452.3344, 12.426857, "Meta"} -> {{357732, 277558, 341782}, {"", ""}}, 
   {505.2485, 12.426792, "Meta"} -> {{90163, 61964, 62361}, {"", ""}}, 
   {863.4587, 12.424135, "Meta"} -> {{43498, 32727, 31112}, {"", ""}}, 
   {614.2372, 12.435374, "Meta"} -> {{17036, 1, 1}, {"", ""}}, 
   {324.0821, 12.4366255, "Meta"} -> {{173444, 222369, 1}, {"", ""}}, 
   {274.2141, 12.443, "Meta"} -> {{1844619, 1191435, 1284058}, 
     {"2,15-dihydroxy-pentadecylic acid [ C15 H30 O4, db=98.78, \
overall=49.39, Lipid ID=LMFA01050082, KEGG ID= ]", ""}}, 
   {256.2038, 12.44312, "Meta"} -> {{117983, 97877, 86095}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=62.07, overall=31.03, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {352.171, 12.430658, "Meta"} -> 
    {{53918, 48203, 50191}, {"", ""}}, {370.1815, 12.436501, "Meta"} -> 
    {{71742, 56600, 1}, {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 \
O5 S, db=68.09, overall=34.04, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {500.1792, 12.433194, "Meta"} -> {{46610, 27919, 32529}, 
     {"gamma-Hydroxyphenylbutazone glucuronide [ C25 H28 N2 O9, db=72.50, \
overall=36.25, KEGG ID=, CAS ID= ]", ""}}, {588.225, 12.436315, "Meta"} -> 
    {{66841, 66171, 1}, {"", ""}}, {504.2695, 12.450472, "Meta"} -> 
    {{49123, 32062, 38317}, {"", ""}}, {528.189, 12.4353895, "Meta"} -> 
    {{70667, 50443, 66190}, {"", ""}}, {414.1453, 12.441296, "Meta"} -> 
    {{45882, 32991, 26504}, {"", ""}}, {270.2135, 12.456722, "Meta"} -> 
    {{460826, 143237, 149414}, {"", ""}}, {292.167, 12.460268, "Meta"} -> 
    {{104293, 22038, 1}, {"", ""}}, {719.5026, 12.466721, "Meta"} -> 
    {{62880, 56084, 50350}, {"", ""}}, {399.3347, 12.47114, "Meta"} -> 
    {{2542064, 2205541, 2371912}, {"Palmitoylcarnitine [ C23 H45 N O4, \
db=99.77, overall=49.89, Lipid ID=LMFA07070004, KEGG ID=C02990 ]", ""}}, 
   {182.1666, 12.464886, "Meta"} -> {{51090, 41410, 40112}, 
     {"7E,9Z-dodecadien-1-ol [ C12 H22 O, db=80.52, overall=40.26, Lipid ID=, \
KEGG ID= ]", ""}}, {242.1878, 12.468251, "Meta"} -> 
    {{323959, 240970, 295528}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 \
O3, db=62.18, overall=31.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {895.6074, 12.470839, "Meta"} -> {{46928, 1, 55902}, {"", ""}}, 
   {496.3607, 12.486807, "Meta"} -> {{1, 73978, 261855}, {"", ""}}, 
   {513.3873, 12.487667, "Meta"} -> {{270365, 280576, 233010}, {"", ""}}, 
   {384.1933, 12.488749, "Meta"} -> {{125066, 55501, 87075}, {"", ""}}, 
   {250.1204, 12.488947, "Meta"} -> {{76219, 43056, 51305}, 
     {"Ubiquinone [ C14 H18 O4, db=74.11, overall=37.06, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {409.3186, 12.504228, "Meta"} -> 
    {{75540, 52959, 40426}, {"", ""}}, {374.2808, 12.501667, "Meta"} -> 
    {{173068, 139720, 172852}, {"3beta-Hydroxychol-4-en-24-oic Acid [ C24 H38 \
O3, db=92.13, overall=46.07, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2756, 12.501445, "Meta"} -> {{250039, 204029, 189573}, {"", ""}}, 
   {356.2712, 12.505676, "Meta"} -> {{373055, 311692, 307153}, 
     {"4,8,12,15,19,21-tetracosahexaenoic acid [ C24 H36 O2, db=94.78, \
overall=47.39, Lipid ID=, KEGG ID= ]", ""}}, {546.153, 12.509251, "Meta"} -> 
    {{35429, 25343, 25677}, {"", ""}}, {331.2721, 12.510544, "Meta"} -> 
    {{27415, 41491, 21914}, {"", ""}}, {449.314, 12.51639, "Meta"} -> 
    {{1.03*^7, 7764492, 7555918}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, \
db=99.24, overall=49.62, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {562.2545, 12.516361, "Meta"} -> {{97326, 1, 60334}, 
     {"Protoporphyrin [ C34 H34 N4 O4, db=70.11, overall=35.05, KEGG \
ID=C01079, CAS ID=553-12-8 ]", "553-12-8"}}, {505.2343, 12.514931, "Meta"} -> 
    {{82449, 59624, 59626}, {"", ""}}, {487.2613, 12.517092, "Meta"} -> 
    {{193941, 172894, 203088}, {"", ""}}, {942.5912, 12.517724, "Meta"} -> 
    {{112327, 79166, 1}, {"", ""}}, {391.3102, 12.521373, "Meta"} -> 
    {{179887, 186995, 143268}, {"N,N-(2,2-dihydroxy-ethyl) arachidonoyl amine \
[ C24 H41 N O3, db=41.49, overall=20.74, Lipid ID=LMFA08020028, KEGG ID= ]", 
      ""}}, {768.484, 12.522172, "Meta"} -> {{37142, 29335, 37581}, 
     {"", ""}}, {547.2912, 12.518182, "Meta"} -> {{147449, 153485, 156508}, 
     {"", ""}}, {763.5285, 12.522705, "Meta"} -> {{48819, 47482, 41176}, 
     {"", ""}}, {612.2584, 12.528093, "Meta"} -> {{169582, 162683, 101570}, 
     {"", ""}}, {537.3427, 12.543621, "Meta"} -> {{109342, 82357, 77584}, 
     {"GPEtn(10:0/11:0)[U] [ C26 H52 N O8 P, db=59.82, overall=29.91, Lipid \
ID=LMGP02010053, KEGG ID= ]", ""}}, {425.2543, 12.535178, "Meta"} -> 
    {{57541, 46779, 44937}, {"GPEtn(14:0/0:0) [ C19 H40 N O7 P, db=66.09, \
overall=33.05, Lipid ID=LMGP02050003, KEGG ID= ]", ""}}, 
   {557.4136, 12.545144, "Meta"} -> {{304614, 288990, 261551}, {"", ""}}, 
   {355.2721, 12.554709, "Meta"} -> {{140585, 122312, 1}, {"", ""}}, 
   {225.2089, 12.554222, "Meta"} -> {{845403, 674684, 722007}, {"", ""}}, 
   {650.3645, 12.549894, "Meta"} -> {{22696, 1, 20957}, 
     {"Digoxigenin bisdigitoxoside [ C35 H54 O11, db=73.18, overall=36.59, \
KEGG ID=, CAS ID=5297-05-2 ]", "5/2/97"}}, {580.2348, 12.5748005, "Meta"} -> 
    {{209926, 156373, 136222}, {"", ""}}, {501.3662, 12.573688, "Meta"} -> 
    {{91967, 111731, 92597}, {"", ""}}, {434.2881, 12.585032, "Meta"} -> 
    {{391678, 95362, 1426480}, {"(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thia\
vitamin D3 3-oxide / (5Z)-(3S)-1alpha,25-dihydroxy-3-deo [ C26 H42 O3 S, \
db=73.08, overall=36.54, Lipid ID=LMST03020052, KEGG ID= ]", ""}}, 
   {467.3008, 12.5836935, "Meta"} -> {{2.13*^7, 1.37*^7, 1.38*^7}, 
     {"Myristoyl L-a-lysophosphatidylcholine [ C22 H46 N O7 P, db=97.87, \
overall=48.94, KEGG ID=, CAS ID=20559-16-4 ]", "20559-16-4"}}, 
   {505.2486, 12.583806, "Meta"} -> {{905277, 605101, 596017}, {"", ""}}, 
   {565.2755, 12.582859, "Meta"} -> {{508770, 452626, 452127}, 
     {" [ C32 H39 N O8, overall=43.39, mfg=86.78 ]", ""}}, 
   {451.3146, 12.585577, "Meta"} -> {{237997, 530359, 799709}, {"", ""}}, 
   {279.2563, 12.585971, "Meta"} -> {{960823, 1045717, 869712}, {"", ""}}, 
   {319.2485, 12.586908, "Meta"} -> {{709595, 829498, 814817}, 
     {"N-hydroxy arachidonoyl amine [ C20 H33 N O2, db=80.38, overall=40.19, \
Lipid ID=LMFA08020029, KEGG ID= ]", ""}}, {625.3125, 12.582887, "Meta"} -> 
    {{76008, 72972, 79814}, {"", ""}}, {499.2697, 12.597638, "Meta"} -> 
    {{960397, 799620, 914027}, {"", ""}}, {584.4132, 12.599159, "Meta"} -> 
    {{432900, 300847, 62317}, {"", ""}}, {601.4399, 12.599721, "Meta"} -> 
    {{298160, 266423, 251784}, {"", ""}}, {246.2193, 12.616779, "Meta"} -> 
    {{97647, 120366, 103754}, {"", ""}}, {367.4175, 12.6358, "Meta"} -> 
    {{16924, 1, 17031}, {"", ""}}, {579.2638, 12.629876, "Meta"} -> 
    {{311792, 231511, 234027}, {"", ""}}, {541.3169, 12.629602, "Meta"} -> 
    {{3358840, 2268953, 2213194}, {"", ""}}, {639.2913, 12.632768, "Meta"} -> 
    {{98171, 68052, 64452}, 
     {" [ C33 H41 N3 O10, db=0.00, overall=27.22, mfg=54.45 ]", ""}}, 
   {425.3506, 12.640696, "Meta"} -> {{3114350, 2633704, 2827256}, {"", ""}}, 
   {185.1413, 12.638656, "Meta"} -> {{98866, 1, 89760}, 
     {"N-methyl-Gabapentin [ C10 H19 N O2, db=81.22, overall=40.61, KEGG ID=, \
CAS ID=102937-74-6 ]", "102937-74-6"}}, {285.2666, 12.643584, "Meta"} -> 
    {{1, 26032, 26488}, {"C17 Sphingosine [ C17 H35 N O2, db=57.52, \
overall=28.76, Lipid ID=LMSP01040002, KEGG ID= ]", ""}}, 
   {327.277, 12.625759, "Meta"} -> {{72510, 79925, 73339}, {"", ""}}, 
   {821.5705, 12.638498, "Meta"} -> {{38171, 29900, 32185}, {"", ""}}, 
   {268.24, 12.642863, "Meta"} -> {{78367, 98973, 91707}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=79.16, overall=39.58, Lipid \
ID=LMFA01030060, KEGG ID= ]", ""}}, {545.3922, 12.643999, "Meta"} -> 
    {{72499, 87363, 76877}, {"", ""}}, {302.1891, 12.6535015, "Meta"} -> 
    {{22285, 22190, 1}, {"2-Methoxyestradiol [ C19 H26 O3, db=65.37, \
overall=32.69, HMP ID=HMDB00405, KEGG ID= ]", ""}}, 
   {650.4213, 12.651346, "Meta"} -> {{1, 225372, 241761}, {"", ""}}, 
   {645.466, 12.651555, "Meta"} -> {{280477, 236806, 233345}, {"", ""}}, 
   {335.2434, 12.66379, "Meta"} -> {{518332, 526453, 614439}, {"", ""}}, 
   {256.2034, 12.661515, "Meta"} -> {{121271, 79786, 94344}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=61.28, overall=30.64, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {493.3169, 12.66411, "Meta"} -> 
    {{2294436, 1439095, 1741155}, {"", ""}}, {531.2641, 12.663871, "Meta"} -> 
    {{151129, 106559, 99828}, {"", ""}}, {590.3068, 12.671346, "Meta"} -> 
    {{47907, 47985, 41688}, {"D-Urobilinogen [ C33 H42 N4 O6, db=52.07, \
overall=26.03, HMP ID=HMDB04158, KEGG ID= ]", ""}}, 
   {396.1935, 12.680503, "Meta"} -> {{130678, 1, 110705}, 
     {"Pregnenolone sulfate [ C21 H32 O5 S, db=36.59, overall=18.29, HMP \
ID=HMDB00774, KEGG ID= ]", ""}}, {632.5102, 12.680666, "Meta"} -> 
    {{86028, 91839, 1}, {"", ""}}, {865.5968, 12.684233, "Meta"} -> 
    {{35178, 1, 31292}, {"", ""}}, {395.2349, 12.689027, "Meta"} -> 
    {{81599, 70584, 83528}, {"", ""}}, {379.2488, 12.687057, "Meta"} -> 
    {{1084413, 1119992, 1102957}, {"Sphingosine-1-phosphate [ C18 H38 N O5 P, \
db=99.36, overall=49.68, KEGG ID=, CAS ID=26993-30-6 ]", "26993-30-6"}}, 
   {319.2487, 12.687944, "Meta"} -> {{2093079, 2028842, 2009559}, 
     {"N-hydroxy arachidonoyl amine [ C20 H33 N O2, db=82.57, overall=41.29, \
Lipid ID=LMFA08020029, KEGG ID= ]", ""}}, {279.2564, 12.689749, "Meta"} -> 
    {{3158114, 2632609, 2934279}, {"", ""}}, {342.3243, 12.690058, "Meta"} -> 
    {{84430, 134754, 104751}, {"", ""}}, {352.236, 12.696232, "Meta"} -> 
    {{280148, 1, 1}, {"", ""}}, {180.0781, 12.695332, "Meta"} -> 
    {{95617, 38876, 55730}, {"o-Methoxyhydrocinnamic acid [ C10 H12 O3, \
db=82.64, overall=41.32, KEGG ID=, CAS ID= ]", ""}}, 
   {314.1855, 12.695227, "Meta"} -> {{1, 1, 353418}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=73.03, overall=36.52, KEGG ID=, \
CAS ID=38030-57-8 ]", "38030-57-8"}}, {309.2304, 12.69561, "Meta"} -> 
    {{982986, 423238, 553628}, {"", ""}}, {475.2699, 12.694333, "Meta"} -> 
    {{251382, 207174, 207255}, {"", ""}}, {236.1406, 12.695944, "Meta"} -> 
    {{61747, 34880, 35773}, {"", ""}}, {689.4924, 12.699888, "Meta"} -> 
    {{236081, 207575, 201241}, {"", ""}}, {672.4659, 12.699749, "Meta"} -> 
    {{308862, 231425, 248208}, {"", ""}}, {609.351, 12.6962595, "Meta"} -> 
    {{142702, 140485, 130606}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl [ C32 H51 N O10, \
db=94.76, overall=47.38, HMP ID=HMDB02474, KEGG ID= ]", ""}}, 
   {382.2147, 12.704666, "Meta"} -> {{1, 13116, 1}, 
     {"3,12-Dioxochola-1,4,9(11)-trien-24-oic Acid [ C24 H30 O4, db=73.34, \
overall=36.67, Lipid ID=, KEGG ID= ]", ""}}, {589.4187, 12.706942, "Meta"} -> 
    {{55252, 63177, 58863}, {"", ""}}, {307.2718, 12.7117195, "Meta"} -> 
    {{1, 20110, 30058}, {"", ""}}, {270.2192, 12.709618, "Meta"} -> 
    {{48968, 18176, 118623}, {"3-keto palmitic acid [ C16 H30 O3, db=85.03, \
overall=42.52, Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, 
   {537.217, 12.694345, "Meta"} -> {{60611, 53999, 52759}, {"", ""}}, 
   {499.2698, 12.711946, "Meta"} -> {{889520, 670466, 656636}, {"", ""}}, 
   {300.2299, 12.716436, "Meta"} -> {{361133, 323301, 326088}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=79.78, overall=39.89, \
Lipid ID=, KEGG ID= ]", ""}}, {630.4941, 12.715778, "Meta"} -> 
    {{34675, 45696, 43294}, {"", ""}}, {252.2085, 12.716553, "Meta"} -> 
    {{34868, 1, 47524}, {"2E,4E-hexadecadienoic acid [ C16 H28 O2, db=73.15, \
overall=36.57, Lipid ID=, KEGG ID= ]", ""}}, {914.5783, 12.727905, "Meta"} -> 
    {{57820, 39404, 41258}, {"", ""}}, {280.2014, 12.73493, "Meta"} -> 
    {{57214, 1, 46128}, 
     {"12S-HHTrE [ C17 H28 O3, db=42.31, overall=21.16, KEGG ID=, CAS ID= ]", 
      ""}}, {329.2928, 12.71444, "Meta"} -> {{495174, 392439, 705809}, 
     {"", ""}}, {355.2179, 12.744277, "Meta"} -> {{83767, 75220, 81239}, 
     {"p-Hydroxypropoxyphene [ C22 H29 N O3, db=63.66, overall=31.83, KEGG \
ID=, CAS ID=43117-32-4 ]", "43117-32-4"}}, {240.2085, 12.740068, "Meta"} -> 
    {{1, 53530, 63748}, {"2-pentadecenoic acid [ C15 H28 O2, db=72.07, \
overall=36.04, Lipid ID=, KEGG ID= ]", ""}}, {573.2378, 12.738915, "Meta"} -> 
    {{44537, 1, 30826}, {"", ""}}, {874.5164, 12.745845, "Meta"} -> 
    {{90838, 52350, 70119}, {"Ivermectin B1a [ C48 H74 O14, db=21.59, \
overall=10.80, KEGG ID=C07970, CAS ID=71827-03-7 ]", "71827-03-7"}}, 
   {615.29, 12.742728, "Meta"} -> {{87471, 86271, 90114}, {"", ""}}, 
   {393.2191, 12.747176, "Meta"} -> {{21182, 90399, 69974}, {"", ""}}, 
   {733.5184, 12.745, "Meta"} -> {{194742, 162011, 165515}, {"", ""}}, 
   {716.4917, 12.745065, "Meta"} -> {{240537, 1, 177731}, {"", ""}}, 
   {517.3169, 12.746193, "Meta"} -> {{9573144, 5601999, 6159425}, 
     {"Linolenoyl lysolecithin [ C26 H48 N O7 P, db=99.00, overall=49.50, \
KEGG ID=, CAS ID=63163-01-9 ]", "63163-01-9"}}, 
   {555.2641, 12.744076, "Meta"} -> {{413623, 236316, 294147}, 
     {"Leucine Enkephalin [ C28 H37 N5 O7, db=46.08, overall=23.04, KEGG ID=, \
CAS ID=81678-16-2 ]", "81678-16-2"}}, {1096.581, 12.747542, "Meta"} -> 
    {{396148, 269987, 401460}, {"", ""}}, {1058.6335, 12.748626, "Meta"} -> 
    {{2140422, 930047, 968185}, {"", ""}}, {451.2698, 12.751194, "Meta"} -> 
    {{294976, 216105, 239760}, {"", ""}}, {1104.6042, 12.750401, "Meta"} -> 
    {{89688, 53965, 111759}, {"", ""}}, {594.238, 12.752146, "Meta"} -> 
    {{144617, 100553, 98883}, {"", ""}}, {1661.8961, 12.749751, "Meta"} -> 
    {{1, 167641, 138164}, {"", ""}}, {295.2514, 12.752306, "Meta"} -> 
    {{7967926, 6021644, 9120661}, {"", ""}}, {646.5257, 12.745705, "Meta"} -> 
    {{20574, 41594, 43696}, {"", ""}}, {654.2522, 12.751028, "Meta"} -> 
    {{194132, 145902, 131569}, {"", ""}}, {541.3161, 12.752888, "Meta"} -> 
    {{4.2*^7, 2.09*^7, 2.27*^7}, {"", ""}}, {597.2377, 12.750058, "Meta"} -> 
    {{198410, 146855, 153132}, {"", ""}}, {579.2647, 12.7531395, "Meta"} -> 
    {{1268640, 1042660, 1014118}, 
     {" [ C32 H39 N2 O8, db=0.00, overall=32.44, mfg=64.87 ]", ""}}, 
   {710.2763, 12.752368, "Meta"} -> {{70172, 45299, 43178}, {"", ""}}, 
   {639.2909, 12.752972, "Meta"} -> {{243537, 269437, 270606}, 
     {" [ C33 H41 N3 O10, db=0.00, overall=34.40, mfg=68.80 ]", ""}}, 
   {563.2865, 12.751833, "Meta"} -> {{109224, 79074, 76653}, {"", ""}}, 
   {278.2243, 12.768029, "Meta"} -> {{216524, 218128, 177830}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=76.66, overall=38.33, Lipid \
ID=LMFA01030148, KEGG ID= ]", ""}}, {958.6044, 12.764857, "Meta"} -> 
    {{22848, 32102, 34828}, {"", ""}}, {1613.8976, 12.766002, "Meta"} -> 
    {{198069, 123194, 125650}, {"", ""}}, {358.1711, 12.782434, "Meta"} -> 
    {{55732, 62958, 70186}, {"", ""}}, {298.1468, 12.782714, "Meta"} -> 
    {{67092, 75279, 81185}, {"", ""}}, {345.1374, 12.7813015, "Meta"} -> 
    {{29058, 35473, 27453}, {"", ""}}, {200.1773, 12.781779, "Meta"} -> 
    {{155669, 176247, 173076}, {"Lauric acid [ C12 H24 O2, db=93.72, \
overall=46.86, KEGG ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, 
   {214.1929, 12.781723, "Meta"} -> {{110454, 123778, 114235}, 
     {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, db=85.75, overall=42.87, \
KEGG ID=, CAS ID= ]", ""}}, {254.224, 12.784, "Meta"} -> 
    {{121641, 75066, 135805}, {"7-palmitoleic acid [ C16 H30 O2, db=89.68, \
overall=44.84, Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, 
   {1072.5817, 12.78529, "Meta"} -> {{575726, 390480, 385935}, {"", ""}}, 
   {777.5449, 12.788111, "Meta"} -> {{152759, 122387, 118098}, {"", ""}}, 
   {294.2171, 12.80724, "Meta"} -> {{1, 1, 1}, {"12-oxo-9-octadecynoic acid [ \
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   {986.6337, 12.798241, "Meta"} -> {{1156378, 958880, 912759}, {"", ""}}, 
   {483.3767, 12.801028, "Meta"} -> {{151985, 96761, 126675}, {"", ""}}, 
   {466.3504, 12.800827, "Meta"} -> {{239745, 186452, 191129}, {"", ""}}, 
   {515.2983, 12.801221, "Meta"} -> {{4153199, 3132984, 3026923}, {"", ""}}, 
   {272.1993, 12.802755, "Meta"} -> {{1, 49399, 48809}, 
     {"3-methyl-tetradecanedioic acid [ C15 H28 O4, db=87.86, overall=43.93, \
Lipid ID=, KEGG ID= ]", ""}}, {1002.6305, 12.8012295, "Meta"} -> 
    {{1, 36334, 37532}, {"", ""}}, {1024.5826, 12.804735, "Meta"} -> 
    {{591368, 331466, 409646}, {"", ""}}, {591.2919, 12.809055, "Meta"} -> 
    {{325167, 337234, 340914}, 
     {" [ C34 H41 N O8, db=0.00, overall=41.36, mfg=82.72 ]", ""}}, 
   {606.2508, 12.808973, "Meta"} -> {{186246, 145003, 120400}, {"", ""}}, 
   {493.3159, 12.811169, "Meta"} -> {{2.68*^7, 1.71*^7, 1.7*^7}, {"", ""}}, 
   {531.2643, 12.810324, "Meta"} -> {{1069396, 819169, 814587}, {"", ""}}, 
   {549.2373, 12.808871, "Meta"} -> {{138492, 100918, 94661}, {"", ""}}, 
   {454.3057, 12.813647, "Meta"} -> {{28686, 14766, 26747}, 
     {"26,26,26-trifluoro-25-hydroxyvitamin D3 / \
26,26,26-trifluoro-25-hydroxycholecalciferol [ C27 H41 F3 O2, db=85.90, \
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   {414.3129, 12.812971, "Meta"} -> {{54574, 49923, 45505}, 
     {"1alpha,25-dihydroxy-9,11-didehydrovitamin D_3 / \
1alpha,25-dihydroxy-9,11-didehydrocholecalciferol [ C27 H42 O3, db=82.66, \
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   {596.2634, 12.8228445, "Meta"} -> {{30621, 33953, 51308}, {"", ""}}, 
   {437.2892, 12.8172, "Meta"} -> {{1, 1, 38247}, {"", ""}}, 
   {682.4242, 12.824768, "Meta"} -> {{25564, 1, 1}, {"", ""}}, 
   {398.2432, 12.822418, "Meta"} -> {{57209, 65275, 886200}, {"", ""}}, 
   {677.4712, 12.822635, "Meta"} -> {{27122, 31150, 26585}, {"", ""}}, 
   {256.2036, 12.822162, "Meta"} -> {{81947, 93998, 87879}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=61.54, overall=30.77, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {826.5262, 12.818275, "Meta"} -> 
    {{175627, 112676, 123910}, {"", ""}}, {280.2011, 12.8328, "Meta"} -> 
    {{1, 52897, 50583}, 
     {"12S-HHTrE [ C17 H28 O3, db=40.55, overall=20.28, KEGG ID=, CAS ID= ]", 
      ""}}, {821.5706, 12.8296385, "Meta"} -> {{112707, 98543, 97308}, 
     {"", ""}}, {240.2083, 12.832307, "Meta"} -> {{1, 47389, 46416}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=72.97, overall=36.49, Lipid ID=, \
KEGG ID= ]", ""}}, {527.403, 12.835585, "Meta"} -> 
    {{282403, 231148, 223779}, {"", ""}}, {510.3765, 12.837113, "Meta"} -> 
    {{456652, 339466, 367488}, {"", ""}}, {901.4447, 12.842889, "Meta"} -> 
    {{44378, 36677, 34975}, {"", ""}}, {338.2438, 12.854486, "Meta"} -> 
    {{38044, 37698, 34644}, {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=56.30, \
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    {{133636, 111369, 73169}, {"", ""}}, {588.2239, 12.856218, "Meta"} -> 
    {{11601, 20872, 23022}, {"", ""}}, {414.1448, 12.856258, "Meta"} -> 
    {{21094, 21889, 22448}, {"", ""}}, {472.187, 12.863851, "Meta"} -> 
    {{17658, 15318, 20199}, 
     {"Trp His Met [ C22 H28 N6 O4 S, db=36.23, overall=18.12 ]", ""}}, 
   {865.5967, 12.867527, "Meta"} -> {{74844, 65946, 64561}, {"", ""}}, 
   {870.5522, 12.86621, "Meta"} -> {{78463, 53869, 82563}, {"", ""}}, 
   {515.2333, 12.872112, "Meta"} -> {{89436, 100796, 89729}, {"", ""}}, 
   {384.1824, 12.871333, "Meta"} -> {{117158, 26104, 48465}, {"", ""}}, 
   {554.4028, 12.871445, "Meta"} -> {{591390, 455319, 483723}, {"", ""}}, 
   {500.1787, 12.860778, "Meta"} -> {{37208, 38212, 34844}, 
     {"gamma-Hydroxyphenylbutazone glucuronide [ C25 H28 N2 O9, db=78.83, \
overall=39.41, KEGG ID=, CAS ID= ]", ""}}, {444.2075, 12.872678, "Meta"} -> 
    {{85732, 24821, 38071}, {"", ""}}, {477.2857, 12.872913, "Meta"} -> 
    {{1705905, 1597964, 1562309}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=70.03, overall=35.02 ]", ""}}, 
   {560.2004, 12.861138, "Meta"} -> {{22210, 20896, 19968}, {"", ""}}, 
   {571.4295, 12.871741, "Meta"} -> {{386778, 331548, 339696}, {"", ""}}, 
   {370.1814, 12.859806, "Meta"} -> {{129918, 120208, 120775}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=96.30, \
overall=48.15, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {468.1503, 12.861229, "Meta"} -> {{22649, 16763, 19879}, {"", ""}}, 
   {352.1708, 12.858888, "Meta"} -> {{38867, 36670, 34686}, {"", ""}}, 
   {286.2145, 12.873165, "Meta"} -> {{5930037, 397713, 2663615}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=98.68, overall=49.34, HMP \
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    {{2250084, 482649, 940337}, {"9-lauroleic acid [ C12 H22 O2, db=98.26, \
overall=49.13, Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, 
   {346.2464, 12.87547, "Meta"} -> {{450692, 111496, 209963}, {"", ""}}, 
   {303.2406, 12.874667, "Meta"} -> {{1740791, 435668, 784492}, {"", ""}}, 
   {110.1092, 12.874167, "Meta"} -> {{712618, 156870, 303074}, {"", ""}}, 
   {331.272, 12.874617, "Meta"} -> {{248270, 86332, 146339}, {"", ""}}, 
   {312.23, 12.861374, "Meta"} -> {{1, 1, 77643}, {"8,13-dihydroxy-9,11-octad\
ecadienoic acid [ C18 H32 O4, db=73.37, overall=36.68, Lipid ID=, KEGG ID= ]"\
, ""}}, {360.2661, 12.891426, "Meta"} -> {{114407, 94626, 105011}, 
     {"1alpha,23-dihydroxy-24,25,26,27-tetranorvitamin D3 / \
1alpha,23-dihydroxy-24,25,26,27-tetranorcholeca [ C23 H36 O3, db=79.75, \
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   {472.2434, 12.8901825, "Meta"} -> {{42006, 47412, 45167}, {"", ""}}, 
   {548.23, 12.8912735, "Meta"} -> {{1, 16585, 14443}, {"", ""}}, 
   {342.2169, 12.894272, "Meta"} -> {{121051, 159461, 147519}, 
     {"Megestrol [ C22 H30 O3, db=77.08, overall=38.54, KEGG ID=C07120, CAS \
ID=3562-63-8 ]", "3562-63-8"}}, {256.2187, 12.893861, "Meta"} -> 
    {{44331, 56135, 55564}, {"", ""}}, {927.4605, 12.892209, "Meta"} -> 
    {{11389, 1, 1}, {"", ""}}, {911.496, 12.892471, "Meta"} -> 
    {{26883, 45735, 38808}, {"", ""}}, {539.2333, 12.903911, "Meta"} -> 
    {{130351, 185619, 161417}, {"", ""}}, {501.2855, 12.907584, "Meta"} -> 
    {{2735245, 4206415, 4297228}, {"Fexofenadine [ C32 H39 N O4, db=58.07, \
overall=29.03, KEGG ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {861.5497, 12.909751, "Meta"} -> {{79962, 90224, 83960}, {"", ""}}, 
   {519.3325, 12.914667, "Meta"} -> {{5.38*^7, 4.25*^7, 3.13*^7}, 
     {"1-Linoleoylphosphatidylcholine [ C26 H50 N O7 P, db=99.74, \
overall=49.87, KEGG ID=, CAS ID=5655-12-9 ]", "12/9/55"}}, 
   {1012.6501, 12.914031, "Meta"} -> {{1313736, 725383, 785153}, {"", ""}}, 
   {635.2734, 12.919773, "Meta"} -> {{35471, 30345, 31698}, {"", ""}}, 
   {1076.6128, 12.916134, "Meta"} -> {{499941, 362282, 352921}, {"", ""}}, 
   {557.2806, 12.91837, "Meta"} -> {{1478528, 971700, 930611}, {"", ""}}, 
   {541.3017, 12.946648, "Meta"} -> {{88641, 1, 74549}, {"", ""}}, 
   {688.2915, 12.91703, "Meta"} -> {{94811, 82220, 76304}, {"", ""}}, 
   {853.5446, 12.919279, "Meta"} -> {{43673, 50932, 48916}, {"", ""}}, 
   {632.2664, 12.917572, "Meta"} -> {{145844, 145071, 112515}, {"", ""}}, 
   {1091.581, 12.917712, "Meta"} -> {{1, 79375, 80950}, {"", ""}}, 
   {183.0655, 12.927937, "Meta"} -> {{267899, 216106, 230038}, {"", ""}}, 
   {1060.6475, 12.934857, "Meta"} -> {{988694, 3170364, 3022085}, {"", ""}}, 
   {1044.618, 12.990282, "Meta"} -> {{615049, 492576, 589724}, {"", ""}}, 
   {2658.6086, 13.000936, "Meta"} -> {{197273, 73569, 1}, {"", ""}}, 
   {239.0918, 12.93324, "Meta"} -> {{1, 25408, 1}, {"", ""}}, 
   {1619.9443, 12.934193, "Meta"} -> {{1, 160078, 118741}, {"", ""}}, 
   {1000.6499, 12.928946, "Meta"} -> {{1844279, 1239110, 1310064}, {"", ""}}, 
   {481.3173, 12.937497, "Meta"} -> {{5487705, 4483595, 4658826}, 
     {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=99.47, overall=49.74, Lipid \
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    {{773466, 297172, 299806}, {"", ""}}, {519.2655, 12.939625, "Meta"} -> 
    {{185353, 198157, 195981}, {"", ""}}, {617.3076, 12.924249, "Meta"} -> 
    {{50297, 195112, 222525}, {"", ""}}, {1661.919, 13.038292, "Meta"} -> 
    {{55077, 1, 64822}, {"", ""}}, {659.482, 12.942501, "Meta"} -> 
    {{462340, 405166, 417323}, {"", ""}}, {953.6495, 12.939168, "Meta"} -> 
    {{1, 28094, 28100}, {"", ""}}, {642.4556, 12.942776, "Meta"} -> 
    {{599959, 485501, 510488}, {"", ""}}, {543.3319, 12.949862, "Meta"} -> 
    {{2.48*^7, 2.07*^7, 2.33*^7}, {"Arachidonyl lysolecithin [ C28 H50 N O7 \
P, db=98.77, overall=49.38, KEGG ID=, CAS ID=63163-02-0 ]", "63163-02-0"}}, 
   {581.2797, 12.951424, "Meta"} -> {{637193, 624628, 580969}, {"", ""}}, 
   {656.2662, 12.954677, "Meta"} -> {{81352, 1, 70713}, {"", ""}}, 
   {1673.9594, 13.010462, "Meta"} -> {{1, 52132, 49840}, {"", ""}}, 
   {712.2917, 12.95822, "Meta"} -> {{42389, 45906, 41371}, {"", ""}}, 
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   {641.3042, 12.957588, "Meta"} -> {{114215, 110375, 119478}, {"", ""}}, 
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   {791.5607, 13.040998, "Meta"} -> {{240603, 212097, 218734}, 
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   {923.6393, 13.128447, "Meta"} -> {{135183, 142628, 142178}, {"", ""}}, 
   {369.2878, 13.135938, "Meta"} -> {{29819, 33444, 34943}, 
     {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, db=66.03, overall=33.01, \
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     {"12S-HHTrE [ C17 H28 O3, db=67.26, overall=33.63, KEGG ID=, CAS ID= ]", 
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     {"2-oxo-heptadecanoic acid [ C17 H32 O3, db=99.17, overall=49.59, Lipid \
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   {400.2138, 13.160443, "Meta"} -> {{126714, 124590, 167378}, 
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   {418.1866, 13.1605, "Meta"} -> {{38811, 36870, 40226}, 
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   {210.198, 13.161266, "Meta"} -> {{31588, 29159, 40869}, 
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     {"Trp Met Arg [ C22 H33 N7 O4 S, db=87.08, overall=43.54 ]", ""}}, 
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     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=99.55, overall=49.78, Lipid \
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   {717.5241, 13.237333, "Meta"} -> {{352646, 331652, 328757}, 
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    {{1068465, 834362, 822933}, {"1-heptadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetr\
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    {{1.01*^7, 6606428, 5778482}, {"", ""}}, 
   {1165.6327, 13.499093, "Meta"} -> {{225199, 199263, 173462}, {"", ""}}, 
   {1151.618, 13.505199, "Meta"} -> {{250295, 237498, 195458}, {"", ""}}, 
   {988.6857, 13.50629, "Meta"} -> {{802047, 448826, 475299}, {"", ""}}, 
   {339.2883, 13.506903, "Meta"} -> {{872980, 1127998, 1162551}, {"", ""}}, 
   {517.285, 13.498918, "Meta"} -> {{204035, 157996, 143750}, {"", ""}}, 
   {765.5234, 13.503918, "Meta"} -> {{182580, 97186, 149279}, {"", ""}}, 
   {1399.899, 13.508409, "Meta"} -> {{53458, 1, 1}, {"", ""}}, 
   {1050.7004, 13.5051985, "Meta"} -> {{841584, 552588, 635469}, {"", ""}}, 
   {1026.6353, 13.507728, "Meta"} -> {{75882, 63088, 60922}, {"", ""}}, 
   {1092.7122, 13.491323, "Meta"} -> {{942255, 1155612, 915501}, {"", ""}}, 
   {477.1903, 13.515063, "Meta"} -> {{32509, 36224, 1}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=52.47, overall=26.23, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {279.2562, 13.510799, "Meta"} -> 
    {{4522626, 4651060, 4632688}, {"", ""}}, 
   {1123.622, 13.4977045, "Meta"} -> {{1, 1, 51049}, {"", ""}}, 
   {598.2433, 13.509795, "Meta"} -> {{32059, 35489, 25634}, {"", ""}}, 
   {846.5917, 13.509481, "Meta"} -> {{1208380, 941795, 128930}, {"", ""}}, 
   {863.6182, 13.510503, "Meta"} -> {{1038384, 746672, 868623}, 
     {"C22 Sulfatide [ C46 H89 N O11 S, db=87.95, overall=43.97, Lipid \
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    {{1, 1, 71990}, {"", ""}}, {612.2584, 13.509334, "Meta"} -> 
    {{380703, 373005, 321723}, {"", ""}}, {580.2323, 13.509277, "Meta"} -> 
    {{613848, 571646, 497978}, {"", ""}}, {547.2957, 13.523854, "Meta"} -> 
    {{430410, 428621, 407389}, {"", ""}}, {644.2847, 13.51143, "Meta"} -> 
    {{918063, 1, 754851}, {"", ""}}, {509.3475, 13.52603, "Meta"} -> 
    {{2.08*^7, 1.41*^7, 1.73*^7}, {"", ""}}, {658.2652, 13.513304, "Meta"} -> 
    {{67999, 65135, 41331}, {"", ""}}, {607.3208, 13.524964, "Meta"} -> 
    {{163328, 183217, 184880}, {"", ""}}, {907.6449, 13.525166, "Meta"} -> 
    {{1159585, 906721, 997504}, {"3-O-Sulfogalactosylceramide [ C48 H93 N O12 \
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   {890.6182, 13.524207, "Meta"} -> {{1, 153990, 961605}, {"", ""}}, 
   {720.3006, 13.519515, "Meta"} -> {{41786, 35959, 28895}, {"", ""}}, 
   {672.2796, 13.517088, "Meta"} -> {{306019, 227454, 192604}, {"", ""}}, 
   {571.3639, 13.521864, "Meta"} -> {{8201083, 6864440, 6449437}, {"", ""}}, 
   {354.2171, 13.571854, "Meta"} -> {{18047, 60662, 20861}, 
     {"Levonorgestrel acetate [ C23 H30 O3, db=64.58, overall=32.29, KEGG \
ID=, CAS ID=13732-69-9 ]", "13732-69-9"}}, {814.5046, 13.536868, "Meta"} -> 
    {{160863, 62899, 121877}, {"", ""}}, {809.5497, 13.531092, "Meta"} -> 
    {{134553, 55429, 124348}, {"", ""}}, {734.3164, 13.525888, "Meta"} -> 
    {{123291, 103474, 90331}, {"", ""}}, {299.2825, 13.542036, "Meta"} -> 
    {{130594, 84440, 79103}, {"3-Dehydrosphinganine [ C18 H37 N O2, db=93.67, \
overall=46.83, KEGG ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {706.3211, 13.528087, "Meta"} -> {{68896, 1, 47362}, {"", ""}}, 
   {1369.8884, 13.563042, "Meta"} -> {{28440, 1, 1}, {"", ""}}, 
   {934.6437, 13.537066, "Meta"} -> {{140437, 103881, 113832}, {"", ""}}, 
   {951.6706, 13.535638, "Meta"} -> {{987685, 956169, 1012799}, {"", ""}}, 
   {395.3035, 13.538113, "Meta"} -> {{275345, 281323, 326211}, {"", ""}}, 
   {400.2588, 13.538917, "Meta"} -> {{701918, 886485, 863120}, 
     {"Ophiobolin A [ C25 H36 O4, db=54.29, overall=27.15, Lipid \
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    {{213059, 222734, 211391}, {"Diphenoxylate [ C30 H32 N2 O2, db=83.13, \
overall=41.56, KEGG ID=C07872, CAS ID=915-30-0 ]", "915-30-0"}}, 
   {354.2765, 13.544889, "Meta"} -> {{5555924, 6248785, 6132697}, 
     {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 O4, db=86.35, \
overall=43.17, KEGG ID=, CAS ID= ]", ""}}, {491.2062, 13.533772, "Meta"} -> 
    {{61547, 64923, 54084}, 
     {"Tyr Phe Tyr [ C27 H29 N3 O6, db=57.52, overall=28.76 ]", ""}}, 
   {414.3093, 13.543919, "Meta"} -> {{459716, 562795, 559561}, {"", ""}}, 
   {371.3036, 13.545373, "Meta"} -> {{1597664, 1719385, 1796003}, {"", ""}}, 
   {1000.6522, 13.561621, "Meta"} -> {{153802, 125935, 112330}, {"", ""}}, 
   {995.6966, 13.547221, "Meta"} -> {{623651, 801980, 861120}, {"", ""}}, 
   {262.2296, 13.545572, "Meta"} -> {{449429, 453175, 463524}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=92.20, overall=46.10, Lipid \
ID=, KEGG ID= ]", ""}}, {396.2665, 13.645791, "Meta"} -> 
    {{40640, 65989, 1}, {"", ""}}, {508.8397, 13.549695, "Meta"} -> 
    {{146057, 135153, 148752}, {"", ""}}, {1022.6367, 13.552206, "Meta"} -> 
    {{112023, 101393, 106534}, {"", ""}}, {267.2559, 13.55222, "Meta"} -> 
    {{803115, 660607, 648483}, {"", ""}}, {853.5758, 13.555092, "Meta"} -> 
    {{96443, 47201, 93496}, {"", ""}}, {501.2539, 13.558999, "Meta"} -> 
    {{42649, 21324, 19498}, {"", ""}}, {858.5316, 13.556654, "Meta"} -> 
    {{95164, 51351, 1}, {"", ""}}, {1028.648, 13.573232, "Meta"} -> 
    {{131066, 90940, 96880}, {"", ""}}, {837.5203, 13.564915, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {519.8613, 13.559681, "Meta"} -> 
    {{59938, 64305, 64993}, {"", ""}}, {1056.7491, 13.56075, "Meta"} -> 
    {{139045, 140599, 156954}, {"", ""}}, {530.8529, 13.562063, "Meta"} -> 
    {{164261, 158923, 158537}, {"", ""}}, {463.3064, 13.56053, "Meta"} -> 
    {{1765223, 984678, 1}, {"", ""}}, {334.1441, 13.569034, "Meta"} -> 
    {{1, 26265, 1}, 
     {"Arg Cys Gly [ C11 H22 N6 O4 S, db=50.72, overall=25.36 ]", ""}}, 
   {376.1987, 13.568419, "Meta"} -> {{37214, 1, 35389}, 
     {"Glu Thr Lys [ C15 H28 N4 O7, db=67.35, overall=33.68 ]", ""}}, 
   {316.1717, 13.568858, "Meta"} -> {{21019, 22976, 17948}, 
     {"Ala Asn Leu [ C13 H24 N4 O5, db=54.09, overall=27.05 ]", ""}}, 
   {278.2244, 13.568999, "Meta"} -> {{202263, 231547, 216341}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=86.05, overall=43.02, Lipid \
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    {{1, 295346, 321919}, {"", ""}}, {1088.7043, 13.572557, "Meta"} -> 
    {{678503, 488793, 501093}, {"", ""}}, {1110.6956, 13.577559, "Meta"} -> 
    {{1, 157713, 1}, {"", ""}}, {960.6902, 13.570629, "Meta"} -> 
    {{186673, 86361, 109842}, {"", ""}}, {902.5572, 13.5793, "Meta"} -> 
    {{1, 1, 48036}, {"", ""}}, {897.6025, 13.580344, "Meta"} -> 
    {{88936, 41631, 81455}, {"", ""}}, {294.2172, 13.592863, "Meta"} -> 
    {{44756, 51227, 42597}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, \
db=68.48, overall=34.24, Lipid ID=, KEGG ID= ]", ""}}, 
   {466.3728, 13.589202, "Meta"} -> {{46333, 1, 55796}, {"", ""}}, 
   {519.3001, 13.581778, "Meta"} -> {{387686, 278432, 252041}, {"", ""}}, 
   {594.2896, 13.585677, "Meta"} -> {{66937, 49722, 44876}, 
     {" [ C33 H42 N2 O8, db=0.00, overall=30.00, mfg=60.00 ]", ""}}, 
   {1132.7306, 13.584446, "Meta"} -> {{455528, 337907, 335947}, {"", ""}}, 
   {481.3526, 13.5835, "Meta"} -> {{2.16*^7, 1.37*^7, 1.4*^7}, 
     {"1-O-Hexadecyl-2-lyso-glycero-3-phosphorylcholine [ C24 H52 N O6 P, \
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   {579.3257, 13.584827, "Meta"} -> {{176228, 164104, 167087}, {"", ""}}, 
   {421.3402, 13.600849, "Meta"} -> {{336168, 218559, 390646}, {"", ""}}, 
   {364.2589, 13.5994625, "Meta"} -> {{161819, 198505, 182915}, 
     {"11-deoxy-16,16-dimethyl-PGE2 [ C22 H36 O4, db=63.57, overall=31.78, \
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    {{315669, 221931, 334915}, {"", ""}}, {1545.9933, 13.579229, "Meta"} -> 
    {{50643, 1, 83104}, {"", ""}}, {1176.7563, 13.596857, "Meta"} -> 
    {{381256, 250914, 419193}, {"", ""}}, {404.3139, 13.602781, "Meta"} -> 
    {{1450193, 1268592, 2002234}, {"", ""}}, {599.8735, 13.598457, "Meta"} -> 
    {{1, 43270, 1}, {"", ""}}, {946.5852, 13.60276, "Meta"} -> 
    {{38924, 1, 45592}, {"", ""}}, {547.3639, 13.597056, "Meta"} -> 
    {{1.22*^7, 1.03*^7, 1.05*^7}, {"", ""}}, {941.6301, 13.598959, "Meta"} -> 
    {{98539, 49504, 84118}, {"", ""}}, {585.3108, 13.596875, "Meta"} -> 
    {{319896, 302975, 266793}, {"", ""}}, {358.2483, 13.611223, "Meta"} -> 
    {{83604, 88560, 79114}, {"", ""}}, {312.2663, 13.609001, "Meta"} -> 
    {{746535, 947879, 1262950}, {"18-oxo-nonadecanoic acid [ C19 H36 O3, \
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   {1215.8278, 13.60837, "Meta"} -> {{607086, 507060, 267111}, {"", ""}}, 
   {1220.7823, 13.607741, "Meta"} -> {{242489, 1, 198495}, {"", ""}}, 
   {1232.8549, 13.610902, "Meta"} -> {{179284, 166019, 194736}, {"", ""}}, 
   {451.3062, 13.630885, "Meta"} -> {{1, 77312, 84572}, {"", ""}}, 
   {773.5247, 13.616361, "Meta"} -> {{36232, 29508, 1}, {"", ""}}, 
   {1264.8105, 13.619029, "Meta"} -> {{273885, 183513, 200868}, {"", ""}}, 
   {993.6999, 13.622969, "Meta"} -> {{44144, 42799, 50213}, {"", ""}}, 
   {629.9261, 13.618459, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {271.2509, 13.618684, "Meta"} -> {{34439, 51221, 33231}, 
     {"2R-aminohexadecanoic acid [ C16 H33 N O2, db=94.88, overall=47.44, \
Lipid ID=, KEGG ID= ]", ""}}, {367.1602, 13.626543, "Meta"} -> 
    {{25609, 20689, 17665}, {"prasterone sulfate [ C19 H27 O5 S, db=49.48, \
overall=24.74, KEGG ID=, CAS ID=78590-17-7 ]", "78590-17-7"}}, 
   {1276.8809, 13.6216545, "Meta"} -> {{1, 160291, 1}, {"", ""}}, 
   {254.2244, 13.625055, "Meta"} -> {{315912, 355026, 271013}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=96.21, overall=48.11, Lipid \
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    {{154839, 150528, 149326}, {"Estradiol valerate [ C23 H32 O3, db=47.05, \
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   {370.17, 13.628917, "Meta"} -> {{18490, 1, 1}, {"", ""}}, 
   {352.1935, 13.626401, "Meta"} -> {{71289, 87511, 72523}, {"", ""}}, 
   {308.235, 13.627833, "Meta"} -> {{3117666, 3138679, 2437208}, 
     {"methyl 9,10-epoxy-12,15-octadecadienoate [ C19 H32 O3, db=72.91, \
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    {{61418, 72597, 67393}, {"6,11-hexadecadienal [ C16 H28 O, db=62.84, \
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    {{77500, 84323, 83497}, {"ZK 159222 [ C32 H48 O5, db=76.77, \
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   {325.2617, 13.630723, "Meta"} -> {{355463, 267159, 282810}, 
     {"50oxo-ETE-d7 [ C20 H23 D7 O3, db=54.79, overall=27.39, Lipid \
ID=LMFA03060083, KEGG ID= ]", ""}}, {472.3549, 13.629856, "Meta"} -> 
    {{33851, 38289, 36815}, {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehyd\
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   {290.2243, 13.629774, "Meta"} -> {{167688, 148866, 156534}, 
     {"Androsterone [ C19 H30 O2, db=84.81, overall=42.40, KEGG ID=C00523, \
CAS ID=53-41-8 ]", "53-41-8"}}, {1303.8798, 13.632357, "Meta"} -> 
    {{1, 134715, 238053}, {"", ""}}, {1308.8383, 13.623311, "Meta"} -> 
    {{1, 127402, 96603}, {"", ""}}, {1320.9062, 13.631161, "Meta"} -> 
    {{152013, 1, 138544}, {"", ""}}, {484.3163, 13.628167, "Meta"} -> 
    {{76558, 57731, 1}, {"", ""}}, {589.3743, 13.630784, "Meta"} -> 
    {{346358, 176961, 233607}, {"", ""}}, {1347.9061, 13.640295, "Meta"} -> 
    {{62210, 52335, 234642}, {"", ""}}, {1364.9329, 13.639176, "Meta"} -> 
    {{140708, 120683, 122602}, {"", ""}}, {543.3015, 13.631483, "Meta"} -> 
    {{42501, 29973, 28599}, {"", ""}}, {268.2188, 13.641944, "Meta"} -> 
    {{849999, 804694, 776433}, {"", ""}}, {505.3532, 13.638071, "Meta"} -> 
    {{2375621, 1381930, 815920}, {"", ""}}, {1408.9576, 13.652612, "Meta"} -> 
    {{95693, 82756, 1}, {"", ""}}, {1418.8726, 13.652807, "Meta"} -> 
    {{73343, 67395, 88146}, {"", ""}}, {380.2538, 13.661728, "Meta"} -> 
    {{28785, 40653, 29232}, {"16,16-dimethyl-PGE2 [ C22 H36 O5, db=43.84, \
overall=21.92, Lipid ID=LMFA03010065, KEGG ID= ]", ""}}, 
   {277.2381, 13.661151, "Meta"} -> {{629393, 753286, 710578}, {"", ""}}, 
   {456.3809, 13.659138, "Meta"} -> {{48509, 67134, 56435}, {"", ""}}, 
   {1452.9851, 13.655355, "Meta"} -> {{80293, 77552, 84596}, {"", ""}}, 
   {1462.9037, 13.658624, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1457.9413, 13.6546545, "Meta"} -> {{114053, 108251, 24146}, {"", ""}}, 
   {535.364, 13.656915, "Meta"} -> {{2901892, 1426537, 1289543}, {"", ""}}, 
   {315.2885, 13.664111, "Meta"} -> {{1041803, 1269747, 1457695}, {"", ""}}, 
   {255.2563, 13.666528, "Meta"} -> {{5269263, 6248776, 6502024}, {"", ""}}, 
   {1497.008, 13.670268, "Meta"} -> {{58316, 53348, 41797}, {"", ""}}, 
   {300.3139, 13.665778, "Meta"} -> {{62331, 90313, 70234}, {"", ""}}, 
   {750.9837, 13.667515, "Meta"} -> {{49163, 44087, 44039}, {"", ""}}, 
   {1541.0359, 13.675578, "Meta"} -> {{38179, 33554, 57245}, {"", ""}}, 
   {561.3118, 13.6438, "Meta"} -> {{506978, 1, 1}, {"", ""}}, 
   {419.3251, 13.692777, "Meta"} -> {{353040, 389982, 365759}, {"", ""}}, 
   {585.5332, 13.689299, "Meta"} -> {{1, 1, 221293}, {"", ""}}, 
   {728.5284, 13.694607, "Meta"} -> {{346343, 288845, 295362}, 
     {" 1-heptadecanoyl, \
2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate [ C40 H75 N O8 P, \
db=67.05, overall=33.53, KEGG ID=, CAS ID= ]", ""}}, 
   {657.5026, 13.693542, "Meta"} -> {{50186, 44079, 44629}, {"", ""}}, 
   {745.5551, 13.695362, "Meta"} -> {{260483, 225062, 228679}, 
     {"GPEtn(18:0/18:1(9Z))[U] [ C41 H80 N O8 P, db=60.81, overall=30.41, \
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    {{391890, 351529, 358144}, {"", ""}}, {988.6896, 13.703807, "Meta"} -> 
    {{146065, 97604, 78408}, {"", ""}}, {481.3164, 13.701916, "Meta"} -> 
    {{8229587, 7461145, 7326144}, {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, \
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   {833.6076, 13.703074, "Meta"} -> {{571952, 1, 470138}, {"", ""}}, 
   {742.5407, 13.7042, "Meta"} -> {{42116, 52447, 58543}, {"", ""}}, 
   {312.2665, 13.707916, "Meta"} -> {{951680, 934467, 1213946}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=99.80, overall=49.90, Lipid \
ID=, KEGG ID= ]", ""}}, {493.3533, 13.702571, "Meta"} -> 
    {{694217, 349654, 337098}, {"", ""}}, {758.5224, 13.708063, "Meta"} -> 
    {{186449, 193587, 237051}, {"", ""}}, {690.5228, 13.667901, "Meta"} -> 
    {{12558, 16400, 31091}, {"1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(7Z,10\
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    {{18113, 23929, 25987}, {"", ""}}, {330.2764, 13.70722, "Meta"} -> 
    {{2.8*^7, 2.84*^7, 3.59*^7}, {"1-hexadecanoyl-sn-glycerol [ C19 H38 O4, \
db=96.78, overall=48.39, KEGG ID=, CAS ID= ]", ""}}, 
   {1359.0566, 13.708065, "Meta"} -> {{241830, 260634, 391173}, {"", ""}}, 
   {698.5018, 13.707211, "Meta"} -> {{79827, 82992, 113087}, {"", ""}}, 
   {347.3029, 13.707416, "Meta"} -> {{2977729, 3044142, 3900961}, {"", ""}}, 
   {1179.8202, 13.7051325, "Meta"} -> {{285088, 311785, 360087}, {"", ""}}, 
   {708.5384, 13.711206, "Meta"} -> {{49013, 64937, 72293}, {"", ""}}, 
   {446.2179, 13.704512, "Meta"} -> {{134386, 44749, 143116}, 
     {"Trp Glu Leu [ C22 H30 N4 O6, db=57.78, overall=28.89 ]", ""}}, 
   {428.2451, 13.707165, "Meta"} -> {{455845, 485169, 537259}, {"", ""}}, 
   {238.2293, 13.707944, "Meta"} -> {{248363, 299096, 304014}, 
     {"cis-11-Hexadecenal [ C16 H30 O, db=98.92, overall=49.46, KEGG ID=, CAS \
ID=53939-28-9 ]", "53939-28-9"}}, {443.2139, 13.701389, "Meta"} -> 
    {{137953, 43849, 187884}, {"", ""}}, {877.6339, 13.707833, "Meta"} -> 
    {{745135, 633676, 661077}, {"", ""}}, {390.3095, 13.707778, "Meta"} -> 
    {{854790, 954033, 1221998}, {"", ""}}, {361.3191, 13.7076845, "Meta"} -> 
    {{80807, 81974, 94845}, {"", ""}}, {488.2747, 13.70686, "Meta"} -> 
    {{85349, 94695, 109351}, {"Hydrocortisone butyrate propionate [ C28 H40 \
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   {636.4941, 13.70936, "Meta"} -> {{149261, 107380, 118877}, {"", ""}}, 
   {1205.8732, 13.708405, "Meta"} -> {{130160, 115934, 120896}, {"", ""}}, 
   {327.2883, 13.575701, "Meta"} -> {{1, 250248, 298630}, {"", ""}}, 
   {875.5992, 13.708193, "Meta"} -> {{124683, 1, 102340}, {"", ""}}, 
   {920.6385, 13.710331, "Meta"} -> {{69243, 72744, 1}, {"", ""}}, 
   {499.2362, 13.707289, "Meta"} -> {{53648, 60702, 63769}, {"", ""}}, 
   {660.4944, 13.711299, "Meta"} -> {{103130, 80718, 77859}, {"", ""}}, 
   {899.616, 13.707419, "Meta"} -> {{36430, 35192, 1}, {"", ""}}, 
   {904.6328, 13.710101, "Meta"} -> {{1126901, 265849, 269411}, {"", ""}}, 
   {860.6077, 13.708208, "Meta"} -> {{1, 785314, 826800}, {"", ""}}, 
   {497.3691, 13.71389, "Meta"} -> {{28508, 33023, 20086}, {"", ""}}, 
   {921.6601, 13.713472, "Meta"} -> {{866863, 722036, 826393}, {"", ""}}, 
   {507.3686, 13.708972, "Meta"} -> {{7574716, 5007228, 4698645}, {"", ""}}, 
   {938.6867, 13.711778, "Meta"} -> {{27732, 81846, 62328}, {"", ""}}, 
   {284.2349, 13.715, "Meta"} -> {{169551, 191367, 151260}, 
     {"2-oxo-heptadecanoic acid [ C17 H32 O3, db=75.45, overall=37.73, Lipid \
ID=, KEGG ID= ]", ""}}, {1026.7396, 13.723305, "Meta"} -> 
    {{51465, 64971, 52633}, {"", ""}}, {335.3185, 13.717598, "Meta"} -> 
    {{37131, 51502, 53516}, {"", ""}}, {965.6862, 13.719054, "Meta"} -> 
    {{894908, 746886, 779515}, {"", ""}}, {982.7166, 13.718828, "Meta"} -> 
    {{37859, 35672, 37612}, {"Thermozeaxanthin-17/ Zeaxanthin glucoside ester \
[ C63 H98 O8, db=32.76, overall=16.38, Lipid ID=LMPR01070109, KEGG ID= ]", 
      ""}}, {482.8427, 13.7168665, "Meta"} -> {{26486, 26022, 28722}, 
     {"", ""}}, {992.6864, 13.722834, "Meta"} -> {{860380, 694064, 715394}, 
     {"", ""}}, {504.8561, 13.722639, "Meta"} -> {{35295, 38781, 33780}, 
     {"", ""}}, {1031.695, 13.723343, "Meta"} -> {{113337, 126797, 104324}, 
     {"", ""}}, {1009.7122, 13.727061, "Meta"} -> {{1021447, 859005, 929020}, 
     {"", ""}}, {1058.6993, 13.73592, "Meta"} -> {{1, 765588, 1}, {"", ""}}, 
   {1053.7383, 13.736089, "Meta"} -> {{1141782, 868726, 892547}, {"", ""}}, 
   {338.2818, 13.758765, "Meta"} -> {{22810, 37379, 341756}, {"", ""}}, 
   {1119.7476, 13.730624, "Meta"} -> {{124869, 164231, 146723}, {"", ""}}, 
   {1114.7919, 13.734138, "Meta"} -> {{68340, 77109, 79031}, {"", ""}}, 
   {1102.7205, 13.739172, "Meta"} -> {{747934, 1, 621930}, {"", ""}}, 
   {1141.7909, 13.747208, "Meta"} -> {{627236, 461377, 485586}, {"", ""}}, 
   {1158.8184, 13.738751, "Meta"} -> {{91602, 101698, 107160}, {"", ""}}, 
   {1146.747, 13.749473, "Meta"} -> {{587949, 552140, 576944}, {"", ""}}, 
   {1202.8444, 13.744382, "Meta"} -> {{77907, 71513, 55816}, 
     {"Ganglioside GA2 (d18:1/26:1(17Z)) [ C64 H118 N2 O18, db=68.60, \
overall=34.30, HMP ID=HMDB04895, KEGG ID= ]", ""}}, 
   {1185.8173, 13.754801, "Meta"} -> {{676469, 581957, 616115}, {"", ""}}, 
   {1190.7725, 13.755764, "Meta"} -> {{491002, 495208, 386269}, {"", ""}}, 
   {1011.7083, 13.866961, "Meta"} -> {{153571, 145945, 51856}, {"", ""}}, 
   {1234.7983, 13.766872, "Meta"} -> {{1, 324545, 352971}, {"", ""}}, 
   {639.3065, 13.762452, "Meta"} -> {{180680, 40855, 132484}, 
     {"Protorifamycin I [ C35 H45 N O10, db=55.35, overall=27.68, Lipid \
ID=LMPK01000050, KEGG ID=C12246 ]", ""}}, {1229.8431, 13.765171, "Meta"} -> 
    {{564003, 483939, 1}, {"", ""}}, {636.3007, 13.76603, "Meta"} -> 
    {{163851, 212065, 161078}, {"", ""}}, {1246.8712, 13.768721, "Meta"} -> 
    {{34578, 1, 73317}, {"", ""}}, {692.323, 13.76518, "Meta"} -> 
    {{67639, 73417, 70172}, {"", ""}}, {579.284, 13.767687, "Meta"} -> 
    {{139798, 180899, 183315}, 
     {" [ C33 H41 N O8, db=0.00, overall=31.75, mfg=63.50 ]", ""}}, 
   {621.3346, 13.749526, "Meta"} -> {{342466, 355933, 635955}, {"", ""}}, 
   {1273.8698, 13.773914, "Meta"} -> {{321913, 246925, 223707}, {"", ""}}, 
   {1030.7332, 13.746588, "Meta"} -> {{2535426, 1573070, 1687632}, {"", ""}}, 
   {576.2868, 13.770852, "Meta"} -> {{68786, 70237, 90763}, {"", ""}}, 
   {1068.696, 13.763723, "Meta"} -> {{192224, 623318, 1}, {"", ""}}, 
   {1278.8254, 13.776278, "Meta"} -> {{295567, 331078, 320328}, {"", ""}}, 
   {561.3117, 13.775912, "Meta"} -> {{1, 1867996, 2159051}, {"", ""}}, 
   {1339.8785, 13.780607, "Meta"} -> {{119775, 143509, 145853}, {"", ""}}, 
   {567.3707, 13.7708, "Meta"} -> {{22104, 18523, 18558}, {"", ""}}, 
   {1322.8525, 13.784331, "Meta"} -> {{249538, 200874, 206997}, {"", ""}}, 
   {1334.9222, 13.792586, "Meta"} -> {{87771, 90116, 99427}, {"", ""}}, 
   {889.551, 13.800771, "Meta"} -> {{26866, 29907, 30759}, {"", ""}}, 
   {1099.6451, 13.763071, "Meta"} -> {{683921, 621619, 1}, {"", ""}}, 
   {523.3653, 13.780612, "Meta"} -> {{1.49*^8, 1.21*^8, 1.27*^8}, 
     {"1-hexadecyl-2-acetyl-glycero-3-phosphocholine [ C26 H54 N O7 P, \
db=85.55, overall=42.77, KEGG ID=, CAS ID=74389-68-7 ]", "74389-68-7"}}, 
   {865.5515, 13.794698, "Meta"} -> {{1, 94350, 80591}, {"", ""}}, 
   {1058.2133, 13.77028, "Meta"} -> {{239523, 186724, 197147}, {"", ""}}, 
   {1608.04, 13.77903, "Meta"} -> {{1882276, 1999097, 1724392}, {"", ""}}, 
   {2637.7942, 13.772834, "Meta"} -> {{432958, 363743, 358459}, {"", ""}}, 
   {1046.7288, 13.771727, "Meta"} -> {{7.55*^7, 6.18*^7, 6.33*^7}, {"", ""}}, 
   {171.108, 13.797971, "Meta"} -> {{433492, 181204, 190328}, {"", ""}}, 
   {1366.8785, 13.790698, "Meta"} -> {{187762, 1, 174188}, {"", ""}}, 
   {398.1857, 13.79976, "Meta"} -> {{246115, 1, 113645}, {"", ""}}, 
   {2131.4026, 13.776884, "Meta"} -> {{1575927, 1691133, 1555326}, {"", ""}}, 
   {321.2667, 13.802221, "Meta"} -> {{57270, 55733, 54286}, 
     {"Anandamide (18:3, n-6) [ C20 H35 N O2, db=98.53, overall=49.26, Lipid \
ID=LMFA08040003, KEGG ID= ]", ""}}, {1378.9491, 13.801964, "Meta"} -> 
    {{90125, 87055, 99726}, {"", ""}}, {1410.9069, 13.799668, "Meta"} -> 
    {{1, 108677, 1}, {"", ""}}, {326.2219, 13.802333, "Meta"} -> 
    {{86470, 86354, 76621}, {"3a-OH Desogestrel [ C22 H30 O2, db=65.76, \
overall=32.88, KEGG ID=, CAS ID=70805-84-4 ]", "70805-84-4"}}, 
   {495.3673, 13.825147, "Meta"} -> {{387385, 243149, 272075}, {"", ""}}, 
   {1405.9486, 13.799881, "Meta"} -> {{278778, 133834, 252536}, {"", ""}}, 
   {345.2666, 13.810092, "Meta"} -> {{89130, 1, 60567}, 
     {"Anandamide (20:5, n-3) [ C22 H35 N O2, db=85.48, overall=42.74, Lipid \
ID=LMFA08040008, KEGG ID= ]", ""}}, {328.2401, 13.805646, "Meta"} -> 
    {{108188, 95964, 98351}, {"3,9,15-Docosatriynoic acid [ C22 H32 O2, \
db=84.46, overall=42.23, Lipid ID=, KEGG ID= ]", ""}}, 
   {1422.9753, 13.803818, "Meta"} -> {{90808, 74411, 1}, {"", ""}}, 
   {1330.8604, 13.71827, "Meta"} -> {{90460, 88898, 95291}, {"", ""}}, 
   {1454.929, 13.805271, "Meta"} -> {{113235, 139639, 81703}, {"", ""}}, 
   {536.5281, 13.803085, "Meta"} -> {{33867, 32267, 55151}, {"", ""}}, 
   {587.4892, 13.8079605, "Meta"} -> {{23905, 18964, 19745}, {"", ""}}, 
   {1449.9736, 13.80397, "Meta"} -> {{233436, 91135, 100385}, {"", ""}}, 
   {341.3044, 13.817472, "Meta"} -> {{2351690, 3078382, 3219859}, {"", ""}}, 
   {354.3241, 13.811501, "Meta"} -> {{30411, 45980, 1}, {"", ""}}, 
   {281.2712, 13.812444, "Meta"} -> {{1.97*^7, 2.87*^7, 2.81*^7}, 
     {"Oleamide [ C18 H35 N O, db=95.12, overall=47.56, KEGG ID=, CAS \
ID=301-02-0 ]", "301-02-0"}}, {1467.0009, 13.8062, "Meta"} -> 
    {{86119, 1, 1}, {"", ""}}, {312.3138, 13.81286, "Meta"} -> 
    {{84798, 116147, 136433}, {"", ""}}, {841.5513, 13.813585, "Meta"} -> 
    {{448655, 470424, 1}, {"", ""}}, {401.3155, 13.8185835, "Meta"} -> 
    {{89011, 119053, 128101}, {"", ""}}, {326.3296, 13.8149185, "Meta"} -> 
    {{338516, 466938, 431555}, {"", ""}}, {856.5198, 13.818584, "Meta"} -> 
    {{1, 1, 72251}, {"", ""}}, {1511.0262, 13.81507, "Meta"} -> 
    {{79595, 67480, 70836}, {"", ""}}, {376.2038, 13.804546, "Meta"} -> 
    {{160841, 120339, 18517}, {"fluorometholone [ C22 H29 F O4, db=59.20, \
overall=29.60, KEGG ID=, CAS ID=426-13-1 ]", "426-13-1"}}, 
   {887.643, 13.824824, "Meta"} -> {{196956, 177290, 176503}, {"", ""}}, 
   {262.2296, 13.822443, "Meta"} -> {{71664, 52664, 41278}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=86.48, overall=43.24, Lipid \
ID=, KEGG ID= ]", ""}}, {1555.054, 13.823677, "Meta"} -> 
    {{70129, 51657, 59084}, {"", ""}}, {1599.0771, 13.82784, "Meta"} -> 
    {{51513, 53160, 51959}, {"", ""}}, {393.1754, 13.824646, "Meta"} -> 
    {{1, 33698, 27561}, 
     {"Thr His His [ C16 H23 N7 O5, db=62.69, overall=31.35 ]", ""}}, 
   {280.2402, 13.821678, "Meta"} -> {{1, 562444, 553210}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.73, overall=42.36, \
Lipid ID=, KEGG ID= ]", ""}}, {404.272, 13.831084, "Meta"} -> 
    {{23648, 1, 28114}, {"", ""}}, {318.1871, 13.828527, "Meta"} -> 
    {{33730, 33705, 27957}, {"", ""}}, {336.1598, 13.82475, "Meta"} -> 
    {{76153, 75403, 60996}, {"", ""}}, {742.5544, 13.829965, "Meta"} -> 
    {{62322, 57676, 61823}, {"", ""}}, {264.2449, 13.830167, "Meta"} -> 
    {{184939, 161291, 176722}, {"9,12-octadecadienal [ C18 H32 O, db=93.91, \
overall=46.95, Lipid ID=, KEGG ID= ]", ""}}, {362.2315, 13.826858, "Meta"} -> 
    {{1, 17708, 1}, {"", ""}}, {637.5649, 13.826834, "Meta"} -> 
    {{586508, 546633, 553730}, {"", ""}}, {1604.0345, 13.831274, "Meta"} -> 
    {{75667, 60422, 77877}, {"", ""}}, {917.6042, 13.830849, "Meta"} -> 
    {{279427, 280672, 268350}, {"", ""}}, {454.2603, 13.837749, "Meta"} -> 
    {{187044, 191330, 184530}, {"18-acetoxy-PGF2alpha-11-acetate [ C24 H38 \
O8, db=67.62, overall=33.81, Lipid ID=LMFA03010098, KEGG ID= ]", ""}}, 
   {1643.1019, 13.833906, "Meta"} -> {{1, 36578, 41943}, {"", ""}}, 
   {356.2921, 13.832834, "Meta"} -> {{1501074, 5354863, 5463879}, 
     {"1-(11E-octadecenoyl)-rac-glycerol [ C21 H40 O4, db=98.15, \
overall=49.07, KEGG ID=, CAS ID= ]", ""}}, {416.3249, 13.833222, "Meta"} -> 
    {{188080, 240067, 319646}, {"", ""}}, {296.2716, 13.837235, "Meta"} -> 
    {{803798, 654017, 834357}, {"10-methylene-octadecanoic acid [ C19 H36 O2, \
db=78.33, overall=39.16, Lipid ID=, KEGG ID= ]", ""}}, 
   {595.554, 13.834362, "Meta"} -> {{327405, 239665, 338298}, {"", ""}}, 
   {331.3083, 13.839138, "Meta"} -> {{23928, 1, 1}, {"", ""}}, 
   {1648.0614, 13.838582, "Meta"} -> {{1, 64806, 66732}, {"", ""}}, 
   {314.2819, 13.838939, "Meta"} -> {{559936, 443742, 634901}, 
     {"2-hydroxy-nonadecanoic acid [ C19 H38 O3, db=79.99, overall=40.00, \
Lipid ID=, KEGG ID= ]", ""}}, {359.3394, 13.840835, "Meta"} -> 
    {{25335, 25624, 28724}, {"", ""}}, {550.5438, 13.840639, "Meta"} -> 
    {{189537, 262548, 256099}, {"", ""}}, {345.3232, 13.839605, "Meta"} -> 
    {{8720, 1, 10668}, {"", ""}}, {351.3135, 13.836865, "Meta"} -> 
    {{17456, 29420, 23376}, {"Anandamide (20:2, n-6) [ C22 H41 N O2, \
db=87.77, overall=43.88, Lipid ID=LMFA08040002, KEGG ID= ]", ""}}, 
   {589.5048, 13.843435, "Meta"} -> {{162980, 168985, 155417}, {"", ""}}, 
   {593.5384, 13.859751, "Meta"} -> {{79581, 53726, 68409}, {"", ""}}, 
   {486.3916, 13.846743, "Meta"} -> {{1, 33113, 33107}, {"", ""}}, 
   {269.2717, 13.850058, "Meta"} -> {{357444, 373096, 1}, {"", ""}}, 
   {958.5066, 13.858265, "Meta"} -> {{149071, 155023, 143224}, {"", ""}}, 
   {312.2662, 13.867914, "Meta"} -> {{453346, 343285, 608973}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=84.87, overall=42.44, Lipid \
ID=, KEGG ID= ]", ""}}, {376.1632, 13.867001, "Meta"} -> 
    {{121156, 59905, 138676}, {"", ""}}, {875.5037, 13.871608, "Meta"} -> 
    {{170223, 169833, 142592}, {"", ""}}, {807.4806, 13.867861, "Meta"} -> 
    {{2324701, 1553152, 1751808}, {"", ""}}, {268.2402, 13.870259, "Meta"} -> 
    {{49118, 52630, 67091}, {"9-heptadecylenic acid [ C17 H32 O2, db=81.99, \
overall=40.99, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {360.1681, 13.864379, "Meta"} -> {{72192, 66224, 67306}, 
     {"Leu Asn Asp [ C14 H24 N4 O7, db=34.15, overall=17.08 ]", ""}}, 
   {914.4793, 13.871298, "Meta"} -> {{34964, 31325, 36907}, {"", ""}}, 
   {418.1739, 13.870945, "Meta"} -> {{58807, 80443, 77301}, 
     {"Nimodipine [ C21 H26 N2 O7, db=61.54, overall=30.77, KEGG ID=C07267, \
CAS ID=66085-59-4 ]", "66085-59-4"}}, {662.2484, 13.876678, "Meta"} -> 
    {{48250, 48625, 52009}, {"", ""}}, {1103.5966, 13.872333, "Meta"} -> 
    {{2656865, 2368254, 2206084}, {"", ""}}, {346.1531, 13.871804, "Meta"} -> 
    {{609301, 613754, 589279}, {"", ""}}, {390.1788, 13.869486, "Meta"} -> 
    {{321984, 348372, 353988}, 
     {"Asp Lys Glu [ C15 H26 N4 O8, db=62.57, overall=31.29 ]", ""}}, 
   {1153.6309, 13.874, "Meta"} -> {{1, 384151, 407434}, {"", ""}}, 
   {328.1421, 13.873054, "Meta"} -> {{274655, 251926, 223640}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=67.54, overall=33.77 ]", ""}}, 
   {357.3227, 13.877501, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {294.0996, 13.875195, "Meta"} -> {{120559, 104144, 111613}, {"", ""}}, 
   {1135.623, 13.873161, "Meta"} -> {{294169, 288283, 263359}, {"", ""}}, 
   {239.1157, 13.8723, "Meta"} -> {{1, 25242, 1}, {"", ""}}, 
   {1189.6305, 13.875001, "Meta"} -> {{36223, 38834, 37380}, {"", ""}}, 
   {420.1898, 13.874806, "Meta"} -> {{20963, 22315, 20589}, 
     {"Gln His His [ C17 H24 N8 O5, db=42.13, overall=21.06 ]", ""}}, 
   {670.265, 13.873167, "Meta"} -> {{46914, 45432, 38432}, {"", ""}}, 
   {580.2324, 13.874638, "Meta"} -> {{5372323, 4049623, 4500151}, {"", ""}}, 
   {640.2526, 13.874076, "Meta"} -> {{1, 129719, 117226}, {"", ""}}, 
   {612.2593, 13.875, "Meta"} -> {{4133405, 3834688, 3798910}, {"", ""}}, 
   {644.284, 13.875222, "Meta"} -> {{9475596, 8784629, 7914591}, {"", ""}}, 
   {1180.491, 13.877401, "Meta"} -> {{50384, 48434, 1}, {"", ""}}, 
   {1254.532, 13.877502, "Meta"} -> {{114242, 18479, 1}, {"", ""}}, 
   {864.3481, 13.876028, "Meta"} -> {{142234, 134144, 115285}, {"", ""}}, 
   {282.1003, 13.8762245, "Meta"} -> {{588976, 571668, 526421}, {"", ""}}, 
   {706.3213, 13.875223, "Meta"} -> {{591916, 513336, 473360}, {"", ""}}, 
   {1242.5096, 13.876581, "Meta"} -> {{46954, 66978, 31911}, {"", ""}}, 
   {582.2468, 13.8751, "Meta"} -> {{6412055, 5768774, 1}, 
     {"Biliverdin IX [ C33 H34 N4 O6, db=45.81, overall=22.91, HMP \
ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", " 114-25-0"}}, 
   {896.3746, 13.876728, "Meta"} -> {{171304, 184531, 128334}, {"", ""}}, 
   {720.3007, 13.875195, "Meta"} -> {{376887, 319585, 271337}, {"", ""}}, 
   {908.3734, 13.876348, "Meta"} -> {{96100, 90250, 1}, {"", ""}}, 
   {636.1519, 13.87985, "Meta"} -> {{62395, 56045, 52270}, {"", ""}}, 
   {943.4197, 13.876037, "Meta"} -> {{127030, 111525, 98637}, {"", ""}}, 
   {1192.4886, 13.875974, "Meta"} -> {{213670, 179708, 691049}, {"", ""}}, 
   {1226.5306, 13.877594, "Meta"} -> {{295057, 236958, 1}, {"", ""}}, 
   {314.1267, 13.875557, "Meta"} -> {{764804, 733976, 643118}, {"", ""}}, 
   {748.2959, 13.87564, "Meta"} -> {{145139, 119160, 92408}, {"", ""}}, 
   {734.3167, 13.875916, "Meta"} -> {{1113238, 923814, 770450}, {"", ""}}, 
   {970.4116, 13.876899, "Meta"} -> {{116646, 104717, 87841}, {"", ""}}, 
   {867.3674, 13.8762865, "Meta"} -> {{290721, 254319, 202564}, {"", ""}}, 
   {926.3857, 13.876266, "Meta"} -> {{151364, 169751, 133231}, {"", ""}}, 
   {583.2517, 13.87564, "Meta"} -> {{4031261, 3504399, 2885431}, {"", ""}}, 
   {956.396, 13.876835, "Meta"} -> {{89980, 50970, 65873}, {"", ""}}, 
   {676.308, 13.876473, "Meta"} -> {{154974, 150444, 123786}, {"", ""}}, 
   {929.4038, 13.876501, "Meta"} -> {{129223, 110218, 91705}, {"", ""}}, 
   {672.2801, 13.875572, "Meta"} -> {{2314734, 2074131, 1866644}, {"", ""}}, 
   {493.2209, 13.875945, "Meta"} -> {{285052, 281338, 261701}, {"", ""}}, 
   {658.2643, 13.874903, "Meta"} -> {{437999, 403764, 362881}, {"", ""}}, 
   {1151.4832, 13.877482, "Meta"} -> {{45884, 36570, 28191}, {"", ""}}, 
   {961.4299, 13.877784, "Meta"} -> {{34266, 1, 19356}, {"", ""}}, 
   {912.4054, 13.877669, "Meta"} -> {{440878, 379688, 1}, {"", ""}}, 
   {762.3116, 13.876194, "Meta"} -> {{477446, 399429, 319557}, {"", ""}}, 
   {975.4451, 13.8780365, "Meta"} -> {{66247, 58483, 48373}, {"", ""}}, 
   {509.216, 13.87594, "Meta"} -> {{60332, 56985, 59693}, {"", ""}}, 
   {491.2056, 13.876723, "Meta"} -> {{316732, 318789, 298059}, 
     {"Tyr Phe Tyr [ C27 H29 N3 O6, db=65.06, overall=32.53 ]", ""}}, 
   {881.3826, 13.877259, "Meta"} -> {{51877, 47028, 34612}, {"", ""}}, 
   {1193.664, 13.879387, "Meta"} -> {{374796, 382521, 359623}, {"", ""}}, 
   {582.7497, 13.876502, "Meta"} -> {{661260, 514061, 399127}, {"", ""}}, 
   {495.208, 13.876967, "Meta"} -> {{44051, 39273, 34064}, 
     {"Trp Tyr Gln [ C25 H29 N5 O6, db=56.92, overall=28.46 ]", ""}}, 
   {616.2538, 13.877678, "Meta"} -> {{97576, 113256, 98375}, {"", ""}}, 
   {479.205, 13.876445, "Meta"} -> {{95350, 70670, 70011}, 
     {"Nicardipine [ C26 H29 N3 O6, db=70.81, overall=35.41, KEGG ID=C07264, \
CAS ID=55985-32-5 ]", "55985-32-5"}}, {878.365, 13.876516, "Meta"} -> 
    {{18507, 18597, 15846}, {"", ""}}, {567.2211, 13.876649, "Meta"} -> 
    {{195059, 136740, 159490}, {"", ""}}, {644.7861, 13.877095, "Meta"} -> 
    {{29739, 23634, 20577}, {"", ""}}, {461.195, 13.876152, "Meta"} -> 
    {{32149, 28068, 23900}, 
     {"Gln Trp Glu [ C21 H27 N5 O7, db=34.78, overall=17.39 ]", ""}}, 
   {298.1317, 13.878472, "Meta"} -> {{604129, 601974, 448363}, {"", ""}}, 
   {352.1394, 13.880392, "Meta"} -> {{1, 29736, 23318}, 
     {"Asn Tyr Gly [ C15 H20 N4 O6, db=68.82, overall=34.41 ]", ""}}, 
   {284.1158, 13.879252, "Meta"} -> {{334507, 326116, 258930}, {"", ""}}, 
   {477.1898, 13.879307, "Meta"} -> {{190734, 168771, 163516}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=74.18, overall=37.09, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {833.4963, 13.885234, "Meta"} -> 
    {{305681, 218445, 203445}, {"", ""}}, {1045.5562, 13.8920965, "Meta"} -> 
    {{44427, 22420, 67276}, {"", ""}}, {1095.5912, 13.892453, "Meta"} -> 
    {{63006, 38019, 35850}, {"", ""}}, {1048.5735, 13.892926, "Meta"} -> 
    {{85497, 1, 49900}, {"", ""}}, {779.4516, 13.885543, "Meta"} -> 
    {{77698, 111163, 53251}, {"", ""}}, {918.6492, 13.8966, "Meta"} -> 
    {{78859, 565375, 63604}, {"", ""}}, {935.6756, 13.895752, "Meta"} -> 
    {{537883, 497770, 506265}, {"", ""}}, {891.6496, 13.895306, "Meta"} -> 
    {{458763, 367550, 389297}, {"C24 Sulfatide [ C48 H93 N O11 S, db=88.42, \
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   {749.4387, 13.89454, "Meta"} -> {{54412, 1, 1}, {"", ""}}, 
   {830.5967, 13.895909, "Meta"} -> {{337638, 274051, 296033}, {"", ""}}, 
   {847.6232, 13.896607, "Meta"} -> {{250829, 237667, 184083}, {"", ""}}, 
   {979.702, 13.896585, "Meta"} -> {{762534, 574300, 611149}, {"", ""}}, 
   {1050.7274, 13.9000435, "Meta"} -> {{1140924, 1, 866279}, {"", ""}}, 
   {1028.6847, 13.898851, "Meta"} -> {{881374, 858143, 804508}, {"", ""}}, 
   {984.6579, 13.897518, "Meta"} -> {{832612, 27058, 669004}, {"", ""}}, 
   {1023.7278, 13.898656, "Meta"} -> {{849704, 643488, 692201}, {"", ""}}, 
   {962.6753, 13.896331, "Meta"} -> {{108672, 715398, 89088}, {"", ""}}, 
   {803.597, 13.898972, "Meta"} -> {{154149, 131340, 138760}, {"", ""}}, 
   {1006.7014, 13.900152, "Meta"} -> {{96790, 71808, 73744}, {"", ""}}, 
   {1067.7542, 13.901264, "Meta"} -> {{810901, 650407, 709340}, {"", ""}}, 
   {1094.7538, 13.901059, "Meta"} -> {{71892, 737876, 69007}, {"", ""}}, 
   {465.3222, 13.902696, "Meta"} -> {{3563503, 2105552, 2354011}, {"", ""}}, 
   {1138.7803, 13.90453, "Meta"} -> {{82205, 59451, 59111}, {"", ""}}, 
   {478.8288, 13.901231, "Meta"} -> {{45789, 38616, 40373}, {"", ""}}, 
   {996.7292, 13.904589, "Meta"} -> {{75616, 58972, 71330}, 
     {"TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,\
13Z,16Z,19Z))[iso3] [ C67 H96 O6, db=48.00, overall=24.00, Lipid \
ID=LMGL03012576, KEGG ID= ]", ""}}, {1160.7618, 13.905588, "Meta"} -> 
    {{907421, 693904, 693412}, {"", ""}}, {503.2691, 13.903366, "Meta"} -> 
    {{87482, 62180, 62099}, {"", ""}}, {522.8552, 13.904035, "Meta"} -> 
    {{1, 1, 148573}, {"", ""}}, {1001.6842, 13.904192, "Meta"} -> 
    {{128513, 118961, 132983}, {"", ""}}, {511.8639, 13.905617, "Meta"} -> 
    {{45745, 42573, 45636}, {"", ""}}, {544.8687, 13.907429, "Meta"} -> 
    {{213522, 193340, 206515}, {"", ""}}, {489.8508, 13.903928, "Meta"} -> 
    {{26736, 20894, 26748}, {"", ""}}, {1050.6691, 13.904042, "Meta"} -> 
    {{245404, 1, 1}, {"", ""}}, {1040.753, 13.906883, "Meta"} -> 
    {{108507, 119617, 114366}, {"", ""}}, {549.3798, 13.901501, "Meta"} -> 
    {{1598893, 2452942, 2530919}, {"", ""}}, {555.8901, 13.907157, "Meta"} -> 
    {{85610, 1346317, 93373}, {"", ""}}, {1248.8145, 13.916356, "Meta"} -> 
    {{396345, 471689, 1}, {"", ""}}, {591.8776, 13.913758, "Meta"} -> 
    {{96546, 92827, 80385}, {"", ""}}, {591.3753, 13.914109, "Meta"} -> 
    {{189804, 166311, 153574}, {"", ""}}, {1172.8337, 13.914706, "Meta"} -> 
    {{241469, 256638, 317806}, {"", ""}}, {643.9424, 13.918862, "Meta"} -> 
    {{871330, 653395, 688567}, {"", ""}}, {1243.8593, 13.917862, "Meta"} -> 
    {{1343043, 1094595, 1196458}, {"", ""}}, 
   {1216.8606, 13.917243, "Meta"} -> {{401645, 353957, 387892}, {"", ""}}, 
   {1292.8436, 13.918814, "Meta"} -> {{838420, 678999, 1}, {"", ""}}, 
   {482.3011, 13.906962, "Meta"} -> {{136704, 260251, 251653}, {"", ""}}, 
   {1260.8875, 13.921888, "Meta"} -> {{473612, 400065, 468635}, {"", ""}}, 
   {1336.8698, 13.9245, "Meta"} -> {{1, 568364, 581219}, 
     {"Ganglioside GA1 (d18:1/24:1(15Z)) [ C68 H124 N2 O23, db=60.87, \
overall=30.44, HMP ID=HMDB04906, KEGG ID= ]", ""}}, 
   {1304.9122, 13.925807, "Meta"} -> {{1, 380140, 419507}, {"", ""}}, 
   {1309.8685, 13.923631, "Meta"} -> {{717809, 568665, 650375}, {"", ""}}, 
   {1331.9117, 13.925688, "Meta"} -> {{1175572, 977202, 1002407}, {"", ""}}, 
   {1066.7665, 13.906301, "Meta"} -> {{319381, 223627, 223076}, {"", ""}}, 
   {1348.9387, 13.928513, "Meta"} -> {{413776, 403914, 501230}, {"", ""}}, 
   {1380.8955, 13.928842, "Meta"} -> {{586393, 1, 510707}, {"", ""}}, 
   {442.2608, 13.933564, "Meta"} -> {{125955, 116581, 168523}, {"", ""}}, 
   {1375.9377, 13.930394, "Meta"} -> {{985644, 1, 902881}, {"", ""}}, 
   {1392.9644, 13.933, "Meta"} -> {{386803, 334973, 361988}, {"", ""}}, 
   {1424.9208, 13.932688, "Meta"} -> {{1, 431958, 1}, {"", ""}}, 
   {1419.9648, 13.935295, "Meta"} -> {{852524, 739518, 745836}, {"", ""}}, 
   {344.2923, 13.939112, "Meta"} -> {{3640680, 3172376, 4759703}, 
     {"1-heptadecanoyl-rac-glycerol [ C20 H40 O4, db=98.52, overall=49.26, \
KEGG ID=, CAS ID=68002-72-2 ]", "68002-72-2"}}, 
   {1468.948, 13.937098, "Meta"} -> {{411647, 1, 347696}, {"", ""}}, 
   {1436.9904, 13.938028, "Meta"} -> {{379157, 321458, 361742}, {"", ""}}, 
   {1463.9899, 13.9394865, "Meta"} -> {{728493, 62193, 605527}, {"", ""}}, 
   {466.3654, 13.941461, "Meta"} -> {{380936, 1, 1}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=76.50, overall=38.25, \
Lipid ID=LMST01030128, KEGG ID= ]", ""}}, {1481.017, 13.942124, "Meta"} -> 
    {{353662, 307412, 366365}, {"", ""}}, {1508.0137, 13.944414, "Meta"} -> 
    {{65230, 41942, 538857}, {"", ""}}, {222.1615, 13.993, "Meta"} -> 
    {{50513, 51744, 49832}, {"", ""}}, {1529.9991, 13.944249, "Meta"} -> 
    {{468689, 392796, 1}, {"", ""}}, {283.2872, 13.950055, "Meta"} -> 
    {{234923, 256351, 334389}, {"Stearamide [ C18 H37 N O, db=99.52, \
overall=49.76, KEGG ID=, CAS ID=124-26-5 ]", "124-26-5"}}, 
   {1525.0424, 13.947517, "Meta"} -> {{310433, 266013, 280537}, {"", ""}}, 
   {386.1755, 13.956785, "Meta"} -> {{17989, 21099, 1}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=50.71, overall=25.36 ]", ""}}, 
   {1623.0092, 13.9477415, "Meta"} -> {{134236, 1, 117003}, {"", ""}}, 
   {428.2901, 13.938, "Meta"} -> {{169063, 1, 1}, {"(23S,25R)-25-hydroxyvitam\
in D3 26,23-lactone / (23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 \
H40 O4, db=61.60, overall=30.80, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {1618.051, 13.949916, "Meta"} -> {{1, 303346, 292859}, {"", ""}}, 
   {1569.0697, 13.946124, "Meta"} -> {{253728, 218478, 231751}, {"", ""}}, 
   {467.3376, 13.954553, "Meta"} -> {{411279, 325083, 304210}, {"", ""}}, 
   {347.2825, 13.963371, "Meta"} -> {{270204, 290088, 272091}, 
     {"(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide [ C22 \
H37 N O2, db=98.13, overall=49.07, KEGG ID=, CAS ID= ]", ""}}, 
   {330.2557, 13.959749, "Meta"} -> {{489727, 385071, 161342}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=84.17, \
overall=42.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {1662.0767, 13.946449, "Meta"} -> {{21676, 236889, 213399}, {"", ""}}, 
   {510.3319, 13.973654, "Meta"} -> {{80035, 76218, 77289}, 
     {"11-(3-acetoxy-1-propynyl)-1alpha,25-dihydroxy-9,11-didehydrovitamin D3 \
/ 11-(3-acetoxy-1-propynyl)-1 [ C32 H46 O5, db=44.65, overall=22.33, Lipid \
ID=LMST03020511, KEGG ID= ]", ""}}, {452.3502, 13.976595, "Meta"} -> 
    {{127502, 117331, 112780}, {"5beta-Cholestane-3alpha,7alpha,12alpha,25,26\
-pentol [ C27 H48 O5, db=62.10, overall=31.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {1657.1215, 13.958542, "Meta"} -> {{189285, 1, 1}, {"", ""}}, 
   {1750.128, 13.9647875, "Meta"} -> {{147334, 125066, 124495}, {"", ""}}, 
   {220.146, 13.986333, "Meta"} -> {{1, 40490, 96568}, {"", ""}}, 
   {329.2933, 13.898458, "Meta"} -> {{209051, 86879, 246217}, {"", ""}}, 
   {460.3175, 13.9654, "Meta"} -> {{122943, 95153, 1}, 
     {"(24R)-1alpha,24,25,26-tetrahydroxyvitamin D2 / \
(24R)-1alpha,24,25,26-tetrahydroxyergocalciferol [ C28 H44 O5, db=68.24, \
overall=34.12, Lipid ID=LMST03010054, KEGG ID= ]", ""}}, 
   {1745.1743, 13.967287, "Meta"} -> {{122743, 92694, 101011}, {"", ""}}, 
   {1701.1473, 13.966741, "Meta"} -> {{142109, 1, 121547}, {"", ""}}, 
   {402.2765, 13.957289, "Meta"} -> {{26069, 86052, 29651}, 
     {"1alpha-hydroxy-26,27-dinorvitamin D3 25-carboxylic acid / \
1alpha-hydroxy-26,27-dinorcholecalciferol [ C25 H38 O4, db=52.81, \
overall=26.41, Lipid ID=LMST03020025, KEGG ID= ]", ""}}, 
   {440.3505, 13.985816, "Meta"} -> {{414112, 348025, 350393}, {"", ""}}, 
   {484.3164, 13.975783, "Meta"} -> {{215721, 121613, 116946}, {"", ""}}, 
   {653.3246, 13.973182, "Meta"} -> {{44727, 49274, 47553}, {"", ""}}, 
   {334.2482, 13.893001, "Meta"} -> {{609349, 288921, 893914}, 
     {"Tetrahydrodeoxycorticosterone [ C21 H34 O3, db=65.74, overall=32.87, \
HMP ID=HMDB00879, KEGG ID= ]", ""}}, {1319.1475, 13.976606, "Meta"} -> 
    {{20481, 23583, 18315}, {"", ""}}, {386.3394, 13.973793, "Meta"} -> 
    {{182297, 165493, 171415}, {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, \
db=89.09, overall=44.55, KEGG ID=, CAS ID= ]", ""}}, 
   {831.6982, 13.975789, "Meta"} -> {{17947, 25565, 21111}, {"", ""}}, 
   {806.668, 13.976223, "Meta"} -> {{268409, 295109, 244235}, {"", ""}}, 
   {866.6982, 13.981547, "Meta"} -> {{1, 26425, 19894}, {"", ""}}, 
   {354.2087, 13.977749, "Meta"} -> {{426756, 426293, 371047}, {"", ""}}, 
   {224.1773, 13.974033, "Meta"} -> {{15698, 15897, 15949}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=68.79, overall=34.39, \
Lipid ID=, KEGG ID= ]", ""}}, {270.2557, 13.976111, "Meta"} -> 
    {{589134, 570820, 613009}, {"10-methyl-hexadecanoic acid [ C17 H34 O2, \
db=99.62, overall=49.81, Lipid ID=, KEGG ID= ]", ""}}, 
   {1062.9073, 13.976445, "Meta"} -> {{53065, 54440, 45664}, {"", ""}}, 
   {597.4186, 13.975773, "Meta"} -> {{63656, 59144, 59717}, {"", ""}}, 
   {238.2292, 13.975834, "Meta"} -> {{324559, 329088, 296726}, 
     {"cis-11-Hexadecenal [ C16 H30 O, db=98.78, overall=49.39, KEGG ID=, CAS \
ID=53939-28-9 ]", "53939-28-9"}}, {256.2401, 13.976223, "Meta"} -> 
    {{1616566, 1475612, 1350590}, {"2-propyl-tridecanoic acid [ C16 H32 O2, \
db=86.75, overall=43.37, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2322, 13.97861, "Meta"} -> {{203018, 204150, 203853}, {"", ""}}, 
   {386.2337, 13.980557, "Meta"} -> {{1, 20898, 22119}, 
     {"1-tridecanoyl-sn-glycero-3-phosphate [ C16 H37 N O7 P, db=38.62, \
overall=19.31, KEGG ID=, CAS ID= ]", ""}}, {568.3997, 13.977068, "Meta"} -> 
    {{103349, 44926, 1}, {"1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphate \
(ammonium salt) [ C28 H59 N O8 P, db=52.38, overall=26.19, KEGG ID=, CAS ID= \
]", ""}}, {374.1813, 13.978594, "Meta"} -> {{32619, 1, 29766}, 
     {"Glu Asn Leu [ C15 H26 N4 O7, db=57.08, overall=28.54 ]", ""}}, 
   {401.2, 13.978515, "Meta"} -> {{141798, 122737, 99861}, {"", ""}}, 
   {429.2065, 13.981425, "Meta"} -> {{44486, 44320, 54870}, {"", ""}}, 
   {444.2765, 13.977774, "Meta"} -> {{1, 65563, 51672}, {"", ""}}, 
   {610.4531, 13.979807, "Meta"} -> {{206254, 245108, 217533}, {"", ""}}, 
   {897.0775, 13.963102, "Meta"} -> {{64431, 53545, 50252}, {"", ""}}, 
   {420.3661, 13.976656, "Meta"} -> {{31005, 26014, 22966}, {"", ""}}, 
   {294.1873, 13.977543, "Meta"} -> {{44022, 75109, 44495}, 
     {"Sodium tetradecyl sulfate [ C14 H30 O4 S, db=82.16, overall=41.08, \
KEGG ID=, CAS ID=139-88-8 ]", "139-88-8"}}, {556.3739, 13.973735, "Meta"} -> 
    {{331451, 1, 1}, {"", ""}}, {540.3787, 13.981038, "Meta"} -> 
    {{1, 116644, 107239}, {"", ""}}, {500.3862, 13.978946, "Meta"} -> 
    {{135034, 141823, 132680}, {"", ""}}, {1838.1816, 13.978887, "Meta"} -> 
    {{88669, 85869, 65116}, {"", ""}}, {273.2666, 13.976639, "Meta"} -> 
    {{83358, 77328, 76936}, {"C16 Sphinganine [ C16 H35 N O2, db=89.23, \
overall=44.61, Lipid ID=LMSP01040001, KEGG ID= ]", ""}}, 
   {370.2578, 13.982139, "Meta"} -> {{76581, 68752, 48265}, {"", ""}}, 
   {470.3612, 13.984445, "Meta"} -> {{208094, 128920, 181065}, {"", ""}}, 
   {307.287, 13.978666, "Meta"} -> {{356558, 181287, 394428}, {"", ""}}, 
   {369.1855, 13.979225, "Meta"} -> {{53452, 51620, 45930}, {"", ""}}, 
   {520.4126, 13.9819145, "Meta"} -> {{375886, 341549, 311264}, {"", ""}}, 
   {560.4047, 13.986311, "Meta"} -> {{236716, 149775, 1}, {"", ""}}, 
   {685.3513, 13.989969, "Meta"} -> {{30975, 31534, 37312}, {"", ""}}, 
   {600.436, 13.992064, "Meta"} -> {{72419, 75312, 44215}, {"", ""}}, 
   {276.2085, 13.992001, "Meta"} -> {{1, 44281, 36765}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=76.40, overall=38.20, Lipid \
ID=, KEGG ID= ]", ""}}, {294.2182, 13.990687, "Meta"} -> 
    {{50380, 31710, 43822}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, \
db=70.71, overall=35.35, Lipid ID=, KEGG ID= ]", ""}}, 
   {486.3319, 13.971826, "Meta"} -> {{237117, 241170, 1}, {"", ""}}, 
   {1764.1438, 14.027258, "Meta"} -> {{1, 1, 19366}, {"", ""}}, 
   {306.2556, 13.999083, "Meta"} -> {{186833, 394765, 389933}, 
     {"ETrE(11Z, 14Z, 17Z) [ C20 H34 O2, db=67.35, overall=33.67, Lipid \
ID=LMFA01030378, KEGG ID= ]", ""}}, {507.3694, 13.993544, "Meta"} -> 
    {{5353256, 2495301, 2562579}, {"", ""}}, {323.2821, 13.996278, "Meta"} -> 
    {{196890, 157003, 165363}, {"(9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-die\
namide [ C20 H37 N O2, db=99.15, overall=49.57, KEGG ID=, CAS ID= ]", ""}}, 
   {490.3655, 14.002969, "Meta"} -> {{961467, 755658, 282635}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=61.55, \
overall=30.77, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {362.1752, 14.002638, "Meta"} -> {{37612, 43745, 30945}, 
     {"Met Gly Arg [ C13 H26 N6 O4 S, db=56.03, overall=28.02 ]", ""}}, 
   {360.2646, 14.006222, "Meta"} -> {{67258, 53238, 58926}, 
     {"1alpha,23-dihydroxy-24,25,26,27-tetranorvitamin D3 / \
1alpha,23-dihydroxy-24,25,26,27-tetranorcholeca [ C23 H36 O3, db=49.92, \
overall=24.96, Lipid ID=LMST03020020, KEGG ID= ]", ""}}, 
   {627.5055, 14.012999, "Meta"} -> {{31236, 16348, 1}, {"", ""}}, 
   {388.2586, 14.0047655, "Meta"} -> {{29821, 25737, 1}, 
     {"7,12-Dioxo-5beta-cholan-24-oic Acid [ C24 H36 O4, db=55.81, \
overall=27.91, Lipid ID=, KEGG ID= ]", ""}}, {472.3551, 13.985233, "Meta"} -> 
    {{71272, 45204, 108514}, {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehy\
dro-23-oxavitamin D3 / 26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, \
db=61.77, overall=30.89, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {420.3237, 13.996353, "Meta"} -> {{212812, 237465, 81631}, 
     {"1alpha,2alpha,25-trihydroxy-19-norvitamin D3 / \
1alpha,2alpha,25-trihydroxy-19-norcholecalciferolchol [ C26 H44 O4, db=77.07, \
overall=38.53, Lipid ID=LMST03020547, KEGG ID= ]", ""}}, 
   {512.3477, 14.046452, "Meta"} -> {{137120, 135403, 327163}, 
     {"ZK 159222 [ C32 H48 O5, db=50.94, overall=25.47, Lipid \
ID=LMST03020621, KEGG ID= ]", ""}}, {545.3171, 14.010888, "Meta"} -> 
    {{53522, 42199, 24041}, {"", ""}}, {469.2862, 14.021042, "Meta"} -> 
    {{35775, 29496, 30972}, {"", ""}}, {259.2508, 14.031133, "Meta"} -> 
    {{65379, 49040, 55482}, {"", ""}}, {242.2245, 14.033613, "Meta"} -> 
    {{1314924, 877947, 921056}, {"Isopentadecylic acid [ C15 H30 O2, \
db=99.40, overall=49.70, KEGG ID=, CAS ID= ]", ""}}, 
   {295.2873, 14.061223, "Meta"} -> {{467853, 412366, 455483}, {"", ""}}, 
   {408.1761, 14.037353, "Meta"} -> {{862051, 2451738, 150517}, 
     {"Trp Gly Phe [ C22 H24 N4 O4, db=41.37, overall=20.69 ]", ""}}, 
   {298.2508, 14.035623, "Meta"} -> {{84894, 1, 28251}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=71.18, overall=35.59, \
Lipid ID=, KEGG ID= ]", ""}}, {454.3265, 13.978308, "Meta"} -> 
    {{239682, 1, 265015}, {"GPCho(O-7:0/O-7:0) [ C22 H49 N O6 P, db=80.05, \
overall=40.03, Lipid ID=LMGP01040080, KEGG ID= ]", ""}}, 
   {449.3718, 14.041364, "Meta"} -> {{768529, 532504, 921923}, {"", ""}}, 
   {171.108, 14.037002, "Meta"} -> {{1, 313431, 1}, {"", ""}}, 
   {353.3292, 14.065957, "Meta"} -> {{41757, 40741, 40795}, 
     {"(Z)-N-(2-hydroxyethyl)icos-11-enamide [ C22 H43 N O2, db=53.55, \
overall=26.77, KEGG ID=, CAS ID= ]", ""}}, {358.3083, 14.061032, "Meta"} -> 
    {{6022642, 2895840, 8315704}, {"1-octadecanoyl-rac-glycerol [ C21 H42 O4, \
db=91.49, overall=45.75, KEGG ID=, CAS ID= ]", ""}}, 
   {534.3899, 14.062283, "Meta"} -> {{424223, 747302, 720402}, {"", ""}}, 
   {1218.8057, 14.057057, "Meta"} -> {{625891, 470269, 458207}, {"", ""}}, 
   {642.91, 14.060259, "Meta"} -> {{169667, 1, 121972}, {"", ""}}, 
   {1186.8503, 14.059189, "Meta"} -> {{459066, 359212, 445819}, {"", ""}}, 
   {1103.753, 14.057482, "Meta"} -> {{348576, 287322, 269692}, {"", ""}}, 
   {1169.8226, 14.057669, "Meta"} -> {{1436975, 1137965, 1180968}, {"", ""}}, 
   {1262.8317, 14.057412, "Meta"} -> {{523904, 395678, 390356}, 
     {"Ganglioside GM3 (d18:1/24:1(15Z)) [ C65 H118 N2 O21, db=64.86, \
overall=32.43, HMP ID=HMDB04848, KEGG ID= ]", ""}}, 
   {1152.795, 14.05788, "Meta"} -> {{64339, 56030, 31766}, {"", ""}}, 
   {1064.743, 14.0559025, "Meta"} -> {{717803, 492458, 479820}, {"", ""}}, 
   {1213.8492, 14.058307, "Meta"} -> {{1581860, 1237094, 1350657}, {"", ""}}, 
   {1020.7168, 14.055375, "Meta"} -> {{66858, 417467, 49000}, {"", ""}}, 
   {507.8499, 14.0589695, "Meta"} -> {{65975, 49873, 52872}, {"", ""}}, 
   {1125.7968, 14.0580015, "Meta"} -> {{1289236, 1038073, 1098295}, 
     {"", ""}}, {1108.7697, 14.056641, "Meta"} -> {{62681, 42762, 69160}, 
     {"", ""}}, {485.8368, 14.06136, "Meta"} -> {{28462, 20340, 20204}, 
     {"", ""}}, {1230.8765, 14.069205, "Meta"} -> {{570899, 389361, 458883}, 
     {"", ""}}, {1306.8593, 14.060386, "Meta"} -> {{436755, 1, 1}, {"", ""}}, 
   {1318.9282, 14.062551, "Meta"} -> {{661594, 515463, 626193}, {"", ""}}, 
   {1257.8752, 14.0591755, "Meta"} -> {{1585204, 1285862, 1353569}, 
     {"", ""}}, {1037.7437, 14.060363, "Meta"} -> {{613279, 414920, 463787}, 
     {"", ""}}, {1054.7722, 14.059851, "Meta"} -> {{112242, 81926, 109970}, 
     {"", ""}}, {1350.8864, 14.060532, "Meta"} -> {{897818, 292726, 701456}, 
     {"", ""}}, {1362.9545, 14.064612, "Meta"} -> {{660858, 536728, 639226}, 
     {"", ""}}, {1389.9536, 14.06309, "Meta"} -> {{179883, 129276, 147101}, 
     {"", ""}}, {1142.8239, 14.061389, "Meta"} -> {{334682, 280580, 326178}, 
     {"", ""}}, {976.6912, 14.068707, "Meta"} -> {{86567, 64548, 404703}, 
     {"", ""}}, {422.375, 14.068999, "Meta"} -> {{23900, 1, 24137}, 
     {"", ""}}, {993.7174, 14.063914, "Meta"} -> {{440502, 337662, 393053}, 
     {"", ""}}, {1438.9374, 14.065999, "Meta"} -> {{691522, 571861, 174049}, 
     {"", ""}}, {1433.9799, 14.066055, "Meta"} -> {{1198159, 234577, 943591}, 
     {"", ""}}, {949.6916, 14.066196, "Meta"} -> {{313818, 239407, 269168}, 
     {"", ""}}, {1451.0062, 14.068264, "Meta"} -> {{624578, 505540, 576939}, 
     {"", ""}}, {932.6646, 14.065879, "Meta"} -> {{64817, 247061, 261928}, 
     {"", ""}}, {470.2924, 14.073814, "Meta"} -> {{74968, 1, 73610}, 
     {"", ""}}, {905.6649, 14.069608, "Meta"} -> {{223111, 196061, 1}, 
     {"", ""}}, {1522.0323, 14.071529, "Meta"} -> {{881077, 676080, 133654}, 
     {"", ""}}, {888.6409, 14.076768, "Meta"} -> {{1, 99578, 205968}, 
     {"", ""}}, {1482.9642, 14.067459, "Meta"} -> {{183851, 487062, 79472}, 
     {"", ""}}, {1174.7784, 14.05864, "Meta"} -> {{688444, 489288, 780744}, 
     {"", ""}}, {1526.9904, 14.071257, "Meta"} -> {{123421, 384016, 357387}, 
     {"", ""}}, {1495.0323, 14.071646, "Meta"} -> {{547890, 425934, 539960}, 
     {"", ""}}, {861.6387, 14.075389, "Meta"} -> {{87728, 85797, 89250}, 
     {"", ""}}, {405.3454, 14.078472, "Meta"} -> {{269725, 463793, 492631}, 
     {"", ""}}, {316.2402, 14.079582, "Meta"} -> 
    {{4796043, 4027686, 3546976}, {"pregnenolone [ C21 H32 O2, db=98.88, \
overall=49.44, KEGG ID=, CAS ID=1852-38-6 ]", "1852-38-6"}}, 
   {376.2724, 14.080198, "Meta"} -> {{910332, 824253, 771986}, {"", ""}}, 
   {284.2138, 14.07936, "Meta"} -> {{103101, 89989, 76524}, 
     {"11-cis-Retinaldehyde [ C20 H28 O, db=83.12, overall=41.56, HMP \
ID=HMDB02152, KEGG ID= ]", ""}}, {333.2666, 14.079747, "Meta"} -> 
    {{3586750, 3060426, 2921757}, {"", ""}}, {805.0406, 14.07626, "Meta"} -> 
    {{42870, 40444, 40466}, {"", ""}}, {529.4339, 14.081344, "Meta"} -> 
    {{43758, 37926, 47323}, {"", ""}}, {1632.0676, 14.078387, "Meta"} -> 
    {{481110, 441604, 378051}, {"", ""}}, {1583.085, 14.078301, "Meta"} -> 
    {{481545, 384603, 448556}, {"", ""}}, {1627.1108, 14.078733, "Meta"} -> 
    {{342414, 266155, 332688}, {"", ""}}, {1676.0933, 14.06074, "Meta"} -> 
    {{421319, 327082, 47835}, {"", ""}}, {1715.1598, 14.067248, "Meta"} -> 
    {{1, 206047, 208663}, {"", ""}}, {948.6653, 14.082221, "Meta"} -> 
    {{53335, 1, 1}, {"", ""}}, {264.2448, 14.087555, "Meta"} -> 
    {{85104, 67921, 55031}, {"9,12-octadecadienal [ C18 H32 O, db=69.08, \
overall=34.54, Lipid ID=, KEGG ID= ]", ""}}, 
   {1813.1312, 14.077153, "Meta"} -> {{131359, 105438, 90041}, {"", ""}}, 
   {546.5012, 14.088577, "Meta"} -> {{11264, 15093, 12892}, {"", ""}}, 
   {367.1936, 14.089778, "Meta"} -> {{35724, 1, 1}, 
     {"N-Desethylquinagolide [ C18 H29 N3 O3 S, db=63.48, overall=31.74, KEGG \
ID=, CAS ID= ]", ""}}, {602.4589, 14.089057, "Meta"} -> 
    {{306069, 362889, 274030}, {"", ""}}, {1808.1718, 14.068594, "Meta"} -> 
    {{195938, 160118, 32926}, {"", ""}}, {884.7153, 14.088696, "Meta"} -> 
    {{97268, 112797, 77716}, {"", ""}}, {380.2247, 14.088887, "Meta"} -> 
    {{330204, 435383, 361641}, {"", ""}}, {282.2564, 14.088139, "Meta"} -> 
    {{1028954, 2156067, 823816}, {"5-octadecylenic acid [ C18 H34 O2, \
db=98.70, overall=49.35, Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, 
   {486.3322, 14.0887165, "Meta"} -> {{637807, 619430, 567376}, {"", ""}}, 
   {868.7374, 14.088824, "Meta"} -> {{15148, 18854, 12634}, {"", ""}}, 
   {299.2823, 14.088805, "Meta"} -> {{227919, 265755, 228237}, 
     {"3-Dehydrosphinganine [ C18 H37 N O2, db=99.55, overall=49.78, KEGG \
ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {338.1754, 14.0895, "Meta"} -> {{1, 57392, 51665}, 
     {"2,3-Dinor-6,15-diketo-13,14-dihydro-PGF1a [ C18 H26 O6, db=42.53, \
overall=21.26, KEGG ID=, CAS ID= ]", ""}}, {586.4805, 14.089943, "Meta"} -> 
    {{23807, 30973, 23072}, {"3',4'-Dihydrorhodovibrin [ C41 H62 O2, \
db=20.76, overall=10.38, Lipid ID=LMPR01070139, KEGG ID= ]", ""}}, 
   {440.2498, 14.08963, "Meta"} -> {{53029, 60789, 44409}, {"", ""}}, 
   {404.1936, 14.090585, "Meta"} -> {{23651, 22677, 16910}, 
     {"Lys Glu Glu [ C16 H28 N4 O8, db=45.07, overall=22.53 ]", ""}}, 
   {398.202, 14.090389, "Meta"} -> {{74373, 87510, 65505}, 
     {"His Arg Ser [ C15 H26 N8 O5, db=43.07, overall=21.53 ]", ""}}, 
   {395.1929, 14.089863, "Meta"} -> {{113401, 112357, 82411}, {"", ""}}, 
   {1720.1184, 14.061962, "Meta"} -> {{290288, 1, 308756}, {"", ""}}, 
   {434.3862, 14.09189, "Meta"} -> {{61992, 67652, 85702}, {"", ""}}, 
   {320.2035, 14.088819, "Meta"} -> {{48211, 49835, 45956}, {"", ""}}, 
   {357.2667, 14.066502, "Meta"} -> {{67842, 28105, 1}, {"", ""}}, 
   {1803.2148, 14.080516, "Meta"} -> {{131082, 109210, 130253}, {"", ""}}, 
   {1847.2441, 14.088383, "Meta"} -> {{120633, 1, 94348}, {"", ""}}, 
   {1852.1967, 14.0926, "Meta"} -> {{97193, 1, 131395}, {"", ""}}, 
   {1896.2227, 14.094833, "Meta"} -> {{1, 1, 75175}, {"", ""}}, 
   {662.4873, 14.106453, "Meta"} -> {{1, 91420, 81391}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaeno\
yl)-sn-glycerol [ C43 H66 O5, db=68.73, overall=34.37, KEGG ID=, CAS ID= ]", 
      ""}}, {498.3687, 14.089807, "Meta"} -> {{41554, 53814, 1}, 
     {"(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a,24\
b,24c-trihomo-20-epivitamin D3 [ C32 H50 O4, db=49.58, overall=24.79, Lipid \
ID=LMST03020516, KEGG ID= ]", ""}}, {509.3843, 14.0923605, "Meta"} -> 
    {{1.*^7, 5441295, 5725195}, {"", ""}}, {466.3657, 14.105546, "Meta"} -> 
    {{395153, 563638, 221237}, {"6alpha-Hydroxycastasterone [ C28 H50 O5, \
db=82.12, overall=41.06, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {292.2399, 14.107418, "Meta"} -> {{535842, 471496, 377226}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=85.29, overall=42.65, \
HMP ID=HMDB00412, KEGG ID= ]", ""}}, {580.4317, 14.10757, "Meta"} -> 
    {{111248, 73200, 65823}, {"GPCho(O-18:0/4:0) [ C30 H63 N O7 P, db=63.24, \
overall=31.62, Lipid ID=LMGP01020116, KEGG ID= ]", ""}}, 
   {352.2723, 14.1108885, "Meta"} -> {{159562, 162446, 113600}, {"", ""}}, 
   {309.2668, 14.111446, "Meta"} -> {{468635, 460728, 412974}, 
     {"Dicyclomine [ C19 H35 N O2, db=99.35, overall=49.67, KEGG ID=C06951, \
CAS ID=77-19-0 ]", "77-19-0"}}, {222.1617, 14.1038265, "Meta"} -> 
    {{1, 373481, 540195}, {"", ""}}, {960.7672, 14.101361, "Meta"} -> 
    {{145522, 155991, 142932}, {"", ""}}, {499.2963, 14.121678, "Meta"} -> 
    {{89623, 75589, 78176}, {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, \
db=89.57, overall=44.79, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {484.378, 14.105919, "Meta"} -> {{1, 1, 57915}, {"", ""}}, 
   {420.3042, 14.12719, "Meta"} -> {{155102, 245382, 111700}, 
     {"3D,7D,11D-Phytanic acid [ C29 H40 O2, db=55.51, overall=27.76, HMP \
ID=HMDB00417, KEGG ID= ]", ""}}, {696.4838, 14.114749, "Meta"} -> 
    {{16639, 195327, 182764}, {"", ""}}, {514.423, 14.141911, "Meta"} -> 
    {{62491, 1, 58917}, {"", ""}}, {678.511, 14.121193, "Meta"} -> 
    {{278667, 190431, 267159}, {"GPCho(14:0/14:0[U]) [ C36 H73 N O8 P, \
db=73.61, overall=36.81, Lipid ID=LMGP01010478, KEGG ID= ]", ""}}, 
   {895.5533, 14.136167, "Meta"} -> {{58580, 57277, 46976}, {"", ""}}, 
   {422.34, 14.145611, "Meta"} -> {{131964, 347276, 96984}, {"", ""}}, 
   {340.298, 14.148811, "Meta"} -> {{1810648, 1553228, 2006046}, 
     {"20-oxo-heneicosanoic acid [ C21 H40 O3, db=96.35, overall=48.18, Lipid \
ID=, KEGG ID= ]", ""}}, {352.334, 14.145808, "Meta"} -> 
    {{1, 1, 33888}, {"14Z-tricosenoic acid [ C23 H44 O2, db=81.01, \
overall=40.50, Lipid ID=, KEGG ID= ]", ""}}, 
   {1036.8195, 14.135778, "Meta"} -> {{243867, 268417, 316648}, {"", ""}}, 
   {741.6305, 14.144343, "Meta"} -> {{2088019, 1551156, 2528758}, {"", ""}}, 
   {384.3049, 14.142907, "Meta"} -> {{50700, 1, 49302}, {"", ""}}, 
   {403.3659, 14.148665, "Meta"} -> {{333660, 283346, 407541}, {"", ""}}, 
   {772.5821, 14.131801, "Meta"} -> {{49761, 72787, 81972}, 
     {"GPCho(16:0/19:2(9Z,12Z)[U]) [ C43 H83 N O8 P, db=73.13, overall=36.57, \
Lipid ID=LMGP01010610, KEGG ID= ]", ""}}, {764.5958, 14.144802, "Meta"} -> 
    {{201439, 212066, 148696}, {"", ""}}, {1054.792, 14.132248, "Meta"} -> 
    {{156504, 117010, 1}, {"", ""}}, {266.2608, 14.148749, "Meta"} -> 
    {{487474, 429301, 600581}, {"3E,13Z-octadecadien-1-ol [ C18 H34 O, \
db=97.90, overall=48.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {375.3339, 14.148222, "Meta"} -> {{9079274, 7984535, 1.24*^7}, {"", ""}}, 
   {358.3078, 14.148471, "Meta"} -> {{6.76*^7, 5.65*^7, 7.12*^7}, 
     {"1-octadecanoyl-rac-glycerol [ C21 H42 O4, db=98.40, overall=49.20, \
KEGG ID=, CAS ID= ]", ""}}, {418.3406, 14.1476965, "Meta"} -> 
    {{2730463, 2757790, 3354297}, {"1alpha,25-dihydroxy-2alpha-methyl-19-norv\
itamin D3 / 1alpha,25-dihydroxy-2alpha-methyl-19-norcholeca [ C27 H46 O3, \
db=67.02, overall=33.51, Lipid ID=LMST03020553, KEGG ID= ]", ""}}, 
   {639.5801, 14.147194, "Meta"} -> {{91677, 78016, 87787}, {"", ""}}, 
   {1200.9023, 14.160806, "Meta"} -> {{88033, 83658, 88153}, {"", ""}}, 
   {1112.877, 14.148324, "Meta"} -> {{1501552, 1427627, 1740403}, {"", ""}}, 
   {814.5844, 14.151257, "Meta"} -> {{377363, 347551, 459756}, {"", ""}}, 
   {769.529, 14.1481085, "Meta"} -> {{387544, 318784, 373102}, {"", ""}}, 
   {1471.1823, 14.148783, "Meta"} -> {{1261213, 1161055, 1461539}, {"", ""}}, 
   {343.3194, 14.142917, "Meta"} -> {{345636, 343622, 306316}, {"", ""}}, 
   {527.2676, 14.149583, "Meta"} -> {{198056, 197657, 198863}, {"", ""}}, 
   {456.2764, 14.150944, "Meta"} -> {{986077, 967313, 1019732}, {"", ""}}, 
   {480.2429, 14.151414, "Meta"} -> {{57670, 65331, 70234}, {"", ""}}, 
   {389.3503, 14.147706, "Meta"} -> {{164197, 125897, 173123}, {"", ""}}, 
   {424.2965, 14.153561, "Meta"} -> {{35804, 1, 80315}, 
     {"(22E,24E,26E)-1alpha,26b-dihydroxy-22,23,24,25,26,26a-hexadehydro-26a,\
26b-dihomo-27-norvitamin D3 / [ C28 H40 O3, db=44.45, overall=22.22, Lipid \
ID=LMST03020312, KEGG ID= ]", ""}}, {454.3656, 14.155731, "Meta"} -> 
    {{1, 1, 74749}, {"", ""}}, {564.5589, 14.166798, "Meta"} -> 
    {{23762, 44751, 18637}, {"", ""}}, {426.327, 14.133777, "Meta"} -> 
    {{59701, 59871, 30373}, {"", ""}}, {846.402, 14.16888, "Meta"} -> 
    {{99189, 465149, 56675}, {"", ""}}, {934.6778, 14.200471, "Meta"} -> 
    {{60446, 70047, 81406}, {"", ""}}, {466.1108, 14.175235, "Meta"} -> 
    {{181449, 936282, 124943}, {"", ""}}, {285.267, 14.18239, "Meta"} -> 
    {{261604, 209793, 214416}, {"C17 Sphingosine [ C17 H35 N O2, db=93.80, \
overall=46.90, Lipid ID=LMSP01040002, KEGG ID= ]", ""}}, 
   {436.3163, 14.176588, "Meta"} -> {{416544, 585108, 574121}, 
     {"4,4-difluoro-1alpha-hydroxyvitamin D3 / \
4,4-difluoro-1alpha-hydroxycholecalciferol [ C27 H42 F2 O2, db=84.08, \
overall=42.04, Lipid ID=LMST03020138, KEGG ID= ]", ""}}, 
   {268.24, 14.176917, "Meta"} -> {{1789376, 858780, 1047731}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=92.99, overall=46.49, Lipid \
ID=LMFA01030060, KEGG ID= ]", ""}}, {446.3394, 14.189685, "Meta"} -> 
    {{1107593, 291664, 952855}, {"1alpha,25-dihydroxy-11beta-methoxyvitamin \
D3 / 1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, \
db=80.19, overall=40.09, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {398.3198, 14.172886, "Meta"} -> {{1, 1, 1}, {"(22Z)-1beta-hydroxy-22,23-d\
idehydrovitamin D_3 / (22Z)-1beta-hydroxy-22,23-didehydrocholecalciferol [ \
C27 H42 O2, db=77.14, overall=38.57, Lipid ID=LMST03020151, KEGG ID= ]", 
      ""}}, {434.2678, 14.188435, "Meta"} -> {{72671, 72547, 74637}, 
     {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, db=84.90, overall=42.45, \
KEGG ID=, CAS ID=114883-29-3 ]", "114883-29-3"}}, 
   {1364.8975, 14.194389, "Meta"} -> {{243955, 172974, 167674}, 
     {"Ganglioside GA1 (d18:1/26:1(17Z)) [ C70 H128 N2 O23, db=75.48, \
overall=37.74, HMP ID=HMDB04907, KEGG ID= ]", ""}}, 
   {1447.9952, 14.192001, "Meta"} -> {{1129518, 835853, 913296}, {"", ""}}, 
   {1492.0217, 14.194573, "Meta"} -> {{1041146, 189722, 193301}, {"", ""}}, 
   {412.2971, 14.195, "Meta"} -> {{42664, 37345, 1}, 
     {"Calcipotriene [ C27 H40 O3, db=80.60, overall=40.30, KEGG ID=, CAS \
ID=112965-21-6 ]", "112965-21-6"}}, {1496.9803, 14.19325, "Meta"} -> 
    {{537630, 428269, 81725}, {"", ""}}, {1420.9965, 14.197917, "Meta"} -> 
    {{567743, 436658, 631512}, {"", ""}}, {1624.1003, 14.197062, "Meta"} -> 
    {{643417, 64520, 484395}, {"", ""}}, {1817.2332, 14.199793, "Meta"} -> 
    {{175573, 145982, 203681}, {"", ""}}, {1597.101, 14.198148, "Meta"} -> 
    {{455586, 348428, 438501}, {"", ""}}, {1408.9271, 14.194473, "Meta"} -> 
    {{684006, 508109, 446024}, {"", ""}}, {1861.258, 14.196594, "Meta"} -> 
    {{21554, 104024, 172121}, {"", ""}}, {1403.9694, 14.194972, "Meta"} -> 
    {{1166337, 948403, 270608}, {"", ""}}, {1452.9532, 14.194514, "Meta"} -> 
    {{610743, 469843, 407024}, {"", ""}}, {1509.0479, 14.196716, "Meta"} -> 
    {{535414, 422638, 588281}, {"", ""}}, {1465.0219, 14.194402, "Meta"} -> 
    {{580791, 434382, 587401}, {"", ""}}, {1553.0742, 14.197194, "Meta"} -> 
    {{451639, 353482, 492197}, {"", ""}}, {1562.9896, 14.198364, "Meta"} -> 
    {{340574, 1, 222387}, {"", ""}}, {1536.0472, 14.194414, "Meta"} -> 
    {{809836, 634853, 717828}, {"", ""}}, {1376.9705, 14.195032, "Meta"} -> 
    {{555478, 408942, 638900}, {"", ""}}, {1602.0566, 14.198463, "Meta"} -> 
    {{1, 496620, 485085}, {"", ""}}, {1729.1761, 14.185585, "Meta"} -> 
    {{262264, 206103, 262033}, {"", ""}}, {1695.0688, 14.195794, "Meta"} -> 
    {{225921, 1, 154284}, {"", ""}}, {1734.1353, 14.190585, "Meta"} -> 
    {{1, 315353, 1}, {"", ""}}, {1783.1184, 14.192629, "Meta"} -> 
    {{154384, 127459, 101100}, {"", ""}}, {649.9173, 14.20141, "Meta"} -> 
    {{119075, 94302, 68115}, {"", ""}}, {484.2849, 14.207409, "Meta"} -> 
    {{38042, 41226, 20602}, {"GPGro(16:0/0:0)[U] [ C22 H45 O9 P, db=38.98, \
overall=19.49, Lipid ID=LMGP04050002, KEGG ID= ]", ""}}, 
   {1690.1084, 14.19928, "Meta"} -> {{1, 363230, 363814}, {"", ""}}, 
   {1739.0945, 14.198658, "Meta"} -> {{202497, 171321, 128140}, {"", ""}}, 
   {1651.0406, 14.192531, "Meta"} -> {{268869, 241023, 184704}, {"", ""}}, 
   {1641.1263, 14.192625, "Meta"} -> {{400033, 295395, 418811}, {"", ""}}, 
   {1271.8907, 14.198788, "Meta"} -> {{1210793, 374162, 970603}, {"", ""}}, 
   {1773.2079, 14.200658, "Meta"} -> {{237087, 156004, 207824}, {"", ""}}, 
   {1822.1873, 14.202721, "Meta"} -> {{1, 198856, 1}, {"", ""}}, 
   {613.9317, 14.198634, "Meta"} -> {{817861, 1, 672542}, {"", ""}}, 
   {1866.2135, 14.191801, "Meta"} -> {{190519, 138306, 156093}, {"", ""}}, 
   {649.4179, 14.206075, "Meta"} -> {{195408, 31159, 105058}, {"", ""}}, 
   {1276.8481, 14.198558, "Meta"} -> {{372805, 294102, 261920}, {"", ""}}, 
   {1288.9185, 14.196689, "Meta"} -> {{1, 320722, 1}, {"", ""}}, 
   {1871.1737, 14.199768, "Meta"} -> {{1, 83223, 89707}, {"", ""}}, 
   {1232.82, 14.198863, "Meta"} -> {{392039, 286545, 268612}, {"", ""}}, 
   {1827.1462, 14.200866, "Meta"} -> {{143476, 115555, 79907}, {"", ""}}, 
   {1778.1611, 14.200578, "Meta"} -> {{1, 259100, 1}, {"", ""}}, 
   {1244.8917, 14.2033415, "Meta"} -> {{349468, 280226, 416273}, {"", ""}}, 
   {583.7208, 14.204438, "Meta"} -> {{28191, 28870, 31029}, {"", ""}}, 
   {1249.8477, 14.203148, "Meta"} -> {{524808, 1, 466011}, {"", ""}}, 
   {1200.8668, 14.204945, "Meta"} -> {{285690, 185063, 341943}, {"", ""}}, 
   {365.3013, 14.216527, "Meta"} -> {{60085, 106179, 43891}, {"", ""}}, 
   {1188.7935, 14.202201, "Meta"} -> {{596039, 281774, 256690}, {"", ""}}, 
   {605.8921, 14.206543, "Meta"} -> {{1, 60983, 50034}, {"", ""}}, 
   {1183.8381, 14.204194, "Meta"} -> {{985662, 732661, 756382}, {"", ""}}, 
   {1144.769, 14.20787, "Meta"} -> {{334838, 110458, 224006}, {"", ""}}, 
   {424.3908, 14.209613, "Meta"} -> {{43006, 34471, 37270}, {"", ""}}, 
   {554.3656, 14.166631, "Meta"} -> {{30517, 1, 238555}, {"", ""}}, 
   {1156.8387, 14.209628, "Meta"} -> {{129657, 135528, 193271}, {"", ""}}, 
   {1139.8115, 14.206183, "Meta"} -> {{369369, 245265, 369514}, {"", ""}}, 
   {406.3804, 14.209417, "Meta"} -> {{32434, 34249, 38293}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=79.02, \
overall=39.51, Lipid ID=, KEGG ID= ]", ""}}, {440.3857, 14.214, "Meta"} -> 
    {{71716, 191194, 201510}, {"", ""}}, {488.3482, 14.211999, "Meta"} -> 
    {{277802, 1, 138365}, {"", ""}}, {1100.7411, 14.209909, "Meta"} -> 
    {{1, 202286, 192645}, {"", ""}}, {514.4233, 14.214094, "Meta"} -> 
    {{53077, 1, 49454}, {"", ""}}, {1116.779, 14.224416, "Meta"} -> 
    {{1, 477249, 504986}, {"", ""}}, {328.3451, 14.2168, "Meta"} -> 
    {{193624, 283872, 179630}, {"", ""}}, {283.2869, 14.21733, "Meta"} -> 
    {{7974065, 1.43*^7, 5234390}, {"Stearamide [ C18 H37 N O, db=96.78, \
overall=48.39, KEGG ID=, CAS ID=124-26-5 ]", "124-26-5"}}, 
   {431.3039, 14.195275, "Meta"} -> {{84658, 1, 1}, {"", ""}}, 
   {1051.7598, 14.215641, "Meta"} -> {{237500, 188372, 200026}, {"", ""}}, 
   {1095.7856, 14.213828, "Meta"} -> {{399498, 309736, 325175}, {"", ""}}, 
   {1012.6886, 14.219436, "Meta"} -> {{120870, 77600, 67443}, {"", ""}}, 
   {1022.7088, 14.223097, "Meta"} -> {{32842, 33778, 29432}, {"", ""}}, 
   {422.3747, 14.206687, "Meta"} -> {{64579, 23150, 51681}, {"", ""}}, 
   {1007.7326, 14.221612, "Meta"} -> {{162944, 133543, 153747}, {"", ""}}, 
   {518.3967, 14.2736025, "Meta"} -> {{230102, 140818, 1}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=61.50, \
overall=30.75, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {1885.1884, 14.293885, "Meta"} -> {{1, 1, 91955}, {"", ""}}, 
   {325.2996, 14.210102, "Meta"} -> {{1, 11635, 1}, 
     {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, db=43.24, overall=21.62, \
KEGG ID=, CAS ID= ]", ""}}, {612.4955, 14.216895, "Meta"} -> 
    {{134147, 78256, 1}, {"", ""}}, {624.5072, 14.226657, "Meta"} -> 
    {{66111, 189740, 57251}, {"", ""}}, {538.3636, 14.237194, "Meta"} -> 
    {{756213, 1, 172794}, {"", ""}}, {308.2716, 14.231286, "Meta"} -> 
    {{1, 51924, 57677}, {"5,11-Eicosadienoic acid [ C20 H36 O2, db=81.25, \
overall=40.62, Lipid ID=, KEGG ID= ]", ""}}, {278.2241, 14.218176, "Meta"} -> 
    {{1, 101928, 107118}, {"beta-eleostearic acid [ C18 H30 O2, db=83.37, \
overall=41.68, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {963.7065, 14.228668, "Meta"} -> {{81120, 69855, 86468}, {"", ""}}, 
   {369.3356, 14.230916, "Meta"} -> {{438239, 464022, 460831}, {"", ""}}, 
   {309.3033, 14.23247, "Meta"} -> {{2157103, 2127540, 2013448}, {"", ""}}, 
   {538.4231, 14.239277, "Meta"} -> {{645038, 3078740, 621388}, 
     {"GPCho(O-16:0/O-4:0[U]) [ C28 H61 N O6 P, db=76.53, overall=38.26, \
Lipid ID=LMGP01040044, KEGG ID= ]", ""}}, {520.413, 14.242222, "Meta"} -> 
    {{1419562, 1337139, 1381852}, {"", ""}}, {647.3629, 14.24356, "Meta"} -> 
    {{35573, 1, 28132}, {"", ""}}, {591.3425, 14.248113, "Meta"} -> 
    {{1, 40055, 34401}, {"", ""}}, {636.3988, 14.250115, "Meta"} -> 
    {{1, 44397, 1}, {"", ""}}, {1098.8239, 14.252852, "Meta"} -> 
    {{136616, 1, 106222}, {"", ""}}, {594.3456, 14.25331, "Meta"} -> 
    {{57551, 48172, 1}, {"L-Urobilin [ C33 H46 N4 O6, db=35.51, \
overall=17.75, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {256.24, 14.260359, "Meta"} -> {{180098, 116936, 129747}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=78.64, overall=39.32, Lipid \
ID=, KEGG ID= ]", ""}}, {387.3139, 14.260241, "Meta"} -> 
    {{79745, 75168, 115302}, {"", ""}}, {373.2977, 14.262173, "Meta"} -> 
    {{109124, 95212, 106953}, {"Arachidonoylmorpholine [ C24 H39 N O2, \
db=92.07, overall=46.03, Lipid ID=LMFA08020052, KEGG ID= ]", ""}}, 
   {227.1883, 14.25888, "Meta"} -> {{89608, 81162, 79688}, {"", ""}}, 
   {310.2297, 14.267167, "Meta"} -> {{166648, 130605, 151138}, 
     {"Desogestrel [ C22 H30 O, db=87.12, overall=43.56, KEGG ID=, CAS \
ID=54024-22-5 ]", "54024-22-5"}}, {402.2882, 14.268779, "Meta"} -> 
    {{2772386, 1934175, 1317233}, {"", ""}}, {359.2815, 14.267722, "Meta"} -> 
    {{1.43*^7, 1.2*^7, 1.67*^7}, {"", ""}}, {272.1768, 14.267366, "Meta"} -> 
    {{39911, 29067, 32350}, {"5,8,11-octadecatriynoic acid [ C18 H24 O2, \
db=55.08, overall=27.54, Lipid ID=, KEGG ID= ]", ""}}, 
   {390.3498, 14.261562, "Meta"} -> {{27323, 23380, 22630}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=62.19, overall=31.10, \
Lipid ID=, KEGG ID= ]", ""}}, {440.2236, 14.264084, "Meta"} -> 
    {{63837, 56642, 42848}, {"", ""}}, {458.1971, 14.265822, "Meta"} -> 
    {{26026, 23283, 20657}, {"", ""}}, {722.4598, 14.266535, "Meta"} -> 
    {{33618, 32525, 25679}, {"", ""}}, {698.4571, 14.2792225, "Meta"} -> 
    {{36896, 29050, 26123}, {"", ""}}, {1016.7246, 14.284067, "Meta"} -> 
    {{83745, 64768, 37454}, {"", ""}}, {234.1617, 14.2904, "Meta"} -> 
    {{853584, 61473, 71421}, {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-\
9,11-didehydrovitamin D3 / 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, \
db=69.61, overall=34.81, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {416.2236, 14.286627, "Meta"} -> {{63715, 60642, 47573}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=73.66, \
overall=36.83, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {134.1094, 14.287377, "Meta"} -> {{33786, 1, 263127}, 
     {"p-Cymene [ C10 H14, db=86.48, overall=43.24, Lipid ID=LMPR01020045, \
KEGG ID=C06575 ]", ""}}, {349.2979, 14.288562, "Meta"} -> 
    {{96663, 77198, 98263}, {"Anandamide (20:3, n-3) [ C22 H39 N O2, \
db=74.63, overall=37.32, Lipid ID=LMFA08040005, KEGG ID= ]", ""}}, 
   {378.288, 14.29039, "Meta"} -> {{1585636, 1014358, 707541}, {"", ""}}, 
   {1116.8062, 14.30288, "Meta"} -> {{1, 152079, 64745}, {"", ""}}, 
   {286.2294, 14.290941, "Meta"} -> {{515803, 431819, 464942}, 
     {"11-cis-Retinol [ C20 H30 O, db=99.50, overall=49.75, Lipid \
ID=LMPR01090005, KEGG ID=C00899 ]", ""}}, {318.255, 14.292167, "Meta"} -> 
    {{6057668, 1.51*^7, 5277636}, {"Allopregnanolone [ C21 H34 O2, db=64.02, \
overall=32.01, Lipid ID=LMST02030130, KEGG ID= ]", ""}}, 
   {1310.9695, 14.290519, "Meta"} -> {{16721, 18979, 16597}, {"", ""}}, 
   {434.1969, 14.290781, "Meta"} -> {{23682, 20973, 1}, 
     {"Trp Met Val [ C21 H30 N4 O4 S, db=56.25, overall=28.12 ]", ""}}, 
   {335.2815, 14.294109, "Meta"} -> {{9187241, 8143983, 1.11*^7}, {"", ""}}, 
   {468.3816, 14.297306, "Meta"} -> {{2025798, 4229971, 4461368}, {"", ""}}, 
   {1044.7502, 14.296883, "Meta"} -> {{80433, 136398, 48982}, {"", ""}}, 
   {674.4608, 14.296427, "Meta"} -> {{33879, 40756, 25480}, {"", ""}}, 
   {1022.7092, 14.298482, "Meta"} -> {{1, 55394, 1}, {"", ""}}, 
   {1963.3293, 14.298726, "Meta"} -> {{61380, 67220, 77484}, {"", ""}}, 
   {577.3202, 14.3007145, "Meta"} -> {{32603, 36725, 1}, 
     {"dihydro-alpha-ergocryptine [ C32 H43 N5 O5, db=34.25, overall=17.13, \
KEGG ID=, CAS ID= ]", ""}}, {1028.7731, 14.29594, "Meta"} -> 
    {{40305, 36852, 33989}, {"TG(22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z\
)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] [ C69 H104 O6, db=30.37, overall=15.19, \
Lipid ID=LMGL03012602, KEGG ID= ]", ""}}, {468.3218, 14.263261, "Meta"} -> 
    {{1, 338186, 361608}, {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,1\
1-didehydrovitamin D3 / 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=54.09, \
overall=27.05, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {1880.2303, 14.295215, "Meta"} -> {{179136, 128069, 20467}, {"", ""}}, 
   {562.4212, 14.302342, "Meta"} -> {{1, 2514739, 2517192}, {"", ""}}, 
   {952.666, 14.2989645, "Meta"} -> {{1, 31852, 27332}, {"", ""}}, 
   {366.3494, 14.30147, "Meta"} -> {{25895, 24541, 23791}, 
     {"Nervonic acid [ C24 H46 O2, db=79.78, overall=39.89, KEGG ID=, CAS \
ID=506-37-6 ]", "506-37-6"}}, {484.287, 14.291407, "Meta"} -> 
    {{29751, 36187, 23903}, {"", ""}}, {661.7696, 14.304938, "Meta"} -> 
    {{70272, 48357, 59306}, {"", ""}}, {1836.2034, 14.306453, "Meta"} -> 
    {{206267, 197712, 203138}, {"", ""}}, {634.0719, 14.305877, "Meta"} -> 
    {{56033, 46027, 38158}, {"", ""}}, {603.0685, 14.306771, "Meta"} -> 
    {{72725, 64275, 69794}, {"", ""}}, {604.7206, 14.3060255, "Meta"} -> 
    {{55162, 41733, 33643}, {"", ""}}, {1748.1512, 14.302379, "Meta"} -> 
    {{393588, 309816, 278291}, {"", ""}}, {573.7178, 14.306849, "Meta"} -> 
    {{54773, 46795, 47829}, {"", ""}}, {1792.1765, 14.2968, "Meta"} -> 
    {{325365, 251846, 1}, {"", ""}}, {60.0325, 14.311346, "Meta"} -> 
    {{358518, 422973, 1}, {"Urea [ C H4 N2 O, db=87.29, overall=43.65, KEGG \
ID=C00086, CAS ID=57-13-6 ]", "57-13-6"}}, {968.7169, 14.309335, "Meta"} -> 
    {{75538, 75521, 61917}, {"", ""}}, {1787.222, 14.30246, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {559.0424, 14.307241, "Meta"} -> 
    {{1, 1, 48487}, {"", ""}}, {590.0455, 14.306272, "Meta"} -> 
    {{52094, 39840, 30312}, {"", ""}}, {1831.2483, 14.304244, "Meta"} -> 
    {{172501, 137730, 165031}, {"", ""}}, {1743.1947, 14.307287, "Meta"} -> 
    {{260229, 237694, 353052}, {"", ""}}, {647.0946, 14.304667, "Meta"} -> 
    {{79459, 66486, 62478}, {"", ""}}, {1699.1694, 14.298276, "Meta"} -> 
    {{324194, 292234, 1}, {"", ""}}, {630.768, 14.307372, "Meta"} -> 
    {{74375, 1, 85039}, {"", ""}}, {1665.057, 14.310457, "Meta"} -> 
    {{396178, 287124, 236352}, {"", ""}}, {2012.3074, 14.281552, "Meta"} -> 
    {{48790, 53439, 52136}, {"", ""}}, {1924.2563, 14.306934, "Meta"} -> 
    {{127066, 122894, 101885}, {"", ""}}, {1616.0728, 14.3115015, "Meta"} -> 
    {{644653, 516737, 1}, {"", ""}}, {1875.2738, 14.2969675, "Meta"} -> 
    {{116387, 99394, 1}, {"", ""}}, {1550.0645, 14.311656, "Meta"} -> 
    {{813492, 666114, 28214}, {"", ""}}, {648.7473, 14.305516, "Meta"} -> 
    {{57611, 41642, 32636}, {"", ""}}, {1523.0645, 14.315276, "Meta"} -> 
    {{497641, 457241, 1}, {"", ""}}, {1506.0385, 14.314786, "Meta"} -> 
    {{901909, 729902, 73348}, {"", ""}}, {1462.0117, 14.3143835, "Meta"} -> 
    {{972078, 747807, 65220}, {"", ""}}, {298.2506, 14.321658, "Meta"} -> 
    {{1, 211533, 201907}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, \
db=73.00, overall=36.50, Lipid ID=, KEGG ID= ]", ""}}, 
   {650.4595, 14.318721, "Meta"} -> {{23548, 23967, 20060}, {"", ""}}, 
   {1435.0125, 14.319297, "Meta"} -> {{541348, 476012, 761615}, {"", ""}}, 
   {152.1198, 14.325621, "Meta"} -> {{36972, 36187, 30784}, 
     {"Limonene-1,2-epoxide [ C10 H16 O, db=71.21, overall=35.61, Lipid \
ID=LMPR01020046, KEGG ID=C07271 ]", ""}}, {1417.9856, 14.31611, "Meta"} -> 
    {{1017292, 830035, 79792}, {"", ""}}, {596.3593, 14.318885, "Meta"} -> 
    {{76555, 90687, 61777}, {"", ""}}, {1373.9594, 14.321887, "Meta"} -> 
    {{962947, 761912, 759966}, {"", ""}}, {944.712, 14.3222, "Meta"} -> 
    {{97644, 92680, 54630}, {"", ""}}, {196.1459, 14.323223, "Meta"} -> 
    {{29349, 29571, 19435}, {"4-dodecynoic acid [ C12 H20 O2, db=55.50, \
overall=27.75, Lipid ID=, KEGG ID= ]", ""}}, 
   {1329.9312, 14.326601, "Meta"} -> {{177984, 145389, 101158}, {"", ""}}, 
   {1346.9602, 14.32572, "Meta"} -> {{1, 424235, 1}, {"", ""}}, 
   {626.4591, 14.3310995, "Meta"} -> {{255516, 105839, 23670}, {"", ""}}, 
   {244.2189, 14.325999, "Meta"} -> {{143970, 128768, 132848}, {"", ""}}, 
   {325.2979, 14.328285, "Meta"} -> {{70085, 50966, 1}, 
     {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, db=68.35, overall=34.18, \
KEGG ID=, CAS ID= ]", ""}}, {294.2551, 14.3272505, "Meta"} -> 
    {{1.66*^7, 1.35*^7, 1.27*^7}, {"Sterculic acid [ C19 H34 O2, db=82.34, \
overall=41.17, Lipid ID=LMFA01030190, KEGG ID= ]", ""}}, 
   {262.2296, 14.327582, "Meta"} -> {{627096, 536147, 539177}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=81.28, overall=40.64, Lipid \
ID=, KEGG ID= ]", ""}}, {238.1927, 14.326264, "Meta"} -> 
    {{21371, 28624, 29763}, {"3-pentadecynoic acid [ C15 H26 O2, db=57.86, \
overall=28.93, Lipid ID=, KEGG ID= ]", ""}}, {392.2238, 14.332555, "Meta"} -> 
    {{108921, 102302, 78040}, {"6b-Hydroxycortisol [ C22 H32 O6, db=57.81, \
overall=28.91, KEGG ID=, CAS ID=53-35-0 ]", "53-35-0"}}, 
   {1285.907, 14.330352, "Meta"} -> {{802057, 608069, 646477}, {"", ""}}, 
   {198.1614, 14.327666, "Meta"} -> {{47541, 108245, 42189}, 
     {"9-lauroleic acid [ C12 H22 O2, db=55.65, overall=27.83, Lipid \
ID=LMFA01030041, KEGG ID= ]", ""}}, {311.2817, 14.328415, "Meta"} -> 
    {{6660890, 5725646, 7803334}, {"", ""}}, {354.2882, 14.326629, "Meta"} -> 
    {{1593671, 1111504, 791382}, {"", ""}}, {1241.8809, 14.334071, "Meta"} -> 
    {{634011, 483017, 612866}, {"", ""}}, {410.1968, 14.332834, "Meta"} -> 
    {{25906, 26167, 15449}, {"", ""}}, {920.7121, 14.328693, "Meta"} -> 
    {{125247, 111845, 75697}, {"", ""}}, {372.3238, 14.330667, "Meta"} -> 
    {{564955, 392839, 696882}, {"13,14-dihydroxy-docosanoic acid [ C22 H44 \
O4, db=92.68, overall=46.34, Lipid ID=, KEGG ID= ]", ""}}, 
   {1180.7678, 14.332838, "Meta"} -> {{151422, 121324, 81745}, {"", ""}}, 
   {1214.8828, 14.336967, "Meta"} -> {{237291, 158855, 354735}, {"", ""}}, 
   {1258.907, 14.333887, "Meta"} -> {{268074, 215541, 532719}, {"", ""}}, 
   {1170.852, 14.335778, "Meta"} -> {{152502, 182164, 172836}, {"", ""}}, 
   {1197.8549, 14.342236, "Meta"} -> {{538190, 425094, 464136}, {"", ""}}, 
   {1202.8094, 14.343749, "Meta"} -> {{48229, 54982, 33767}, {"", ""}}, 
   {1246.8376, 14.333188, "Meta"} -> {{440588, 315273, 50354}, {"", ""}}, 
   {1070.7347, 14.356584, "Meta"} -> {{47924, 52565, 28536}, {"", ""}}, 
   {587.9054, 14.341818, "Meta"} -> {{1, 105849, 104321}, {"", ""}}, 
   {754.5154, 14.349834, "Meta"} -> {{97369, 56993, 72275}, {"", ""}}, 
   {576.9138, 14.348359, "Meta"} -> {{21757, 1, 1}, {"", ""}}, 
   {442.4017, 14.35682, "Meta"} -> {{249545, 182576, 211548}, {"", ""}}, 
   {424.3913, 14.357807, "Meta"} -> {{73372, 47057, 53628}, {"", ""}}, 
   {406.3808, 14.358058, "Meta"} -> {{54854, 44707, 48230}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=83.65, \
overall=41.82, Lipid ID=, KEGG ID= ]", ""}}, 
   {1109.8003, 14.359261, "Meta"} -> {{82923, 76499, 78337}, {"", ""}}, 
   {880.6371, 14.358142, "Meta"} -> {{18668, 21670, 26975}, {"", ""}}, 
   {854.6613, 14.358676, "Meta"} -> {{46783, 38544, 35794}, {"", ""}}, 
   {802.5359, 14.362123, "Meta"} -> {{3011771, 3080519, 2905139}, {"", ""}}, 
   {390.2761, 14.363417, "Meta"} -> {{8928871, 9409790, 1.04*^7}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=96.27, \
overall=48.13, Lipid ID=, KEGG ID= ]", ""}}, {166.0263, 14.363825, "Meta"} -> 
    {{49508, 54514, 62411}, {"Benzoquinoneacetic acid [ C8 H6 O4, db=86.34, \
overall=43.17, HMP ID=HMDB02334, KEGG ID= ]", ""}}, 
   {506.2177, 14.361897, "Meta"} -> {{16023, 19443, 1}, {"", ""}}, 
   {488.2453, 14.363861, "Meta"} -> {{35378, 40227, 25233}, 
     {"(3a,5b,7a,12a)-3,7-dihydroxy-12-(sulfooxy)cholan-24-oic acid [ C24 H40 \
O8 S, db=80.09, overall=40.05, HMP ID=HMDB02600, KEGG ID= ]", ""}}, 
   {1065.7736, 14.364685, "Meta"} -> {{67865, 67299, 67163}, {"", ""}}, 
   {148.0158, 14.363888, "Meta"} -> {{430561, 445124, 473060}, {"", ""}}, 
   {435.3347, 14.36872, "Meta"} -> {{362965, 614826, 1106459}, {"", ""}}, 
   {260.1407, 14.364168, "Meta"} -> {{24578, 30109, 29351}, {"", ""}}, 
   {510.3212, 14.366528, "Meta"} -> {{166094, 244785, 145417}, 
     {"GPCho(8:0/8:0) [ C24 H49 N O8 P, db=69.20, overall=34.60, Lipid \
ID=LMGP01011251, KEGG ID= ]", ""}}, {421.319, 14.36807, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {278.1517, 14.363973, "Meta"} -> 
    {{153630, 159632, 180046}, {"", ""}}, {56.0626, 14.364111, "Meta"} -> 
    {{148384, 174927, 193133}, {"", ""}}, {559.2364, 14.3670025, "Meta"} -> 
    {{51443, 47343, 36755}, {"", ""}}, {707.5107, 14.365907, "Meta"} -> 
    {{31907, 36584, 34192}, {"", ""}}, {723.5778, 14.369323, "Meta"} -> 
    {{134019, 1, 133009}, {"", ""}}, {472.2919, 14.36994, "Meta"} -> 
    {{35238, 61536, 58476}, {"", ""}}, {612.496, 14.377229, "Meta"} -> 
    {{375138, 245369, 281876}, {"", ""}}, {693.5309, 14.366889, "Meta"} -> 
    {{113153, 120299, 90718}, {"", ""}}, {311.3178, 14.3759985, "Meta"} -> 
    {{810663, 829630, 677344}, {"", ""}}, {242.1879, 14.379251, "Meta"} -> 
    {{80656, 65921, 83047}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
db=85.66, overall=42.83, Lipid ID=, KEGG ID= ]", ""}}, 
   {206.1667, 14.376665, "Meta"} -> {{50865, 40921, 1}, {"", ""}}, 
   {260.1984, 14.38937, "Meta"} -> {{62130, 50706, 68520}, 
     {"3,11-dihydroxy myristoic acid [ C14 H28 O4, db=63.47, overall=31.73, \
Lipid ID=LMFA01050081, KEGG ID= ]", ""}}, {996.7662, 14.379554, "Meta"} -> 
    {{19993, 18357, 14477}, {"", ""}}, {429.2323, 14.385517, "Meta"} -> 
    {{78243, 72210, 48081}, {"", ""}}, {2021.3699, 14.398199, "Meta"} -> 
    {{75164, 57859, 72088}, {"", ""}}, {504.4169, 14.390971, "Meta"} -> 
    {{160176, 65717, 173242}, {"", ""}}, {540.4393, 14.375798, "Meta"} -> 
    {{2193485, 23333, 153636}, {"", ""}}, {890.7617, 14.388518, "Meta"} -> 
    {{159954, 148232, 112989}, {"", ""}}, {298.2869, 14.3915205, "Meta"} -> 
    {{119645, 109611, 124153}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
db=67.14, overall=33.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {397.2157, 14.390834, "Meta"} -> {{1, 34946, 22446}, {"", ""}}, 
   {666.5123, 14.391109, "Meta"} -> {{131680, 124564, 102095}, {"", ""}}, 
   {400.2142, 14.393068, "Meta"} -> {{1, 54496, 46847}, 
     {"Trp Pro Val [ C21 H28 N4 O4, db=30.15, overall=15.08 ]", ""}}, 
   {284.2715, 14.392412, "Meta"} -> {{388962, 120237, 371565}, 
     {"Stearic acid [ C18 H36 O2, db=99.03, overall=49.51, KEGG ID=, CAS \
ID=57-11-4 ]", "57-11-4"}}, {432.2395, 14.391428, "Meta"} -> 
    {{31646, 33042, 23518}, {"", ""}}, {382.2398, 14.392168, "Meta"} -> 
    {{205392, 269141, 215975}, {"", ""}}, {514.3634, 14.388402, "Meta"} -> 
    {{305918, 213548, 240531}, {"", ""}}, {442.2629, 14.3930025, "Meta"} -> 
    {{98788, 97236, 82865}, {"", ""}}, {457.239, 14.3956, "Meta"} -> 
    {{25365, 26354, 20563}, {"", ""}}, {408.3599, 14.406938, "Meta"} -> 
    {{25149, 1, 22094}, {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, \
db=75.02, overall=37.51, Lipid ID=, KEGG ID= ]", ""}}, 
   {1938.2709, 14.402037, "Meta"} -> {{151093, 1, 104144}, {"", ""}}, 
   {250.193, 14.395028, "Meta"} -> {{224202, 111494, 132820}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=73.78, overall=36.89, \
Lipid ID=, KEGG ID= ]", ""}}, {301.2979, 14.39117, "Meta"} -> 
    {{36032, 39997, 64662}, {"Dihydrosphingosine [ C18 H39 N O2, db=85.23, \
overall=42.62, KEGG ID=C00836, CAS ID=764-22-7 ]", "764-22-7"}}, 
   {522.4279, 14.397862, "Meta"} -> {{306686, 261546, 304247}, {"", ""}}, 
   {1933.3156, 14.403201, "Meta"} -> {{149432, 1, 1}, {"", ""}}, 
   {416.2903, 14.408222, "Meta"} -> {{95134, 69790, 61545}, 
     {"(24R,25S)-25,26-epoxy-1alpha,24-dihydroxy-27-norvitamin D3 / \
(24R,25S)-25,26-epoxy-1alpha,24-dihydro [ C26 H40 O4, db=47.47, \
overall=23.74, Lipid ID=LMST03020037, KEGG ID= ]", ""}}, 
   {566.3937, 14.392841, "Meta"} -> {{91480, 195280, 1}, {"", ""}}, 
   {474.37, 14.399874, "Meta"} -> {{81538, 1, 89777}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=85.87, \
overall=42.94, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {612.4365, 14.406086, "Meta"} -> {{749924, 582914, 492299}, {"", ""}}, 
   {470.3972, 14.407165, "Meta"} -> {{59931, 1, 66262}, {"", ""}}, 
   {1850.2188, 14.408482, "Meta"} -> {{237989, 1, 163558}, {"", ""}}, 
   {566.4545, 14.401355, "Meta"} -> {{194853, 624299, 1115889}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=61.55, overall=30.77, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {443.3973, 14.4052, "Meta"} -> 
    {{119178, 114860, 179933}, {"", ""}}, {681.1175, 14.41128, "Meta"} -> 
    {{46995, 32489, 31447}, {"", ""}}, {1899.2042, 14.408434, "Meta"} -> 
    {{142732, 85925, 57688}, {"", ""}}, {1943.2288, 14.400298, "Meta"} -> 
    {{92912, 75371, 54291}, {"", ""}}, {664.7895, 14.409922, "Meta"} -> 
    {{17370, 1, 65272}, {"", ""}}, {448.3536, 14.37326, "Meta"} -> 
    {{508550, 1, 292252}, {"Teasterone [ C28 H48 O4, db=51.26, overall=25.63, \
Lipid ID=LMST01030121, KEGG ID= ]", ""}}, {1806.1923, 14.411065, "Meta"} -> 
    {{289618, 216766, 1}, {"", ""}}, {486.4034, 14.407399, "Meta"} -> 
    {{32090, 35305, 26957}, {"1alpha,25-dihydroxy-2beta-pentylvitamin D3 / \
1alpha,25-dihydroxy-2beta-pentylcholecalciferol [ C32 H54 O3, db=34.55, \
overall=17.27, Lipid ID=LMST03020520, KEGG ID= ]", ""}}, 
   {1855.1772, 14.401386, "Meta"} -> {{1, 108542, 80085}, {"", ""}}, 
   {651.7665, 14.412334, "Meta"} -> {{58596, 35970, 48495}, {"", ""}}, 
   {593.0646, 14.419587, "Meta"} -> {{39025, 32996, 36160}, {"", ""}}, 
   {370.3077, 14.410557, "Meta"} -> {{1.17*^7, 1.34*^7, 7829602}, 
     {"Docosanedioic acid [ C22 H42 O4, db=97.13, overall=48.56, Lipid \
ID=LMFA01170037, KEGG ID= ]", ""}}, {404.3647, 14.4150305, "Meta"} -> 
    {{111997, 78253, 93584}, {"5beta-Cholestane-3alpha,7alpha-diol [ C27 H48 \
O2, db=79.14, overall=39.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {1757.2117, 14.41254, "Meta"} -> {{276220, 1, 1}, {"", ""}}, 
   {1801.2352, 14.410735, "Meta"} -> {{242125, 222137, 1}, {"", ""}}, 
   {1811.1512, 14.408364, "Meta"} -> {{163301, 107486, 92492}, {"", ""}}, 
   {1762.1667, 14.414145, "Meta"} -> {{317878, 1, 1}, {"", ""}}, 
   {390.3488, 14.408688, "Meta"} -> {{1, 81852, 89808}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=54.78, overall=27.39, \
Lipid ID=, KEGG ID= ]", ""}}, {583.4808, 14.395259, "Meta"} -> 
    {{24636, 36189, 89744}, {"", ""}}, {637.0912, 14.41594, "Meta"} -> 
    {{57869, 48493, 47564}, {"", ""}}, {511.4232, 14.415657, "Meta"} -> 
    {{118148, 87732, 157298}, {"", ""}}, {387.335, 14.411082, "Meta"} -> 
    {{817704, 817371, 744948}, {"", ""}}, {470.097, 14.418974, "Meta"} -> 
    {{1.27*^7, 1.53*^7, 7252653}, {"", ""}}, {493.0873, 14.415969, "Meta"} -> 
    {{60989, 81198, 44921}, {"", ""}}, {1723.0979, 14.419501, "Meta"} -> 
    {{1, 155547, 104943}, {"", ""}}, {1625.133, 14.422751, "Meta"} -> 
    {{397971, 316715, 1}, {"", ""}}, {1630.0883, 14.423135, "Meta"} -> 
    {{438207, 344534, 1}, {"", ""}}, {1635.048, 14.425599, "Meta"} -> 
    {{1, 1, 116344}, {"", ""}}, {1586.0623, 14.426733, "Meta"} -> 
    {{513842, 389391, 1}, {"", ""}}, {447.2265, 14.425441, "Meta"} -> 
    {{55561, 168617, 30094}, 
     {"Ser Arg Trp [ C20 H29 N7 O5, db=50.01, overall=25.00 ]", ""}}, 
   {1581.1057, 14.426365, "Meta"} -> {{400778, 333982, 1}, {"", ""}}, 
   {404.3037, 14.428638, "Meta"} -> {{818446, 590327, 335614}, {"", ""}}, 
   {1542.0363, 14.429039, "Meta"} -> {{494201, 374037, 1}, {"", ""}}, 
   {375.3134, 14.427285, "Meta"} -> {{1, 31047, 68080}, 
     {"N-(1,1-dimethyl-2-hydroxy-ethyl) arachidonoyl amine [ C24 H41 N O2, \
db=81.75, overall=40.88, Lipid ID=LMFA08020019, KEGG ID= ]", ""}}, 
   {1591.0197, 14.430484, "Meta"} -> {{288375, 195315, 112803}, {"", ""}}, 
   {361.2974, 14.432083, "Meta"} -> {{6437860, 4609442, 7345562}, 
     {"N-methyl N-(2-hydroxy-ethyl) arachidonoyl amine [ C23 H39 N O2, \
db=97.58, overall=48.79, Lipid ID=LMFA08020025, KEGG ID= ]", ""}}, 
   {344.2712, 14.433056, "Meta"} -> {{1458505, 4730956, 1079210}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=99.04, \
overall=49.52, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {1546.9941, 14.433572, "Meta"} -> {{271861, 201065, 148882}, {"", ""}}, 
   {1476.0247, 14.427167, "Meta"} -> {{69639, 426150, 1}, {"", ""}}, 
   {506.4327, 14.461076, "Meta"} -> {{43475, 37743, 1}, {"", ""}}, 
   {1502.967, 14.438209, "Meta"} -> {{249322, 187070, 1}, {"", ""}}, 
   {420.3577, 14.4446125, "Meta"} -> {{141833, 102143, 104981}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=65.27, \
overall=32.64, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {1387.9729, 14.434806, "Meta"} -> {{478292, 365245, 18940}, {"", ""}}, 
   {1493.0544, 14.434714, "Meta"} -> {{384022, 342649, 1}, {"", ""}}, 
   {511.2607, 14.419092, "Meta"} -> {{35145, 27190, 58667}, {"", ""}}, 
   {1449.0283, 14.43929, "Meta"} -> {{357582, 311983, 505834}, {"", ""}}, 
   {380.3653, 14.448362, "Meta"} -> {{184278, 150656, 161472}, 
     {"17Z-pentacosenoic acid [ C25 H48 O2, db=96.33, overall=48.17, Lipid \
ID=, KEGG ID= ]", ""}}, {1405.001, 14.443967, "Meta"} -> 
    {{297322, 264356, 1}, {"CL(1'-[16:0/18:1(11Z)],3'-[16:0/18:1(11Z)]) [ C77 \
H146 O17 P2, db=86.52, overall=43.26, Lipid ID=LMGP12010006, KEGG ID= ]", 
      ""}}, {1321.905, 14.456001, "Meta"} -> {{263087, 195914, 1}, {"", ""}}, 
   {1316.9497, 14.455285, "Meta"} -> {{199520, 1, 1}, {"", ""}}, 
   {438.3322, 14.440999, "Meta"} -> {{1, 1, 1}, {"27-nor-5b-cholestane-3a,7a,\
12a,24,25-pentol [ C26 H46 O5, db=78.36, overall=39.18, HMP ID=HMDB02126, \
KEGG ID= ]", ""}}, {1277.8792, 14.461234, "Meta"} -> 
    {{165409, 146084, 150395}, {"", ""}}, {1118.9772, 14.463029, "Meta"} -> 
    {{85407, 80214, 68249}, {"", ""}}, {636.9634, 14.461871, "Meta"} -> 
    {{55019, 41082, 73205}, {"", ""}}, {848.7128, 14.462386, "Meta"} -> 
    {{31762, 23452, 25416}, {"", ""}}, {1238.8083, 14.467372, "Meta"} -> 
    {{74749, 64172, 50687}, {"", ""}}, {270.2551, 14.466167, "Meta"} -> 
    {{2.15*^7, 1.68*^7, 1.62*^7}, {"10-methyl-hexadecanoic acid [ C17 H34 O2, \
db=94.77, overall=47.38, Lipid ID=, KEGG ID= ]", ""}}, 
   {287.2824, 14.466778, "Meta"} -> {{1886858, 1486815, 2029534}, 
     {"C17 Sphinganine [ C17 H37 N O2, db=99.39, overall=49.69, Lipid \
ID=LMSP01040003, KEGG ID= ]", ""}}, {400.334, 14.474161, "Meta"} -> 
    {{435917, 486851, 482694}, {"(5E)-1alpha-hydroxy-3-epivitamin D_3 / \
(5E)-1alpha-hydroxy-3-epicholecalciferol [ C27 H44 O2, db=88.78, \
overall=44.39, Lipid ID=LMST03020234, KEGG ID= ]", ""}}, 
   {1194.7839, 14.473861, "Meta"} -> {{34061, 28162, 19795}, {"", ""}}, 
   {1168.9875, 14.479252, "Meta"} -> {{18914, 22052, 1}, {"", ""}}, 
   {330.2883, 14.466946, "Meta"} -> {{378805, 299644, 222325}, {"", ""}}, 
   {320.2708, 14.478832, "Meta"} -> {{1.2*^7, 8375381, 7884355}, 
     {"3a,20b-Pregnanediol [ C21 H36 O2, db=92.32, overall=46.16, HMP \
ID=HMDB02156, KEGG ID= ]", ""}}, {684.1372, 14.495041, "Meta"} -> 
    {{26074, 60181, 52505}, {"", ""}}, {418.2392, 14.489999, "Meta"} -> 
    {{1, 18875, 15534}, 
     {"Met Arg Leu [ C17 H34 N6 O4 S, db=55.58, overall=27.79 ]", ""}}, 
   {337.2972, 14.478779, "Meta"} -> {{8438353, 6249517, 8216753}, {"", ""}}, 
   {948.7409, 14.486519, "Meta"} -> {{92202, 1, 1}, {"", ""}}, 
   {288.2448, 14.4851265, "Meta"} -> {{84849, 63257, 68095}, 
     {"8-[5]-ladderane-1-octanol [ C20 H32 O, db=62.66, overall=31.33, Lipid \
ID=, KEGG ID= ]", ""}}, {380.3036, 14.478943, "Meta"} -> 
    {{883001, 598757, 378159}, {"", ""}}, {351.3139, 14.491401, "Meta"} -> 
    {{29803, 50103, 74261}, {"Anandamide (20:2, n-6) [ C22 H41 N O2, \
db=69.92, overall=34.96, Lipid ID=LMFA08040002, KEGG ID= ]", ""}}, 
   {1124.8135, 14.482899, "Meta"} -> {{43433, 77202, 1}, {"", ""}}, 
   {654.7867, 14.500103, "Meta"} -> {{71639, 42371, 67137}, {"", ""}}, 
   {671.1134, 14.4969425, "Meta"} -> {{52967, 48357, 44848}, {"", ""}}, 
   {645.3889, 14.488171, "Meta"} -> {{80706, 88964, 52984}, {"", ""}}, 
   {426.2745, 14.497218, "Meta"} -> {{180370, 91101, 1}, 
     {"(23S)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone [ C27 H38 \
O4, db=63.52, overall=31.76, Lipid ID=LMST03020599, KEGG ID= ]", ""}}, 
   {685.7893, 14.4935665, "Meta"} -> {{64663, 52029, 35309}, {"", ""}}, 
   {1947.3323, 14.498856, "Meta"} -> {{115628, 82280, 90805}, {"", ""}}, 
   {1996.3118, 14.491321, "Meta"} -> {{123540, 79751, 17512}, {"", ""}}, 
   {641.7627, 14.502058, "Meta"} -> {{55441, 48236, 39068}, {"", ""}}, 
   {636.4919, 14.474574, "Meta"} -> {{301568, 246537, 278274}, {"", ""}}, 
   {2040.3385, 14.493648, "Meta"} -> {{1, 74521, 65604}, {"", ""}}, 
   {627.0879, 14.50506, "Meta"} -> {{49042, 39004, 40704}, {"", ""}}, 
   {1991.3583, 14.495925, "Meta"} -> {{91660, 71005, 1}, {"", ""}}, 
   {494.3971, 14.493335, "Meta"} -> {{205903, 188089, 185557}, {"", ""}}, 
   {592.4704, 14.502999, "Meta"} -> {{970588, 2374142, 850931}, {"", ""}}, 
   {919.681, 14.505394, "Meta"} -> {{116746, 51241, 90075}, {"", ""}}, 
   {807.8639, 14.509769, "Meta"} -> {{1, 39200, 33612}, {"", ""}}, 
   {1903.3048, 14.502486, "Meta"} -> {{131582, 96592, 1}, {"", ""}}, 
   {793.1883, 14.512266, "Meta"} -> {{36151, 36275, 18193}, {"", ""}}, 
   {1952.2863, 14.502277, "Meta"} -> {{131927, 92719, 97255}, {"", ""}}, 
   {1869.194, 14.502086, "Meta"} -> {{1, 87957, 64718}, {"", ""}}, 
   {1908.2607, 14.504808, "Meta"} -> {{172210, 107739, 1}, {"", ""}}, 
   {1820.2089, 14.511034, "Meta"} -> {{215916, 161209, 161078}, {"", ""}}, 
   {963.707, 14.513001, "Meta"} -> {{103585, 43240, 78437}, {"", ""}}, 
   {1781.1418, 14.511568, "Meta"} -> {{86575, 83594, 79228}, {"", ""}}, 
   {1776.1823, 14.514804, "Meta"} -> {{247205, 169027, 1}, {"", ""}}, 
   {386.3397, 14.511031, "Meta"} -> {{1093088, 842417, 1180772}, 
     {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=96.95, overall=48.47, KEGG \
ID=, CAS ID= ]", ""}}, {1815.2509, 14.512214, "Meta"} -> 
    {{191406, 136462, 177637}, {"", ""}}, {252.2088, 14.522425, "Meta"} -> 
    {{27420, 21571, 23771}, {"2E,4E-hexadecadienoic acid [ C16 H28 O2, \
db=60.20, overall=30.10, Lipid ID=, KEGG ID= ]", ""}}, 
   {1771.2264, 14.515609, "Meta"} -> {{192118, 148726, 1}, {"", ""}}, 
   {294.2194, 14.478001, "Meta"} -> {{59519, 28642, 1}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=80.00, overall=40.00, \
Lipid ID=, KEGG ID= ]", ""}}, {546.4281, 14.479806, "Meta"} -> 
    {{195129, 115254, 110245}, {"", ""}}, {749.1626, 14.516725, "Meta"} -> 
    {{34536, 41929, 33571}, {"", ""}}, {596.4413, 14.516907, "Meta"} -> 
    {{193198, 148666, 197315}, {"", ""}}, {278.2243, 14.527305, "Meta"} -> 
    {{322835, 282016, 605764}, {"beta-eleostearic acid [ C18 H30 O2, \
db=62.70, overall=31.35, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {763.8373, 14.514566, "Meta"} -> {{50138, 28826, 43371}, {"", ""}}, 
   {276.2084, 14.51291, "Meta"} -> {{37349, 38375, 16161}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=79.59, overall=39.79, Lipid \
ID=, KEGG ID= ]", ""}}, {1222.882, 14.507078, "Meta"} -> 
    {{55061, 49351, 40452}, {"", ""}}, {1693.0908, 14.519001, "Meta"} -> 
    {{151533, 1, 80749}, {"", ""}}, {1683.1736, 14.522961, "Meta"} -> 
    {{1, 1, 276209}, {"", ""}}, {576.4755, 14.530964, "Meta"} -> 
    {{1, 615684, 1}, {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-gly\
cerol [ C36 H64 O5, db=81.99, overall=40.99, KEGG ID=, CAS ID= ]", ""}}, 
   {1112.8135, 14.532041, "Meta"} -> {{144116, 63715, 110994}, {"", ""}}, 
   {1551.0957, 14.537624, "Meta"} -> {{1, 210780, 1}, {"", ""}}, 
   {1507.0687, 14.543251, "Meta"} -> {{221613, 185318, 236611}, {"", ""}}, 
   {1463.0459, 14.548631, "Meta"} -> {{1, 156242, 196658}, {"", ""}}, 
   {412.2124, 14.560958, "Meta"} -> {{1, 15233, 16145}, {"", ""}}, 
   {264.2448, 14.558638, "Meta"} -> {{142783, 94542, 90127}, 
     {"9,12-octadecadienal [ C18 H32 O, db=90.59, overall=45.30, Lipid ID=, \
KEGG ID= ]", ""}}, {296.2707, 14.557776, "Meta"} -> 
    {{5893744, 9432720, 8163471}, {"10-methylene-octadecanoic acid [ C19 H36 \
O2, db=84.40, overall=42.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {394.2399, 14.56191, "Meta"} -> {{80113, 67174, 49981}, {"", ""}}, 
   {356.3036, 14.558113, "Meta"} -> {{320649, 327562, 290065}, {"", ""}}, 
   {313.2974, 14.558834, "Meta"} -> {{4651214, 3555518, 3388728}, 
     {"N-(2-hydroxyethyl)heptadecanamide [ C19 H39 N O2, db=99.60, \
overall=49.80, KEGG ID=, CAS ID= ]", ""}}, {327.3145, 14.5584135, "Meta"} -> 
    {{23657, 19820, 20946}, {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, \
db=63.74, overall=31.87, KEGG ID=, CAS ID= ]", ""}}, 
   {496.4124, 14.55775, "Meta"} -> {{69736, 92875, 47503}, {"", ""}}, 
   {1330.9644, 14.569345, "Meta"} -> {{127936, 65861, 1}, {"", ""}}, 
   {1224.9006, 14.558654, "Meta"} -> {{70226, 87111, 70259}, {"", ""}}, 
   {719.8112, 14.559839, "Meta"} -> {{17965, 1, 21757}, {"", ""}}, 
   {323.3189, 14.573417, "Meta"} -> {{613033, 1461703, 424068}, {"", ""}}, 
   {2054.3523, 14.574896, "Meta"} -> {{1, 54487, 56737}, {"", ""}}, 
   {563.4318, 14.564408, "Meta"} -> {{1680997, 955930, 1077829}, {"", ""}}, 
   {827.2118, 14.585125, "Meta"} -> {{1, 24466, 1}, {"", ""}}, 
   {387.3137, 14.578861, "Meta"} -> {{174166, 113996, 109501}, {"", ""}}, 
   {1128.8441, 14.582754, "Meta"} -> {{58080, 38729, 31915}, {"", ""}}, 
   {180.1507, 14.5836115, "Meta"} -> {{34171, 1, 35326}, 
     {"3,6,8-dodecatrien-1-ol [ C12 H20 O, db=70.80, overall=35.40, Lipid \
ID=, KEGG ID= ]", ""}}, {435.3027, 14.588826, "Meta"} -> 
    {{113192, 193067, 164512}, {"", ""}}, {394.3806, 14.587612, "Meta"} -> 
    {{116480, 96802, 90832}, {"Ximenic acid [ C26 H50 O2, db=85.28, \
overall=42.64, Lipid ID=LMFA01030095, KEGG ID= ]", ""}}, 
   {337.3338, 14.585556, "Meta"} -> {{1.62*^7, 3.29*^7, 1.86*^7}, {"", ""}}, 
   {198.1615, 14.583165, "Meta"} -> {{160137, 124019, 112640}, 
     {"9-lauroleic acid [ C12 H22 O2, db=95.30, overall=47.65, Lipid \
ID=LMFA01030041, KEGG ID= ]", ""}}, {457.3779, 14.587459, "Meta"} -> 
    {{95288, 164025, 116130}, {"", ""}}, {397.3668, 14.5889435, "Meta"} -> 
    {{856448, 1730940, 1247887}, {"", ""}}, {518.3949, 14.583486, "Meta"} -> 
    {{350753, 436022, 332055}, {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)\
vitamin D3 / 1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, \
db=54.02, overall=27.01, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {382.3923, 14.588941, "Meta"} -> {{252766, 605687, 433324}, {"", ""}}, 
   {618.6064, 14.58071, "Meta"} -> {{90797, 238321, 125051}, {"", ""}}, 
   {2010.329, 14.5813465, "Meta"} -> {{1, 63113, 1}, {"", ""}}, 
   {749.5934, 14.587584, "Meta"} -> {{103041, 186569, 449670}, {"", ""}}, 
   {434.3736, 14.585371, "Meta"} -> {{65915, 81226, 59349}, 
     {"6-deoxoteasterone [ C28 H50 O3, db=57.43, overall=28.72, Lipid \
ID=LMST01030120, KEGG ID= ]", ""}}, {368.3762, 14.587169, "Meta"} -> 
    {{66981, 150037, 96679}, {"", ""}}, {675.7857, 14.585401, "Meta"} -> 
    {{47484, 1, 1}, {"", ""}}, {570.4849, 14.596359, "Meta"} -> 
    {{53991, 45805, 46142}, {"Dihydrospheroidene/ Methoxyneurosporene [ C41 \
H62 O, db=48.91, overall=24.45, Lipid ID=LMPR01070149, KEGG ID= ]", ""}}, 
   {646.5057, 14.597443, "Meta"} -> {{4822789, 3831914, 3648613}, {"", ""}}, 
   {777.6257, 14.593777, "Meta"} -> {{2549436, 1124832, 3084713}, {"", ""}}, 
   {1878.251, 14.597361, "Meta"} -> {{1, 94731, 1}, {"", ""}}, 
   {1873.2964, 14.601121, "Meta"} -> {{130548, 85239, 1}, {"", ""}}, 
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   {587.268, 14.647654, "Meta"} -> {{142591, 34750, 160240}, {"", ""}}, 
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     {"5beta-Cholestane-3alpha,7alpha-diol [ C27 H48 O2, db=61.38, \
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   {1228.9321, 14.649517, "Meta"} -> {{256607, 295772, 274896}, {"", ""}}, 
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     {"Dihydrosphingosine [ C18 H39 N O2, db=96.01, overall=48.00, KEGG \
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O3, db=85.11, overall=42.55, KEGG ID=, CAS ID=230976-85-9 ]", 
      "230976-85-9"}}, {504.4172, 14.684583, "Meta"} -> 
    {{124947, 102474, 125879}, {"", ""}}, {572.4439, 14.696446, "Meta"} -> 
    {{57176, 207125, 65279}, {"", ""}}, {420.3589, 14.700999, "Meta"} -> 
    {{32251, 38434, 20138}, {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, \
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     {"18-methyl-5Z,9Z-eicosadienoic acid [ C21 H38 O2, db=89.79, \
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    {{105608, 161372, 89096}, {"", ""}}, {710.4678, 14.679098, "Meta"} -> 
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    {{110673, 1, 97760}, {"", ""}}, {1931.3354, 14.685877, "Meta"} -> 
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    {{1, 74640, 1}, {"", ""}}, {652.4213, 14.713416, "Meta"} -> 
    {{359492, 1, 308880}, {"", ""}}, {316.2608, 14.722626, "Meta"} -> 
    {{696887, 650956, 535890}, {"7,8-dihydroxy stearic acid [ C18 H36 O4, \
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   {618.4829, 14.717896, "Meta"} -> {{8913135, 9948097, 7658877}, {"", ""}}, 
   {464.3117, 14.712481, "Meta"} -> {{8570, 14888, 1}, 
     {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic \
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   {627.543, 14.723062, "Meta"} -> {{40525, 48137, 39750}, {"", ""}}, 
   {298.2502, 14.720165, "Meta"} -> {{1892997, 3141951, 2726659}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=96.33, overall=48.16, \
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    {{660141, 586040, 407648}, {"24-Nor-5beta-cholane-3alpha,7alpha,23-triol \
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   {787.8574, 14.717876, "Meta"} -> {{1, 28981, 1}, {"", ""}}, 
   {1248.9193, 14.717847, "Meta"} -> {{87698, 96850, 61209}, {"", ""}}, 
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    {{2201372, 2282052, 1682718}, {"13E,17-octadecadienoic acid [ C18 H32 O2, \
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   {641.5592, 14.724205, "Meta"} -> {{87515, 173933, 91350}, {"", ""}}, 
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   {548.4439, 14.7357, "Meta"} -> {{103130, 266683, 1}, {"", ""}}, 
   {660.5212, 14.728284, "Meta"} -> {{2162648, 1967164, 1982253}, {"", ""}}, 
   {327.314, 14.733674, "Meta"} -> {{59970, 51461, 44179}, 
     {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, db=66.95, overall=33.47, \
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    {{98060, 71029, 59408}, {"trans-gondoic acid [ C20 H38 O2, db=60.53, \
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   {583.4811, 14.737029, "Meta"} -> {{81571, 79619, 60399}, {"", ""}}, 
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     {"1-(9Z,12Z-heptadecadienoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero\
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   {389.3293, 14.748772, "Meta"} -> {{532633, 405744, 334753}, 
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     {"", ""}}, {574.4596, 14.754307, "Meta"} -> 
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    {{41024, 35031, 34851}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
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     {"1alpha-hydroxy-24-methylvitamin D2 / \
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    {{1427086, 1021513, 1194976}, {"", ""}}, {298.2872, 14.814419, "Meta"} -> 
    {{1.01*^7, 7786022, 7999169}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
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   {1010.7714, 14.841031, "Meta"} -> {{245440, 238382, 269509}, {"", ""}}, 
   {861.6182, 14.853371, "Meta"} -> {{247509, 236484, 295581}, 
     {"Galabiosylceramide (d18:1/16:0) [ C46 H87 N O13, db=96.56, \
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   {339.3499, 14.845642, "Meta"} -> {{87775, 101401, 222848}, 
     {"Docosanamide [ C22 H45 N O, db=95.67, overall=47.83, HMP ID=HMDB00583, \
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    {{1, 268226, 1}, {"", ""}}, {656.5257, 14.851055, "Meta"} -> 
    {{134117, 128326, 115922}, {"", ""}}, {1246.9775, 14.836859, "Meta"} -> 
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     {"Bis-[2-lyso-3-arachidonoyl-sn-glycerol]-1-phosphate [ C44 H71 O10 P, \
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   {787.4786, 14.851057, "Meta"} -> {{117756, 127819, 119901}, {"", ""}}, 
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     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
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    {{647366, 263012, 298685}, {"", ""}}, {341.3288, 14.878036, "Meta"} -> 
    {{103363, 69132, 61124}, {"", ""}}, {324.3027, 14.878835, "Meta"} -> 
    {{155991, 122757, 125135}, {"2-propyl-9Z-octadecenoic Acid [ C21 H40 O2, \
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   {1299.0092, 14.927766, "Meta"} -> {{355277, 511038, 345446}, {"", ""}}, 
   {1454.0242, 14.914153, "Meta"} -> {{219841, 1, 188916}, {"", ""}}, 
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   {700.5531, 14.915303, "Meta"} -> {{7.69*^7, 7.32*^7, 7.47*^7}, {"", ""}}, 
   {798.5251, 14.918499, "Meta"} -> {{342157, 351566, 402392}, {"", ""}}, 
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   {1457.028, 14.91376, "Meta"} -> {{228283, 1, 190399}, {"", ""}}, 
   {682.5412, 14.914805, "Meta"} -> {{100830, 98744, 111177}, {"", ""}}, 
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   {753.4737, 14.916138, "Meta"} -> {{212095, 221777, 206030}, {"", ""}}, 
   {914.7343, 14.930177, "Meta"} -> {{94431, 72129, 70447}, 
     {"TG(17:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] [ C60 H98 \
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   {428.3655, 14.930514, "Meta"} -> {{1, 1452614, 1412032}, 
     {"25-hydroxy-26,27-dimethylvitamin D3 / \
25-hydroxy-26,27-dimethylcholecalciferol [ C29 H48 O2, db=98.81, \
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   {858.6343, 14.935901, "Meta"} -> {{25083, 26039, 19290}, {"", ""}}, 
   {491.4338, 14.930941, "Meta"} -> {{136537, 96272, 89062}, {"", ""}}, 
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     {"1alpha,25-dihydroxy-26,27-dimethyl-22,22,23,23-tetradehydro-24a,24b-di\
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    {{81195, 59873, 56750}, {"", ""}}, {576.4755, 14.971321, "Meta"} -> 
    {{148497, 1, 1}, {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-gly\
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   {1427.0582, 14.953704, "Meta"} -> {{319832, 1, 339496}, {"", ""}}, 
   {1287.0085, 14.963088, "Meta"} -> {{252023, 271363, 346266}, {"", ""}}, 
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   {688.5515, 14.964059, "Meta"} -> {{2.19*^7, 2.26*^7, 2.34*^7}, 
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    {{416158, 483531, 486132}, {"", ""}}, {509.4806, 14.9780655, "Meta"} -> 
    {{101946, 58878, 63304}, {"Cer(d18:1/14:0) [ C32 H63 N O3, db=92.56, \
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   {430.1711, 14.9816675, "Meta"} -> {{59968, 67232, 78262}, {"", ""}}, 
   {430.3446, 14.98436, "Meta"} -> {{641744, 599015, 631456}, 
     {"2beta-methyl-1alpha,25-dihydroxyvitamin D_3 / \
2beta-methyl-1alpha,25-dihydroxycholecalciferol [ C28 H46 O3, db=95.57, \
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   {500.3479, 14.986893, "Meta"} -> {{62526, 54913, 56547}, {"", ""}}, 
   {415.3571, 14.983973, "Meta"} -> {{1598967, 1394084, 1410702}, {"", ""}}, 
   {529.303, 14.984667, "Meta"} -> {{14261, 13103, 12401}, {"", ""}}, 
   {415.3084, 14.981182, "Meta"} -> {{94976, 78181, 81393}, {"", ""}}, 
   {848.9196, 14.9934225, "Meta"} -> {{38105, 1, 1}, {"", ""}}, 
   {726.5681, 14.998588, "Meta"} -> {{5284062, 4801889, 4487070}, {"", ""}}, 
   {764.5152, 14.999655, "Meta"} -> {{105627, 122554, 106920}, {"", ""}}, 
   {444.3601, 15.005182, "Meta"} -> {{105178, 111736, 110348}, 
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    {{541930, 465562, 815422}, {"", ""}}, {646.4517, 15.798346, "Meta"} -> 
    {{87556, 21428, 37849}, {"GPA(14:0/18:1(9Z)) [ C35 H67 O8 P, db=53.75, \
overall=26.87, Lipid ID=LMGP10010019, KEGG ID= ]", ""}}, 
   {629.6106, 15.80247, "Meta"} -> {{109158, 95886, 109128}, {"", ""}}, 
   {647.6218, 15.803638, "Meta"} -> {{656280, 504969, 636464}, 
     {"Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, db=94.85, overall=47.43, \
HMP ID=HMDB04953, KEGG ID= ]", ""}}, {618.52, 15.807126, "Meta"} -> 
    {{1, 1, 1}, {"1-octadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol \
[ C39 H70 O5, db=91.14, overall=45.57, KEGG ID=, CAS ID= ]", ""}}, 
   {800.6776, 15.794722, "Meta"} -> {{2017383, 2082523, 2109723}, {"", ""}}, 
   {613.5643, 15.813304, "Meta"} -> {{750398, 607638, 1154897}, {"", ""}}, 
   {720.5875, 15.822541, "Meta"} -> {{1, 70542, 149014}, 
     {"GPCho(O-16:0/16:0) [ C40 H83 N O7 P, db=74.12, overall=37.06, Lipid \
ID=LMGP01020029, KEGG ID= ]", ""}}, {863.6402, 15.794833, "Meta"} -> 
    {{685175, 677553, 855603}, {"", ""}}, {661.637, 15.824202, "Meta"} -> 
    {{73921, 65883, 44725}, {"", ""}}, {813.6251, 15.798603, "Meta"} -> 
    {{7380528, 6338605, 8312426}, {"", ""}}, {847.6456, 15.813998, "Meta"} -> 
    {{5253828, 4221073, 3909338}, {"", ""}}, {551.4249, 15.827079, "Meta"} -> 
    {{29294, 24404, 20317}, {"", ""}}, {797.6297, 15.801678, "Meta"} -> 
    {{4567932, 1, 3399787}, {"", ""}}, {661.4929, 15.831914, "Meta"} -> 
    {{54838, 50370, 42086}, {"", ""}}, {605.6104, 15.850416, "Meta"} -> 
    {{263632, 214112, 179881}, {"", ""}}, {834.2323, 15.869839, "Meta"} -> 
    {{40627, 47223, 52021}, {"", ""}}, {831.2332, 15.870869, "Meta"} -> 
    {{85106, 121523, 126342}, {"", ""}}, {627.5816, 15.898941, "Meta"} -> 
    {{1, 73044, 143770}, {"", ""}}, {631.6267, 15.875499, "Meta"} -> 
    {{293441, 234383, 264771}, {"", ""}}, {592.5431, 15.88767, "Meta"} -> 
    {{68215, 52218, 104069}, {"", ""}}, {801.6253, 15.848322, "Meta"} -> 
    {{704931, 875169, 728927}, {"GPEtn(22:1(13Z)/18:0)[U] [ C45 H88 N O8 P, \
db=86.54, overall=43.27, Lipid ID=LMGP02010033, KEGG ID= ]", ""}}, 
   {632.5355, 15.902878, "Meta"} -> {{121016, 97637, 170857}, 
     {"1-(9Z-heptadecenoyl)-2-(11Z,14Z-eicosadienoyl)-sn-glycerol [ C40 H72 \
O5, db=87.97, overall=43.98, KEGG ID=, CAS ID= ]", ""}}, 
   {839.6394, 15.8606, "Meta"} -> {{1055319, 967292, 753673}, {"", ""}}, 
   {814.6932, 15.912194, "Meta"} -> {{4373533, 4044653, 4199470}, {"", ""}}, 
   {852.6397, 15.911029, "Meta"} -> {{172918, 159596, 151453}, {"", ""}}, 
   {773.63, 15.906822, "Meta"} -> {{2435223, 1887955, 2163790}, {"", ""}}, 
   {823.6456, 15.917723, "Meta"} -> {{1.*^7, 6375674, 7977958}, {"", ""}}, 
   {649.6372, 15.946309, "Meta"} -> {{448474, 349228, 341165}, 
     {"N-Lignoceroylsphingosine [ C42 H83 N O3, db=98.89, overall=49.44, HMP \
ID=HMDB00831, KEGG ID= ]", ""}}, {861.593, 15.911041, "Meta"} -> 
    {{166113, 142138, 148263}, {"", ""}}, {849.6617, 15.960544, "Meta"} -> 
    {{1, 8811387, 1.01*^7}, {"", ""}}, {606.5589, 16.002474, "Meta"} -> 
    {{1288741, 1147141, 1905097}, {"", ""}}, {887.608, 15.950258, "Meta"} -> 
    {{197268, 203389, 190782}, {"", ""}}, {646.5512, 16.021963, "Meta"} -> 
    {{2301713, 1, 3667712}, {"1-(9Z-octadecenoyl)-2-(11Z,14Z-eicosadienoyl)-s\
n-glycerol [ C41 H74 O5, db=90.48, overall=45.24, KEGG ID=, CAS ID= ]", ""}}, 
   {669.6274, 16.021229, "Meta"} -> {{232906, 269645, 453663}, {"", ""}}, 
   {663.653, 16.021738, "Meta"} -> {{79451, 63622, 72836}, 
     {"Ceramide (d18:1/25:0) [ C43 H85 N O3, db=93.46, overall=46.73, HMP \
ID=HMDB04957, KEGG ID= ]", ""}}, {580.3012, 15.999072, "Meta"} -> 
    {{1, 95850, 92166}, {"", ""}}, {641.5965, 16.03561, "Meta"} -> 
    {{1833169, 1681159, 2852058}, {"", ""}}, {633.6424, 16.0732, "Meta"} -> 
    {{371376, 500241, 352199}, {"", ""}}, {875.6776, 16.05178, "Meta"} -> 
    {{9569182, 8518211, 7248218}, {"", ""}}, {877.6932, 16.229668, "Meta"} -> 
    {{1.41*^7, 1.13*^7, 1.37*^7}, {"", ""}}, {903.7076, 16.322107, "Meta"} -> 
    {{2452871, 1844230, 2317752}, {"", ""}}, 
   {958.9559, 0.36646155, "Meta"} -> {{32788, 1, 29672}, {"", ""}}, 
   {2422.0625, 0.37100002, "Meta"} -> {{31886, 25528, 27996}, {"", ""}}, 
   {1742.01, 0.37975758, "Meta"} -> {{40183, 30179, 34126}, {"", ""}}, 
   {1578.0028, 0.38074994, "Meta"} -> {{45918, 41111, 43926}, {"", ""}}, 
   {1988.023, 0.37995836, "Meta"} -> {{25597, 23755, 1}, {"", ""}}, 
   {1824.0161, 0.38057694, "Meta"} -> {{32838, 34211, 29412}, {"", ""}}, 
   {547.9159, 0.39203572, "Meta"} -> {{155878, 1, 1}, {"", ""}}, 
   {721.7918, 0.40096295, "Meta"} -> {{68636, 69319, 1}, {"", ""}}, 
   {557.7853, 0.40799993, "Meta"} -> {{151534, 151446, 161367}, {"", ""}}, 
   {791.6165, 0.41215378, "Meta"} -> {{19133, 18598, 17157}, {"", ""}}, 
   {633.7165, 0.41170967, "Meta"} -> {{23204, 15459, 34031}, {"", ""}}, 
   {252.1202, 0.45106667, "Meta"} -> {{92143, 81978, 83425}, 
     {"Pro His [ C11 H16 N4 O3, db=76.47, overall=38.23 ]", ""}}, 
   {246.1942, 0.46209374, "Meta"} -> {{100077, 68592, 71154}, {"", ""}}, 
   {278.1842, 0.46203128, "Meta"} -> {{58386, 51670, 52867}, {"", ""}}, 
   {304.1997, 0.46772003, "Meta"} -> {{35117, 28650, 32898}, {"", ""}}, 
   {218.1628, 0.46839395, "Meta"} -> {{73030, 64999, 65414}, {"", ""}}, 
   {274.1643, 0.46503848, "Meta"} -> {{29505, 29678, 32352}, 
     {"Ala Gly Lys [ C11 H22 N4 O4, db=47.47, overall=23.74 ]", ""}}, 
   {380.0201, 0.5091111, "Meta"} -> {{37053, 333605, 338855}, {"", ""}}, 
   {352.0515, 0.53367996, "Meta"} -> {{68296, 51958, 1}, {"", ""}}, 
   {135.068, 0.55345714, "Meta"} -> {{341233, 299723, 209763}, 
     {"2-Phenylacetamide [ C8 H9 N O, db=85.97, overall=42.98, KEGG \
ID=C02505, CAS ID=103-81-1 ]", "103-81-1"}}, {281.1835, 0.605074, "Meta"} -> 
    {{150106, 1, 121057}, {"", ""}}, {115.0629, 0.69411117, "Meta"} -> 
    {{60193, 1, 124523}, {"Proline [ C5 H9 N O2, db=79.13, overall=39.57, \
KEGG ID=C00148, CAS ID=147-85-3 ]", "147-85-3"}}, 
   {131.0587, 0.6995, "Meta"} -> {{139158, 135585, 1}, 
     {"Trans-4-Hydroxy-L-proline [ C5 H9 N O3, db=60.12, overall=30.06, KEGG \
ID=, CAS ID=51-35-4 ]", "51-35-4"}}, {526.0667, 0.66112, "Meta"} -> 
    {{38468, 25950, 28379}, {"", ""}}, {380.0206, 0.6642414, "Meta"} -> 
    {{61810, 279082, 293640}, {"", ""}}, {306.0645, 0.74877775, "Meta"} -> 
    {{49800, 51148, 1}, {"", ""}}, {382.1085, 0.74347997, "Meta"} -> 
    {{44731, 32099, 44416}, {"", ""}}, {345.1429, 0.8536799, "Meta"} -> 
    {{68755, 1, 60741}, {"", ""}}, {138.0291, 0.95441395, "Meta"} -> 
    {{39712, 29240, 67928}, {"", ""}}, {172.0702, 0.99353826, "Meta"} -> 
    {{2.66*^7, 1, 2.21*^7}, {"", ""}}, {167.1155, 1.0165, "Meta"} -> 
    {{425592, 524200, 592981}, {"", ""}}, {374.102, 1.0232002, "Meta"} -> 
    {{94238, 100142, 91409}, {"", ""}}, {143.0731, 1.2776923, "Meta"} -> 
    {{519638, 414437, 1}, {"", ""}}, {145.0524, 1.2775834, "Meta"} -> 
    {{853243, 1, 707492}, {"Isoquinoline N-oxide [ C9 H7 N O, db=90.43, \
overall=45.21, KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, 
   {219.1104, 1.44356, "Meta"} -> {{59900, 56642, 52542}, 
     {"Pantothenic Acid [ C9 H17 N O5, db=54.47, overall=27.23, KEGG ID=, CAS \
ID=137-08-6 ]", "137-08-6"}}, {309.1688, 3.743654, "Meta"} -> 
    {{86010, 60872, 55015}, 
     {"Pro Pro Pro [ C15 H23 N3 O4, db=83.74, overall=41.87 ]", ""}}, 
   {579.254, 6.318081, "Meta"} -> {{71982, 82147, 84124}, 
     {"2-[[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-Ethane\
sulfonic acid [ C26 H45 N O9 S2, db=83.71, overall=41.85, HMP ID=HMDB02449, \
KEGG ID= ]", ""}}, {419.4932, 6.474, "Meta"} -> {{23116, 24527, 22159}, 
     {"", ""}}, {723.3073, 6.4805007, "Meta"} -> {{34126, 33616, 37172}, 
     {"", ""}}, {420.8636, 6.645, "Meta"} -> {{57629, 55435, 57496}, 
     {"", ""}}, {414.1035, 7.120406, "Meta"} -> {{26507, 26336, 25475}, 
     {"", ""}}, {1517.675, 7.538903, "Meta"} -> {{62313, 52955, 61084}, 
     {"", ""}}, {1106.4865, 7.75332, "Meta"} -> {{113772, 148757, 138768}, 
     {"", ""}}, {427.849, 7.8510604, "Meta"} -> {{80622, 76213, 65926}, 
     {"", ""}}, {239.9882, 8.1396, "Meta"} -> {{252771, 105215, 1}, 
     {"", ""}}, {313.2252, 8.670879, "Meta"} -> {{53177, 44425, 37820}, 
     {"", ""}}, {465.1866, 8.675655, "Meta"} -> {{63668, 68538, 76965}, 
     {"Biotripyrrin-b [ C25 H27 N3 O6, db=43.66, overall=21.83, HMP \
ID=HMDB03324, KEGG ID= ]", ""}}, {602.3041, 9.497844, "Meta"} -> 
    {{25807, 24984, 26145}, {"", ""}}, {559.2988, 9.497002, "Meta"} -> 
    {{26724, 23507, 22671}, {"", ""}}, {263.127, 9.515958, "Meta"} -> 
    {{41599, 35796, 35016}, {"", ""}}, {420.2259, 9.685075, "Meta"} -> 
    {{41408, 34109, 32140}, 
     {"His His Lys [ C18 H28 N8 O4, db=54.50, overall=27.25 ]", ""}}, 
   {240.1338, 9.749299, "Meta"} -> {{59474, 52482, 70779}, {"", ""}}, 
   {176.0454, 9.963879, "Meta"} -> {{33963, 1, 36155}, {"", ""}}, 
   {533.1125, 10.0555, "Meta"} -> {{87404, 60975, 54352}, 
     {"Indomethacin glucuronide [ C25 H24 Cl N O10, db=40.58, overall=20.29, \
KEGG ID=, CAS ID=75523-11-4 ]", "75523-11-4"}}, 
   {593.1437, 10.055286, "Meta"} -> {{75984, 59484, 50760}, {"", ""}}, 
   {536.1192, 10.055125, "Meta"} -> {{40047, 33659, 21594}, {"", ""}}, 
   {335.1544, 10.10977, "Meta"} -> {{25487, 23924, 1}, 
     {"Cys Leu Thr [ C13 H25 N3 O5 S, db=37.55, overall=18.77 ]", ""}}, 
   {630.2684, 10.324069, "Meta"} -> {{74127, 56279, 50927}, {"", ""}}, 
   {219.129, 10.36744, "Meta"} -> {{233372, 98344, 161207}, {"", ""}}, 
   {250.1198, 10.418655, "Meta"} -> {{28826, 19059, 37793}, 
     {"Ubiquinone [ C14 H18 O4, db=60.72, overall=30.36, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {302.184, 10.730654, "Meta"} -> 
    {{45994, 40055, 26225}, {"", ""}}, {323.228, 10.9723625, "Meta"} -> 
    {{708161, 780355, 246648}, {"", ""}}, {171.162, 11.016933, "Meta"} -> 
    {{54378, 45312, 39473}, {"", ""}}, {564.3483, 11.143167, "Meta"} -> 
    {{81401, 62009, 57098}, {"", ""}}, {273.0832, 11.159881, "Meta"} -> 
    {{108196, 32919, 1}, {"", ""}}, {503.2805, 11.289723, "Meta"} -> 
    {{18488, 1, 25870}, {"", ""}}, {396.1934, 11.289607, "Meta"} -> 
    {{37047, 1, 34561}, {"Pregnenolone sulfate [ C21 H32 O5 S, db=58.26, \
overall=29.13, HMP ID=HMDB00774, KEGG ID= ]", ""}}, 
   {475.2532, 11.290502, "Meta"} -> {{53911, 51908, 62766}, {"", ""}}, 
   {632.2486, 11.370108, "Meta"} -> {{33145, 31062, 109056}, {"", ""}}, 
   {580.226, 11.39536, "Meta"} -> {{25890, 17933, 19571}, {"", ""}}, 
   {456.167, 11.397059, "Meta"} -> {{39733, 35263, 34694}, {"", ""}}, 
   {395.3032, 11.612541, "Meta"} -> {{35750, 38802, 39303}, {"", ""}}, 
   {360.3347, 11.940929, "Meta"} -> {{17003, 17931, 18987}, {"", ""}}, 
   {171.1081, 11.943874, "Meta"} -> {{257184, 474558, 169321}, {"", ""}}, 
   {396.2831, 12.028556, "Meta"} -> {{265757, 37270, 1}, {"", ""}}, 
   {313.2616, 12.047375, "Meta"} -> {{246645, 266880, 264878}, {"", ""}}, 
   {842.5207, 12.128361, "Meta"} -> {{50212, 37335, 43542}, 
     {"Spiramycin 1 [ C43 H74 N2 O14, db=60.72, overall=30.36, KEGG \
ID=C01754, CAS ID=24916-50-5 ]", "24916-50-5"}}, 
   {604.1137, 12.167592, "Meta"} -> {{16568, 18636, 10300}, {"", ""}}, 
   {381.9989, 12.185469, "Meta"} -> {{32500, 36112, 22050}, {"", ""}}, 
   {572.2186, 12.2466, "Meta"} -> {{20959, 1, 1}, {"", ""}}, 
   {396.1641, 12.277833, "Meta"} -> {{105492, 30155, 27580}, 
     {"Asn Tyr Thr [ C17 H24 N4 O7, db=61.81, overall=30.90 ]", ""}}, 
   {254.0726, 12.292558, "Meta"} -> {{70346, 73829, 25844}, 
     {"Acetaminophen-cysteine [ C11 H14 N2 O3 S, db=76.73, overall=38.36, \
KEGG ID=, CAS ID=64014-06-8 ]", "64014-06-8"}}, 
   {322.1171, 12.32875, "Meta"} -> {{25934, 31062, 1}, {"", ""}}, 
   {614.4236, 12.339584, "Meta"} -> {{127165, 78791, 99566}, {"", ""}}, 
   {323.2098, 12.388596, "Meta"} -> {{81943, 154032, 124633}, 
     {"Betaxolol(hydroxylation) [ C18 H29 N O4, db=71.49, overall=35.74, KEGG \
ID=, CAS ID=87549-35-7 ]", "87549-35-7"}}, {618.251, 12.430832, "Meta"} -> 
    {{49354, 1, 44101}, {"", ""}}, {438.3565, 12.462166, "Meta"} -> 
    {{48153, 33471, 33352}, {"", ""}}, {724.4581, 12.46508, "Meta"} -> 
    {{67631, 33804, 43433}, {"", ""}}, {336.228, 12.510321, "Meta"} -> 
    {{100079, 1, 85511}, {"15-epi-PGA1 [ C20 H32 O4, db=70.01, overall=35.01, \
Lipid ID=LMFA03010047, KEGG ID= ]", ""}}, {431.3032, 12.516041, "Meta"} -> 
    {{632451, 479974, 473241}, {"", ""}}, {339.2776, 12.558571, "Meta"} -> 
    {{62136, 1, 61700}, {"", ""}}, {359.2849, 12.620791, "Meta"} -> 
    {{185209, 138006, 135053}, {"", ""}}, {1120.5815, 12.721594, "Meta"} -> 
    {{35478, 19303, 21121}, {"", ""}}, {360.0762, 12.647442, "Meta"} -> 
    {{12855, 16094, 15231}, {"", ""}}, {870.5521, 12.68296, "Meta"} -> 
    {{64676, 51691, 51100}, {"", ""}}, {594.374, 12.7149315, "Meta"} -> 
    {{36721, 1, 1}, {"7,8-Didehydroastaxanthin [ C40 H50 O4, db=74.93, \
overall=37.46, Lipid ID=LMPR01070051, KEGG ID= ]", ""}}, 
   {909.6228, 12.728479, "Meta"} -> {{38222, 27091, 33702}, {"", ""}}, 
   {372.2657, 12.741412, "Meta"} -> {{59986, 59252, 61058}, 
     {"(22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid [ C24 H36 O3, db=63.76, \
overall=31.88, Lipid ID=, KEGG ID= ]", ""}}, {354.3241, 12.753935, "Meta"} -> 
    {{15705, 41478, 38900}, {"", ""}}, {633.4446, 12.767465, "Meta"} -> 
    {{41658, 44598, 46164}, {"", ""}}, {638.4002, 12.7673855, "Meta"} -> 
    {{40680, 1, 41469}, {"", ""}}, {546.238, 12.80944, "Meta"} -> 
    {{94855, 64731, 61008}, {"", ""}}, {430.2145, 12.858498, "Meta"} -> 
    {{33672, 33617, 39749}, {"", ""}}, {381.2643, 12.864834, "Meta"} -> 
    {{100026, 112568, 98896}, {"Sphinganine 1-phosphate [ C18 H40 N O5 P, \
db=61.19, overall=30.59, KEGG ID=C01120, CAS ID=19794-97-9 ]", 
      "19794-97-9"}}, {598.4292, 12.9028635, "Meta"} -> 
    {{107676, 99289, 516707}, {"", ""}}, {914.5791, 12.90653, "Meta"} -> 
    {{60899, 45661, 46707}, {"", ""}}, {909.6228, 12.903775, "Meta"} -> 
    {{54252, 48931, 50555}, {"", ""}}, {262.1504, 12.906483, "Meta"} -> 
    {{27735, 41633, 22267}, {"", ""}}, {1613.9202, 12.9604435, "Meta"} -> 
    {{27493, 18077, 45237}, {"", ""}}, {519.8025, 12.93093, "Meta"} -> 
    {{87248, 97856, 90983}, {"", ""}}, {982.6032, 12.922208, "Meta"} -> 
    {{102261, 88599, 95675}, {"", ""}}, {1024.6497, 12.9421835, "Meta"} -> 
    {{1538880, 639373, 582578}, {"", ""}}, {1148.6115, 12.963801, "Meta"} -> 
    {{82011, 77048, 67983}, {"", ""}}, {507.3326, 12.98204, "Meta"} -> 
    {{118271, 105403, 101233}, {"", ""}}, {1559.8555, 12.970627, "Meta"} -> 
    {{20722, 18335, 17442}, {"", ""}}, {1042.6005, 12.993199, "Meta"} -> 
    {{178335, 192455, 226613}, {"", ""}}, {1037.118, 13.003001, "Meta"} -> 
    {{37534, 28378, 20302}, {"", ""}}, {427.3661, 13.001041, "Meta"} -> 
    {{436025, 499757, 475091}, {"Stearoylcarnitine [ C25 H49 N O4, db=99.56, \
overall=49.78, HMP ID=HMDB00848, KEGG ID= ]", ""}}, 
   {1065.1241, 13.043728, "Meta"} -> {{100536, 94183, 126017}, {"", ""}}, 
   {3153.9402, 13.013799, "Meta"} -> {{76213, 75094, 1}, {"", ""}}, 
   {1062.6643, 13.043032, "Meta"} -> {{4.38*^7, 3.39*^7, 3.44*^7}, {"", ""}}, 
   {1691.9418, 13.075117, "Meta"} -> {{56737, 56586, 61596}, {"", ""}}, 
   {1124.6125, 13.074121, "Meta"} -> {{416196, 490699, 363684}, {"", ""}}, 
   {840.5426, 13.075176, "Meta"} -> {{239613, 170960, 201698}, {"", ""}}, 
   {1610.915, 13.078408, "Meta"} -> {{87232, 100479, 79039}, {"", ""}}, 
   {183.0655, 13.115752, "Meta"} -> {{209677, 166519, 190684}, {"", ""}}, 
   {2538.609, 13.147432, "Meta"} -> {{76787, 82275, 85864}, {"", ""}}, 
   {2562.6084, 13.136644, "Meta"} -> {{178336, 155962, 189441}, {"", ""}}, 
   {545.2796, 13.128334, "Meta"} -> {{22108, 22891, 1}, {"", ""}}, 
   {1553.9612, 13.132172, "Meta"} -> {{179708, 77956, 327767}, {"", ""}}, 
   {569.3479, 13.150904, "Meta"} -> {{2059169, 1401897, 1779543}, {"", ""}}, 
   {1354.8588, 13.150917, "Meta"} -> {{33114, 29957, 35601}, {"", ""}}, 
   {1645.9559, 13.165126, "Meta"} -> {{83900, 65914, 87284}, {"", ""}}, 
   {559.2929, 13.138584, "Meta"} -> {{28253, 74426, 29026}, {"", ""}}, 
   {384.2382, 13.160249, "Meta"} -> {{22070, 20512, 25018}, {"", ""}}, 
   {883.525, 13.1601515, "Meta"} -> {{84261, 79107, 93082}, {"", ""}}, 
   {319.2722, 13.161035, "Meta"} -> {{239713, 268469, 360612}, {"", ""}}, 
   {662.3214, 13.161371, "Meta"} -> {{15943, 15196, 16424}, {"", ""}}, 
   {643.322, 13.174154, "Meta"} -> {{16629, 22135, 18992}, {"", ""}}, 
   {583.2961, 13.172579, "Meta"} -> {{157251, 136212, 132792}, {"", ""}}, 
   {1505.898, 13.17625, "Meta"} -> {{23317, 26606, 26102}, {"", ""}}, 
   {970.6001, 13.182221, "Meta"} -> {{504131, 424944, 428970}, {"", ""}}, 
   {3039.9446, 13.20112, "Meta"} -> {{35059, 37377, 37995}, {"", ""}}, 
   {2967.8972, 13.195209, "Meta"} -> {{39815, 41962, 42601}, {"", ""}}, 
   {2498.639, 13.222151, "Meta"} -> {{92768, 364231, 295400}, {"", ""}}, 
   {1512.0118, 13.256168, "Meta"} -> {{359068, 316631, 347325}, {"", ""}}, 
   {788.5499, 13.282076, "Meta"} -> {{582120, 492170, 52647}, {"", ""}}, 
   {1557.9952, 13.283399, "Meta"} -> {{338056, 338625, 331374}, {"", ""}}, 
   {2664.6548, 13.3012495, "Meta"} -> {{279305, 207905, 236850}, {"", ""}}, 
   {1558.4962, 13.295667, "Meta"} -> {{46708, 55994, 61149}, {"", ""}}, 
   {1152.6416, 13.311076, "Meta"} -> {{69132, 72843, 67990}, {"", ""}}, 
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   {400.2826, 13.33677, "Meta"} -> {{65097, 47303, 55599}, 
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   {330.2768, 13.61125, "Meta"} -> {{3114675, 1834344, 2853543}, 
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     {"Thr Met Arg [ C15 H30 N6 O5 S, db=36.71, overall=18.35 ]", ""}}, 
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     {"(20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid [ C24 H34 O3, \
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   {404.2562, 13.6432905, "Meta"} -> {{24573, 14538, 35516}, 
     {"3alpha-Hydroxy-1,7-dioxo-5beta-cholan-24-oic Acid [ C24 H36 O5, \
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   {286.2291, 13.665809, "Meta"} -> {{36280, 39399, 1}, 
     {"11-cis-Retinol [ C20 H30 O, db=65.17, overall=32.58, Lipid \
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    {{71462, 1, 307704}, {"", ""}}, {545.8475, 13.691209, "Meta"} -> 
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    {{398297, 697374, 744390}, {"", ""}}, {325.2975, 13.681, "Meta"} -> 
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   {1372.908, 13.695891, "Meta"} -> {{126289, 136576, 145023}, {"", ""}}, 
   {1523.95, 13.699626, "Meta"} -> {{79494, 79524, 86955}, {"", ""}}, 
   {1004.6844, 13.699296, "Meta"} -> {{1351198, 1015527, 1218691}, {"", ""}}, 
   {1000.5864, 13.70054, "Meta"} -> {{37022, 38455, 30741}, {"", ""}}, 
   {410.2824, 13.69748, "Meta"} -> {{24258, 30288, 120951}, 
     {"24,25-epoxy-1alpha-hydroxy-22,22,23,23-tetradehydrovitamin D3 / \
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    {{34119, 40452, 39712}, {"2H-Indol-2-one, \
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    {{36315, 28808, 38236}, {"", ""}}, {1343.0792, 13.708042, "Meta"} -> 
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    {{390379, 227080, 245389}, {"", ""}}, {948.6602, 13.717423, "Meta"} -> 
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    {{44310, 48396, 43611}, {"", ""}}, {605.3553, 13.761167, "Meta"} -> 
    {{144157, 194833, 127248}, {"", ""}}, {1614.0557, 13.773646, "Meta"} -> 
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   {2146.3713, 13.775643, "Meta"} -> {{863381, 708100, 34194}, {"", ""}}, 
   {1317.8951, 13.782828, "Meta"} -> {{146693, 135001, 142482}, {"", ""}}, 
   {486.2722, 13.799001, "Meta"} -> {{21533, 25843, 23925}, {"", ""}}, 
   {1493.9999, 13.813615, "Meta"} -> {{209280, 1, 156438}, {"", ""}}, 
   {1411.0074, 13.822881, "Meta"} -> {{292008, 243840, 241481}, {"", ""}}, 
   {364.3083, 13.814071, "Meta"} -> {{25913, 32913, 40111}, {"", ""}}, 
   {246.2344, 13.829058, "Meta"} -> {{37361, 32470, 39722}, 
     {"Dodecylbenzene [ C18 H30, db=83.32, overall=41.66, HMP ID=HMDB03542, \
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    {{20689, 36110, 13185}, {"Trihydroxycoprostanoic acid [ C28 H48 O5, \
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   {1273.8958, 13.833207, "Meta"} -> {{167699, 160403, 176610}, {"", ""}}, 
   {1692.0865, 13.839601, "Meta"} -> {{45063, 1, 52831}, {"", ""}}, 
   {615.5204, 13.8424425, "Meta"} -> {{182233, 155182, 181895}, {"", ""}}, 
   {286.2509, 13.846881, "Meta"} -> {{739379, 669119, 599034}, 
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    {{57754, 60398, 58882}, {"", ""}}, {332.1373, 13.873767, "Meta"} -> 
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   {613.7682, 13.876518, "Meta"} -> {{92508, 112227, 83772}, 
     {"Diatrizoate [ C11 H9 I3 N2 O4, db=75.97, overall=37.98, KEGG \
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    {{119579, 124016, 116586}, {"", ""}}, {1178.4764, 13.877108, "Meta"} -> 
    {{78499, 72480, 56503}, {"", ""}}, {1148.4653, 13.877125, "Meta"} -> 
    {{49409, 41292, 29973}, {"", ""}}, {1210.502, 13.87775, "Meta"} -> 
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    {{83879, 71915, 63159}, {"", ""}}, {763.4538, 13.893353, "Meta"} -> 
    {{58388, 32145, 38515}, {"", ""}}, {874.6232, 13.896, "Meta"} -> 
    {{617293, 468800, 407901}, {"", ""}}, {1026.6364, 13.899459, "Meta"} -> 
    {{70453, 56247, 56606}, {"", ""}}, {988.6857, 13.899965, "Meta"} -> 
    {{332077, 165768, 182210}, {"", ""}}, {1182.8066, 13.906625, "Meta"} -> 
    {{72453, 46665, 42600}, {"", ""}}, {1155.8073, 13.909867, "Meta"} -> 
    {{1443162, 1208118, 1276844}, {"", ""}}, 
   {1133.7634, 13.909791, "Meta"} -> {{439657, 403103, 419423}, {"", ""}}, 
   {1204.7888, 13.910968, "Meta"} -> {{385858, 839013, 478213}, {"", ""}}, 
   {412.319, 13.933791, "Meta"} -> {{573561, 914544, 112358}, {"", ""}}, 
   {429.3453, 13.92668, "Meta"} -> {{206523, 316475, 326308}, {"", ""}}, 
   {457.2311, 13.933417, "Meta"} -> {{47196, 34709, 49508}, {"", ""}}, 
   {625.5645, 13.932321, "Meta"} -> {{254230, 202127, 310849}, 
     {"1,3-di-(9Z-octadecenoyl)-2-hydroxy-sn-glycerol-d5 [ C39 H67 D5 O5, \
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   {392.1986, 13.933346, "Meta"} -> {{109048, 22867, 31023}, 
     {"Betamethasone [ C22 H29 F O5, db=56.48, overall=28.24, KEGG ID=C06848, \
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    {{353438, 237330, 259866}, {"", ""}}, {905.6038, 13.9305, "Meta"} -> 
    {{106009, 96517, 134841}, {"", ""}}, {326.2818, 13.934208, "Meta"} -> 
    {{198173, 146848, 245670}, {"14R-hydroxy-11Z-eicosenoic acid [ C20 H38 \
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   {1512.9745, 13.943259, "Meta"} -> {{88129, 297358, 309647}, {"", ""}}, 
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   {649.4322, 13.963917, "Meta"} -> {{361446, 300506, 371177}, {"", ""}}, 
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   {368.3293, 13.973274, "Meta"} -> {{38088, 131984, 38205}, 
     {"2-oxo-tricosanoic acid [ C23 H44 O3, db=83.10, overall=41.55, Lipid \
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    {{100846, 104125, 108826}, {"", ""}}, {327.3138, 14.019958, "Meta"} -> 
    {{284887, 85177, 64460}, {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, \
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   {432.3443, 14.042667, "Meta"} -> {{4343823, 2893268, 4309039}, {"", ""}}, 
   {1130.752, 14.0565195, "Meta"} -> {{657767, 424357, 509357}, {"", ""}}, 
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   {1416.8945, 14.065963, "Meta"} -> {{489496, 411007, 363518}, {"", ""}}, 
   {1478.0059, 14.069033, "Meta"} -> {{1003261, 813535, 833037}, {"", ""}}, 
   {1539.0583, 14.065129, "Meta"} -> {{483893, 383673, 422981}, {"", ""}}, 
   {388.3188, 14.077641, "Meta"} -> {{917901, 1517303, 1525169}, {"", ""}}, 
   {1671.1366, 14.077626, "Meta"} -> {{332863, 246819, 272635}, {"", ""}}, 
   {1759.1885, 14.088881, "Meta"} -> {{182072, 141056, 189880}, {"", ""}}, 
   {362.2226, 14.091807, "Meta"} -> {{57372, 54557, 49181}, {"", ""}}, 
   {406.2871, 14.089751, "Meta"} -> {{195102, 156384, 213221}, {"", ""}}, 
   {442.3058, 14.054035, "Meta"} -> {{100272, 97714, 202745}, 
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    {{444218, 389056, 327236}, {"Progesterone [ C21 H30 O2, db=66.34, \
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   {415.3467, 14.121041, "Meta"} -> {{176815, 1, 130341}, 
     {"tomatidine [ C27 H45 N O2, db=66.95, overall=33.47, Lipid \
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    {{62266, 28802, 1}, {"", ""}}, {1107.9249, 14.142357, "Meta"} -> 
    {{49301, 50809, 66654}, {"", ""}}, {889.6583, 14.144666, "Meta"} -> 
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    {{43348, 33618, 35481}, {"", ""}}, {798.6034, 14.14996, "Meta"} -> 
    {{53682, 49612, 57026}, {"GPCho(18:0/19:3(9Z,12Z,15Z)[U]) [ C45 H85 N O8 \
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   {248.2501, 14.149543, "Meta"} -> {{50847, 45016, 72691}, {"", ""}}, 
   {467.2466, 14.092066, "Meta"} -> {{34160, 35052, 24066}, 
     {"Penbutolol glucuronide [ C24 H37 N O8, db=37.20, overall=18.60, KEGG \
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    {{96069, 89527, 101167}, {"", ""}}, {1130.8466, 14.151208, "Meta"} -> 
    {{116047, 107210, 133835}, {"", ""}}, {471.2462, 14.144727, "Meta"} -> 
    {{275611, 230125, 238400}, {"", ""}}, {511.4599, 14.152822, "Meta"} -> 
    {{380069, 364317, 370410}, {"", ""}}, {474.2492, 14.152304, "Meta"} -> 
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    {{82559, 52861, 53525}, {"", ""}}, {537.4757, 14.195916, "Meta"} -> 
    {{484638, 444645, 458046}, {"", ""}}, {1949.3077, 14.181482, "Meta"} -> 
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    {{143763, 113044, 124436}, {"", ""}}, {661.5622, 14.189167, "Meta"} -> 
    {{482928, 87963, 102310}, {"", ""}}, {342.3608, 14.2178755, "Meta"} -> 
    {{27024, 56209, 99544}, {"", ""}}, {381.2554, 14.218654, "Meta"} -> 
    {{23069, 37576, 13533}, {"", ""}}, {592.5907, 14.224184, "Meta"} -> 
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    {{31581, 28951, 67199}, {"", ""}}, {919.6819, 14.234096, "Meta"} -> 
    {{54984, 39259, 51351}, {"", ""}}, {551.3956, 14.253501, "Meta"} -> 
    {{1706218, 1266285, 1097368}, {"", ""}}, {342.255, 14.27097, "Meta"} -> 
    {{2863447, 1.54*^7, 1.5*^7}, {"", ""}}, {1114.7946, 14.253259, "Meta"} -> 
    {{199537, 92293, 57106}, {"", ""}}, {174.14, 14.273462, "Meta"} -> 
    {{33873, 29287, 38993}, {"", ""}}, {540.4366, 14.265166, "Meta"} -> 
    {{128862, 107457, 120134}, {"", ""}}, {537.5111, 14.26788, "Meta"} -> 
    {{107037, 108030, 104041}, {"N-Palmitoylsphingosine [ C34 H67 N O3, \
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   {120.0925, 14.28412, "Meta"} -> {{49438, 44911, 1}, {"", ""}}, 
   {493.3546, 14.284119, "Meta"} -> {{305766, 164390, 145430}, {"", ""}}, 
   {462.2603, 14.291335, "Meta"} -> {{157394, 194908, 70416}, 
     {"Retinyl glucuronide [ C26 H38 O7, db=72.43, overall=36.21, KEGG ID=, \
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    {{248768, 269301, 94087}, {"", ""}}, {1929.2153, 14.301193, "Meta"} -> 
    {{115004, 72736, 1}, {"", ""}}, {1919.2993, 14.301039, "Meta"} -> 
    {{87375, 76420, 91199}, {"", ""}}, {678.0978, 14.303559, "Meta"} -> 
    {{39709, 28151, 27825}, {"", ""}}, {660.1179, 14.307345, "Meta"} -> 
    {{47636, 53359, 72672}, {"", ""}}, {616.0923, 14.309033, "Meta"} -> 
    {{17922, 65499, 90792}, {"", ""}}, {1968.2823, 14.29344, "Meta"} -> 
    {{77514, 86564, 22528}, {"", ""}}, {557.4655, 14.3256235, "Meta"} -> 
    {{80214, 85729, 112146}, {"", ""}}, {210.1611, 14.326935, "Meta"} -> 
    {{28461, 28076, 28289}, {"3E,5E-tridecadienoic acid [ C13 H22 O2, \
db=51.36, overall=25.68, Lipid ID=, KEGG ID= ]", ""}}, 
   {280.2406, 14.322849, "Meta"} -> {{216748, 168572, 171973}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=82.66, overall=41.33, \
Lipid ID=, KEGG ID= ]", ""}}, {1302.9338, 14.329708, "Meta"} -> 
    {{377277, 348368, 586583}, {"", ""}}, {1224.7938, 14.333634, "Meta"} -> 
    {{206221, 147970, 92618}, {"", ""}}, {1158.784, 14.347498, "Meta"} -> 
    {{72678, 60668, 40385}, {"", ""}}, {412.258, 14.357724, "Meta"} -> 
    {{8418059, 7598238, 7364901}, {"", ""}}, {224.1775, 14.381326, "Meta"} -> 
    {{149186, 811023, 699317}, {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, \
db=80.34, overall=40.17, Lipid ID=, KEGG ID= ]", ""}}, 
   {540.3789, 14.368897, "Meta"} -> {{693310, 368656, 678927}, {"", ""}}, 
   {266.2606, 14.390668, "Meta"} -> {{47490, 41728, 45638}, 
     {"3E,13Z-octadecadien-1-ol [ C18 H34 O, db=80.14, overall=40.07, Lipid \
ID=, KEGG ID= ]", ""}}, {1987.2571, 14.389832, "Meta"} -> 
    {{96340, 1, 51478}, {"", ""}}, {644.4889, 14.399479, "Meta"} -> 
    {{724496, 383861, 365572}, {"", ""}}, {782.5681, 14.399292, "Meta"} -> 
    {{1183110, 1236863, 632490}, {"GPCho(18:1(9Z)/18:3(9Z,12Z,15Z)[U]) [ C44 \
H81 N O8 P, db=94.15, overall=47.08, Lipid ID=LMGP01010899, KEGG ID= ]", 
      ""}}, {1982.2996, 14.399588, "Meta"} -> {{139468, 107348, 85194}, 
     {"", ""}}, {1977.3427, 14.395542, "Meta"} -> {{96459, 83087, 125366}, 
     {"", ""}}, {415.3658, 14.408801, "Meta"} -> {{182376, 306441, 389305}, 
     {"", ""}}, {1894.2448, 14.404812, "Meta"} -> {{201709, 154412, 127866}, 
     {"", ""}}, {539.2676, 14.406583, "Meta"} -> {{36961, 36159, 17670}, 
     {"", ""}}, {258.1832, 14.399001, "Meta"} -> {{84052, 89801, 60582}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=63.45, overall=31.73, \
Lipid ID=, KEGG ID= ]", ""}}, {1674.1147, 14.420113, "Meta"} -> 
    {{431232, 358821, 1}, {"", ""}}, {1669.1595, 14.419, "Meta"} -> 
    {{327839, 297224, 470200}, {"", ""}}, {607.7394, 14.417484, "Meta"} -> 
    {{45788, 38006, 39112}, {"", ""}}, {690.5302, 14.423751, "Meta"} -> 
    {{120289, 85916, 75555}, {"", ""}}, {410.3766, 14.434156, "Meta"} -> 
    {{101354, 87107, 101687}, {"", ""}}, {1458.941, 14.442542, "Meta"} -> 
    {{244115, 193745, 137734}, {"", ""}}, {1360.9753, 14.447921, "Meta"} -> 
    {{270009, 240774, 1}, {"", ""}}, {415.4019, 14.450322, "Meta"} -> 
    {{32676, 20934, 35624}, {"", ""}}, {1326.8624, 14.456611, "Meta"} -> 
    {{127883, 115548, 92624}, {"", ""}}, {433.3763, 14.454422, "Meta"} -> 
    {{163770, 205275, 354055}, {"(+/-)N-(2-fluro-ethyl)-2,16,16-trimethyl-5Z,\
8Z,11Z,14Z-tricosatetraenoyl amine [ C28 H48 F N O, db=67.24, overall=33.62, \
Lipid ID=, KEGG ID= ]", ""}}, {450.3702, 14.42675, "Meta"} -> 
    {{169624, 375868, 1}, {"3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-on\
e [ C28 H50 O4, db=86.51, overall=43.25, Lipid ID=, KEGG ID= ]", ""}}, 
   {998.7598, 14.480124, "Meta"} -> {{31152, 27214, 18540}, {"", ""}}, 
   {568.4706, 14.499832, "Meta"} -> {{767660, 684580, 1}, {"", ""}}, 
   {640.1112, 14.502998, "Meta"} -> {{64512, 39973, 73220}, {"", ""}}, 
   {537.4164, 14.511375, "Meta"} -> {{1477188, 924800, 791627}, {"", ""}}, 
   {1859.2772, 14.508418, "Meta"} -> {{143996, 1, 1}, {"", ""}}, 
   {820.8858, 14.511085, "Meta"} -> {{46310, 39344, 52497}, 
     {"Iohexol [ C19 H26 I3 N3 O9, db=28.84, overall=14.42, KEGG ID=, CAS \
ID=66108-95-0 ]", "66108-95-0"}}, {403.3657, 14.511079, "Meta"} -> 
    {{261933, 188150, 336179}, {"", ""}}, {484.3078, 14.513251, "Meta"} -> 
    {{36253, 26893, 40432}, {"", ""}}, {556.449, 14.513818, "Meta"} -> 
    {{194052, 170308, 1}, {"", ""}}, {1727.2, 14.51852, "Meta"} -> 
    {{228036, 187468, 1}, {"", ""}}, {371.3507, 14.486881, "Meta"} -> 
    {{28066, 29381, 46219}, {"", ""}}, {1428.9324, 14.556345, "Meta"} -> 
    {{92626, 1, 1}, {"", ""}}, {246.2343, 14.558037, "Meta"} -> 
    {{38842, 29792, 23262}, {"Dodecylbenzene [ C18 H30, db=85.43, \
overall=42.71, HMP ID=HMDB03542, KEGG ID= ]", ""}}, 
   {704.547, 14.558501, "Meta"} -> {{61753, 41755, 48009}, {"", ""}}, 
   {353.239, 14.559209, "Meta"} -> {{82246, 63671, 66510}, {"", ""}}, 
   {320.307, 14.586639, "Meta"} -> {{27696, 43199, 35678}, {"", ""}}, 
   {674.1341, 14.583749, "Meta"} -> {{50236, 40170, 38402}, {"", ""}}, 
   {1922.2782, 14.597296, "Meta"} -> {{101507, 1, 84142}, {"", ""}}, 
   {648.6536, 14.599898, "Meta"} -> {{94654, 676138, 73053}, {"", ""}}, 
   {721.5625, 14.639969, "Meta"} -> {{91362, 81148, 123626}, {"", ""}}, 
   {796.2077, 14.596042, "Meta"} -> {{80155, 1, 53293}, {"", ""}}, 
   {356.3766, 14.611617, "Meta"} -> {{189321, 407136, 127012}, {"", ""}}, 
   {729.6274, 14.614373, "Meta"} -> {{867672, 356994, 53231}, {"", ""}}, 
   {616.4684, 14.621041, "Meta"} -> {{5450414, 6175744, 4879493}, {"", ""}}, 
   {292.1672, 14.630277, "Meta"} -> {{289779, 62215, 310663}, {"", ""}}, 
   {783.0571, 14.639333, "Meta"} -> {{93759, 78291, 82038}, {"", ""}}, 
   {516.2764, 14.643195, "Meta"} -> {{80718, 19190, 109839}, {"", ""}}, 
   {126.1405, 14.642334, "Meta"} -> {{178280, 42317, 215101}, {"", ""}}, 
   {449.3507, 14.649598, "Meta"} -> {{415731, 99898, 546422}, {"", ""}}, 
   {714.5294, 14.645124, "Meta"} -> {{90239, 85300, 71215}, 
     {"1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docos\
ahexaenoyl)-sn-glycerol [ C47 H70 O5, db=26.90, overall=13.45, KEGG ID=, CAS \
ID= ]", ""}}, {148.0158, 14.662999, "Meta"} -> {{406645, 30118, 443852}, 
     {"", ""}}, {1975.3611, 14.680179, "Meta"} -> 
    {{88851, 1, 60179}, {"", ""}}, {1304.9498, 14.676501, "Meta"} -> 
    {{183879, 144131, 176606}, {"", ""}}, {1288.9882, 14.677895, "Meta"} -> 
    {{685076, 281383, 175973}, {"", ""}}, {314.2456, 14.663063, "Meta"} -> 
    {{88887, 91342, 71931}, {"Octadecanedioic acid [ C18 H34 O4, db=84.30, \
overall=42.15, HMP ID=HMDB00782, KEGG ID= ]", ""}}, 
   {1887.3066, 14.691118, "Meta"} -> {{92193, 68842, 1}, {"", ""}}, 
   {718.5628, 14.687387, "Meta"} -> {{472217, 448799, 462869}, {"", ""}}, 
   {623.4396, 14.6919565, "Meta"} -> {{74663, 64185, 72081}, {"", ""}}, 
   {645.6059, 14.685749, "Meta"} -> {{69400, 81512, 76310}, {"", ""}}, 
   {628.3971, 14.698038, "Meta"} -> {{28327, 50609, 1}, {"", ""}}, 
   {1843.2805, 14.697259, "Meta"} -> {{94147, 54831, 58089}, {"", ""}}, 
   {648.5186, 14.694042, "Meta"} -> {{371724, 316339, 332524}, {"", ""}}, 
   {408.3972, 14.705543, "Meta"} -> {{39173, 32934, 25078}, 
     {"2,4-dimethyl-2-pentacosenoic acid [ C27 H52 O2, db=74.43, \
overall=37.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {1226.7506, 14.711852, "Meta"} -> {{167230, 210164, 128386}, 
     {"Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=97.82, \
overall=48.91, HMP ID=HMDB04902, KEGG ID= ]", ""}}, 
   {645.4183, 14.717676, "Meta"} -> {{132288, 147590, 107390}, {"", ""}}, 
   {698.468, 14.730161, "Meta"} -> {{72450, 75565, 69695}, {"", ""}}, 
   {758.5008, 14.730802, "Meta"} -> {{103685, 96695, 37029}, {"", ""}}, 
   {337.2991, 14.743073, "Meta"} -> {{159635, 403503, 217287}, {"", ""}}, 
   {567.4826, 14.741691, "Meta"} -> {{57784, 94975, 67835}, {"", ""}}, 
   {335.2823, 14.734916, "Meta"} -> {{301480, 412239, 232297}, {"", ""}}, 
   {224.1774, 14.743076, "Meta"} -> {{40203, 1, 42847}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=58.15, overall=29.08, \
Lipid ID=, KEGG ID= ]", ""}}, {311.2823, 14.741, "Meta"} -> 
    {{343402, 427078, 271723}, {"", ""}}, {410.3415, 14.759458, "Meta"} -> 
    {{749584, 258911, 1}, {"", ""}}, {578.4528, 14.761768, "Meta"} -> 
    {{106640, 112206, 109498}, {"", ""}}, {821.8807, 14.768291, "Meta"} -> 
    {{52937, 19048, 13543}, {"", ""}}, {454.306, 14.7669325, "Meta"} -> 
    {{499304, 1, 516727}, {"26,26,26-trifluoro-25-hydroxyvitamin D3 / \
26,26,26-trifluoro-25-hydroxycholecalciferol [ C27 H41 F3 O2, db=96.49, \
overall=48.25, Lipid ID=LMST03020131, KEGG ID= ]", ""}}, 
   {754.4952, 14.762309, "Meta"} -> {{36094, 30767, 30386}, {"", ""}}, 
   {544.4848, 14.776436, "Meta"} -> {{62319, 58705, 60391}, {"", ""}}, 
   {1023.6713, 14.774457, "Meta"} -> {{84433, 1, 117327}, 
     {"Trihexosylceramide (d18:1/16:0) [ C52 H97 N O18, db=90.02, \
overall=45.01, HMP ID=HMDB04879, KEGG ID= ]", ""}}, 
   {278.1698, 14.775679, "Meta"} -> {{72318, 132012, 41410}, {"", ""}}, 
   {647.6214, 14.772876, "Meta"} -> {{60926, 75024, 72192}, 
     {"Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, db=98.12, overall=49.06, \
HMP ID=HMDB04953, KEGG ID= ]", ""}}, {434.3759, 14.783721, "Meta"} -> 
    {{139535, 138323, 53404}, {"6-deoxoteasterone [ C28 H50 O3, db=63.15, \
overall=31.57, Lipid ID=LMST01030120, KEGG ID= ]", ""}}, 
   {724.4845, 14.780425, "Meta"} -> {{25928, 21785, 20192}, {"", ""}}, 
   {406.3782, 14.821377, "Meta"} -> {{37135, 39591, 26047}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=55.72, \
overall=27.86, Lipid ID=, KEGG ID= ]", ""}}, {704.5472, 14.802679, "Meta"} -> 
    {{78983, 57520, 58501}, {"", ""}}, {1249.0677, 14.813335, "Meta"} -> 
    {{41168, 1, 19052}, {"", ""}}, {843.4971, 14.847156, "Meta"} -> 
    {{135794, 119411, 124999}, {"", ""}}, {2045.5883, 14.842042, "Meta"} -> 
    {{24667, 29966, 39172}, {"", ""}}, {2720.1182, 14.840377, "Meta"} -> 
    {{277613, 144504, 161061}, {"", ""}}, {2061.5564, 14.8452215, "Meta"} -> 
    {{243110, 270299, 291072}, {"", ""}}, {1239.9836, 14.848166, "Meta"} -> 
    {{137883, 109839, 149347}, {"", ""}}, {1387.0208, 14.848454, "Meta"} -> 
    {{559474, 646982, 655060}, {"", ""}}, {565.4473, 14.858251, "Meta"} -> 
    {{626938, 451808, 544727}, {"", ""}}, {1226.951, 14.852665, "Meta"} -> 
    {{47049, 54015, 59196}, {"", ""}}, {1419.0518, 14.88988, "Meta"} -> 
    {{18313, 29229, 1}, {"", ""}}, {455.3974, 14.8894205, "Meta"} -> 
    {{41768, 58644, 24214}, {"", ""}}, {483.4287, 14.892069, "Meta"} -> 
    {{99574, 90198, 34900}, {"", ""}}, {1375.0894, 14.895823, "Meta"} -> 
    {{1564724, 1333278, 1437153}, {"", ""}}, {469.413, 14.892142, "Meta"} -> 
    {{304116, 414477, 79293}, {"", ""}}, {280.2035, 14.893897, "Meta"} -> 
    {{57593, 69341, 28155}, 
     {"12S-HHTrE [ C17 H28 O3, db=88.18, overall=44.09, KEGG ID=, CAS ID= ]", 
      ""}}, {2113.588, 14.897228, "Meta"} -> {{117931, 90614, 117559}, 
     {"", ""}}, {1292.0153, 14.903293, "Meta"} -> {{488799, 341145, 350773}, 
     {"", ""}}, {2139.604, 14.913654, "Meta"} -> {{414536, 446079, 405114}, 
     {"", ""}}, {1521.0576, 14.912457, "Meta"} -> {{48581, 41227, 41788}, 
     {"", ""}}, {738.4997, 14.919686, "Meta"} -> 
    {{1109341, 1346676, 1278575}, {"", ""}}, 
   {1885.4286, 14.923374, "Meta"} -> {{21830, 22877, 24863}, {"", ""}}, 
   {892.7136, 14.926122, "Meta"} -> {{93402, 137859, 46072}, {"", ""}}, 
   {406.3781, 14.850402, "Meta"} -> {{1487609, 57063, 1}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=63.39, \
overall=31.69, Lipid ID=, KEGG ID= ]", ""}}, {607.4578, 14.934502, "Meta"} -> 
    {{181356, 199472, 167613}, {"", ""}}, {1389.1053, 14.947632, "Meta"} -> 
    {{1402729, 1330981, 1469421}, {"", ""}}, 
   {1363.0868, 14.951377, "Meta"} -> {{159872, 175912, 207443}, {"", ""}}, 
   {1415.0522, 14.961962, "Meta"} -> {{189323, 247842, 217193}, {"", ""}}, 
   {857.512, 14.964919, "Meta"} -> {{63240, 75730, 81076}, {"", ""}}, 
   {1142.867, 14.976418, "Meta"} -> {{20105, 23394, 23256}, {"", ""}}, 
   {1266.9861, 14.97788, "Meta"} -> {{58326, 62767, 67281}, {"", ""}}, 
   {1154.8688, 14.982498, "Meta"} -> {{39245, 1, 43537}, {"", ""}}, 
   {390.277, 15.002232, "Meta"} -> {{294942, 247353, 271214}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=85.91, \
overall=42.95, Lipid ID=, KEGG ID= ]", ""}}, {752.5832, 15.019201, "Meta"} -> 
    {{392588, 78965, 71860}, {"", ""}}, {484.3526, 15.004758, "Meta"} -> 
    {{43884, 69911, 95879}, {"(22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimet\
hyl-23,24-tetradehydro-20-epivitamin D3 / (22S)-1alph [ C31 H48 O4, db=66.11, \
overall=33.06, Lipid ID=LMST03020487, KEGG ID= ]", ""}}, 
   {367.3811, 15.008845, "Meta"} -> {{31501, 43538, 35595}, {"", ""}}, 
   {677.5002, 15.038733, "Meta"} -> {{1985561, 1964486, 1933839}, 
     {"GPEtn(13:0/18:0)[U] [ C36 H72 N O8 P, db=95.91, overall=47.95, Lipid \
ID=LMGP02010240, KEGG ID= ]", ""}}, {1391.1198, 15.0320015, "Meta"} -> 
    {{276276, 270363, 255943}, {"", ""}}, {1454.0837, 15.034749, "Meta"} -> 
    {{246877, 236350, 241275}, {"", ""}}, {1380.0681, 15.047085, "Meta"} -> 
    {{1105509, 1086915, 1126161}, {"", ""}}, {755.4903, 15.05794, "Meta"} -> 
    {{119621, 98441, 123903}, {"", ""}}, {784.5607, 15.058108, "Meta"} -> 
    {{46925, 55164, 51417}, {"", ""}}, {758.4878, 15.060915, "Meta"} -> 
    {{417211, 482052, 521263}, {"", ""}}, {818.5122, 15.060144, "Meta"} -> 
    {{149220, 184930, 119999}, {"", ""}}, {737.5, 15.062039, "Meta"} -> 
    {{159873, 204138, 186101}, {"", ""}}, {1283.0142, 15.076242, "Meta"} -> 
    {{73527, 70905, 126856}, {"", ""}}, {2171.6577, 15.092257, "Meta"} -> 
    {{87909, 64708, 76739}, {"", ""}}, {995.0105, 15.10904, "Meta"} -> 
    {{31917, 23492, 1}, {"", ""}}, {488.4462, 15.100375, "Meta"} -> 
    {{29798, 16218, 17410}, {"", ""}}, {1469.0988, 15.108223, "Meta"} -> 
    {{152365, 200167, 178292}, {"", ""}}, {1506.1136, 15.1095, "Meta"} -> 
    {{523334, 892074, 1}, {"", ""}}, {471.3568, 15.111719, "Meta"} -> 
    {{158314, 77155, 116428}, {"", ""}}, {1322.0612, 15.118584, "Meta"} -> 
    {{64147, 48198, 52815}, {"", ""}}, {828.6716, 15.138119, "Meta"} -> 
    {{67097, 67553, 65052}, {"", ""}}, {593.4785, 15.136201, "Meta"} -> 
    {{357779, 344363, 352164}, {"", ""}}, {697.5053, 15.145536, "Meta"} -> 
    {{34270, 33159, 34471}, {"1-tetrahexanoyl-2-(8-[3]-ladderane-octanyl)-sn-\
glycerophosphoethanolamine [ C39 H72 N O7 P, db=68.26, overall=34.13, Lipid \
ID=, KEGG ID= ]", ""}}, {803.5472, 15.149806, "Meta"} -> 
    {{2954373, 2825696, 2708826}, {"", ""}}, 
   {619.4939, 15.1440735, "Meta"} -> {{89606, 87733, 81867}, 
     {"CerP(d18:0/16:0) [ C34 H70 N O6 P, db=93.09, overall=46.55, Lipid \
ID=LMSP02050003, KEGG ID= ]", ""}}, {558.4257, 15.139498, "Meta"} -> 
    {{62953, 1, 83782}, {"", ""}}, {622.4963, 15.142163, "Meta"} -> 
    {{16015, 20923, 19127}, {"", ""}}, {820.6892, 15.14996, "Meta"} -> 
    {{10838, 15225, 10685}, {"", ""}}, {893.5938, 15.154918, "Meta"} -> 
    {{175405, 150815, 157925}, {"", ""}}, {663.5204, 15.159599, "Meta"} -> 
    {{56210, 53756, 52036}, {"", ""}}, {779.5471, 15.188432, "Meta"} -> 
    {{5.44*^7, 5.53*^7, 4.99*^7}, {"", ""}}, {851.5445, 15.182407, "Meta"} -> 
    {{26333, 32925, 31506}, {"", ""}}, {805.5616, 15.247258, "Meta"} -> 
    {{5888205, 1, 1560877}, {"Galabiosylceramide (d18:1/12:0) [ C42 H79 N \
O13, db=66.51, overall=33.26, HMP ID=HMDB04831, KEGG ID= ]", ""}}, 
   {1489.1093, 15.274734, "Meta"} -> {{368417, 465976, 433236}, {"", ""}}, 
   {719.5459, 15.309272, "Meta"} -> {{24670, 1, 1}, 
     {"GPEtn(20:0/14:0)[U] [ C39 H78 N O8 P, db=86.95, overall=43.48, Lipid \
ID=LMGP02010177, KEGG ID= ]", ""}}, {1571.0496, 15.31023, "Meta"} -> 
    {{40725, 53455, 43068}, {"", ""}}, {725.5362, 15.288499, "Meta"} -> 
    {{92054, 102250, 83138}, {"", ""}}, {873.5031, 15.313261, "Meta"} -> 
    {{32464, 46093, 36763}, {"", ""}}, {756.6148, 15.312764, "Meta"} -> 
    {{194354, 218021, 204883}, {"", ""}}, {1547.1289, 15.317959, "Meta"} -> 
    {{192210, 147598, 139599}, {"", ""}}, {1573.1439, 15.344415, "Meta"} -> 
    {{257656, 1260809, 218693}, {"", ""}}, {1549.1458, 15.37693, "Meta"} -> 
    {{749691, 1583408, 1764981}, {"", ""}}, {782.6284, 15.348928, "Meta"} -> 
    {{71769, 80940, 68612}, {"", ""}}, {952.5369, 15.360694, "Meta"} -> 
    {{21897, 28883, 23571}, {"", ""}}, {1525.1418, 15.393956, "Meta"} -> 
    {{674871, 1582014, 1}, {"", ""}}, {1491.1252, 15.387623, "Meta"} -> 
    {{37234, 47568, 48918}, {"", ""}}, {775.5518, 15.381926, "Meta"} -> 
    {{84722, 72955, 67652}, {"", ""}}, {875.5185, 15.418427, "Meta"} -> 
    {{23969, 28640, 20849}, {"", ""}}, {1595.19, 15.493964, "Meta"} -> 
    {{4819775, 4594571, 3390906}, {"", ""}}, {1579.1923, 15.52975, "Meta"} -> 
    {{1103946, 843662, 1}, {"", ""}}, {954.5526, 15.542758, "Meta"} -> 
    {{155755, 179598, 136840}, {"", ""}}, {1557.2059, 15.597347, "Meta"} -> 
    {{611270, 453748, 496272}, {"", ""}}, {909.5775, 15.618968, "Meta"} -> 
    {{113947, 120621, 99762}, {"", ""}}, {1573.2028, 15.661559, "Meta"} -> 
    {{798418, 883155, 838688}, {"", ""}}, {1559.2216, 15.669201, "Meta"} -> 
    {{550408, 506306, 512093}, {"", ""}}, {602.5269, 15.669942, "Meta"} -> 
    {{51269, 78981, 76220}, {"1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-\
octanyl)-sn-glycerol [ C39 H70 O4, db=63.29, overall=31.64, Lipid ID=, KEGG \
ID= ]", ""}}, {843.6118, 15.722835, "Meta"} -> {{1050608, 815348, 882257}, 
     {"", ""}}, {834.6468, 15.719202, "Meta"} -> {{38414, 38846, 36567}, 
     {"", ""}}, {621.6059, 15.754334, "Meta"} -> {{37614, 29683, 35600}, 
     {"Ceramide (d18:1/22:0) [ C40 H79 N O3, db=87.19, overall=43.60, HMP \
ID=HMDB04952, KEGG ID= ]", ""}}, {838.6273, 15.792639, "Meta"} -> 
    {{68581, 81566, 65501}, {"GPCho(20:0/20:4(5Z,8Z,11Z,14Z)) [ C48 H89 N O8 \
P, db=55.85, overall=27.93, Lipid ID=LMGP01011023, KEGG ID= ]", ""}}, 
   {656.5704, 15.817416, "Meta"} -> {{98997, 1, 185894}, {"", ""}}, 
   {582.4434, 15.824362, "Meta"} -> {{42756, 30503, 37345}, 
     {"Spheroidenone [ C41 H58 O2, db=89.48, overall=44.74, Lipid \
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    {{83951, 108106, 130101}, {"", ""}}, {639.5801, 15.833317, "Meta"} -> 
    {{178143, 273844, 225320}, {"", ""}}, {635.6218, 15.840301, "Meta"} -> 
    {{85143, 72330, 81804}, {"Tricosanamide [ C41 H81 N O3, db=95.86, \
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   {747.6132, 15.858359, "Meta"} -> {{336819, 238342, 291487}, {"", ""}}, 
   {564.3964, 15.855876, "Meta"} -> {{117412, 87402, 93610}, 
     {"Alloxanthin/ Tetradehydrozeaxanthin / (Cynthiaxanthin)/ \
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    {{3089824, 1413817, 1}, {"", ""}}, {840.7075, 15.923631, "Meta"} -> 
    {{250812, 128928, 213462}, {"", ""}}, {1018.6208, 15.944415, "Meta"} -> 
    {{249811, 194341, 170396}, {"", ""}}, {815.6404, 15.987547, "Meta"} -> 
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    {{278882, 310627, 322142}, {"", ""}}, {624.5694, 16.028141, "Meta"} -> 
    {{252484, 2518876, 554120}, {"1-hexadecanoyl-2-eicosanoyl-sn-glycerol [ \
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   {793.5295, 16.028925, "Meta"} -> {{112814, 1, 150648}, {"", ""}}, 
   {684.6018, 16.037434, "Meta"} -> {{230879, 247675, 445391}, {"", ""}}, 
   {647.6577, 16.104456, "Meta"} -> {{29893, 29653, 37831}, {"", ""}}, 
   {901.6918, 16.16311, "Meta"} -> {{2831056, 1838479, 2784312}, {"", ""}}, 
   {851.6773, 16.1885, "Meta"} -> {{4985318, 3555476, 3464152}, {"", ""}}, 
   {1046.6519, 16.208208, "Meta"} -> {{332123, 212687, 228957}, {"", ""}}, 
   {915.6391, 16.21967, "Meta"} -> {{414272, 367496, 387884}, {"", ""}}, 
   {674.5822, 16.300085, "Meta"} -> {{58374, 55781, 104071}, 
     {"1-(9Z,12Z,15Z-octadecatrienoyl)-2-docosanoyl-sn-glycerol [ C43 H78 O5, \
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   {669.6272, 16.306915, "Meta"} -> {{56416, 30877, 74801}, {"", ""}}, 
   {599.7973, 0.40380767, "Meta"} -> {{1, 20450, 23422}, {"", ""}}, 
   {657.758, 0.40885717, "Meta"} -> {{1, 28009, 19781}, {"", ""}}, 
   {294.0586, 0.8043199, "Meta"} -> {{1, 189088, 213867}, 
     {"2-Butanone, 4-[6-(sulfooxy)-2-naphthalenyl]- [ C14 H14 O5 S, db=75.51, \
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   {281.1835, 0.9314584, "Meta"} -> {{1, 80035, 1}, {"", ""}}, 
   {398.103, 10.056501, "Meta"} -> {{1, 196766, 208004}, 
     {"7-Deoxyadriamycinone [ C21 H18 O8, db=72.55, overall=36.27, KEGG ID=, \
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    {{1, 20790, 19224}, {"Gibberellin A9 [ C19 H24 O4, db=70.57, \
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   {360.3348, 12.153709, "Meta"} -> {{1, 18381, 1}, {"", ""}}, 
   {575.2531, 12.914229, "Meta"} -> {{1, 112900, 98752}, {"", ""}}, 
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   {1054.6296, 13.4031925, "Meta"} -> {{1, 303431, 1}, {"", ""}}, 
   {354.2764, 13.447666, "Meta"} -> {{1, 132965, 205123}, 
     {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 O4, db=81.00, \
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    {{1, 1, 26825}, {"3alpha-Hydroxy-1,7-dioxo-5beta-cholan-24-oic Acid [ C24 \
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   {393.345, 13.526668, "Meta"} -> {{1, 38223, 73923}, {"", ""}}, 
   {924.666, 13.533161, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {669.1917, 13.736482, "Meta"} -> {{1, 109363, 1}, {"", ""}}, 
   {1290.8967, 13.782408, "Meta"} -> {{1, 52147, 65774}, {"", ""}}, 
   {635.9026, 13.919742, "Meta"} -> {{1, 101625, 101278}, {"", ""}}, 
   {635.3999, 13.91975, "Meta"} -> {{1, 178765, 185458}, {"", ""}}, 
   {516.3801, 14.114333, "Meta"} -> {{1, 93060, 1}, {"", ""}}, 
   {511.1689, 14.181082, "Meta"} -> {{1, 81827, 1}, {"", ""}}, 
   {931.215, 14.176583, "Meta"} -> {{1, 306077, 1}, {"", ""}}, 
   {586.1548, 14.178291, "Meta"} -> {{1, 82177, 1}, {"", ""}}, 
   {1359.9429, 14.191167, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1320.8715, 14.194332, "Meta"} -> {{1, 1, 471936}, {"", ""}}, 
   {380.2015, 14.26752, "Meta"} -> {{1, 26383, 22375}, 
     {"fludrocortisone [ C21 H29 F O5, db=74.03, overall=37.01, KEGG \
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    {{1, 56162, 1}, {"", ""}}, {356.3763, 14.378928, "Meta"} -> 
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    {{1, 148408, 202532}, {"", ""}}, {650.1152, 14.411629, "Meta"} -> 
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    {{1, 161115, 1}, {"", ""}}, {368.2238, 14.477722, "Meta"} -> 
    {{1, 48906, 1}, {"Cinnarizine [ C26 H28 N2, db=69.13, overall=34.57, KEGG \
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    {{1, 1, 106564}, {"", ""}}, {647.4032, 14.609459, "Meta"} -> 
    {{1, 152289, 81949}, {"", ""}}, {500.3232, 14.654705, "Meta"} -> 
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    {{1, 10800, 1}, {"", ""}}, {788.0411, 15.420655, "Meta"} -> 
    {{1, 12472, 21016}, {"", ""}}, {841.5162, 15.547038, "Meta"} -> 
    {{1, 39962, 1}, {"", ""}}, {850.624, 15.728799, "Meta"} -> 
    {{1, 470737, 441158}, {"", ""}}, {517.7982, 0.4096, "Meta"} -> 
    {{1, 15923, 20558}, {"", ""}}, {666.2423, 12.18948, "Meta"} -> 
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    {{1, 159220, 151777}, {"", ""}}, {3109.9707, 13.280482, "Meta"} -> 
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    {{1, 2935845, 2632903}, {"", ""}}, {688.2758, 13.875841, "Meta"} -> 
    {{1, 23327, 1}, {"", ""}}, {1489.1554, 14.143559, "Meta"} -> 
    {{1, 4227739, 251098}, {"", ""}}, {1390.9865, 14.3234005, "Meta"} -> 
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    {{1, 226162, 1}, {"", ""}}, {1457.1663, 15.1218405, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {2310.636, 15.30744, "Meta"} -> 
    {{1, 36227, 28885}, {"", ""}}, {467.2173, 13.542123, "Meta"} -> 
    {{1, 29999, 26336}, {"Levobunolol glucuronide [ C23 H33 N O9, db=57.86, \
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   {1498.9567, 13.811957, "Meta"} -> {{1, 62981, 57213}, {"", ""}}, 
   {356.2327, 13.884462, "Meta"} -> {{1, 18517, 21657}, 
     {"Estradiol valerate [ C23 H32 O3, db=46.24, overall=23.12, Lipid \
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    {{1, 37142, 44104}, {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 \
H50 O2, db=58.66, overall=29.33, Lipid ID=, KEGG ID= ]", ""}}, 
   {422.3396, 14.760127, "Meta"} -> {{1, 86377, 76603}, {"", ""}}|>, 
 "16" -> <|{202.0329, 0.33260712, "Meta"} -> {{391986, 300174, 1}, {"", ""}}, 
   {174.0375, 0.33451426, "Meta"} -> {{98459, 89538, 70533}, {"", ""}}, 
   {142.012, 0.3335833, "Meta"} -> {{366963, 298753, 313132}, {"", ""}}, 
   {100.0009, 0.33358333, "Meta"} -> {{42416, 40929, 32604}, {"", ""}}, 
   {81.9906, 0.33332258, "Meta"} -> {{40743, 30671, 28203}, {"", ""}}, 
   {942.9842, 0.34920588, "Meta"} -> {{138831, 137981, 114029}, {"", ""}}, 
   {146.1052, 0.34577778, "Meta"} -> {{115961, 115872, 108797}, 
     {"Lysine [ C6 H14 N2 O2, db=85.61, overall=42.81, KEGG ID=C00047, CAS \
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    {{35654, 28982, 35119}, {"", ""}}, {327.9996, 0.35123524, "Meta"} -> 
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    {{24380, 21062, 19505}, {"", ""}}, {507.9825, 0.35863888, "Meta"} -> 
    {{27940, 24984, 22227}, {"Inosine triphosphate [ C10 H15 N4 O14 P3, \
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   {656.0118, 0.36025003, "Meta"} -> {{30044, 32829, 16798}, {"", ""}}, 
   {738.0146, 0.3612308, "Meta"} -> {{23074, 19283, 1}, {"", ""}}, 
   {1278.0948, 0.3672727, "Meta"} -> {{13292, 16300, 14213}, {"", ""}}, 
   {436.0787, 0.36760005, "Meta"} -> {{33172, 33408, 28296}, {"", ""}}, 
   {340.0591, 0.3675589, "Meta"} -> {{41166, 43781, 35876}, {"", ""}}, 
   {600.0828, 0.36788896, "Meta"} -> {{55451, 57815, 59015}, {"", ""}}, 
   {586.0686, 0.36716667, "Meta"} -> {{28030, 29478, 27078}, {"", ""}}, 
   {504.0638, 0.3671143, "Meta"} -> {{24029, 25397, 23390}, {"", ""}}, 
   {682.0872, 0.36725715, "Meta"} -> {{22572, 23184, 20611}, {"", ""}}, 
   {518.081, 0.36761123, "Meta"} -> {{57420, 60516, 57761}, {"", ""}}, 
   {168.0872, 0.36461288, "Meta"} -> {{109103, 1, 45347}, {"", ""}}, 
   {354.0757, 0.36960006, "Meta"} -> {{102704, 102939, 1}, 
     {"N-Desmethylketazolam [ C19 H15 Cl N2 O3, db=61.05, overall=30.52, KEGG \
ID=, CAS ID=26945-40-4 ]", "26945-40-4"}}, {764.0883, 0.36781484, "Meta"} -> 
    {{10025, 10733, 11042}, {"", ""}}, {1442.1014, 0.36745453, "Meta"} -> 
    {{17378, 19144, 18562}, {"", ""}}, {1110.0033, 0.36859375, "Meta"} -> 
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   {103.9855, 0.37086117, "Meta"} -> {{1475754, 1214580, 1351609}, {"", ""}}, 
   {842.5152, 0.37236363, "Meta"} -> {{56108, 53955, 55610}, 
     {"Spiramycin 1 [ C43 H74 N2 O14, db=50.52, overall=25.26, KEGG \
ID=C01754, CAS ID=24916-50-5 ]", "24916-50-5"}}, 
   {1274.0109, 0.37162504, "Meta"} -> {{168770, 177616, 172652}, {"", ""}}, 
   {2094.0337, 0.37128574, "Meta"} -> {{82035, 80538, 83146}, {"", ""}}, 
   {2504.0469, 0.37122574, "Meta"} -> {{33207, 38944, 37284}, {"", ""}}, 
   {2176.057, 0.37145713, "Meta"} -> {{113442, 117707, 112211}, {"", ""}}, 
   {1848.0302, 0.37174284, "Meta"} -> {{294421, 291770, 282636}, {"", ""}}, 
   {678.5085, 0.37215626, "Meta"} -> {{48223, 48863, 48715}, 
     {"GPCho(14:0/14:0[U]) [ C36 H73 N O8 P, db=51.87, overall=25.93, Lipid \
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    {{1007489, 1018433, 982917}, {"", ""}}, {760.0074, 0.3722353, "Meta"} -> 
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   {2012.0356, 0.37163636, "Meta"} -> {{241269, 248120, 242348}, {"", ""}}, 
   {760.5129, 0.37200004, "Meta"} -> {{53321, 57217, 54521}, {"", ""}}, 
   {1930.0293, 0.37155885, "Meta"} -> {{118321, 119703, 111531}, {"", ""}}, 
   {1766.0236, 0.37175757, "Meta"} -> {{156597, 160332, 151806}, {"", ""}}, 
   {1438.0165, 0.37166667, "Meta"} -> {{211018, 206686, 194640}, {"", ""}}, 
   {1602.032, 0.37169698, "Meta"} -> {{204591, 209096, 201527}, {"", ""}}, 
   {2258.056, 0.37132356, "Meta"} -> {{51135, 48223, 45467}, {"", ""}}, 
   {2340.0415, 0.3715, "Meta"} -> {{72299, 66642, 61993}, {"", ""}}, 
   {1617.9949, 0.37353334, "Meta"} -> {{55327, 47765, 53373}, {"", ""}}, 
   {842.0098, 0.37212902, "Meta"} -> {{485294, 488487, 470304}, {"", ""}}, 
   {596.003, 0.3728823, "Meta"} -> {{1562677, 1599552, 1530560}, {"", ""}}, 
   {431.9965, 0.37666664, "Meta"} -> {{2929916, 2969179, 2891944}, {"", ""}}, 
   {1781.9979, 0.37309682, "Meta"} -> {{42771, 43435, 39788}, {"", ""}}, 
   {514.0034, 0.37308568, "Meta"} -> {{3010295, 3081059, 2987598}, {"", ""}}, 
   {267.9908, 0.3730278, "Meta"} -> {{5822924, 5815338, 5468636}, {"", ""}}, 
   {2110.02, 0.37291667, "Meta"} -> {{20234, 22180, 23515}, {"", ""}}, 
   {1535.9908, 0.37340006, "Meta"} -> {{48464, 46347, 48630}, {"", ""}}, 
   {1371.9957, 0.3735173, "Meta"} -> {{43901, 39710, 37493}, {"", ""}}, 
   {1864.011, 0.3730323, "Meta"} -> {{38736, 39801, 35882}, {"", ""}}, 
   {1699.9985, 0.3731875, "Meta"} -> {{45662, 44232, 46547}, {"", ""}}, 
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   {365.97, 0.37485716, "Meta"} -> {{149405, 152742, 150631}, {"", ""}}, 
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   {529.9721, 0.37509674, "Meta"} -> {{228491, 240348, 229769}, {"", ""}}, 
   {283.9663, 0.37641668, "Meta"} -> {{321967, 320958, 313116}, {"", ""}}, 
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   {775.9853, 0.37764287, "Meta"} -> {{69711, 67712, 66489}, {"", ""}}, 
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   {1331.9816, 0.38222224, "Meta"} -> {{45364, 44584, 1}, {"", ""}}, 
   {1495.995, 0.38175866, "Meta"} -> {{45125, 45041, 1}, {"", ""}}, 
   {1249.9858, 0.38258335, "Meta"} -> {{45416, 45567, 45617}, {"", ""}}, 
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   {571.9606, 0.3881667, "Meta"} -> {{199788, 195314, 196777}, {"", ""}}, 
   {489.9575, 0.38891178, "Meta"} -> {{287748, 286114, 273769}, {"", ""}}, 
   {407.9539, 0.38981822, "Meta"} -> {{342157, 342513, 326887}, {"", ""}}, 
   {325.9501, 0.3924723, "Meta"} -> {{256940, 241582, 236092}, {"", ""}}, 
   {465.9127, 0.39305556, "Meta"} -> {{213986, 212070, 206033}, {"", ""}}, 
   {259.9214, 0.39474198, "Meta"} -> {{147297, 154387, 152393}, {"", ""}}, 
   {605.8735, 0.39525005, "Meta"} -> {{110130, 110834, 100251}, {"", ""}}, 
   {243.9473, 0.3973611, "Meta"} -> {{1318971, 1303593, 1296206}, {"", ""}}, 
   {383.9092, 0.39772224, "Meta"} -> {{240134, 240010, 227523}, {"", ""}}, 
   {523.872, 0.3975429, "Meta"} -> {{153876, 143996, 137817}, {"", ""}}, 
   {581.8306, 0.40027776, "Meta"} -> {{134199, 136027, 118607}, {"", ""}}, 
   {639.7888, 0.40351427, "Meta"} -> {{109358, 1, 92683}, {"", ""}}, 
   {441.8685, 0.4018334, "Meta"} -> {{234191, 217630, 211307}, {"", ""}}, 
   {697.7475, 0.40715998, "Meta"} -> {{1, 1, 91325}, {"", ""}}, 
   {499.8273, 0.40608332, "Meta"} -> {{182106, 177235, 166102}, {"", ""}}, 
   {615.7448, 0.40847063, "Meta"} -> {{145194, 138779, 73708}, {"", ""}}, 
   {301.9058, 0.40786114, "Meta"} -> {{275793, 253744, 249764}, {"", ""}}, 
   {673.7031, 0.41129026, "Meta"} -> {{103113, 102619, 96963}, {"", ""}}, 
   {359.8649, 0.41030556, "Meta"} -> {{198339, 191498, 193573}, {"", ""}}, 
   {417.8229, 0.4105714, "Meta"} -> {{227633, 225166, 208555}, {"", ""}}, 
   {755.7073, 0.41121435, "Meta"} -> {{67105, 63790, 64438}, {"", ""}}, 
   {475.7822, 0.41099995, "Meta"} -> {{164518, 167025, 159259}, {"", ""}}, 
   {575.7568, 0.41006452, "Meta"} -> {{30515, 16257, 20447}, {"", ""}}, 
   {219.9025, 0.4121111, "Meta"} -> {{490596, 485177, 481067}, {"", ""}}, 
   {651.6545, 0.41184002, "Meta"} -> {{65660, 62469, 1}, 
     {"Cer(d18:0/24:0) [ C42 H85 N O3, db=58.22, overall=29.11, Lipid \
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    {{1, 94371, 70785}, {"", ""}}, {277.8617, 0.41355553, "Meta"} -> 
    {{277420, 257049, 258605}, {"", ""}}, {161.944, 0.4130858, "Meta"} -> 
    {{266718, 246817, 232905}, {"", ""}}, {607.0989, 0.41675, "Meta"} -> 
    {{20190, 12901, 28204}, {"", ""}}, {525.0954, 0.41841662, "Meta"} -> 
    {{47265, 29588, 64458}, {"Sertraline Carbamic acid glucuronide [ C24 H25 \
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      "119733-44-7"}}, {377.0618, 0.41700003, "Meta"} -> 
    {{1, 1, 27742}, {"", ""}}, {295.0595, 0.42075, "Meta"} -> 
    {{141204, 81555, 222989}, {"5-Aminoimidazole ribonucleotide [ C8 H14 N3 \
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   {361.0891, 0.4204722, "Meta"} -> {{258889, 156412, 397512}, 
     {"His Cys Cys [ C12 H19 N5 O4 S2, db=74.60, overall=37.30 ]", ""}}, 
   {443.0923, 0.42244443, "Meta"} -> {{53922, 31859, 80823}, {"", ""}}, 
   {536.1894, 0.42578793, "Meta"} -> {{35075, 1, 108027}, {"", ""}}, 
   {342.008, 0.44034287, "Meta"} -> {{46282, 55458, 41548}, {"", ""}}, 
   {279.085, 0.43405554, "Meta"} -> {{1205544, 539712, 2180607}, {"", ""}}, 
   {284.0491, 0.4420606, "Meta"} -> {{53916, 1, 52387}, {"", ""}}, 
   {103.0999, 0.44377777, "Meta"} -> {{153132, 71767, 332422}, {"", ""}}, 
   {481.9704, 0.44212005, "Meta"} -> {{9086, 7951, 1}, {"", ""}}, 
   {183.0875, 0.44372222, "Meta"} -> {{375437, 401859, 327807}, {"", ""}}, 
   {224.0281, 0.4447647, "Meta"} -> {{122451, 1, 111390}, 
     {"Cys Cys [ C6 H12 N2 O3 S2, db=64.23, overall=32.11 ]", ""}}, 
   {457.0211, 0.45377782, "Meta"} -> {{11411, 1, 1}, {"", ""}}, 
   {135.0411, 0.4499394, "Meta"} -> {{1, 655401, 633105}, {"", ""}}, 
   {262.078, 0.45158333, "Meta"} -> {{343591, 325277, 305539}, 
     {"Asp Glu [ C9 H14 N2 O7, db=81.80, overall=40.90 ]", ""}}, 
   {202.0446, 0.45386112, "Meta"} -> {{6950882, 6509974, 6380885}, {"", ""}}, 
   {159.0275, 0.45163885, "Meta"} -> {{90483, 79002, 81191}, {"", ""}}, 
   {220.1785, 0.4556666, "Meta"} -> {{145898, 132318, 161606}, {"", ""}}, 
   {404.092, 0.45348275, "Meta"} -> {{41748, 33506, 1}, {"", ""}}, 
   {315.1044, 0.4536389, "Meta"} -> {{255698, 256247, 201484}, {"", ""}}, 
   {320.036, 0.4549231, "Meta"} -> {{29528, 1, 1}, {"", ""}}, 
   {382.1086, 0.45669445, "Meta"} -> {{2517176, 2397839, 2077319}, {"", ""}}, 
   {396.1638, 0.4501666, "Meta"} -> {{1, 1, 21244}, 
     {"Asn Tyr Thr [ C17 H24 N4 O7, db=83.05, overall=41.53 ]", ""}}, 
   {113.059, 0.45647225, "Meta"} -> {{1087251, 405179, 528152}, 
     {"Creatinine [ C4 H7 N3 O, db=69.36, overall=34.68, KEGG ID=C00791, CAS \
ID=60-27-5 ]", "60-27-5"}}, {339.0908, 0.4577187, "Meta"} -> 
    {{22382, 20526, 19934}, 
     {"Cys Ser Met [ C11 H21 N3 O5 S2, db=57.09, overall=28.54 ]", ""}}, 
   {337.0433, 0.45780003, "Meta"} -> {{142387, 53343, 306862}, 
     {"Famotidine [ C8 H15 N7 O2 S3, db=57.43, overall=28.71, KEGG ID=C06994, \
CAS ID=76824-35-6 ]", "76824-35-6"}}, {114.0292, 0.45835483, "Meta"} -> 
    {{1, 1, 133672}, {"", ""}}, {174.1111, 0.46506065, "Meta"} -> 
    {{99303, 87455, 82851}, {"Arginine [ C6 H14 N4 O2, db=51.57, \
overall=25.79, KEGG ID=C00062, CAS ID=74-79-3 ]", "74-79-3"}}, 
   {131.0692, 0.46048486, "Meta"} -> {{550173, 587971, 522093}, 
     {"Creatine [ C4 H9 N3 O2, db=99.16, overall=49.58, KEGG ID=C00300, CAS \
ID=6020-87-7 ]", "6020-87-7"}}, {317.9624, 0.46102777, "Meta"} -> 
    {{199269, 196478, 185728}, {"", ""}}, {260.0039, 0.4610556, "Meta"} -> 
    {{524971, 525652, 507279}, {"", ""}}, {139.0609, 0.45847225, "Meta"} -> 
    {{1274029, 1140221, 1128741}, {"", ""}}, 
   {375.9207, 0.46166673, "Meta"} -> {{156458, 151399, 143348}, {"", ""}}, 
   {498.0259, 0.46341926, "Meta"} -> {{35544, 35262, 30733}, {"", ""}}, 
   {161.1053, 0.46408334, "Meta"} -> {{2048937, 1949644, 1811679}, {"", ""}}, 
   {366.1134, 0.4641667, "Meta"} -> {{63123, 58991, 54069}, {"", ""}}, 
   {440.0675, 0.46469444, "Meta"} -> {{124098, 124399, 116871}, {"", ""}}, 
   {175.0959, 0.4649032, "Meta"} -> {{47951, 31405, 1}, 
     {"Citrulline [ C6 H13 N3 O3, db=47.39, overall=23.69, KEGG ID=C00327, \
CAS ID=372-75-8 ]", "372-75-8"}}, {115.0636, 0.4639722, "Meta"} -> 
    {{1419438, 1355073, 1308257}, {"Proline [ C5 H9 N O2, db=87.30, \
overall=43.65, KEGG ID=C00148, CAS ID=147-85-3 ]", "147-85-3"}}, 
   {256.1436, 0.4642592, "Meta"} -> {{1, 1, 152028}, {"", ""}}, 
   {399.0646, 0.4658, "Meta"} -> {{44693, 40606, 37683}, {"", ""}}, 
   {192.1473, 0.46303123, "Meta"} -> {{129373, 133412, 115589}, {"", ""}}, 
   {341.1066, 0.46715382, "Meta"} -> {{41688, 34259, 36819}, 
     {"Tyr Cys Gly [ C14 H19 N3 O5 S, db=77.47, overall=38.73 ]", ""}}, 
   {248.1483, 0.46862853, "Meta"} -> {{97008, 92038, 86529}, {"", ""}}, 
   {159.1256, 0.47108328, "Meta"} -> {{304131, 286402, 263761}, 
     {"DL-2-Aminooctanoic acid [ C8 H17 N O2, db=86.92, overall=43.46, HMP \
ID=HMDB00991, KEGG ID= ]", ""}}, {60.0325, 0.47265622, "Meta"} -> 
    {{576993, 1, 345108}, {"Urea [ C H4 N2 O, db=87.80, overall=43.90, KEGG \
ID=C00086, CAS ID=57-13-6 ]", "57-13-6"}}, {297.1425, 0.47046667, "Meta"} -> 
    {{249655, 226708, 218591}, 
     {"Ala His Ala [ C12 H19 N5 O4, db=91.10, overall=45.55 ]", ""}}, 
   {117.0784, 0.47286117, "Meta"} -> {{6917455, 6134777, 5700269}, 
     {"5-Aminopentanoic acid [ C5 H11 N O2, db=96.95, overall=48.48, HMP \
ID=HMDB03355, KEGG ID= ]", ""}}, {222.0852, 0.47502783, "Meta"} -> 
    {{85109, 89739, 65639}, {"", ""}}, {302.184, 0.47386664, "Meta"} -> 
    {{35315, 34762, 30413}, {"", ""}}, {240.0955, 0.47499996, "Meta"} -> 
    {{68553, 65843, 63699}, {"", ""}}, {143.0945, 0.4738333, "Meta"} -> 
    {{572403, 528168, 574161}, {"Triparanol [ C7 H13 N O2, db=69.83, \
overall=34.92, HMP ID=HMDB01378, KEGG ID= ]", ""}}, 
   {228.1473, 0.47896966, "Meta"} -> {{329211, 329793, 299291}, 
     {"Leu Pro [ C11 H20 N2 O3, db=61.48, overall=30.74 ]", ""}}, 
   {257.1031, 0.48044443, "Meta"} -> {{692723, 248028, 1391130}, 
     {"5-Methylcytidine [ C10 H15 N3 O5, db=85.28, overall=42.64, HMP \
ID=HMDB00982, KEGG ID=, CAS ID=2140-61-6 ]", "2140-61-6"}}, 
   {71.074, 0.48255876, "Meta"} -> {{1066457, 1, 937054}, {"", ""}}, 
   {157.1101, 0.4915172, "Meta"} -> {{65539, 28784, 60617}, 
     {"Tranexamic acid [ C8 H15 N O2, db=82.75, overall=41.37, KEGG \
ID=C12535, CAS ID=1197-18-8 ]", "1197-18-8"}}, 
   {144.042, 0.48648572, "Meta"} -> {{113900, 108767, 101458}, 
     {"(E)-2-Methylglutaconic acid [ C6 H8 O4, db=81.83, overall=40.91, HMP \
ID=HMDB02266, KEGG ID= ]", ""}}, {240.1471, 0.48564285, "Meta"} -> 
    {{40445, 38300, 40412}, {"", ""}}, {162.0524, 0.48472, "Meta"} -> 
    {{1, 1, 1}, {"2-Hydroxyadipic acid [ C6 H10 O5, db=74.88, overall=37.44, \
HMP ID=HMDB00321, KEGG ID= ]", ""}}, {307.0891, 0.4947, "Meta"} -> 
    {{25488, 22636, 1}, {"Succinyllipoic acid [ C12 H21 N O4 S2, db=34.62, \
overall=17.31, HMP ID=HMDB01012, KEGG ID= ]", ""}}, 
   {247.9688, 0.49561107, "Meta"} -> {{194454, 116519, 161664}, {"", ""}}, 
   {198.0384, 0.50133336, "Meta"} -> {{1, 139132, 162875}, {"", ""}}, 
   {168.0283, 0.50608325, "Meta"} -> {{1504875, 1680497, 1629424}, 
     {"Uric acid [ C5 H4 N4 O3, db=97.37, overall=48.69, KEGG ID=C00366, CAS \
ID=69-93-2 ]", "69-93-2"}}, {191.0248, 0.5051143, "Meta"} -> 
    {{215575, 124232, 170708}, {"", ""}}, {348.0916, 0.5082572, "Meta"} -> 
    {{105778, 90225, 1}, {"", ""}}, {280.0422, 0.50655884, "Meta"} -> 
    {{45224, 46596, 34728}, {"", ""}}, {133.9952, 0.5028, "Meta"} -> 
    {{289317, 253397, 261101}, {"", ""}}, {129.0423, 0.50794446, "Meta"} -> 
    {{407810, 440509, 332027}, {"Pyroglutamic acid [ C5 H7 N O3, db=86.82, \
overall=43.41, KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {309.1056, 0.5132, "Meta"} -> {{31494, 30639, 40903}, 
     {"N-Acetyl-a-neuraminic acid [ C11 H19 N O9, db=51.18, overall=25.59, \
HMP ID=HMDB00773, KEGG ID= ]", ""}}, {548.0497, 0.5119356, "Meta"} -> 
    {{32304, 25049, 1}, {"", ""}}, {112.0135, 0.51612, "Meta"} -> 
    {{993378, 883236, 1}, {"", ""}}, {396.0151, 0.5267038, "Meta"} -> 
    {{28536, 45099, 1}, {"", ""}}, {393.0659, 0.53931427, "Meta"} -> 
    {{76448, 48250, 66783}, {"5-Hydroxythiabendazole glucuronide [ C16 H15 N3 \
O7 S, db=55.85, overall=27.93, KEGG ID=, CAS ID=6801-82-7 ]", "6801-82-7"}}, 
   {185.1047, 0.54106057, "Meta"} -> {{91161, 28498, 79782}, 
     {"Ecgonine [ C9 H15 N O3, db=82.32, overall=41.16, KEGG ID=, CAS \
ID=481-37-8 ]", "481-37-8"}}, {159.068, 0.54042304, "Meta"} -> 
    {{55310, 32149, 50581}, {"Indoleacetaldehyde [ C10 H9 N O, db=55.69, \
overall=27.85, HMP ID=HMDB01190, KEGG ID= ]", ""}}, 
   {132.0244, 0.54202855, "Meta"} -> {{136117, 109651, 120805}, {"", ""}}, 
   {149.0507, 0.54125, "Meta"} -> {{1300298, 1066755, 1176348}, 
     {"Methionine [ C5 H11 N O2 S, db=99.04, overall=49.52, KEGG ID=C00073, \
CAS ID=63-68-3 ]", "63-68-3"}}, {279.1315, 0.54772216, "Meta"} -> 
    {{417397, 241591, 148232}, {"", ""}}, {164.047, 0.5517223, "Meta"} -> 
    {{226995, 226873, 208702}, {"p-Coumaric acid [ C9 H8 O3, db=86.35, \
overall=43.17, KEGG ID=, CAS ID=7400-08-0 ]", "7400-08-0"}}, 
   {181.0737, 0.5518889, "Meta"} -> {{2726132, 2541113, 2526025}, 
     {"Tyrosine [ C9 H11 N O3, db=99.43, overall=49.71, KEGG ID=C00082, CAS \
ID=60-18-4 ]", "60-18-4"}}, {122.0354, 0.55100006, "Meta"} -> 
    {{195697, 223357, 309404}, {"", ""}}, {321.1047, 0.5580909, "Meta"} -> 
    {{83130, 93377, 74099}, {"", ""}}, {311.1578, 0.55884373, "Meta"} -> 
    {{434057, 1, 313574}, 
     {"Gly Val His [ C13 H21 N5 O4, db=80.96, overall=40.48 ]", ""}}, 
   {131.0946, 0.5592222, "Meta"} -> {{2.84*^7, 2.73*^7, 2.63*^7}, 
     {"Leucine [ C6 H13 N O2, db=99.82, overall=49.91, KEGG ID=C00123, CAS \
ID=61-90-5 ]", "61-90-5"}}, {85.0889, 0.5585, "Meta"} -> 
    {{3443996, 3182293, 3281801}, {"", ""}}, 
   {175.0582, 0.55870366, "Meta"} -> {{142689, 1, 199085}, 
     {"Guanidinosuccinic Acid [ C5 H9 N3 O4, db=74.59, overall=37.29, KEGG \
ID=C03139, CAS ID=6133-30-8 ]", "6133-30-8"}}, 
   {230.0767, 0.58708334, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {124.0136, 0.573853, "Meta"} -> {{1, 1, 128036}, {"", ""}}, 
   {262.1892, 0.5915186, "Meta"} -> {{146945, 131193, 137496}, {"", ""}}, 
   {315.1291, 0.6577931, "Meta"} -> {{97164, 52688, 40404}, {"", ""}}, 
   {181.0738, 0.63259375, "Meta"} -> {{1544458, 1195354, 1530424}, 
     {"Tyrosine [ C9 H11 N O3, db=99.69, overall=49.85, KEGG ID=C00082, CAS \
ID=60-18-4 ]", "60-18-4"}}, {321.1046, 0.64432, "Meta"} -> 
    {{74757, 44539, 1}, {"", ""}}, {262.1526, 0.64625, "Meta"} -> 
    {{32036, 21103, 24319}, {"", ""}}, {85.0891, 0.65061104, "Meta"} -> 
    {{4358715, 3444386, 3683488}, {"", ""}}, 
   {131.0943, 0.65075004, "Meta"} -> {{3.23*^7, 2.6*^7, 2.92*^7}, 
     {"Leucine [ C6 H13 N O2, db=98.20, overall=49.10, KEGG ID=C00123, CAS \
ID=61-90-5 ]", "61-90-5"}}, {184.0232, 0.6469033, "Meta"} -> 
    {{500390, 531456, 722354}, {"", ""}}, {396.0152, 0.65655553, "Meta"} -> 
    {{53914, 54615, 56793}, {"", ""}}, {198.0385, 0.6591563, "Meta"} -> 
    {{74341, 78051, 90448}, {"", ""}}, {366.1426, 0.73793095, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {564.0432, 0.6553846, "Meta"} -> 
    {{1, 21199, 25006}, {"", ""}}, {168.0284, 0.66358334, "Meta"} -> 
    {{2792081, 2553071, 3214181}, {"Uric acid [ C5 H4 N4 O3, db=99.35, \
overall=49.68, KEGG ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, 
   {352.0513, 0.6635001, "Meta"} -> {{109248, 108093, 118256}, {"", ""}}, 
   {191.0249, 0.6656572, "Meta"} -> {{601273, 451015, 499312}, {"", ""}}, 
   {176.0948, 0.66323525, "Meta"} -> {{63496, 57674, 80945}, 
     {"Serotonin [ C10 H12 N2 O, db=81.86, overall=40.93, KEGG ID=C00780, CAS \
ID=50-67-9 ]", "50-67-9"}}, {343.1261, 0.6673332, "Meta"} -> 
    {{79068, 38539, 44730}, {"b-D-Glucopyranosiduronic acid [ C15 H21 N O8, \
db=84.47, overall=42.23, KEGG ID=, CAS ID=33150-82-2 ]", "33150-82-2"}}, 
   {159.0679, 0.6692903, "Meta"} -> {{73529, 55727, 60464}, 
     {"Indoleacetaldehyde [ C10 H9 N O, db=58.61, overall=29.30, HMP \
ID=HMDB01190, KEGG ID= ]", ""}}, {542.0351, 0.6685769, "Meta"} -> 
    {{26580, 19343, 27910}, {"cefonicid [ C18 H18 N6 O8 S3, db=52.28, \
overall=26.14, KEGG ID=, CAS ID= ]", ""}}, {267.1331, 0.6696945, "Meta"} -> 
    {{146887, 108527, 100726}, {"", ""}}, {346.076, 0.6595, "Meta"} -> 
    {{29934, 1, 1}, {"", ""}}, {366.0667, 0.6683939, "Meta"} -> 
    {{34219, 28903, 29544}, {"", ""}}, {348.0913, 0.6686563, "Meta"} -> 
    {{61800, 1, 46682}, {"", ""}}, {478.0537, 0.6733429, "Meta"} -> 
    {{38706, 36825, 38168}, {"", ""}}, {129.0423, 0.67652774, "Meta"} -> 
    {{403011, 422181, 578242}, {"Pyroglutamic acid [ C5 H7 N O3, db=60.99, \
overall=30.50, KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {297.0706, 0.67399997, "Meta"} -> {{13923, 20067, 24672}, {"", ""}}, 
   {414.0701, 0.68071425, "Meta"} -> {{17071, 21036, 20395}, {"", ""}}, 
   {104.0473, 0.7109601, "Meta"} -> {{59942, 1478242, 94825}, 
     {"a-hydroxybutyrate [ C4 H8 O3, db=87.83, overall=43.92, KEGG ID=, CAS \
ID= ]", ""}}, {293.1474, 0.70211107, "Meta"} -> {{2346033, 1347550, 1122756}, 
     {"", ""}}, {124.0136, 0.698871, "Meta"} -> {{98908, 1, 141768}, 
     {"", ""}}, {244.0693, 0.69808567, "Meta"} -> {{91439, 44678, 90763}, 
     {"Uridine [ C9 H12 N2 O6, db=80.06, overall=40.03, KEGG ID=C00299, CAS \
ID=58-96-8 ]", "58-96-8"}}, {228.1472, 0.70621204, "Meta"} -> 
    {{335351, 253627, 270814}, 
     {"Leu Pro [ C11 H20 N2 O3, db=86.33, overall=43.17 ]", ""}}, 
   {246.1213, 0.72223526, "Meta"} -> {{73524, 51233, 61652}, 
     {"Ile Asp [ C10 H18 N2 O5, db=79.46, overall=39.73 ]", ""}}, 
   {126.0292, 0.7198077, "Meta"} -> {{1622345, 1, 1531194}, {"", ""}}, 
   {347.9839, 0.72131026, "Meta"} -> {{1, 57615, 46002}, {"", ""}}, 
   {252.1109, 0.7333571, "Meta"} -> {{155454, 140458, 146809}, 
     {"Tyr Ala [ C12 H16 N2 O4, db=96.68, overall=48.34 ]", ""}}, 
   {338.0838, 0.75042427, "Meta"} -> {{144995, 126790, 57095}, {"", ""}}, 
   {148.0112, 0.75524235, "Meta"} -> {{160764, 146874, 1}, {"", ""}}, 
   {136.0384, 0.7559166, "Meta"} -> {{2354706, 2831457, 2297538}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=95.18, overall=47.59, KEGG ID=C00262, \
CAS ID=68-94-0 ]", "68-94-0"}}, {277.0016, 0.76956004, "Meta"} -> 
    {{1, 1, 106421}, {"", ""}}, {161.0507, 0.7749999, "Meta"} -> 
    {{677480, 6414697, 252767}, {"", ""}}, {301.1176, 0.832861, "Meta"} -> 
    {{61830, 63173, 56747}, {"", ""}}, {263.0468, 0.8569698, "Meta"} -> 
    {{1, 34186, 41542}, {"Normetanephrine sulfate [ C9 H13 N O6 S, db=62.13, \
overall=31.07, KEGG ID=, CAS ID=1215-29-8 ]", "1215-29-8"}}, 
   {427.2543, 0.88016677, "Meta"} -> {{93433, 24844, 86305}, {"", ""}}, 
   {533.1839, 0.8766785, "Meta"} -> {{25347, 34258, 43138}, {"", ""}}, 
   {208.0844, 0.8729697, "Meta"} -> {{807626, 707593, 747084}, 
     {"Kynurenine [ C10 H12 N2 O3, db=98.79, overall=49.40, KEGG ID=C00328, \
CAS ID=343-65-7 ]", "343-65-7"}}, {310.1159, 0.87493944, "Meta"} -> 
    {{72506, 36510, 42390}, 
     {"Tyr Glu [ C14 H18 N2 O6, db=80.16, overall=40.08 ]", ""}}, 
   {130.0417, 0.889875, "Meta"} -> {{341336, 320949, 346944}, {"", ""}}, 
   {119.0736, 0.8910293, "Meta"} -> {{7717718, 7095823, 7223997}, {"", ""}}, 
   {165.0784, 0.88927776, "Meta"} -> {{4.21*^7, 3.85*^7, 3.98*^7}, 
     {"2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, db=96.07, \
overall=48.03, KEGG ID=, CAS ID=18259-42-2 ]", "18259-42-2"}}, 
   {102.047, 0.8869601, "Meta"} -> {{76575, 25147, 1}, {"", ""}}, 
   {268.0808, 0.88524127, "Meta"} -> {{1, 1, 42858}, 
     {"Inosine [ C10 H12 N4 O5, db=85.71, overall=42.86, KEGG ID=C00294, CAS \
ID=58-63-9 ]", "58-63-9"}}, {518.1942, 0.9226364, "Meta"} -> 
    {{31819, 29291, 29634}, {"Gossypol [ C30 H30 O8, db=74.85, overall=37.42, \
Lipid ID=LMPR01030019, KEGG ID=C07667 ]", ""}}, 
   {359.1316, 0.92291445, "Meta"} -> {{46161, 35409, 39678}, 
     {"Asp Glu Pro [ C14 H21 N3 O8, db=49.24, overall=24.62 ]", ""}}, 
   {358.1738, 0.921639, "Meta"} -> {{54020, 44170, 45365}, {"", ""}}, 
   {315.1679, 0.92541665, "Meta"} -> {{4219824, 3373884, 3555158}, {"", ""}}, 
   {246.1213, 0.9403793, "Meta"} -> {{51927, 58106, 59898}, 
     {"Ile Asp [ C10 H18 N2 O5, db=75.39, overall=37.69 ]", ""}}, 
   {348.1567, 0.99688005, "Meta"} -> {{1, 156567, 167846}, 
     {"Ala Arg Cys [ C12 H24 N6 O4 S, db=90.69, overall=45.35 ]", ""}}, 
   {150.0887, 1.0149167, "Meta"} -> {{8260712, 7490937, 8220076}, {"", ""}}, 
   {380.1186, 1.0151613, "Meta"} -> {{153565, 127417, 127221}, 
     {"Cys Gln Met [ C13 H24 N4 O5 S2, db=70.63, overall=35.32 ]", ""}}, 
   {88.0527, 1.0138214, "Meta"} -> {{1, 863349, 925919}, 
     {"Acetoin [ C4 H8 O2, db=98.92, overall=49.46, KEGG ID=C00810, CAS \
ID=513-86-0 ]", "513-86-0"}}, {132.0785, 1.0133704, "Meta"} -> 
    {{316220, 308731, 346152}, {"2-Hydroxy-4-methylvaleric acid [ C6 H12 O3, \
db=96.66, overall=48.33, KEGG ID=, CAS ID=13748-90-8 ]", "13748-90-8"}}, 
   {248.0572, 1.018941, "Meta"} -> {{769245, 1, 1}, 
     {"Pyridoxamine Phosphate [ C8 H13 N2 O5 P, db=92.97, overall=46.48, KEGG \
ID=C00647, CAS ID=529-96-4 ]", "529-96-4"}}, {264.0292, 1.0199355, "Meta"} -> 
    {{246448, 269009, 235747}, {"(3-Methoxy-4-hydroxyphenyl)ethylene glycol \
sulfate [ C9 H12 O7 S, db=58.12, overall=29.06, KEGG ID=, CAS ID=3415-67-6 ]"\
, "3415-67-6"}}, {239.9853, 1.04124, "Meta"} -> {{30118, 34369, 39136}, 
     {"", ""}}, {210.1212, 1.0249231, "Meta"} -> {{1, 284079, 318112}, 
     {"", ""}}, {338.1254, 1.0379394, "Meta"} -> {{503682, 465227, 522841}, 
     {"", ""}}, {353.0898, 1.0451715, "Meta"} -> {{224601, 183414, 237649}, 
     {"Acenocoumarol [ C19 H15 N O6, db=85.70, overall=42.85, KEGG ID=, CAS \
ID=152-72-7 ]", "152-72-7"}}, {327.1318, 1.0948066, "Meta"} -> 
    {{469660, 306274, 248150}, {"", ""}}, {231.1472, 1.1548711, "Meta"} -> 
    {{152103, 157130, 112473}, {"Isobutyryl carnitine [ C11 H21 N O4, \
db=82.39, overall=41.19, KEGG ID=, CAS ID=25518-49-4 ]", "25518-49-4"}}, 
   {354.1791, 1.2549354, "Meta"} -> {{499186, 406082, 1}, {"", ""}}, 
   {291.0178, 1.2728126, "Meta"} -> {{56990, 36464, 37216}, {"", ""}}, 
   {276.0544, 1.2674193, "Meta"} -> {{37087, 19812, 34903}, {"", ""}}, 
   {216.0308, 1.2762144, "Meta"} -> {{52609, 54860, 49637}, {"", ""}}, 
   {117.0578, 1.2811853, "Meta"} -> {{239789, 1, 141074}, 
     {"Indole [ C8 H7 N, db=70.72, overall=35.36, KEGG ID=C00463, CAS \
ID=120-72-9 ]", "120-72-9"}}, {204.0894, 1.2753054, "Meta"} -> 
    {{6.42*^7, 5.56*^7, 5.78*^7}, {"Tryptophan [ C11 H12 N2 O2, db=95.92, \
overall=47.96, KEGG ID=C00078, CAS ID=73-22-3 ]", "73-22-3"}}, 
   {187.0628, 1.2740554, "Meta"} -> {{1.56*^7, 1.39*^7, 1.41*^7}, 
     {"Indoleacrylic acid [ C11 H9 N O2, db=97.72, overall=48.86, HMP \
ID=HMDB00734, KEGG ID=, CAS ID=1204-06-4 ]", "1204-06-4"}}, 
   {650.2158, 1.2843436, "Meta"} -> {{71730, 65871, 60161}, {"", ""}}, 
   {302.0588, 1.2867241, "Meta"} -> {{122939, 81354, 1}, {"", ""}}, 
   {276.0543, 1.4092578, "Meta"} -> {{54499, 49773, 47411}, {"", ""}}, 
   {291.0175, 1.4124061, "Meta"} -> {{58741, 49770, 49237}, {"", ""}}, 
   {230.1631, 1.4211999, "Meta"} -> {{95511, 1, 88121}, 
     {"Leu Val [ C11 H22 N2 O3, db=83.67, overall=41.83 ]", ""}}, 
   {280.1058, 1.5567034, "Meta"} -> {{78809, 101110, 95239}, 
     {"Phe Asp [ C13 H16 N2 O5, db=70.05, overall=35.02 ]", ""}}, 
   {366.1426, 1.5676208, "Meta"} -> {{591536, 327335, 1}, {"", ""}}, 
   {157.11, 1.5776898, "Meta"} -> {{1, 54109, 57312}, 
     {"Tranexamic acid [ C8 H15 N O2, db=74.57, overall=37.29, KEGG \
ID=C12535, CAS ID=1197-18-8 ]", "1197-18-8"}}, 
   {219.1104, 1.6220001, "Meta"} -> {{34421, 50351, 42938}, 
     {"Pantothenic Acid [ C9 H17 N O5, db=55.18, overall=27.59, KEGG ID=, CAS \
ID=137-08-6 ]", "137-08-6"}}, {260.1369, 1.7801199, "Meta"} -> 
    {{194932, 1, 218766}, 
     {"Glu Leu [ C11 H20 N2 O5, db=77.86, overall=38.93 ]", ""}}, 
   {208.0161, 1.9748787, "Meta"} -> {{121730, 121738, 318386}, {"", ""}}, 
   {260.1368, 1.9889677, "Meta"} -> {{187475, 186719, 177927}, 
     {"Glu Leu [ C11 H20 N2 O5, db=90.71, overall=45.35 ]", ""}}, 
   {131.0368, 2.0663033, "Meta"} -> {{434397, 555904, 521966}, {"", ""}}, 
   {613.3187, 2.414278, "Meta"} -> {{167478, 135331, 164427}, {"", ""}}, 
   {294.1216, 2.470125, "Meta"} -> {{52036, 35338, 53379}, 
     {"Aspartame [ C14 H18 N2 O5, db=72.39, overall=36.19, HMP ID=HMDB01894, \
KEGG ID= ]", ""}}, {245.1627, 2.565185, "Meta"} -> 
    {{552191, 1, 449904}, {"2-Methylbutyroylcarnitine [ C12 H23 N O4, \
db=86.34, overall=43.17, HMP ID=HMDB00378, KEGG ID= ]", ""}}, 
   {246.1366, 2.6443236, "Meta"} -> {{340850, 326160, 340757}, {"", ""}}, 
   {159.1255, 2.8531144, "Meta"} -> {{260198, 218940, 231268}, 
     {"DL-2-Aminooctanoic acid [ C8 H17 N O2, db=83.22, overall=41.61, HMP \
ID=HMDB00991, KEGG ID= ]", ""}}, {294.2798, 2.8666072, "Meta"} -> 
    {{55965, 51176, 1}, {"", ""}}, {129.1512, 2.8755276, "Meta"} -> 
    {{1.33*^7, 7206689, 7445459}, {"", ""}}, {179.0578, 2.9460568, "Meta"} -> 
    {{1974922, 1742575, 1875529}, {"5,8-Dihydroxy-3,4-dihydrocarbostyril [ C9 \
H9 N O3, db=94.87, overall=47.43, KEGG ID=, CAS ID=59430-56-7 ]", 
      "59430-56-7"}}, {457.2172, 3.21976, "Meta"} -> 
    {{79988, 64332, 72301}, 
     {"Leu Tyr Tyr [ C24 H31 N3 O6, db=60.12, overall=30.06 ]", ""}}, 
   {113.0839, 3.4427686, "Meta"} -> {{1, 1, 118493}, {"", ""}}, 
   {457.2171, 3.449129, "Meta"} -> {{105825, 93342, 117911}, 
     {"Leu Tyr Tyr [ C24 H31 N3 O6, db=66.31, overall=33.16 ]", ""}}, 
   {353.0194, 3.4831946, "Meta"} -> {{100253, 79848, 78107}, 
     {"H 152/66 [ C16 H13 Cl2 N O4, db=34.19, overall=17.09, KEGG ID=, CAS \
ID=91854-02-3 ]", "91854-02-3"}}, {180.0646, 3.4828331, "Meta"} -> 
    {{1942453, 1719601, 1670743}, {"Paraxanthine [ C7 H8 N4 O2, db=97.04, \
overall=48.52, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {338.0584, 3.4828844, "Meta"} -> {{60726, 53931, 56952}, {"", ""}}, 
   {184.1207, 3.5528529, "Meta"} -> {{251673, 216417, 217161}, {"", ""}}, 
   {286.0929, 3.6669033, "Meta"} -> {{378202, 357333, 213188}, 
     {"5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin [ C15 H14 \
N2 O4, db=80.32, overall=40.16, KEGG ID=, CAS ID=28129-90-0 ]", 
      "28129-90-0"}}, {262.1315, 3.6955454, "Meta"} -> 
    {{1, 1, 70453}, {"Pro Phe [ C14 H18 N2 O3, db=79.05, overall=39.52 ]", 
      ""}}, {484.3516, 3.714577, "Meta"} -> {{1, 1, 86006}, 
     {"(22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimethyl-23,24-tetradehydro-\
20-epivitamin D3 / (22S)-1alph [ C31 H48 O4, db=68.14, overall=34.07, Lipid \
ID=LMST03020487, KEGG ID= ]", ""}}, {264.1109, 3.7114289, "Meta"} -> 
    {{1592479, 1440942, 1673653}, {"", ""}}, {300.9474, 3.7771254, "Meta"} -> 
    {{78182, 61307, 1}, {"", ""}}, {285.9843, 3.784971, "Meta"} -> 
    {{185584, 164875, 188529}, {"", ""}}, {406.0258, 3.779679, "Meta"} -> 
    {{98115, 85528, 97638}, {"", ""}}, {346.0054, 3.7820883, "Meta"} -> 
    {{397226, 325154, 343121}, {"", ""}}, {390.0608, 3.9207745, "Meta"} -> 
    {{46902, 37066, 35019}, {"", ""}}, {194.1056, 3.9298828, "Meta"} -> 
    {{87507, 1, 95333}, {"3-Hydroxy-N-glycyl-2,6-xylidine \
(3-Hydroxyglycinexylidide) [ C10 H14 N2 O2, db=79.20, overall=39.60, KEGG \
ID=, CAS ID=112606-87-8 ]", "112606-87-8"}}, {123.0431, 3.9404666, "Meta"} -> 
    {{70101, 66190, 65221}, {"Pyrazinamide [ C5 H5 N3 O, db=73.22, \
overall=36.61, KEGG ID=C01956, CAS ID=98-96-4 ]", "98-96-4"}}, 
   {180.0647, 3.9408891, "Meta"} -> {{3089440, 2574315, 2961712}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=98.66, overall=49.33, KEGG ID=, CAS \
ID=611-59-6 ]", "611-59-6"}}, {353.02, 3.9439723, "Meta"} -> 
    {{51352, 42164, 38390}, {"H 152/66 [ C16 H13 Cl2 N O4, db=40.19, \
overall=20.09, KEGG ID=, CAS ID=91854-02-3 ]", "91854-02-3"}}, 
   {338.06, 3.9440384, "Meta"} -> {{28932, 25102, 1}, 
     {"1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide (AICAR) [ C9 H15 \
N4 O8 P, db=56.82, overall=28.41, KEGG ID=C04677, CAS ID=3031-94-5 ]", 
      "3031-94-5"}}, {282.0003, 4.0873055, "Meta"} -> 
    {{273848, 224917, 232536}, {"", ""}}, {244.1785, 4.1058927, "Meta"} -> 
    {{1, 92057, 90682}, 
     {"Leu Leu [ C12 H24 N2 O3, db=80.30, overall=40.15 ]", ""}}, 
   {315.2042, 4.138722, "Meta"} -> {{148929, 112071, 360667}, {"", ""}}, 
   {180.0646, 4.184583, "Meta"} -> {{767119, 662202, 693605}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=96.10, overall=48.05, KEGG ID=, CAS \
ID=611-59-6 ]", "611-59-6"}}, {196.1205, 4.4604373, "Meta"} -> 
    {{38746, 28141, 36959}, {"", ""}}, {259.1781, 4.5265555, "Meta"} -> 
    {{45493, 56637, 17481}, {"L-Glutamic acid dibutyl ester [ C13 H25 N O4, \
db=69.80, overall=34.90, KEGG ID=, CAS ID=4261-76-1 ]", "4261-76-1"}}, 
   {278.1625, 4.5463552, "Meta"} -> {{1, 45671, 41274}, 
     {"Phe Leu [ C15 H22 N2 O3, db=77.05, overall=38.53 ]", ""}}, 
   {196.1206, 4.620389, "Meta"} -> {{90724, 70501, 85089}, {"", ""}}, 
   {145.0523, 4.6313715, "Meta"} -> {{145046, 152486, 155418}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=73.77, overall=36.88, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {221.0685, 4.632059, "Meta"} -> 
    {{49779, 41538, 47574}, {"5-Carboxymethoxy-3,4-dihydrocarbostyril [ C11 \
H11 N O4, db=64.45, overall=32.22, KEGG ID=, CAS ID=58898-50-3 ]", 
      "58898-50-3"}}, {399.1795, 4.9157567, "Meta"} -> 
    {{33489, 27735, 29339}, 
     {"Tyr Ala Phe [ C21 H25 N3 O5, db=71.49, overall=35.75 ]", ""}}, 
   {185.1049, 4.9669666, "Meta"} -> {{70413, 55164, 64947}, 
     {"Ecgonine [ C9 H15 N O3, db=77.31, overall=38.66, KEGG ID=, CAS \
ID=481-37-8 ]", "481-37-8"}}, {649.3074, 5.013072, "Meta"} -> 
    {{38410, 33089, 37134}, {"", ""}}, {278.163, 5.0759177, "Meta"} -> 
    {{356949, 326048, 330341}, 
     {"Phe Leu [ C15 H22 N2 O3, db=99.27, overall=49.64 ]", ""}}, 
   {535.2641, 5.1008615, "Meta"} -> {{110629, 96309, 100048}, {"", ""}}, 
   {904.4772, 5.3270283, "Meta"} -> {{1691823, 1461734, 1524392}, {"", ""}}, 
   {145.0523, 5.4314723, "Meta"} -> {{196739, 189556, 198771}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=84.42, overall=42.21, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {129.0576, 5.434444, "Meta"} -> 
    {{369018, 384586, 422307}, {"", ""}}, {273.0317, 5.4347143, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {175.0629, 5.4345837, "Meta"} -> 
    {{389746, 272607, 239476}, {"3-Indoleacetic Acid [ C10 H9 N O2, db=84.76, \
overall=42.38, KEGG ID=C00954, CAS ID=87-51-4 ]", "87-51-4"}}, 
   {163.063, 5.4345, "Meta"} -> {{30431, 1, 35358}, 
     {"p-Acetaminobenzaldehyde [ C9 H9 N O2, db=64.35, overall=32.17, KEGG \
ID=, CAS ID=122-85-0 ]", "122-85-0"}}, {317.1736, 5.4687505, "Meta"} -> 
    {{42516, 38724, 36739}, 
     {"Leu Trp [ C17 H23 N3 O3, db=81.63, overall=40.81 ]", ""}}, 
   {780.393, 5.47776, "Meta"} -> {{1, 1, 1}, {"25-O-Desacetylrifampin [ C41 \
H56 N4 O11, db=84.35, overall=42.18, KEGG ID=, CAS ID=16783-99-6 ]", 
      "16783-99-6"}}, {506.2009, 5.4841557, "Meta"} -> 
    {{80109, 66108, 69408}, {"", ""}}, {351.1581, 5.5261106, "Meta"} -> 
    {{471156, 381462, 378413}, 
     {"Trp Phe [ C20 H21 N3 O3, db=99.58, overall=49.79 ]", ""}}, 
   {462.2364, 5.543243, "Meta"} -> {{52164, 40104, 36677}, {"", ""}}, 
   {119.0735, 5.541345, "Meta"} -> {{261768, 228261, 241161}, {"", ""}}, 
   {312.1467, 5.5432773, "Meta"} -> {{1.07*^7, 9431783, 9691286}, 
     {"Phe Phe [ C18 H20 N2 O3, db=95.14, overall=47.57 ]", ""}}, 
   {112.0524, 5.5669603, "Meta"} -> {{26719, 28524, 19830}, 
     {"3,5-hexadienoic acid [ C6 H8 O2, db=60.24, overall=30.12, Lipid ID=, \
KEGG ID= ]", ""}}, {415.2207, 5.670666, "Meta"} -> 
    {{1, 17962, 17329}, 
     {"Phe Leu His [ C21 H29 N5 O4, db=66.52, overall=33.26 ]", ""}}, 
   {145.0523, 5.7114286, "Meta"} -> {{37591, 1, 36062}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=58.30, overall=29.15, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {470.2164, 5.740111, "Meta"} -> 
    {{93526, 85319, 78975}, {"", ""}}, {486.1287, 5.7655144, "Meta"} -> 
    {{39513, 29874, 32056}, {"", ""}}, {814.2692, 5.7653933, "Meta"} -> 
    {{27821, 20657, 26814}, {"", ""}}, {352.0723, 5.766555, "Meta"} -> 
    {{180968, 151304, 164100}, {"Griseofulvin [ C17 H17 Cl O6, db=62.45, \
overall=31.22, KEGG ID=C06686, CAS ID=126-07-8 ]", "126-07-8"}}, 
   {561.114, 5.765363, "Meta"} -> {{29990, 20646, 22017}, {"", ""}}, 
   {367.0347, 5.766611, "Meta"} -> {{188449, 138001, 127972}, 
     {"H 167/87 [ C17 H15 Cl2 N O4, db=30.19, overall=15.10, KEGG ID=, CAS \
ID=91854-01-2 ]", "91854-01-2"}}, {137.0587, 5.7666464, "Meta"} -> 
    {{158895, 142301, 166328}, {"Isoniazid [ C6 H7 N3 O, db=85.82, \
overall=42.91, KEGG ID=C07054, CAS ID=54-85-3 ]", "54-85-3"}}, 
   {680.2204, 5.7653627, "Meta"} -> {{37854, 31962, 32591}, {"", ""}}, 
   {194.0796, 5.7665, "Meta"} -> {{1.4*^7, 1.12*^7, 1.2*^7}, 
     {"D-Glucoside [ C7 H14 O6, db=97.63, overall=48.82, HMP ID=HMDB03570, \
KEGG ID= ]", ""}}, {292.0482, 5.7668047, "Meta"} -> 
    {{75675, 67204, 70612}, {"", ""}}, {427.0664, 5.7660594, "Meta"} -> 
    {{32164, 29471, 25381}, {"", ""}}, {308.021, 5.7663703, "Meta"} -> 
    {{28594, 22771, 1}, {"", ""}}, {336.0987, 5.766, "Meta"} -> 
    {{28277, 18988, 27207}, {"", ""}}, {339.0394, 5.7657404, "Meta"} -> 
    {{22512, 18000, 1}, {"", ""}}, {276.0943, 5.767443, "Meta"} -> 
    {{199658, 174509, 184514}, 
     {"Glu Glu [ C10 H16 N2 O7, db=91.86, overall=45.93 ]", ""}}, 
   {546.167, 5.766311, "Meta"} -> {{40449, 24651, 41242}, {"", ""}}, 
   {82.0146, 5.7676473, "Meta"} -> {{340792, 320139, 338596}, {"", ""}}, 
   {450.2112, 6.0146294, "Meta"} -> {{65767, 56496, 58423}, {"", ""}}, 
   {598.3831, 6.149971, "Meta"} -> {{65571, 56745, 57243}, {"", ""}}, 
   {210.1363, 6.1674, "Meta"} -> {{244423, 172451, 209292}, {"", ""}}, 
   {1076.5251, 6.1918607, "Meta"} -> {{713979, 646452, 620241}, {"", ""}}, 
   {285.1937, 6.2077217, "Meta"} -> {{231660, 280623, 76086}, {"", ""}}, 
   {413.1947, 6.402389, "Meta"} -> {{156475, 146105, 141999}, 
     {"Phe Phe Thr [ C22 H27 N3 O5, db=96.85, overall=48.42 ]", ""}}, 
   {210.1363, 6.4091425, "Meta"} -> {{137849, 112482, 91222}, {"", ""}}, 
   {171.1256, 6.4184237, "Meta"} -> {{364682, 364988, 1}, 
     {"Gabapentin [ C9 H17 N O2, db=89.41, overall=44.71, KEGG ID=C07018, CAS \
ID=60142-96-3 ]", "60142-96-3"}}, {225.134, 6.4274607, "Meta"} -> 
    {{103692, 1, 196401}, {"", ""}}, {464.2267, 6.4558063, "Meta"} -> 
    {{65844, 64225, 65572}, {"", ""}}, {636.2752, 6.4700866, "Meta"} -> 
    {{48819, 41881, 45079}, 
     {" [ C34 H40 N2 O10, db=0.00, overall=30.97, mfg=61.94 ]", ""}}, 
   {401.8564, 6.4737997, "Meta"} -> {{123868, 116755, 110190}, {"", ""}}, 
   {1205.5684, 6.4744167, "Meta"} -> {{1547048, 1592668, 1424741}, {"", ""}}, 
   {650.291, 6.4855704, "Meta"} -> {{63057, 67802, 67281}, {"", ""}}, 
   {1072.4163, 6.52011, "Meta"} -> {{72677, 66146, 57024}, {"", ""}}, 
   {1019.5046, 6.519862, "Meta"} -> {{3487495, 3227061, 3267242}, {"", ""}}, 
   {339.8352, 6.519917, "Meta"} -> {{93436, 82476, 84064}, {"", ""}}, 
   {370.2202, 6.5523853, "Meta"} -> {{22736, 15720, 1}, {"", ""}}, 
   {393.1896, 6.6016774, "Meta"} -> {{80715, 78187, 80222}, 
     {"Phe Leu Asp [ C19 H27 N3 O6, db=93.55, overall=46.78 ]", ""}}, 
   {1262.5898, 6.6459446, "Meta"} -> {{772729, 724375, 665739}, {"", ""}}, 
   {748.3746, 6.6664577, "Meta"} -> {{544874, 480359, 515639}, {"", ""}}, 
   {467.5117, 6.6833715, "Meta"} -> {{34301, 29151, 23812}, {"", ""}}, 
   {449.8743, 6.681861, "Meta"} -> {{131246, 138961, 124814}, {"", ""}}, 
   {1349.622, 6.682221, "Meta"} -> {{1193068, 1105470, 1036637}, {"", ""}}, 
   {462.5233, 6.6829696, "Meta"} -> {{60509, 61761, 63977}, {"", ""}}, 
   {467.8464, 6.68125, "Meta"} -> {{25374, 26186, 19245}, {"", ""}}, 
   {457.2013, 6.682588, "Meta"} -> {{27482, 28052, 23936}, {"", ""}}, 
   {1076.5258, 6.7304854, "Meta"} -> {{58416, 54622, 52922}, {"", ""}}, 
   {298.1418, 6.74896, "Meta"} -> {{1, 76680, 47398}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=73.54, overall=36.77, \
KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {1200.5566, 6.7732415, "Meta"} -> {{27055, 24590, 22972}, {"", ""}}, 
   {741.297, 6.7771387, "Meta"} -> {{115848, 104028, 129624}, {"", ""}}, 
   {189.0785, 6.956638, "Meta"} -> {{282313, 213769, 222570}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=94.09, overall=47.05, HMP \
ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {429.2361, 6.977999, "Meta"} -> {{53217, 53911, 43491}, 
     {"Pro Trp Lys [ C22 H31 N5 O4, db=90.19, overall=45.09 ]", ""}}, 
   {260.0935, 7.0326056, "Meta"} -> {{150410, 315683, 64103}, 
     {"Furafylline [ C12 H12 N4 O3, db=57.24, overall=28.62, KEGG ID=, CAS \
ID=80288-49-9 ]", "80288-49-9"}}, {179.1517, 7.0339313, "Meta"} -> 
    {{99668, 213239, 49819}, {"", ""}}, {162.1254, 7.032972, "Meta"} -> 
    {{3321214, 6866255, 1319794}, {"", ""}}, {386.884, 7.089772, "Meta"} -> 
    {{79252, 69623, 104679}, {"", ""}}, {339.9438, 7.090166, "Meta"} -> 
    {{124673, 99151, 130092}, {"", ""}}, {165.9783, 7.0914993, "Meta"} -> 
    {{1, 101783, 180204}, {"", ""}}, {324.978, 7.0900297, "Meta"} -> 
    {{29788, 32541, 53437}, {"", ""}}, {389.8912, 7.089734, "Meta"} -> 
    {{32554, 25502, 39030}, {"", ""}}, {554.8763, 7.0902586, "Meta"} -> 
    {{250459, 263288, 408126}, {"", ""}}, {590.8546, 7.090121, "Meta"} -> 
    {{1, 75666, 147911}, {"", ""}}, {166.9861, 7.0904727, "Meta"} -> 
    {{3653532, 3925213, 5800424}, {"", ""}}, {280.9265, 7.090501, "Meta"} -> 
    {{107622, 100003, 1}, {"", ""}}, {264.9547, 7.0911846, "Meta"} -> 
    {{15837, 16718, 30789}, {"", ""}}, {395.8936, 7.0915, "Meta"} -> 
    {{62597, 59182, 76204}, {"", ""}}, {431.8628, 7.0915837, "Meta"} -> 
    {{1, 25401, 29594}, {"", ""}}, {624.9684, 7.1091247, "Meta"} -> 
    {{1, 1, 14710}, {"", ""}}, {534.1705, 7.1183324, "Meta"} -> 
    {{13444, 9057, 9578}, {"", ""}}, {354.0646, 7.1213336, "Meta"} -> 
    {{48762, 40418, 44918}, {"", ""}}, {238.0838, 7.121195, "Meta"} -> 
    {{522119, 418421, 480668}, {"Propanoic acid, \
2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- [ C12 H14 O5, db=99.24, \
overall=49.62, KEGG ID=, CAS ID=53564-64-0 ]", "53564-64-0"}}, 
   {278.0763, 7.119251, "Meta"} -> {{267661, 226936, 260016}, {"", ""}}, 
   {351.0169, 7.127134, "Meta"} -> {{33822, 22003, 19950}, {"", ""}}, 
   {1560.7216, 7.157438, "Meta"} -> {{30659, 27681, 26104}, {"", ""}}, 
   {941.4612, 7.1827216, "Meta"} -> {{168877, 127658, 123137}, {"", ""}}, 
   {299.2095, 7.264514, "Meta"} -> {{39711, 39552, 32983}, {"", ""}}, 
   {270.1572, 7.337296, "Meta"} -> {{37552, 1, 1}, {"", ""}}, 
   {280.1885, 7.331959, "Meta"} -> {{1, 25050, 1}, {"", ""}}, 
   {361.1425, 7.353097, "Meta"} -> {{29540, 1, 34102}, 
     {"N-Acetylnorfloxacin [ C18 H20 F N3 O4, db=74.33, overall=37.17, KEGG \
ID=, CAS ID=74011-56-6 ]", "74011-56-6"}}, {309.194, 7.3625283, "Meta"} -> 
    {{118506, 127291, 61751}, {"Nadolol [ C17 H27 N O4, db=98.01, \
overall=49.00, KEGG ID=C07249, CAS ID=42200-33-9 ]", "42200-33-9"}}, 
   {920.4221, 7.436666, "Meta"} -> {{309903, 274181, 289372}, {"", ""}}, 
   {287.2094, 7.4803905, "Meta"} -> {{139979, 157859, 51288}, 
     {"O-octanoyl-R-carnitine [ C15 H29 N O4, db=84.96, overall=42.48, Lipid \
ID=, KEGG ID=C02838 ]", ""}}, {206.1518, 7.485084, "Meta"} -> 
    {{115489, 1, 1}, {"", ""}}, {174.0887, 7.533999, "Meta"} -> 
    {{610124, 933382, 390613}, {"2-Propylglutaric acid [ C8 H14 O4, db=96.02, \
overall=48.01, KEGG ID=, CAS ID=32806-62-5 ]", "32806-62-5"}}, 
   {142.0625, 7.5357056, "Meta"} -> {{147691, 237550, 103435}, 
     {"7-hydroxy-5-heptynoic acid [ C7 H10 O3, db=91.50, overall=45.75, Lipid \
ID=, KEGG ID= ]", ""}}, {833.3582, 7.620576, "Meta"} -> 
    {{46126, 57104, 59088}, {"", ""}}, {182.0914, 7.628904, "Meta"} -> 
    {{67263, 54460, 55233}, {"Dacarbazine [ C6 H10 N6 O, db=63.87, \
overall=31.94, KEGG ID=C06936, CAS ID=4342-03-4 ]", "3/4/42"}}, 
   {1389.6527, 7.619026, "Meta"} -> {{146205, 144085, 151839}, {"", ""}}, 
   {170.1415, 7.7676864, "Meta"} -> {{88925, 62177, 75560}, {"", ""}}, 
   {1193.519, 7.7542224, "Meta"} -> {{322127, 343057, 383170}, {"", ""}}, 
   {318.1216, 7.8365397, "Meta"} -> {{1, 1, 21468}, 
     {"Fluvoxamine acid [ C14 H17 F3 N2 O3, db=57.11, overall=28.55, KEGG \
ID=, CAS ID=84692-89-7 ]", "84692-89-7"}}, {432.8377, 7.851473, "Meta"} -> 
    {{45190, 35964, 29732}, {"", ""}}, {433.1729, 7.8523235, "Meta"} -> 
    {{40121, 30135, 28173}, {"", ""}}, {1245.5992, 7.851389, "Meta"} -> 
    {{2791892, 2519834, 2542865}, {"", ""}}, {415.2002, 7.8513994, "Meta"} -> 
    {{224735, 196454, 195291}, {"", ""}}, {428.1836, 7.8517575, "Meta"} -> 
    {{57094, 48589, 53165}, 
     {"Ser Trp His [ C20 H24 N6 O5, db=49.60, overall=24.80 ]", ""}}, 
   {1298.5118, 7.8517423, "Meta"} -> {{112365, 86859, 82058}, {"", ""}}, 
   {863.401, 7.871555, "Meta"} -> {{1021178, 968309, 981592}, {"", ""}}, 
   {916.3146, 7.8727407, "Meta"} -> {{97016, 70679, 69982}, {"", ""}}, 
   {189.0785, 7.8873053, "Meta"} -> {{70454, 47836, 60849}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=68.09, overall=34.05, HMP \
ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {185.1414, 7.8914566, "Meta"} -> {{190932, 199813, 169797}, 
     {"N-methyl-Gabapentin [ C10 H19 N O2, db=74.42, overall=37.21, KEGG ID=, \
CAS ID=102937-74-6 ]", "102937-74-6"}}, {208.0732, 8.064808, "Meta"} -> 
    {{24610, 1, 18935}, {"2,5-Dimethoxycinnamic acid [ C11 H12 O4, db=79.88, \
overall=39.94, HMP ID=HMDB02370, KEGG ID= ]", ""}}, 
   {318.1217, 8.112399, "Meta"} -> {{1, 1, 28084}, {"Fluvoxamine acid [ C14 \
H17 F3 N2 O3, db=51.04, overall=25.52, KEGG ID=, CAS ID=84692-89-7 ]", 
      "84692-89-7"}}, {186.1189, 8.142306, "Meta"} -> 
    {{379160, 183281, 285982}, {"", ""}}, {415.3079, 8.180323, "Meta"} -> 
    {{39906, 29889, 33795}, {"", ""}}, {301.2252, 8.18464, "Meta"} -> 
    {{149027, 151329, 140300}, {"", ""}}, {210.0888, 8.229969, "Meta"} -> 
    {{47210, 45306, 33082}, {"Methoxyhydroxymethylhydrocinnamic acid [ C11 \
H14 O4, db=76.31, overall=38.15, KEGG ID=, CAS ID=53832-93-2 ]", 
      "53832-93-2"}}, {619.2852, 8.249543, "Meta"} -> 
    {{103749, 81560, 69762}, 
     {" [ C34 H41 N3 O8, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {301.2252, 8.364499, "Meta"} -> {{50230, 42009, 34780}, {"", ""}}, 
   {224.1042, 8.49708, "Meta"} -> {{34607, 32554, 29381}, {"", ""}}, 
   {222.0865, 8.595155, "Meta"} -> {{63501, 50325, 48091}, {"", ""}}, 
   {538.2428, 8.63658, "Meta"} -> {{26569, 19941, 23438}, {"", ""}}, 
   {289.1346, 8.648037, "Meta"} -> {{1, 1, 36257}, {"", ""}}, 
   {332.1369, 8.648942, "Meta"} -> {{111079, 14283, 275012}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=83.61, \
overall=41.80, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {247.1604, 8.659072, "Meta"} -> {{85738, 1, 69248}, {"", ""}}, 
   {1395.5562, 8.677833, "Meta"} -> {{2664673, 2618374, 2468594}, {"", ""}}, 
   {1237.4865, 8.679944, "Meta"} -> {{1247147, 1139449, 1131553}, {"", ""}}, 
   {1290.4019, 8.679688, "Meta"} -> {{108335, 87157, 93913}, {"", ""}}, 
   {1059.5352, 8.717444, "Meta"} -> {{353773, 232563, 195040}, {"", ""}}, 
   {201.1364, 8.713065, "Meta"} -> {{50326, 54220, 56128}, 
     {"Capryloylglycine [ C10 H19 N O3, db=67.21, overall=33.61, HMP \
ID=HMDB00832, KEGG ID= ]", ""}}, {302.1881, 8.721181, "Meta"} -> 
    {{65274, 58922, 60607}, {"2-Methoxyestradiol [ C19 H26 O3, db=78.62, \
overall=39.31, HMP ID=HMDB00405, KEGG ID= ]", ""}}, 
   {496.2306, 8.726456, "Meta"} -> {{104628, 93143, 94307}, {"", ""}}, 
   {594.2002, 8.727458, "Meta"} -> {{22517, 19295, 21774}, {"", ""}}, 
   {332.1369, 8.780612, "Meta"} -> {{248250, 62488, 881208}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=85.03, \
overall=42.52, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {430.1107, 8.796733, "Meta"} -> {{1, 1, 45213}, {"", ""}}, 
   {300.1108, 8.80197, "Meta"} -> {{91512, 27196, 197670}, {"", ""}}, 
   {313.2252, 8.7906, "Meta"} -> {{119797, 141959, 60039}, {"", ""}}, 
   {286.2617, 8.82916, "Meta"} -> {{38321, 42157, 37218}, {"", ""}}, 
   {346.1526, 8.849605, "Meta"} -> {{27572, 1, 50618}, {"", ""}}, 
   {215.1519, 8.867749, "Meta"} -> {{114025, 107678, 125189}, {"", ""}}, 
   {224.1021, 8.969444, "Meta"} -> {{36072, 27662, 24007}, {"", ""}}, 
   {223.1208, 8.969972, "Meta"} -> {{22518, 23181, 31169}, 
     {"Rimiterol [ C12 H17 N O3, db=47.61, overall=23.81, KEGG ID=, CAS \
ID=32953-89-2 ]", "32953-89-2"}}, {196.1092, 8.977416, "Meta"} -> 
    {{24671, 28802, 1}, {"Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- [ C11 \
H16 O3, db=59.23, overall=29.61, KEGG ID=, CAS ID=64111-04-2 ]", 
      "64111-04-2"}}, {253.165, 9.127285, "Meta"} -> 
    {{200375, 201903, 179369}, {"", ""}}, {199.157, 9.126751, "Meta"} -> 
    {{517834, 513478, 520619}, {"", ""}}, {1089.4962, 9.145666, "Meta"} -> 
    {{703057, 603589, 640284}, {"", ""}}, {346.1526, 9.17123, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {181.1102, 9.210125, "Meta"} -> 
    {{91545, 108701, 101506}, {"2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- \
Metabolite [ C10 H15 N O2, db=76.98, overall=38.49, KEGG ID=, CAS ID= ]", 
      ""}}, {382.2563, 9.247962, "Meta"} -> {{1, 1, 59831}, 
     {"C17 Sphingosine-1-phosphate [ C17 H39 N2 O5 P, db=59.88, \
overall=29.94, Lipid ID=LMSP01040004, KEGG ID= ]", ""}}, 
   {592.3259, 9.304143, "Meta"} -> {{15531, 12907, 1}, {"", ""}}, 
   {298.1321, 9.309667, "Meta"} -> {{30723, 1, 35694}, {"", ""}}, 
   {411.1791, 9.316696, "Meta"} -> {{23892, 1, 39560}, 
     {"Tyr Val Met [ C19 H29 N3 O5 S, db=58.11, overall=29.06 ]", ""}}, 
   {332.1369, 9.345439, "Meta"} -> {{20608, 1, 45095}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=61.66, \
overall=30.83, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {189.1184, 9.360473, "Meta"} -> {{131742, 268472, 126345}, {"", ""}}, 
   {211.1571, 9.3698, "Meta"} -> {{54283, 48325, 35734}, {"", ""}}, 
   {196.1076, 9.373194, "Meta"} -> {{57992, 59683, 44458}, {"", ""}}, 
   {343.2259, 9.375806, "Meta"} -> {{169608, 114884, 22982}, 
     {"dibucaine [ C20 H29 N3 O2, db=78.46, overall=39.23, KEGG ID=, CAS \
ID=85-79-0 ]", "85-79-0"}}, {594.3415, 9.429972, "Meta"} -> 
    {{120315, 136890, 116855}, {"L-Urobilin [ C33 H46 N4 O6, db=97.19, \
overall=48.59, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {202.1203, 9.477693, "Meta"} -> {{71435, 1, 1}, {"sebacic acid [ C10 H18 \
O4, db=70.07, overall=35.04, KEGG ID=C08277, CAS ID=111-20-6 ]", 
      "111-20-6"}}, {254.1153, 9.500695, "Meta"} -> 
    {{70881, 56062, 59924}, {"methyl \
4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ C13 H18 O5, \
db=77.56, overall=38.78, Lipid ID=, KEGG ID= ]", ""}}, 
   {640.2432, 9.499125, "Meta"} -> {{19781, 15717, 17673}, 
     {"5-Methyltetrahydropteroyltri-L-glutamate [ C25 H36 N8 O12, db=61.28, \
overall=30.64, KEGG ID=C04489, CAS ID= ]", ""}}, 
   {564.2544, 9.498889, "Meta"} -> {{62598, 56282, 55916}, {"", ""}}, 
   {330.2192, 9.5008, "Meta"} -> {{1, 36822, 30184}, 
     {"Gestodene metabolite 2 [ C21 H30 O3, db=68.18, overall=34.09, KEGG \
ID=, CAS ID= ]", ""}}, {262.12, 9.519543, "Meta"} -> 
    {{63480, 48507, 54479}, {"Artemisin [ C15 H18 O4, db=68.17, \
overall=34.08, Lipid ID=LMPR01030020, KEGG ID=C09344 ]", ""}}, 
   {264.1357, 9.516806, "Meta"} -> {{179582, 160792, 160112}, {"", ""}}, 
   {327.2406, 9.530406, "Meta"} -> {{165535, 266603, 47855}, {"", ""}}, 
   {463.184, 9.53997, "Meta"} -> {{126838, 89408, 104715}, 
     {"Ritodrine glucuronide [ C23 H29 N O9, db=95.20, overall=47.60, KEGG \
ID=, CAS ID=129464-58-0 ]", "129464-58-0"}}, {273.1762, 9.569387, "Meta"} -> 
    {{62993, 57731, 57423}, {"", ""}}, {327.2405, 9.610461, "Meta"} -> 
    {{1, 1, 58106}, {"", ""}}, {273.1762, 9.6855, "Meta"} -> 
    {{97921, 77294, 86630}, {"", ""}}, {360.1935, 9.683611, "Meta"} -> 
    {{83446, 69431, 66862}, {"Aldosterone [ C21 H28 O5, db=80.00, \
overall=40.00, KEGG ID=, CAS ID=52-39-1 ]", "52-39-1"}}, 
   {238.1201, 9.702206, "Meta"} -> {{184761, 89608, 116295}, {"", ""}}, 
   {520.202, 9.758688, "Meta"} -> {{32052, 26149, 25490}, {"", ""}}, 
   {422.2412, 9.75828, "Meta"} -> {{305734, 252797, 249390}, {"", ""}}, 
   {362.2091, 9.759223, "Meta"} -> {{839566, 695127, 697979}, 
     {"20alpha-Dihydroprednisolone [ C21 H30 O5, db=80.45, overall=40.22, \
KEGG ID=, CAS ID=15847-24-2 ]", "15847-24-2"}}, 
   {346.214, 9.791315, "Meta"} -> {{35842, 30074, 27425}, 
     {"Corticosterone [ C21 H30 O4, db=61.19, overall=30.59, HMP \
ID=HMDB01547, KEGG ID= ]", ""}}, {638.2274, 9.789353, "Meta"} -> 
    {{26290, 18251, 22036}, {"", ""}}, {346.1525, 9.793889, "Meta"} -> 
    {{119555, 26602, 179105}, {"", ""}}, {562.2387, 9.788788, "Meta"} -> 
    {{52612, 1, 71537}, {"", ""}}, {557.2833, 9.790912, "Meta"} -> 
    {{19986, 17634, 19308}, {"", ""}}, {510.2462, 9.815877, "Meta"} -> 
    {{32859, 27901, 27536}, {"", ""}}, {229.1674, 9.85191, "Meta"} -> 
    {{48272, 49321, 1}, {"", ""}}, {548.2599, 9.858362, "Meta"} -> 
    {{17927, 15964, 16278}, {"", ""}}, {504.2344, 9.858466, "Meta"} -> 
    {{19770, 1, 24870}, {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, \
db=72.48, overall=36.24, KEGG ID=, CAS ID= ]", ""}}, 
   {470.3088, 9.879321, "Meta"} -> {{58034, 1, 47082}, {"", ""}}, 
   {550.2021, 9.877315, "Meta"} -> {{16502, 15177, 15788}, {"", ""}}, 
   {346.1525, 9.904173, "Meta"} -> {{107947, 1, 169057}, {"", ""}}, 
   {238.0238, 9.941334, "Meta"} -> {{113777, 72387, 62612}, {"", ""}}, 
   {396.272, 9.949917, "Meta"} -> {{1, 54058, 1}, {"", ""}}, 
   {352.1786, 9.951111, "Meta"} -> {{117073, 87381, 101793}, {"", ""}}, 
   {244.0709, 9.960057, "Meta"} -> {{57675, 59517, 52733}, 
     {"Uridine [ C9 H12 N2 O6, db=67.18, overall=33.59, KEGG ID=C00299, CAS \
ID=58-96-8 ]", "58-96-8"}}, {238.1185, 9.979892, "Meta"} -> 
    {{1, 17909, 1}, {"", ""}}, {330.1981, 9.977964, "Meta"} -> 
    {{78792, 1, 53532}, 
     {"Val Arg Gly [ C13 H26 N6 O4, db=57.73, overall=28.86 ]", ""}}, 
   {284.0936, 9.975928, "Meta"} -> {{22665, 19976, 27962}, {"", ""}}, 
   {463.2106, 10.027572, "Meta"} -> {{15206, 1, 1}, {"", ""}}, 
   {314.1266, 10.0307455, "Meta"} -> {{108612, 1, 118814}, {"", ""}}, 
   {314.2933, 10.043069, "Meta"} -> {{48261, 37622, 45257}, {"", ""}}, 
   {285.1574, 10.05632, "Meta"} -> {{23434, 27706, 31699}, 
     {"6,7-Dimethyltetrahydropterin [ C15 H19 N5 O, db=55.04, overall=27.52, \
HMP ID=HMDB02397, KEGG ID= ]", ""}}, {300.1323, 10.061844, "Meta"} -> 
    {{44056, 42183, 47213}, {"8-Hydroxypromazine [ C17 H20 N2 O S, db=45.98, \
overall=22.99, KEGG ID=, CAS ID=130349-17-6 ]", "130349-17-6"}}, 
   {356.0424, 10.055119, "Meta"} -> {{75110, 64016, 55305}, {"", ""}}, 
   {758.2462, 10.054517, "Meta"} -> {{170052, 135100, 164673}, {"", ""}}, 
   {524.1633, 10.055028, "Meta"} -> {{67782, 56862, 59015}, {"", ""}}, 
   {338.0701, 10.055571, "Meta"} -> {{346316, 300698, 298739}, 
     {"Asn Cys Cys [ C10 H18 N4 O5 S2, db=69.48, overall=34.74 ]", ""}}, 
   {240.0997, 10.05514, "Meta"} -> {{4776098, 4091284, 4117537}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=99.31, overall=49.66, KEGG ID=, CAS ID=56392-15-5 ]", "56392-15-5"}}, 
   {180.0783, 10.055166, "Meta"} -> {{522439, 453053, 466468}, 
     {"o-Methoxyhydrocinnamic acid [ C10 H12 O3, db=99.04, overall=49.52, \
KEGG ID=, CAS ID= ]", ""}}, {222.0891, 10.055057, "Meta"} -> 
    {{2678330, 2393116, 2437401}, {"2E,4E,8E,10E-Dodecatetraenedioic acid [ \
C12 H14 O4, db=99.63, overall=49.81, Lipid ID=, KEGG ID= ]", ""}}, 
   {773.212, 10.0548, "Meta"} -> {{64154, 42075, 37216}, {"", ""}}, 
   {428.1355, 10.05561, "Meta"} -> {{66942, 49679, 55816}, {"", ""}}, 
   {284.0629, 10.055297, "Meta"} -> {{35754, 37594, 46922}, {"", ""}}, 
   {370.0939, 10.056542, "Meta"} -> {{31244, 27422, 37743}, {"", ""}}, 
   {518.1473, 10.055831, "Meta"} -> {{151854, 35338, 36575}, {"", ""}}, 
   {353.0342, 10.055324, "Meta"} -> {{176669, 137600, 124227}, {"", ""}}, 
   {413.0684, 10.055799, "Meta"} -> {{94087, 70437, 63269}, {"", ""}}, 
   {254.1151, 10.055778, "Meta"} -> {{140062, 114803, 133248}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=92.65, overall=46.32, Lipid ID=, KEGG ID= ]", ""}}, 
   {382.1291, 10.055561, "Meta"} -> {{1, 53247, 1}, 
     {"Asn Phe Cys [ C16 H22 N4 O5 S, db=52.83, overall=26.41 ]", ""}}, 
   {270.1108, 10.057515, "Meta"} -> {{66444, 63176, 266086}, 
     {"Idebenone Metabolite (Benzenebutanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C13 H18 O6, db=87.10, overall=43.55, \
KEGG ID=, CAS ID=95233-52-6 ]", "95233-52-6"}}, 
   {238.0837, 10.05803, "Meta"} -> {{54048, 61809, 72180}, 
     {"Propanoic acid, 2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- [ C12 H14 O5, \
db=79.56, overall=39.78, KEGG ID=, CAS ID=53564-64-0 ]", "53564-64-0"}}, 
   {329.2564, 10.071557, "Meta"} -> {{136725, 115798, 113643}, {"", ""}}, 
   {298.1417, 10.074715, "Meta"} -> {{158690, 130512, 133803}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=61.89, overall=30.94, \
KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {267.1807, 10.080885, "Meta"} -> {{1, 83230, 1}, 
     {"Metoprolol [ C15 H25 N O3, db=55.81, overall=27.91, KEGG ID=C07202, \
CAS ID=51384-51-1 ]", "51384-51-1"}}, {213.1727, 10.082888, "Meta"} -> 
    {{155151, 160960, 152856}, {"", ""}}, {280.1306, 10.084135, "Meta"} -> 
    {{27997, 33084, 22294}, {"Betaxolol(deaminated) [ C15 H20 O5, db=67.92, \
overall=33.96, KEGG ID=, CAS ID=87549-34-6 ]", "87549-34-6"}}, 
   {324.0999, 10.10015, "Meta"} -> {{70456, 1, 119348}, 
     {"7-Hydroxywarfarin [ C19 H16 O5, db=62.79, overall=31.40, KEGG ID=, CAS \
ID=17834-03-6 ]", "17834-03-6"}}, {542.2723, 10.113879, "Meta"} -> 
    {{12349, 9846, 1}, {"", ""}}, {226.1503, 10.1374, "Meta"} -> 
    {{52324, 51684, 40537}, {"", ""}}, {564.2545, 10.16625, "Meta"} -> 
    {{1, 1, 14039}, {"", ""}}, {157.1461, 10.186832, "Meta"} -> 
    {{278557, 293254, 302285}, {"", ""}}, {776.6856, 10.190693, "Meta"} -> 
    {{132611, 117803, 108840}, {"Thyroxine [ C15 H11 I4 N O4, db=98.31, \
overall=49.15, KEGG ID=C08212, CAS ID=51-48-9 ]", "51-48-9"}}, 
   {275.1915, 10.220444, "Meta"} -> {{212759, 179682, 200573}, {"", ""}}, 
   {258.165, 10.220358, "Meta"} -> {{17642, 20358, 14067}, {"", ""}}, 
   {250.1179, 10.22413, "Meta"} -> {{24856, 19062, 1}, {"", ""}}, 
   {210.123, 10.228934, "Meta"} -> {{85117, 1, 73504}, {"", ""}}, 
   {346.1381, 10.229135, "Meta"} -> {{18967, 18731, 15991}, {"", ""}}, 
   {286.1097, 10.229067, "Meta"} -> {{18026, 18498, 1}, 
     {"His Met [ C11 H18 N4 O3 S, db=62.46, overall=31.23 ]", ""}}, 
   {438.1865, 10.251937, "Meta"} -> {{21583, 18056, 17371}, 
     {"Phe Ser Trp [ C23 H26 N4 O5, db=47.42, overall=23.71 ]", ""}}, 
   {254.1509, 10.254307, "Meta"} -> {{18847, 40562, 20557}, {"", ""}}, 
   {222.1614, 10.2523, "Meta"} -> {{26484, 24895, 26311}, {"", ""}}, 
   {272.162, 10.262467, "Meta"} -> {{102121, 84352, 79662}, {"", ""}}, 
   {324.0948, 10.281, "Meta"} -> {{16717, 1, 18124}, {"", ""}}, 
   {166.0989, 10.282687, "Meta"} -> {{35456, 1, 33386}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=46.36, overall=23.18, Lipid \
ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, {615.2453, 10.311601, "Meta"} -> 
    {{49180, 46889, 31937}, {"", ""}}, {582.2476, 10.3178005, "Meta"} -> 
    {{619213, 667137, 453447}, {"Biliverdin IX [ C33 H34 N4 O6, db=70.82, \
overall=35.41, HMP ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", 
      " 114-25-0"}}, {612.2579, 10.319498, "Meta"} -> 
    {{27397, 76445, 54440}, {"", ""}}, {598.2435, 10.3203745, "Meta"} -> 
    {{51708, 53917, 31898}, {"", ""}}, {580.2318, 10.321624, "Meta"} -> 
    {{1, 1, 79942}, {"", ""}}, {302.1078, 10.325857, "Meta"} -> 
    {{37764, 32346, 30208}, {"", ""}}, {299.1918, 10.32961, "Meta"} -> 
    {{252846, 212155, 238944}, {"", ""}}, {144.1147, 10.324371, "Meta"} -> 
    {{46615, 51775, 1}, {"\207-ethyl caproic acid [ C8 H16 O2, db=81.51, \
overall=40.75, KEGG ID=, CAS ID= ]", ""}}, {489.1998, 10.348856, "Meta"} -> 
    {{1, 1, 1}, {"Terbinafine metabolite glucuronide [ C25 H31 N O9, \
db=76.80, overall=38.40, KEGG ID=, CAS ID= ]", ""}}, 
   {264.0959, 10.353962, "Meta"} -> {{34203, 31655, 35815}, {"", ""}}, 
   {319.0784, 10.364562, "Meta"} -> {{69464, 25520, 35933}, {"", ""}}, 
   {453.2262, 10.414259, "Meta"} -> {{21124, 15299, 16185}, {"", ""}}, 
   {252.134, 10.437142, "Meta"} -> {{77014, 35910, 58291}, {"", ""}}, 
   {343.2186, 10.472101, "Meta"} -> {{32427, 31350, 29964}, {"", ""}}, 
   {632.2476, 10.46173, "Meta"} -> {{13151, 1, 24356}, {"", ""}}, 
   {314.1266, 10.46791, "Meta"} -> {{18918, 1, 25398}, {"", ""}}, 
   {245.145, 10.478071, "Meta"} -> {{77505, 40274, 73127}, {"", ""}}, 
   {690.4105, 10.481418, "Meta"} -> {{11093, 1, 10127}, {"", ""}}, 
   {492.2092, 10.482031, "Meta"} -> {{31518, 28290, 30273}, {"", ""}}, 
   {416.2284, 10.482223, "Meta"} -> {{133823, 117865, 106778}, 
     {"Ramipril [ C23 H32 N2 O5, db=71.08, overall=35.54, KEGG ID=C07232, CAS \
ID=87333-19-5 ]", "87333-19-5"}}, {356.1961, 10.4823885, "Meta"} -> 
    {{160802, 123224, 125989}, {"", ""}}, {316.2036, 10.483486, "Meta"} -> 
    {{71321, 67383, 93978}, {"Acitretin Ro 23-4293 [ C20 H28 O3, db=83.16, \
overall=41.58, KEGG ID=, CAS ID=121693-28-5 ]", "121693-28-5"}}, 
   {319.218, 10.518692, "Meta"} -> {{31539, 26588, 23715}, {"", ""}}, 
   {250.118, 10.512572, "Meta"} -> {{33198, 27576, 1}, {"", ""}}, 
   {205.1132, 10.609686, "Meta"} -> {{127901, 155852, 214353}, {"", ""}}, 
   {218.0879, 10.616875, "Meta"} -> {{106416, 49123, 62689}, {"", ""}}, 
   {254.1511, 10.619676, "Meta"} -> {{45465, 35326, 21987}, {"", ""}}, 
   {243.1831, 10.626083, "Meta"} -> {{201591, 196849, 202628}, {"", ""}}, 
   {225.1725, 10.6266775, "Meta"} -> {{1, 1, 42368}, {"", ""}}, 
   {385.2821, 10.648808, "Meta"} -> {{34895, 36697, 14204}, {"", ""}}, 
   {602.2044, 10.638667, "Meta"} -> {{17192, 19064, 19105}, {"", ""}}, 
   {545.3771, 10.661119, "Meta"} -> {{1, 33668, 40349}, {"", ""}}, 
   {325.2075, 10.677681, "Meta"} -> {{19193, 18197, 23864}, {"", ""}}, 
   {173.1233, 10.677229, "Meta"} -> {{186976, 104599, 207201}, {"", ""}}, 
   {171.1619, 10.675749, "Meta"} -> {{107363, 103594, 116707}, {"", ""}}, 
   {301.2074, 10.694365, "Meta"} -> {{102961, 83485, 83539}, {"", ""}}, 
   {286.1105, 10.689359, "Meta"} -> {{32714, 20785, 1}, 
     {"Hydroxymelphalan [ C13 H19 Cl N2 O3, db=66.75, overall=33.38, KEGG \
ID=, CAS ID=61733-01-5 ]", "61733-01-5"}}, {346.1349, 10.691233, "Meta"} -> 
    {{29791, 25246, 23693}, {"", ""}}, {343.2722, 10.704386, "Meta"} -> 
    {{58140, 59872, 58503}, {"Dodecanoylcarnitine [ C19 H37 N O4, db=90.71, \
overall=45.36, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {302.1125, 10.712086, "Meta"} -> {{21820, 20997, 20478}, {"", ""}}, 
   {340.1257, 10.728134, "Meta"} -> {{20437, 16553, 18021}, {"", ""}}, 
   {242.1516, 10.728, "Meta"} -> {{176264, 29224, 161761}, {"", ""}}, 
   {400.1631, 10.728265, "Meta"} -> {{27072, 22151, 26785}, 
     {"N-AcetylCilastatin [ C18 H28 N2 O6 S, db=63.48, overall=31.74, KEGG \
ID=, CAS ID=94388-32-6 ]", "94388-32-6"}}, {331.2723, 10.732485, "Meta"} -> 
    {{45358, 25629, 47378}, {"", ""}}, {252.1335, 10.748029, "Meta"} -> 
    {{70100, 46881, 46870}, {"", ""}}, {212.1408, 10.760103, "Meta"} -> 
    {{35942, 29309, 29430}, {"12-oxo-10Z-dodecenoic acid [ C12 H20 O3, \
db=80.89, overall=40.45, Lipid ID=, KEGG ID= ]", ""}}, 
   {239.1884, 10.751323, "Meta"} -> {{55800, 53314, 47605}, {"", ""}}, 
   {226.0562, 10.78225, "Meta"} -> {{91480, 61032, 63321}, {"", ""}}, 
   {367.2718, 10.79603, "Meta"} -> {{98408, 104168, 31584}, {"", ""}}, 
   {262.1177, 10.825701, "Meta"} -> {{51130, 40633, 44835}, {"", ""}}, 
   {343.2721, 10.835971, "Meta"} -> {{286944, 314163, 122303}, 
     {"Dodecanoylcarnitine [ C19 H37 N O4, db=97.12, overall=48.56, HMP \
ID=HMDB02250, KEGG ID= ]", ""}}, {227.1882, 10.834806, "Meta"} -> 
    {{435353, 437389, 381032}, {"", ""}}, {281.1964, 10.834471, "Meta"} -> 
    {{197057, 194618, 166359}, {"", ""}}, {589.4036, 10.839125, "Meta"} -> 
    {{35144, 32476, 30331}, {"", ""}}, {316.1647, 10.838167, "Meta"} -> 
    {{20784, 27567, 39242}, {"Gibberellin A9 [ C19 H24 O4, db=60.62, \
overall=30.31, Lipid ID=LMPR01040080, KEGG ID=C11863 ]", ""}}, 
   {594.3588, 10.837862, "Meta"} -> {{1, 43425, 44689}, {"", ""}}, 
   {346.1531, 10.850415, "Meta"} -> {{29602, 1, 34296}, {"", ""}}, 
   {360.1682, 10.850501, "Meta"} -> {{49456, 36372, 40408}, {"", ""}}, 
   {328.142, 10.851166, "Meta"} -> {{153722, 129457, 158524}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=71.54, overall=35.77 ]", ""}}, 
   {298.1327, 10.851243, "Meta"} -> {{23971, 15913, 18717}, {"", ""}}, 
   {355.272, 10.84606, "Meta"} -> {{273902, 295164, 120148}, {"", ""}}, 
   {383.288, 10.873963, "Meta"} -> {{31017, 1, 31619}, {"", ""}}, 
   {388.2436, 10.871462, "Meta"} -> {{1, 43332, 42834}, 
     {"Thr Ile Arg [ C16 H32 N6 O5, db=61.43, overall=30.71 ]", ""}}, 
   {284.1808, 10.88514, "Meta"} -> {{61182, 52781, 48239}, {"", ""}}, 
   {301.2077, 10.885583, "Meta"} -> {{1701652, 1457794, 1478334}, {"", ""}}, 
   {276.1936, 10.92211, "Meta"} -> {{152739, 156425, 150808}, {"", ""}}, 
   {342.3243, 10.933499, "Meta"} -> {{41706, 42205, 35909}, {"", ""}}, 
   {242.1516, 10.939269, "Meta"} -> {{1, 13312, 106781}, {"", ""}}, 
   {400.163, 10.940041, "Meta"} -> {{18374, 14670, 14152}, 
     {"N-AcetylCilastatin [ C18 H28 N2 O6 S, db=61.45, overall=30.73, KEGG \
ID=, CAS ID=94388-32-6 ]", "94388-32-6"}}, {287.2463, 10.968501, "Meta"} -> 
    {{90095, 37584, 78308}, {"", ""}}, {498.3417, 10.976148, "Meta"} -> 
    {{78979, 1, 1}, {"", ""}}, {381.2882, 10.990801, "Meta"} -> 
    {{23912, 20376, 19404}, {"5,6-DiHETrE-EA [ C22 H39 N O4, db=62.62, \
overall=31.31, Lipid ID=LMFA08040029, KEGG ID= ]", ""}}, 
   {431.2308, 10.993176, "Meta"} -> {{13432, 26854, 20099}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=63.44, overall=31.72 ]", ""}}, 
   {414.2039, 10.993806, "Meta"} -> {{73337, 148843, 101394}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=75.35, overall=37.67 ]", ""}}, 
   {616.403, 10.994139, "Meta"} -> {{36461, 37570, 1}, {"", ""}}, 
   {633.4297, 10.99538, "Meta"} -> {{27761, 28702, 1}, {"", ""}}, 
   {285.9721, 10.995276, "Meta"} -> {{1, 1, 102920}, {"", ""}}, 
   {249.1109, 11.002543, "Meta"} -> {{57596, 37006, 39577}, {"", ""}}, 
   {440.2017, 10.997424, "Meta"} -> {{44401, 29315, 28760}, 
     {"Phe Gln Phe [ C23 H28 N4 O5, db=38.67, overall=19.34 ]", ""}}, 
   {276.1334, 11.004139, "Meta"} -> {{51013, 44998, 45620}, 
     {"Saccharopine [ C11 H20 N2 O6, db=56.45, overall=28.23, KEGG ID=, CAS \
ID=997-68-2 ]", "997-68-2"}}, {465.3087, 11.014788, "Meta"} -> 
    {{60478, 54619, 55504}, {"Cholylglycine [ C26 H43 N O6, db=75.71, \
overall=37.85, KEGG ID=, CAS ID=475-31-0 ]", "475-31-0"}}, 
   {236.1403, 11.007713, "Meta"} -> {{79631, 40355, 72901}, {"", ""}}, 
   {345.2335, 11.036324, "Meta"} -> {{134448, 1, 108535}, {"", ""}}, 
   {410.2874, 11.06508, "Meta"} -> {{43618, 30545, 1}, {"", ""}}, 
   {402.2185, 11.074946, "Meta"} -> {{26686, 19422, 26584}, 
     {"Trandolaprilat [ C22 H30 N2 O5, db=47.66, overall=23.83, KEGG ID=, CAS \
ID=87679-71-8 ]", "87679-71-8"}}, {276.0972, 11.078914, "Meta"} -> 
    {{43242, 26952, 35983}, 
     {"Glu Glu [ C10 H16 N2 O7, db=71.47, overall=35.73 ]", ""}}, 
   {331.2721, 11.109583, "Meta"} -> {{42923, 73884, 96551}, {"", ""}}, 
   {402.1563, 11.114313, "Meta"} -> {{123830, 280442, 12783}, {"", ""}}, 
   {321.215, 11.114806, "Meta"} -> {{1414597, 3609456, 174891}, {"", ""}}, 
   {304.1884, 11.114723, "Meta"} -> {{4236478, 1.01*^7, 472819}, {"", ""}}, 
   {224.0838, 11.132531, "Meta"} -> {{39938, 35568, 33228}, {"", ""}}, 
   {278.0912, 11.133195, "Meta"} -> {{49364, 29727, 40742}, 
     {"Glu Met [ C10 H18 N2 O5 S, db=50.61, overall=25.31 ]", ""}}, 
   {327.223, 11.149416, "Meta"} -> {{166883, 136406, 155664}, 
     {"Levonorgestrel oxime [ C21 H29 N O2, db=60.97, overall=30.49, KEGG \
ID=, CAS ID=53016-31-2 ]", "53016-31-2"}}, {172.1474, 11.181901, "Meta"} -> 
    {{27138, 26372, 65135}, {"3-methyl-nonanoic acid [ C10 H20 O2, db=48.71, \
overall=24.36, Lipid ID=, KEGG ID= ]", ""}}, {238.1544, 11.197818, "Meta"} -> 
    {{160458, 153772, 144021}, {"", ""}}, {265.0592, 11.2015, "Meta"} -> 
    {{171403, 40795, 162374}, {"", ""}}, {256.1671, 11.202999, "Meta"} -> 
    {{103972, 64038, 1}, {"", ""}}, {331.272, 11.201206, "Meta"} -> 
    {{18193, 22867, 20260}, {"", ""}}, {202.1566, 11.219847, "Meta"} -> 
    {{92910, 74424, 1}, {"10-hydroxy-undecanoic acid [ C11 H22 O3, db=57.60, \
overall=28.80, Lipid ID=, KEGG ID= ]", ""}}, {357.2877, 11.224555, "Meta"} -> 
    {{318137, 256437, 240875}, {"", ""}}, {287.2463, 11.230424, "Meta"} -> 
    {{53089, 24511, 17216}, {"", ""}}, {286.196, 11.254839, "Meta"} -> 
    {{22018, 19575, 22334}, {"Androstenedione [ C19 H26 O2, db=51.24, \
overall=25.62, KEGG ID=C00280, CAS ID=63-05-8 ]", "63-05-8"}}, 
   {306.1806, 11.240032, "Meta"} -> {{46278, 1, 46695}, 
     {"Tetranor Iloprost [ C18 H26 O4, db=57.37, overall=28.69, KEGG ID=, CAS \
ID=93220-69-0 ]", "93220-69-0"}}, {303.223, 11.255501, "Meta"} -> 
    {{418308, 329133, 340086}, {"", ""}}, {288.1332, 11.251001, "Meta"} -> 
    {{32170, 36675, 56110}, {"4-Methylumbelliferyl heptanoate [ C17 H20 O4, \
db=40.76, overall=20.38, KEGG ID=, CAS ID=18319-92-1 ]", "18319-92-1"}}, 
   {248.1406, 11.251324, "Meta"} -> {{18561, 17787, 18637}, 
     {"2,4-Pentadienoic acid, \
3-methyl-5-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)- [ C15 H20 O3, db=58.71, \
overall=29.36, KEGG ID=, CAS ID=126624-24-6 ]", "126624-24-6"}}, 
   {358.2326, 11.257731, "Meta"} -> {{53932, 48466, 49332}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=70.59, overall=35.30 ]", ""}}, 
   {717.4275, 11.272499, "Meta"} -> {{71330, 92422, 85638}, {"", ""}}, 
   {587.1718, 11.289588, "Meta"} -> {{16499, 19741, 15253}, {"", ""}}, 
   {294.1107, 11.290332, "Meta"} -> {{18000, 33754, 28246}, {"", ""}}, 
   {1280.5605, 11.288729, "Meta"} -> {{1, 21383, 10361}, {"", ""}}, 
   {452.1514, 11.289388, "Meta"} -> {{53958, 78515, 58736}, {"", ""}}, 
   {586.2752, 11.289446, "Meta"} -> {{125843, 182541, 174842}, {"", ""}}, 
   {527.1393, 11.289233, "Meta"} -> {{70808, 1, 73596}, {"", ""}}, 
   {496.1945, 11.289706, "Meta"} -> {{19525, 31589, 1}, 
     {"Trp Glu Tyr [ C25 H28 N4 O7, db=59.40, overall=29.70 ]", ""}}, 
   {845.4351, 11.289027, "Meta"} -> {{154568, 325834, 274702}, {"", ""}}, 
   {530.1451, 11.290032, "Meta"} -> {{42085, 1, 41811}, 
     {"Ketoconazole [ C26 H28 Cl2 N4 O4, db=59.08, overall=29.54, KEGG \
ID=C07061, CAS ID=65277-42-1 ]", "65277-42-1"}}, 
   {531.2824, 11.290118, "Meta"} -> {{26750, 34359, 30057}, {"", ""}}, 
   {866.3558, 11.289026, "Meta"} -> {{40704, 85387, 64523}, {"", ""}}, 
   {876.3872, 11.289584, "Meta"} -> {{23438, 44822, 36772}, {"", ""}}, 
   {608.2851, 11.289752, "Meta"} -> {{19433, 25381, 21500}, 
     {" [ C34 H42 N O9, db=0.00, overall=41.18, mfg=82.37 ]", ""}}, 
   {445.2463, 11.290056, "Meta"} -> {{98405, 128517, 117097}, {"", ""}}, 
   {534.248, 11.289888, "Meta"} -> {{720263, 1115893, 1021342}, {"", ""}}, 
   {512.1748, 11.289804, "Meta"} -> {{189460, 271856, 221969}, {"", ""}}, 
   {485.2606, 11.290346, "Meta"} -> {{92462, 1, 1}, {"", ""}}, 
   {414.2037, 11.289584, "Meta"} -> {{8322049, 1.23*^7, 1.04*^7}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=82.04, overall=41.02 ]", ""}}, 
   {280.131, 11.2896385, "Meta"} -> {{72412, 102932, 94642}, 
     {"Betaxolol(deaminated) [ C15 H20 O5, db=93.07, overall=46.54, KEGG ID=, \
CAS ID=87549-34-6 ]", "87549-34-6"}}, {431.2309, 11.289611, "Meta"} -> 
    {{2678306, 3762033, 3570201}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=83.76, overall=41.88 ]", ""}}, 
   {487.292, 11.2910595, "Meta"} -> {{36533, 39697, 33066}, {"", ""}}, 
   {544.1991, 11.289091, "Meta"} -> {{16782, 20924, 22286}, {"", ""}}, 
   {471.2445, 11.291112, "Meta"} -> {{1, 47025, 45484}, {"", ""}}, 
   {459.2618, 11.289667, "Meta"} -> {{303950, 494576, 499794}, 
     {"Arg Val Trp [ C22 H33 N7 O4, db=83.80, overall=41.90 ]", ""}}, 
   {457.2271, 11.291111, "Meta"} -> {{86381, 91239, 89144}, {"", ""}}, 
   {493.246, 11.289943, "Meta"} -> {{21326, 31221, 26438}, 
     {"Epothilone A [ C26 H39 N O6 S, db=62.97, overall=31.48, Lipid \
ID=LMPK01000045, KEGG ID=C12153 ]", ""}}, {560.2447, 11.289834, "Meta"} -> 
    {{26277, 42523, 42779}, {"Chloramphenicol palmitate [ C27 H42 Cl2 N2 O6, \
db=50.93, overall=25.46, KEGG ID=C11726, CAS ID=530-43-8 ]", "530-43-8"}}, 
   {473.2773, 11.28986, "Meta"} -> {{63946, 108021, 126945}, 
     {"Leu Trp Arg [ C23 H35 N7 O4, db=65.72, overall=32.86 ]", ""}}, 
   {480.1932, 11.290501, "Meta"} -> {{34840, 40509, 36270}, {"", ""}}, 
   {440.2009, 11.290919, "Meta"} -> {{148997, 141624, 127249}, 
     {"punaglandin 8 [ C23 H33 Cl O6, db=31.94, overall=15.97, Lipid \
ID=LMFA03120045, KEGG ID= ]", ""}}, {749.4477, 11.296001, "Meta"} -> 
    {{11132, 17852, 1}, {"", ""}}, {455.3245, 11.3231, "Meta"} -> 
    {{78319, 76547, 1}, {"", ""}}, {369.2876, 11.339501, "Meta"} -> 
    {{292698, 251081, 104426}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, \
db=97.62, overall=48.81, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {226.1929, 11.347332, "Meta"} -> {{144992, 144895, 116658}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=85.58, overall=42.79, \
KEGG ID=, CAS ID= ]", ""}}, {336.1572, 11.353258, "Meta"} -> 
    {{90341, 254733, 346663}, {"", ""}}, {243.2196, 11.351666, "Meta"} -> 
    {{31070, 37462, 22972}, {"2-amino-tetradecanoic acid [ C14 H29 N O2, \
db=77.47, overall=38.74, Lipid ID=, KEGG ID= ]", ""}}, 
   {256.1672, 11.371285, "Meta"} -> {{204838, 161411, 154347}, {"", ""}}, 
   {285.1361, 11.375806, "Meta"} -> {{165651, 489642, 578081}, 
     {"Morphine [ C17 H19 N O3, db=95.72, overall=47.86, KEGG ID=C01516, CAS \
ID=57-27-2 ]", "57-27-2"}}, {282.1465, 11.395613, "Meta"} -> 
    {{90298, 80826, 84142}, {"Artemisinin [ C15 H22 O5, db=88.47, \
overall=44.23, KEGG ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {208.1094, 11.39564, "Meta"} -> {{158202, 124207, 123200}, 
     {"1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo- [ C12 H16 O3, \
db=81.98, overall=40.99, KEGG ID=, CAS ID=28043-09-6 ]", "28043-09-6"}}, 
   {250.1206, 11.395556, "Meta"} -> {{1046226, 900386, 970561}, 
     {"Ubiquinone [ C14 H18 O4, db=99.59, overall=49.80, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {366.1019, 11.395695, "Meta"} -> 
    {{148003, 123254, 121282}, 
     {"Cys Asn Met [ C12 H22 N4 O5 S2, db=72.32, overall=36.16 ]", ""}}, 
   {381.0665, 11.395805, "Meta"} -> {{54160, 42402, 37124}, {"", ""}}, 
   {268.131, 11.395668, "Meta"} -> {{1788373, 1493655, 1486867}, {"", ""}}, 
   {842.34, 11.395239, "Meta"} -> {{1, 8560, 10563}, {"", ""}}, 
   {589.1759, 11.39528, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {384.0751, 11.395806, "Meta"} -> {{37588, 32148, 27382}, {"", ""}}, 
   {649.2068, 11.395183, "Meta"} -> {{15191, 11615, 1}, {"", ""}}, 
   {504.2696, 11.396668, "Meta"} -> {{35964, 28323, 28482}, {"", ""}}, 
   {312.0943, 11.396322, "Meta"} -> {{19697, 1, 1}, {"", ""}}, 
   {575.2477, 11.396999, "Meta"} -> {{25088, 17197, 18079}, {"", ""}}, 
   {328.1616, 11.3960285, "Meta"} -> {{71542, 61151, 66590}, 
     {"Methotrimeprazine [ C19 H24 N2 O S, db=76.92, overall=38.46, KEGG \
ID=C07192, CAS ID=60-99-1 ]", "60-99-1"}}, {441.1043, 11.396527, "Meta"} -> 
    {{47106, 36444, 34821}, {"", ""}}, {398.1249, 11.39558, "Meta"} -> 
    {{17819, 1, 1}, 
     {"Cys Tyr Asn [ C16 H22 N4 O6 S, db=64.30, overall=32.15 ]", ""}}, 
   {410.1626, 11.397676, "Meta"} -> {{32086, 29673, 31631}, 
     {"Phe Asn Met [ C18 H26 N4 O5 S, db=72.68, overall=36.34 ]", ""}}, 
   {426.1383, 11.396766, "Meta"} -> {{139049, 139695, 138533}, 
     {"Mometasone [ C22 H28 Cl2 O4, db=54.85, overall=27.42, KEGG ID=C07816, \
CAS ID=105102-22-5 ]", "105102-22-5"}}, {136.1248, 11.399722, "Meta"} -> 
    {{57030, 48233, 48052}, {"(+)-Limonene [ C10 H16, db=85.33, \
overall=42.67, Lipid ID=LMPR01020041, KEGG ID=C06099 ]", ""}}, 
   {266.115, 11.397911, "Meta"} -> {{18731, 24460, 25754}, {"", ""}}, 
   {214.1567, 11.399723, "Meta"} -> {{819149, 701478, 708092}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=86.76, overall=43.38, \
Lipid ID=, KEGG ID= ]", ""}}, {274.189, 11.399056, "Meta"} -> 
    {{105012, 104569, 101876}, {"", ""}}, {312.1249, 11.399559, "Meta"} -> 
    {{29205, 26922, 23586}, {"", ""}}, {154.1354, 11.39986, "Meta"} -> 
    {{98102, 85540, 89725}, {"Linalool [ C10 H18 O, db=84.18, overall=42.09, \
Lipid ID=LMPR01020038, KEGG ID=C03985 ]", ""}}, 
   {647.4454, 11.415207, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {196.1447, 11.415208, "Meta"} -> {{17752, 27623, 24005}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=61.34, overall=30.67, Lipid ID=, \
KEGG ID= ]", ""}}, {397.3034, 11.419818, "Meta"} -> 
    {{53086, 37164, 51738}, {"", ""}}, {518.121, 11.434154, "Meta"} -> 
    {{21905, 20721, 1}, {"", ""}}, {336.157, 11.451531, "Meta"} -> 
    {{53719, 149275, 127244}, {"", ""}}, {246.1829, 11.451807, "Meta"} -> 
    {{218995, 120239, 70532}, {"", ""}}, {241.2038, 11.455589, "Meta"} -> 
    {{40702, 65516, 38128}, {"", ""}}, {478.2178, 11.45214, "Meta"} -> 
    {{42150, 32129, 36894}, {"Formestane-4-O-glucuronide [ C25 H34 O9, \
db=82.02, overall=41.01, KEGG ID=, CAS ID=102848-54-4 ]", "102848-54-4"}}, 
   {210.1249, 11.457354, "Meta"} -> {{56676, 33771, 51089}, 
     {"Jasmonic acid [ C12 H18 O3, db=81.52, overall=40.76, Lipid \
ID=LMFA02020001, KEGG ID= ]", ""}}, {342.2878, 11.461249, "Meta"} -> 
    {{26048, 32717, 16812}, {"", ""}}, {367.1506, 11.475408, "Meta"} -> 
    {{102381, 89196, 81945}, 
     {"Asp His Pro [ C15 H21 N5 O6, db=71.89, overall=35.95 ]", ""}}, 
   {285.1362, 11.475694, "Meta"} -> {{1130902, 952686, 968408}, 
     {"Morphine [ C17 H19 N O3, db=98.62, overall=49.31, KEGG ID=C01516, CAS \
ID=57-27-2 ]", "57-27-2"}}, {528.1969, 11.478286, "Meta"} -> 
    {{20868, 16355, 12952}, {"", ""}}, {460.2096, 11.476846, "Meta"} -> 
    {{11950, 1, 13078}, 
     {"Trp Gln Gln [ C21 H28 N6 O6, db=60.46, overall=30.23 ]", ""}}, 
   {311.2457, 11.484715, "Meta"} -> {{295148, 272525, 247808}, {"", ""}}, 
   {347.2489, 11.499638, "Meta"} -> {{48929, 39990, 40919}, {"", ""}}, 
   {356.2318, 11.490559, "Meta"} -> {{17013, 1, 1}, 
     {"Estradiol valerate [ C23 H32 O3, db=40.90, overall=20.45, Lipid \
ID=LMST02010039, KEGG ID=C12859 ]", ""}}, {344.1596, 11.518447, "Meta"} -> 
    {{262898, 1, 219891}, {"16-Hydroxy-4-carboxyretinoic acid [ C20 H24 O5, \
db=62.38, overall=31.19, KEGG ID=, CAS ID=99665-36-8 ]", "99665-36-8"}}, 
   {414.204, 11.526778, "Meta"} -> {{1, 60426, 1}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=76.96, overall=38.48 ]", ""}}, 
   {413.2931, 11.527801, "Meta"} -> {{87998, 61569, 66343}, {"", ""}}, 
   {449.3137, 11.528334, "Meta"} -> {{178499, 133998, 137527}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=91.01, overall=45.51, HMP \
ID=HMDB00708, KEGG ID= ]", ""}}, {431.3032, 11.527909, "Meta"} -> 
    {{167567, 150045, 151397}, {"", ""}}, {250.1557, 11.546168, "Meta"} -> 
    {{1, 47350, 31511}, {"Gemfibrozil [ C15 H22 O3, db=55.73, overall=27.87, \
KEGG ID=, CAS ID=25812-30-0 ]", "25812-30-0"}}, 
   {632.2483, 11.548585, "Meta"} -> {{526450, 118132, 1100683}, {"", ""}}, 
   {441.3298, 11.567675, "Meta"} -> {{54487, 46492, 51812}, {"", ""}}, 
   {424.3029, 11.567376, "Meta"} -> {{92220, 80631, 1}, 
     {"2alpha-Fluoro-19-nor-22-oxa-1alpha,25-dihydroxyvitamin D3 [ C25 H41 F \
O4, db=58.90, overall=29.45, Lipid ID=LMST03020616, KEGG ID= ]", ""}}, 
   {488.2383, 11.5761385, "Meta"} -> {{25266, 23764, 23765}, {"", ""}}, 
   {329.2389, 11.608471, "Meta"} -> {{1123048, 981209, 988021}, {"", ""}}, 
   {280.165, 11.619699, "Meta"} -> {{83251, 78655, 80590}, {"", ""}}, 
   {386.1862, 11.624001, "Meta"} -> {{31349, 31332, 26045}, {"", ""}}, 
   {386.2455, 11.630222, "Meta"} -> {{155754, 126815, 127997}, 
     {"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid [ C24 H34 O4, \
db=85.79, overall=42.90, Lipid ID=, KEGG ID= ]", ""}}, 
   {598.2424, 11.630831, "Meta"} -> {{47106, 28197, 49584}, {"", ""}}, 
   {735.4978, 11.632807, "Meta"} -> {{33834, 1, 30601}, 
     {"Dipalmitoylphosphatidylserine [ C38 H74 N O10 P, db=54.29, \
overall=27.15, HMP ID=HMDB00614, KEGG ID= ]", ""}}, 
   {370.3555, 11.634998, "Meta"} -> {{44915, 44798, 47596}, {"", ""}}, 
   {468.2595, 11.6322565, "Meta"} -> {{50376, 32867, 41625}, {"", ""}}, 
   {740.4531, 11.631467, "Meta"} -> {{43967, 35102, 39316}, {"", ""}}, 
   {477.1897, 11.660638, "Meta"} -> {{62646, 22221, 144241}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=85.23, overall=42.62, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {582.2477, 11.661, "Meta"} -> 
    {{36296, 20204, 36139}, {"Biliverdin IX [ C33 H34 N4 O6, db=87.31, \
overall=43.66, HMP ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", 
      " 114-25-0"}}, {354.2379, 11.661621, "Meta"} -> 
    {{23446, 25910, 1}, {"13,14-dihydro-15-keto-PGF2alpha [ C20 H34 O5, \
db=42.26, overall=21.13, Lipid ID=LMFA03010027, KEGG ID= ]", ""}}, 
   {520.2644, 11.689971, "Meta"} -> {{42874, 34775, 37711}, 
     {"Medroxyprogesterone glucuronide [ C28 H40 O9, db=48.42, overall=24.21, \
KEGG ID=, CAS ID= ]", ""}}, {485.356, 11.693, "Meta"} -> 
    {{54926, 43708, 50157}, {"", ""}}, {240.1703, 11.670438, "Meta"} -> 
    {{51907, 65631, 1}, {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ \
C14 H24 O3, db=65.39, overall=32.69, Lipid ID=, KEGG ID= ]", ""}}, 
   {439.2696, 11.698639, "Meta"} -> {{89951, 55590, 21601}, 
     {"GPA(17:1(9Z)/0:0) [ C20 H42 N O7 P, db=58.14, overall=29.07, Lipid \
ID=LMGP10050002, KEGG ID= ]", ""}}, {414.2039, 11.722752, "Meta"} -> 
    {{51980, 117549, 80524}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=70.02, overall=35.01 ]", ""}}, 
   {522.2801, 11.738907, "Meta"} -> {{1, 25188, 27396}, {"", ""}}, 
   {262.1541, 11.742794, "Meta"} -> {{28858, 23580, 22558}, {"", ""}}, 
   {272.2133, 11.744, "Meta"} -> {{54723, 44055, 41227}, {"", ""}}, 
   {588.2251, 11.747442, "Meta"} -> {{39263, 35176, 30276}, {"", ""}}, 
   {528.1907, 11.747131, "Meta"} -> {{19562, 1, 1}, {"", ""}}, 
   {371.3033, 11.768027, "Meta"} -> {{282344, 310921, 135496}, {"", ""}}, 
   {590.3101, 11.752577, "Meta"} -> {{1, 1, 1}, {"D-Urobilinogen [ C33 H42 N4 \
O6, db=61.46, overall=30.73, HMP ID=HMDB04158, KEGG ID= ]", ""}}, 
   {417.1435, 11.795814, "Meta"} -> {{14798, 1, 12398}, 
     {"Mefenamic acid Metabolite (b-D-Glucopyranuronic acid, \
1-[2-[(2,3-dimethylphenyl)amino]benzoate]) [ C21 H23 N O8, db=50.07, \
overall=25.03, KEGG ID=, CAS ID=102623-18-7 ]", "102623-18-7"}}, 
   {282.1151, 11.797542, "Meta"} -> {{53429, 43896, 40395}, {"", ""}}, 
   {342.145, 11.797485, "Meta"} -> {{45387, 1, 43363}, {"", ""}}, 
   {184.146, 11.798257, "Meta"} -> {{158749, 142948, 135910}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=82.08, overall=41.04, Lipid ID=, \
KEGG ID= ]", ""}}, {373.2647, 11.811193, "Meta"} -> 
    {{65446, 26339, 46240}, {"", ""}}, {299.2823, 11.815419, "Meta"} -> 
    {{108614, 78348, 79946}, {"3-Dehydrosphinganine [ C18 H37 N O2, db=94.66, \
overall=47.33, KEGG ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {251.2249, 11.800002, "Meta"} -> {{98033, 86187, 99162}, {"", ""}}, 
   {534.3375, 11.806134, "Meta"} -> {{56228, 54767, 44635}, {"", ""}}, 
   {465.3086, 11.805584, "Meta"} -> {{656800, 525335, 546265}, 
     {"Cholylglycine [ C26 H43 N O6, db=97.59, overall=48.80, KEGG ID=, CAS \
ID=475-31-0 ]", "475-31-0"}}, {429.2878, 11.80568, "Meta"} -> 
    {{22111, 25706, 18933}, {"", ""}}, {529.3823, 11.806334, "Meta"} -> 
    {{44065, 1, 1}, {"", ""}}, {518.2228, 11.805154, "Meta"} -> 
    {{19717, 14802, 13120}, {"26,26,26,27,27,27-hexafluoro-1alpha,25-dihydrox\
y-16,17,23,23,24,24-hexadehydrovitamin D3 / 26,26,26, [ C27 H32 F6 O3, \
db=61.57, overall=30.78, Lipid ID=LMST03020078, KEGG ID= ]", ""}}, 
   {585.3523, 11.805889, "Meta"} -> {{14925, 14017, 14289}, {"", ""}}, 
   {521.2284, 11.805668, "Meta"} -> {{20059, 13371, 16185}, {"", ""}}, 
   {414.204, 11.809854, "Meta"} -> {{55936, 102809, 97885}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=78.79, overall=39.40 ]", ""}}, 
   {431.2309, 11.812069, "Meta"} -> {{26368, 24746, 27649}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=56.36, overall=28.18 ]", ""}}, 
   {218.1664, 11.82626, "Meta"} -> {{25262, 29540, 25181}, 
     {"6,8,10,12-pentadecatetraenal [ C15 H22 O, db=57.54, overall=28.77, \
Lipid ID=, KEGG ID= ]", ""}}, {270.1153, 11.829969, "Meta"} -> 
    {{64437, 71038, 61821}, {"chloroprocaine [ C13 H19 Cl N2 O2, db=55.52, \
overall=27.76, KEGG ID=, CAS ID= ]", ""}}, {330.1401, 11.829573, "Meta"} -> 
    {{83151, 74350, 68026}, {"Desmethyl methotrimeprazine 5-sulfoxide [ C18 \
H22 N2 O2 S, db=85.40, overall=42.70, KEGG ID=, CAS ID=16808-77-8 ]", 
      "16808-77-8"}}, {172.146, 11.8296385, "Meta"} -> 
    {{129088, 156969, 159411}, {"3-methyl-nonanoic acid [ C10 H20 O2, \
db=89.90, overall=44.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {186.1616, 11.829715, "Meta"} -> {{97584, 91863, 93103}, 
     {"Undecylic acid [ C11 H22 O2, db=83.39, overall=41.70, KEGG ID=, CAS \
ID= ]", ""}}, {431.3031, 11.831061, "Meta"} -> {{61428, 53089, 53949}, 
     {"", ""}}, {471.2956, 11.832395, "Meta"} -> {{47850, 43395, 37896}, 
     {"", ""}}, {308.1988, 11.834726, "Meta"} -> {{44636, 31144, 39473}, 
     {"", ""}}, {355.2544, 11.8503895, "Meta"} -> {{284565, 235806, 234996}, 
     {"", ""}}, {346.1188, 11.835636, "Meta"} -> {{37951, 32539, 28984}, 
     {"Nifedipine [ C17 H18 N2 O6, db=50.63, overall=25.31, KEGG ID=C07266, \
CAS ID=21829-25-4 ]", "21829-25-4"}}, {276.1724, 11.846942, "Meta"} -> 
    {{81276, 66801, 1}, {"cyclandelate [ C17 H24 O3, db=63.51, overall=31.75, \
KEGG ID=, CAS ID=456-59-7 ]", "456-59-7"}}, {369.197, 11.842227, "Meta"} -> 
    {{39701, 23169, 29287}, {"", ""}}, {588.2903, 11.855272, "Meta"} -> 
    {{27332, 19568, 33083}, {"", ""}}, {330.1805, 11.858284, "Meta"} -> 
    {{197590, 173942, 138573}, {"16-Hydroxy-4-oxoretinoic acid [ C20 H26 O4, \
db=78.37, overall=39.19, KEGG ID=, CAS ID=107257-23-8 ]", "107257-23-8"}}, 
   {252.1358, 11.86086, "Meta"} -> {{56771, 33247, 31345}, {"", ""}}, 
   {290.1884, 11.862444, "Meta"} -> {{55142, 136423, 118648}, 
     {"8-hydroxy-17-octadecene-9,11-diynoic acid [ C18 H26 O3, db=62.31, \
overall=31.16, Lipid ID=, KEGG ID= ]", ""}}, {351.2187, 11.864862, "Meta"} -> 
    {{1, 38882, 96745}, {"", ""}}, {592.3258, 11.793964, "Meta"} -> 
    {{15094, 48787, 47446}, {"", ""}}, {309.2302, 11.861514, "Meta"} -> 
    {{1, 178546, 387157}, {"", ""}}, {447.2981, 11.879917, "Meta"} -> 
    {{555031, 465461, 517177}, {"", ""}}, {511.3273, 11.884157, "Meta"} -> 
    {{340542, 384536, 56104}, {"", ""}}, {280.1649, 11.8923235, "Meta"} -> 
    {{67874, 57712, 62470}, {"", ""}}, {705.4871, 11.893938, "Meta"} -> 
    {{40572, 35736, 1}, {"", ""}}, {291.2176, 11.896868, "Meta"} -> 
    {{296753, 231901, 212378}, {"Penbutolol [ C18 H29 N O2, db=57.95, \
overall=28.98, KEGG ID=C07416, CAS ID=38363-40-5 ]", "38363-40-5"}}, 
   {688.4606, 11.89371, "Meta"} -> {{66601, 1, 1}, {"", ""}}, 
   {267.2197, 11.913969, "Meta"} -> {{674298, 632904, 599123}, {"", ""}}, 
   {394.2926, 11.915362, "Meta"} -> {{178694, 40185, 152688}, {"", ""}}, 
   {251.2248, 11.917944, "Meta"} -> {{271493, 250343, 221888}, {"", ""}}, 
   {411.3194, 11.915528, "Meta"} -> {{89299, 72109, 85268}, {"", ""}}, 
   {256.219, 11.924389, "Meta"} -> {{78492, 73443, 85648}, {"", ""}}, 
   {610.2709, 11.924807, "Meta"} -> {{31277, 26244, 27007}, {"", ""}}, 
   {534.281, 11.92525, "Meta"} -> {{86978, 69700, 79584}, {"", ""}}, 
   {451.3145, 11.934751, "Meta"} -> {{29052, 25134, 27438}, {"", ""}}, 
   {224.1408, 11.931854, "Meta"} -> {{43933, 28114, 46926}, 
     {"Methyl jasmonate [ C13 H20 O3, db=49.28, overall=24.64, KEGG \
ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {456.2698, 11.934423, "Meta"} -> {{1, 1, 45951}, {"", ""}}, 
   {572.3308, 11.924665, "Meta"} -> {{20455, 18522, 18609}, {"", ""}}, 
   {428.2149, 11.942999, "Meta"} -> {{25081, 27568, 26970}, {"", ""}}, 
   {315.2772, 11.940305, "Meta"} -> {{1709520, 1577955, 1522999}, {"", ""}}, 
   {413.2462, 11.94091, "Meta"} -> {{67948, 61856, 44310}, {"", ""}}, 
   {297.2667, 11.941416, "Meta"} -> {{124594, 117738, 119050}, 
     {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ C18 H35 N O2, db=86.94, \
overall=43.47, KEGG ID=, CAS ID= ]", ""}}, {341.2728, 11.941767, "Meta"} -> 
    {{20066, 30102, 23111}, {"", ""}}, {314.0917, 11.9444475, "Meta"} -> 
    {{121477, 132105, 223620}, {"", ""}}, {261.1217, 11.955101, "Meta"} -> 
    {{77391, 1, 48225}, {"", ""}}, {379.2542, 11.973425, "Meta"} -> 
    {{38874, 37076, 36858}, {"", ""}}, {594.3415, 11.96689, "Meta"} -> 
    {{379328, 348053, 305860}, {"L-Urobilin [ C33 H46 N4 O6, db=74.87, \
overall=37.44, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {255.2196, 11.968827, "Meta"} -> {{62543, 63365, 52233}, {"", ""}}, 
   {414.2043, 11.974148, "Meta"} -> {{1, 52114, 12411}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=62.51, overall=31.26 ]", ""}}, 
   {312.2301, 11.973156, "Meta"} -> {{37782, 44995, 112343}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=65.73, \
overall=32.86, Lipid ID=, KEGG ID= ]", ""}}, {328.2254, 11.979709, "Meta"} -> 
    {{35652, 1, 49761}, {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 \
H32 O5, db=55.40, overall=27.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {196.1461, 11.97807, "Meta"} -> {{24644, 14078, 13501}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=60.16, overall=30.08, Lipid ID=, \
KEGG ID= ]", ""}}, {754.4684, 11.973702, "Meta"} -> 
    {{1, 47243, 1}, {"", ""}}, {749.5135, 11.97703, "Meta"} -> 
    {{40115, 34242, 39056}, {"", ""}}, {324.1915, 11.994925, "Meta"} -> 
    {{24644, 25276, 29722}, {"12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrien\
oic acid [ C18 H28 O5, db=57.41, overall=28.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {309.23, 11.97869, "Meta"} -> {{121711, 95341, 110230}, {"", ""}}, 
   {301.1142, 11.992531, "Meta"} -> {{98631, 128600, 107011}, {"", ""}}, 
   {331.2543, 12.023166, "Meta"} -> {{535452, 404416, 408832}, {"", ""}}, 
   {455.3454, 12.01464, "Meta"} -> {{104063, 86916, 99139}, {"", ""}}, 
   {438.3189, 12.015082, "Meta"} -> {{48367, 156966, 159604}, {"", ""}}, 
   {358.2328, 12.025667, "Meta"} -> {{863524, 426170, 151047}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=96.96, overall=48.48 ]", ""}}, 
   {311.152, 12.032904, "Meta"} -> {{74107, 71488, 52474}, {"", ""}}, 
   {353.2775, 12.026425, "Meta"} -> {{763485, 365959, 139020}, {"", ""}}, 
   {385.3189, 12.040938, "Meta"} -> {{1, 49893, 40791}, {"", ""}}, 
   {397.3187, 12.041324, "Meta"} -> {{283502, 285784, 128343}, {"", ""}}, 
   {798.4948, 12.054034, "Meta"} -> {{44944, 38592, 1}, {"", ""}}, 
   {793.5397, 12.054131, "Meta"} -> {{1, 28679, 34921}, {"", ""}}, 
   {590.3062, 12.072692, "Meta"} -> {{24946, 1, 19851}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=57.10, overall=28.55, HMP \
ID=HMDB04158, KEGG ID= ]", ""}}, {326.0038, 12.075236, "Meta"} -> 
    {{55907, 1, 183992}, {"", ""}}, {236.1403, 12.083773, "Meta"} -> 
    {{79540, 44794, 62722}, {"", ""}}, {252.1866, 12.082345, "Meta"} -> 
    {{26356, 1, 28163}, {"", ""}}, {586.209, 12.083833, "Meta"} -> 
    {{180703, 192214, 180909}, {"", ""}}, {350.155, 12.082278, "Meta"} -> 
    {{96601, 74786, 80414}, {"", ""}}, {526.1727, 12.085113, "Meta"} -> 
    {{157382, 74434, 147462}, {"", ""}}, {466.1347, 12.082086, "Meta"} -> 
    {{108487, 111142, 107861}, {"", ""}}, {270.1981, 12.084306, "Meta"} -> 
    {{336635, 285959, 262992}, {"", ""}}, {412.1294, 12.085416, "Meta"} -> 
    {{126712, 114164, 114480}, {"", ""}}, {368.1654, 12.082582, "Meta"} -> 
    {{114943, 94607, 99858}, {"Testosterone sulfate [ C19 H28 O5 S, db=92.27, \
overall=46.13, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {498.1664, 12.083362, "Meta"} -> {{48629, 35424, 41440}, {"", ""}}, 
   {616.2339, 12.084806, "Meta"} -> {{96658, 84929, 83723}, {"", ""}}, 
   {243.2196, 12.102666, "Meta"} -> {{67890, 40707, 65448}, 
     {"2-amino-tetradecanoic acid [ C14 H29 N O2, db=84.12, overall=42.06, \
Lipid ID=, KEGG ID= ]", ""}}, {482.3452, 12.104295, "Meta"} -> 
    {{183904, 152921, 1}, {"", ""}}, {234.1617, 12.111666, "Meta"} -> 
    {{64936, 56817, 56946}, {"", ""}}, {248.1769, 12.122094, "Meta"} -> 
    {{63050, 1, 71984}, {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, \
db=79.54, overall=39.77, Lipid ID=, KEGG ID= ]", ""}}, 
   {291.2195, 12.120156, "Meta"} -> {{109911, 64338, 68615}, 
     {"Penbutolol [ C18 H29 N O2, db=68.40, overall=34.20, KEGG ID=C07416, \
CAS ID=38363-40-5 ]", "38363-40-5"}}, {837.5658, 12.128968, "Meta"} -> 
    {{26552, 25609, 28619}, {"", ""}}, {342.1837, 12.136654, "Meta"} -> 
    {{21969, 21350, 1}, {"Acitretin Ro 23-4750 [ C21 H26 O4, db=77.85, \
overall=38.93, KEGG ID=, CAS ID=121785-73-7 ]", "121785-73-7"}}, 
   {264.1359, 12.146778, "Meta"} -> {{457798, 412369, 406114}, {"", ""}}, 
   {222.1252, 12.146971, "Meta"} -> {{61815, 57758, 1}, 
     {"Hydroxyibuprofen [ C13 H18 O3, db=74.22, overall=37.11, KEGG ID=, CAS \
ID=51146-55-5 ]", "51146-55-5"}}, {296.1624, 12.147417, "Meta"} -> 
    {{79185, 73858, 77270}, {"Lactone of PGF-MUM [ C16 H24 O5, db=79.76, \
overall=39.88, KEGG ID=, CAS ID= ]", ""}}, {282.1466, 12.147778, "Meta"} -> 
    {{733889, 653707, 642985}, {"Artemisinin [ C15 H22 O5, db=99.12, \
overall=49.56, KEGG ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {341.2723, 12.151607, "Meta"} -> {{12788, 17403, 18830}, {"", ""}}, 
   {380.1164, 12.147638, "Meta"} -> {{32333, 32663, 27123}, 
     {"Cys Gln Met [ C13 H24 N4 O5 S2, db=68.35, overall=34.18 ]", ""}}, 
   {306.1804, 12.177001, "Meta"} -> {{29842, 1, 36537}, 
     {"Tetranor Iloprost [ C18 H26 O4, db=63.70, overall=31.85, KEGG ID=, CAS \
ID=93220-69-0 ]", "93220-69-0"}}, {402.1937, 12.148144, "Meta"} -> 
    {{45850, 52476, 45722}, 
     {"Pro Trp Thr [ C20 H26 N4 O5, db=72.34, overall=36.17 ]", ""}}, 
   {297.2667, 12.156, "Meta"} -> {{1, 70989, 69995}, 
     {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ C18 H35 N O2, db=77.59, \
overall=38.79, KEGG ID=, CAS ID= ]", ""}}, {315.2772, 12.155445, "Meta"} -> 
    {{1035087, 1174882, 1153307}, {"", ""}}, {413.2455, 12.157277, "Meta"} -> 
    {{57225, 58148, 1}, {"", ""}}, {313.2615, 12.160829, "Meta"} -> 
    {{270597, 274290, 93463}, {"", ""}}, {311.1518, 12.180069, "Meta"} -> 
    {{39086, 40800, 30310}, {"", ""}}, {299.9847, 12.185141, "Meta"} -> 
    {{2569066, 1531913, 1763327}, {"", ""}}, 
   {318.1804, 12.2324295, "Meta"} -> {{63044, 60353, 44041}, 
     {"Ubiquinone (Q2) [ C19 H26 O4, db=42.47, overall=21.23, KEGG ID=, CAS \
ID=606-06-4 ]", "606-06-4"}}, {606.2023, 12.187666, "Meta"} -> 
    {{48544, 45527, 41612}, {"", ""}}, {462.2252, 12.1875, "Meta"} -> 
    {{186463, 178356, 170894}, {"Hydrocortisone succinate [ C25 H34 O8, \
db=96.63, overall=48.31, Lipid ID=LMST02030126, KEGG ID=C12888 ]", ""}}, 
   {525.2572, 12.187778, "Meta"} -> {{89892, 83002, 84379}, {"", ""}}, 
   {568.2631, 12.187808, "Meta"} -> {{24197, 25483, 28694}, {"", ""}}, 
   {621.1704, 12.188378, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {530.2126, 12.187939, "Meta"} -> {{207614, 185383, 171406}, 
     {"Trp Tyr Tyr [ C29 H30 N4 O6, db=72.13, overall=36.06 ]", ""}}, 
   {377.2329, 12.190221, "Meta"} -> {{323575, 237267, 256155}, 
     {"Val Leu Phe [ C20 H31 N3 O4, db=88.80, overall=44.40 ]", ""}}, 
   {628.2743, 12.1870985, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {420.2121, 12.200396, "Meta"} -> {{33773, 27582, 27234}, {"", ""}}, 
   {228.1723, 12.197486, "Meta"} -> {{52486, 42867, 126998}, 
     {"10-keto tridecanoic acid [ C13 H24 O3, db=61.20, overall=30.60, Lipid \
ID=LMFA01060042, KEGG ID= ]", ""}}, {372.191, 12.199401, "Meta"} -> 
    {{33410, 33856, 39621}, {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=56.89, \
overall=28.44, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {357.2698, 12.228862, "Meta"} -> {{717720, 546209, 558702}, {"", ""}}, 
   {199.1932, 12.220861, "Meta"} -> {{365879, 396474, 300532}, 
     {"dodecanamide [ C12 H25 N O, db=98.45, overall=49.22, Lipid ID=, KEGG \
ID= ]", ""}}, {259.2255, 12.222748, "Meta"} -> {{95131, 107447, 79127}, 
     {"", ""}}, {269.235, 12.2237425, "Meta"} -> {{1, 68642, 66755}, 
     {"", ""}}, {719.5028, 12.228621, "Meta"} -> {{34557, 1, 28568}, 
     {"", ""}}, {664.2384, 12.227905, "Meta"} -> {{44086, 1, 72565}, 
     {"", ""}}, {248.1768, 12.233333, "Meta"} -> {{24182, 20390, 1}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=72.21, \
overall=36.10, Lipid ID=, KEGG ID= ]", ""}}, {284.1987, 12.237692, "Meta"} -> 
    {{109888, 103935, 107625}, {"", ""}}, {262.1929, 12.242998, "Meta"} -> 
    {{842665, 697284, 711641}, {"5,8-heptadecadiynoic acid [ C17 H26 O2, \
db=98.55, overall=49.28, Lipid ID=, KEGG ID= ]", ""}}, 
   {533.3115, 12.239881, "Meta"} -> {{118972, 91341, 48199}, {"", ""}}, 
   {302.1855, 12.243556, "Meta"} -> {{748477, 636427, 657882}, 
     {"2-Methoxyestradiol [ C19 H26 O3, db=76.71, overall=38.36, HMP \
ID=HMDB00405, KEGG ID= ]", ""}}, {436.1856, 12.235857, "Meta"} -> 
    {{31885, 45234, 36098}, {"", ""}}, {596.3558, 12.249497, "Meta"} -> 
    {{30029, 23461, 27772}, {"", ""}}, {242.188, 12.252134, "Meta"} -> 
    {{100146, 1, 76731}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
db=63.43, overall=31.71, Lipid ID=, KEGG ID= ]", ""}}, 
   {614.3666, 12.251577, "Meta"} -> {{52163, 34912, 35987}, {"", ""}}, 
   {512.1788, 12.245139, "Meta"} -> {{23907, 17672, 21148}, 
     {"10S,11R-epoxy-punaglandin 3 [ C25 H33 Cl O9, db=53.22, overall=26.61, \
Lipid ID=LMFA03120039, KEGG ID= ]", ""}}, {376.1882, 12.266801, "Meta"} -> 
    {{102020, 115882, 101749}, 
     {"Arg Val Cys [ C14 H28 N6 O4 S, db=75.82, overall=37.91 ]", ""}}, 
   {580.2321, 12.270332, "Meta"} -> {{179968, 149406, 214411}, {"", ""}}, 
   {630.2687, 12.26936, "Meta"} -> {{114400, 110130, 119796}, {"", ""}}, 
   {612.2583, 12.2699175, "Meta"} -> {{117760, 114668, 126298}, {"", ""}}, 
   {672.2793, 12.270498, "Meta"} -> {{86759, 80605, 90043}, {"", ""}}, 
   {658.2637, 12.2717495, "Meta"} -> {{31037, 31594, 31888}, {"", ""}}, 
   {644.2843, 12.27025, "Meta"} -> {{275216, 264674, 282087}, {"", ""}}, 
   {298.2154, 12.269302, "Meta"} -> {{38083, 53869, 45279}, 
     {"8E-Heptadecenedioic acid [ C17 H30 O4, db=61.18, overall=30.59, Lipid \
ID=, KEGG ID= ]", ""}}, {336.1262, 12.278805, "Meta"} -> 
    {{49108, 36820, 39945}, {"", ""}}, {238.1567, 12.281195, "Meta"} -> 
    {{583750, 462347, 509089}, {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 \
H22 O3, db=97.15, overall=48.57, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {423.3348, 12.288555, "Meta"} -> {{1222472, 1261719, 551340}, {"", ""}}, 
   {311.2457, 12.286498, "Meta"} -> {{469166, 536054, 507483}, {"", ""}}, 
   {374.2429, 12.298686, "Meta"} -> {{40203, 67255, 61743}, 
     {"Digitoxigenin [ C23 H34 O4, db=53.68, overall=26.84, KEGG ID=, CAS \
ID=143-62-4 ]", "143-62-4"}}, {477.1899, 12.302515, "Meta"} -> 
    {{35442, 1, 54569}, {"3,5-Pyridinedicarboxylic acid, \
2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino] [ C26 \
H27 N3 O6, db=59.31, overall=29.66, KEGG ID=, CAS ID=59875-58-0 ]", 
      "59875-58-0"}}, {768.4842, 12.295834, "Meta"} -> 
    {{48205, 31540, 42281}, {"", ""}}, {369.2874, 12.299877, "Meta"} -> 
    {{1, 1, 37241}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, db=64.19, \
overall=32.09, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {763.5288, 12.296454, "Meta"} -> {{37956, 30119, 36113}, {"", ""}}, 
   {314.1884, 12.299144, "Meta"} -> {{54080, 70342, 83365}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=70.86, overall=35.43, KEGG ID=, \
CAS ID=38030-57-8 ]", "38030-57-8"}}, {271.2523, 12.302779, "Meta"} -> 
    {{116404, 125385, 31762}, {"2R-aminohexadecanoic acid [ C16 H33 N O2, \
db=52.07, overall=26.04, Lipid ID=, KEGG ID= ]", ""}}, 
   {625.346, 12.299999, "Meta"} -> {{253415, 376455, 238411}, 
     {"Glycochenodeoxycholic acid 3-glucuronide [ C32 H51 N O11, db=99.35, \
overall=49.68, HMP ID=HMDB02579, KEGG ID= ]", ""}}, 
   {342.1463, 12.310115, "Meta"} -> {{34603, 43081, 1}, {"", ""}}, 
   {663.2926, 12.299033, "Meta"} -> {{43801, 30253, 35379}, {"", ""}}, 
   {372.2661, 12.3107815, "Meta"} -> {{51436, 26993, 37827}, 
     {"(22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid [ C24 H36 O3, db=66.95, \
overall=33.48, Lipid ID=, KEGG ID= ]", ""}}, {329.2566, 12.319615, "Meta"} -> 
    {{15597, 1, 11949}, {"", ""}}, {265.2404, 12.332487, "Meta"} -> 
    {{63305, 57432, 56474}, {"", ""}}, {305.2328, 12.322701, "Meta"} -> 
    {{50172, 42589, 37176}, {"", ""}}, {230.1879, 12.337853, "Meta"} -> 
    {{90301, 1, 72130}, {"4-hydroxy-tridecanoic acid [ C13 H26 O3, db=63.86, \
overall=31.93, Lipid ID=, KEGG ID= ]", ""}}, {631.4503, 12.339085, "Meta"} -> 
    {{1, 1, 72453}, {"", ""}}, {312.1359, 12.347117, "Meta"} -> 
    {{62014, 60269, 46330}, {"", ""}}, {388.2607, 12.350721, "Meta"} -> 
    {{52466, 50437, 29758}, {"7,12-Dioxo-5beta-cholan-24-oic Acid [ C24 H36 \
O4, db=77.22, overall=38.61, Lipid ID=, KEGG ID= ]", ""}}, 
   {328.2249, 12.339256, "Meta"} -> {{187082, 153196, 195728}, 
     {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 H32 O5, db=76.40, \
overall=38.20, Lipid ID=, KEGG ID= ]", ""}}, {425.3361, 12.35692, "Meta"} -> 
    {{139743, 98484, 105199}, {"", ""}}, {408.3088, 12.36271, "Meta"} -> 
    {{149895, 126046, 132190}, {"", ""}}, {281.2354, 12.3655615, "Meta"} -> 
    {{155772, 97924, 184803}, {"", ""}}, {360.1656, 12.382274, "Meta"} -> 
    {{69465, 60085, 54783}, 
     {"Leu Asn Asp [ C14 H24 N4 O7, db=77.19, overall=38.60 ]", ""}}, 
   {338.2439, 12.380382, "Meta"} -> {{84681, 79909, 55723}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=74.85, overall=37.42, KEGG ID=, \
CAS ID= ]", ""}}, {436.1472, 12.383839, "Meta"} -> {{36741, 1, 1}, {"", ""}}, 
   {376.1198, 12.386286, "Meta"} -> {{41235, 42786, 45720}, 
     {"Asp Asn Glu [ C13 H20 N4 O9, db=55.52, overall=27.76 ]", ""}}, 
   {278.1519, 12.387778, "Meta"} -> {{3119666, 3306433, 3483945}, {"", ""}}, 
   {148.0158, 12.3895, "Meta"} -> {{319357, 355659, 372363}, {"", ""}}, 
   {204.0784, 12.3909445, "Meta"} -> {{183531, 206825, 226897}, {"", ""}}, 
   {396.2873, 12.403235, "Meta"} -> {{162719, 151114, 151220}, 
     {"PGF2alpha isopropyl ester [ C23 H40 O5, db=87.08, overall=43.54, Lipid \
ID=LMFA03010076, KEGG ID= ]", ""}}, {276.17, 12.37928, "Meta"} -> 
    {{13623, 11366, 11738}, {"cyclandelate [ C17 H24 O3, db=51.06, \
overall=25.53, KEGG ID=, CAS ID=456-59-7 ]", "456-59-7"}}, 
   {607.326, 12.407581, "Meta"} -> {{50905, 48606, 54910}, {"", ""}}, 
   {675.4764, 12.4054, "Meta"} -> {{61390, 1, 54850}, {"", ""}}, 
   {487.2618, 12.410424, "Meta"} -> {{119389, 103768, 107956}, {"", ""}}, 
   {562.256, 12.410714, "Meta"} -> {{1, 41703, 45883}, 
     {"Protoporphyrin [ C34 H34 N4 O4, db=79.79, overall=39.90, KEGG \
ID=C01079, CAS ID=553-12-8 ]", "553-12-8"}}, {547.2891, 12.410121, "Meta"} -> 
    {{107465, 126761, 119932}, {"", ""}}, {449.3139, 12.410828, "Meta"} -> 
    {{3575364, 3060636, 3140491}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, \
db=99.45, overall=49.73, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {505.2336, 12.410571, "Meta"} -> {{59395, 47641, 43652}, {"", ""}}, 
   {431.3035, 12.411553, "Meta"} -> {{1504603, 1352830, 1351016}, {"", ""}}, 
   {413.2934, 12.41158, "Meta"} -> {{541166, 469462, 516548}, {"", ""}}, 
   {491.3008, 12.412041, "Meta"} -> {{1, 28186, 21241}, {"", ""}}, 
   {1312.7719, 12.4140005, "Meta"} -> {{30038, 25500, 31493}, {"", ""}}, 
   {851.5811, 12.417131, "Meta"} -> {{35572, 28767, 31865}, 
     {"C20-OHSulfatide [ C44 H85 N O12 S, db=89.76, overall=44.88, Lipid \
ID=LMSP06020005, KEGG ID= ]", ""}}, {467.301, 12.424151, "Meta"} -> 
    {{1221840, 731275, 461747}, {"Myristoyl L-a-lysophosphatidylcholine [ C22 \
H46 N O7 P, db=96.32, overall=48.16, KEGG ID=, CAS ID=20559-16-4 ]", 
      "20559-16-4"}}, {469.361, 12.42775, "Meta"} -> 
    {{167134, 137479, 153015}, {"", ""}}, {452.3344, 12.426857, "Meta"} -> 
    {{1, 275201, 270854}, {"", ""}}, {505.2485, 12.426792, "Meta"} -> 
    {{57223, 38506, 26338}, {"", ""}}, {863.4587, 12.424135, "Meta"} -> 
    {{32907, 28205, 28532}, {"", ""}}, {614.2372, 12.435374, "Meta"} -> 
    {{25090, 1, 21897}, {"", ""}}, {324.0821, 12.4366255, "Meta"} -> 
    {{103104, 14222, 254432}, {"", ""}}, {274.2141, 12.443, "Meta"} -> 
    {{820687, 558584, 344370}, {"2,15-dihydroxy-pentadecylic acid [ C15 H30 \
O4, db=98.78, overall=49.39, Lipid ID=LMFA01050082, KEGG ID= ]", ""}}, 
   {256.2038, 12.44312, "Meta"} -> {{49217, 40569, 23857}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=62.07, overall=31.03, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {352.171, 12.430658, "Meta"} -> 
    {{46876, 34675, 44106}, {"", ""}}, {370.1815, 12.436501, "Meta"} -> 
    {{100253, 48480, 50846}, {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 \
H30 O5 S, db=68.09, overall=34.04, KEGG ID=, CAS ID=977-36-6 ]", 
      "977-36-6"}}, {500.1792, 12.433194, "Meta"} -> 
    {{31467, 23600, 28308}, {"gamma-Hydroxyphenylbutazone glucuronide [ C25 \
H28 N2 O9, db=72.50, overall=36.25, KEGG ID=, CAS ID= ]", ""}}, 
   {588.225, 12.436315, "Meta"} -> {{80108, 79174, 76564}, {"", ""}}, 
   {504.2695, 12.450472, "Meta"} -> {{132058, 110846, 112136}, {"", ""}}, 
   {528.189, 12.4353895, "Meta"} -> {{64647, 59004, 62167}, {"", ""}}, 
   {414.1453, 12.441296, "Meta"} -> {{42953, 1, 1}, {"", ""}}, 
   {270.2135, 12.456722, "Meta"} -> {{484043, 343138, 339430}, {"", ""}}, 
   {292.167, 12.460268, "Meta"} -> {{70986, 106083, 115219}, {"", ""}}, 
   {719.5026, 12.466721, "Meta"} -> {{45098, 37983, 42335}, {"", ""}}, 
   {399.3347, 12.47114, "Meta"} -> {{2005920, 1982340, 995654}, 
     {"Palmitoylcarnitine [ C23 H45 N O4, db=99.77, overall=49.89, Lipid \
ID=LMFA07070004, KEGG ID=C02990 ]", ""}}, {182.1666, 12.464886, "Meta"} -> 
    {{46084, 39483, 36666}, {"7E,9Z-dodecadien-1-ol [ C12 H22 O, db=80.52, \
overall=40.26, Lipid ID=, KEGG ID= ]", ""}}, {242.1878, 12.468251, "Meta"} -> 
    {{161474, 387736, 388234}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 \
O3, db=62.18, overall=31.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {895.6074, 12.470839, "Meta"} -> {{35038, 1, 1}, {"", ""}}, 
   {496.3607, 12.486807, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {513.3873, 12.487667, "Meta"} -> {{213401, 186326, 203142}, {"", ""}}, 
   {384.1933, 12.488749, "Meta"} -> {{58873, 66120, 66811}, {"", ""}}, 
   {250.1204, 12.488947, "Meta"} -> {{28869, 39223, 38428}, 
     {"Ubiquinone [ C14 H18 O4, db=74.11, overall=37.06, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {409.3186, 12.504228, "Meta"} -> 
    {{23822, 28278, 25467}, {"", ""}}, {374.2808, 12.501667, "Meta"} -> 
    {{76421, 85751, 69894}, {"3beta-Hydroxychol-4-en-24-oic Acid [ C24 H38 \
O3, db=92.13, overall=46.07, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2756, 12.501445, "Meta"} -> {{118761, 106258, 101519}, {"", ""}}, 
   {356.2712, 12.505676, "Meta"} -> {{154094, 121137, 90715}, 
     {"4,8,12,15,19,21-tetracosahexaenoic acid [ C24 H36 O2, db=94.78, \
overall=47.39, Lipid ID=, KEGG ID= ]", ""}}, {546.153, 12.509251, "Meta"} -> 
    {{29910, 19400, 26946}, {"", ""}}, {331.2721, 12.510544, "Meta"} -> 
    {{23555, 20001, 27329}, {"", ""}}, {449.314, 12.51639, "Meta"} -> 
    {{6467880, 5406841, 5761291}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, \
db=99.24, overall=49.62, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {562.2545, 12.516361, "Meta"} -> {{84561, 66895, 58217}, 
     {"Protoporphyrin [ C34 H34 N4 O4, db=70.11, overall=35.05, KEGG \
ID=C01079, CAS ID=553-12-8 ]", "553-12-8"}}, {505.2343, 12.514931, "Meta"} -> 
    {{75438, 62166, 53650}, {"", ""}}, {487.2613, 12.517092, "Meta"} -> 
    {{162727, 150249, 139797}, {"", ""}}, {942.5912, 12.517724, "Meta"} -> 
    {{79412, 55050, 71003}, {"", ""}}, {391.3102, 12.521373, "Meta"} -> 
    {{162373, 137900, 123663}, {"N,N-(2,2-dihydroxy-ethyl) arachidonoyl amine \
[ C24 H41 N O3, db=41.49, overall=20.74, Lipid ID=LMFA08020028, KEGG ID= ]", 
      ""}}, {768.484, 12.522172, "Meta"} -> {{32317, 27241, 27276}, 
     {"", ""}}, {547.2912, 12.518182, "Meta"} -> {{144042, 172632, 175259}, 
     {"", ""}}, {763.5285, 12.522705, "Meta"} -> {{37428, 31334, 34206}, 
     {"", ""}}, {612.2584, 12.528093, "Meta"} -> {{126849, 159250, 65810}, 
     {"", ""}}, {537.3427, 12.543621, "Meta"} -> {{82201, 72295, 1}, 
     {"GPEtn(10:0/11:0)[U] [ C26 H52 N O8 P, db=59.82, overall=29.91, Lipid \
ID=LMGP02010053, KEGG ID= ]", ""}}, {425.2543, 12.535178, "Meta"} -> 
    {{50994, 43320, 26265}, {"GPEtn(14:0/0:0) [ C19 H40 N O7 P, db=66.09, \
overall=33.05, Lipid ID=LMGP02050003, KEGG ID= ]", ""}}, 
   {557.4136, 12.545144, "Meta"} -> {{236534, 209363, 225981}, {"", ""}}, 
   {355.2721, 12.554709, "Meta"} -> {{164039, 1, 139578}, {"", ""}}, 
   {225.2089, 12.554222, "Meta"} -> {{178786, 124497, 140676}, {"", ""}}, 
   {650.3645, 12.549894, "Meta"} -> {{1, 29870, 31056}, 
     {"Digoxigenin bisdigitoxoside [ C35 H54 O11, db=73.18, overall=36.59, \
KEGG ID=, CAS ID=5297-05-2 ]", "5/2/97"}}, {580.2348, 12.5748005, "Meta"} -> 
    {{149631, 118804, 87410}, {"", ""}}, {501.3662, 12.573688, "Meta"} -> 
    {{86665, 85517, 96011}, {"", ""}}, {434.2881, 12.585032, "Meta"} -> 
    {{3315873, 1.13*^7, 1}, {"(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavit\
amin D3 3-oxide / (5Z)-(3S)-1alpha,25-dihydroxy-3-deo [ C26 H42 O3 S, \
db=73.08, overall=36.54, Lipid ID=LMST03020052, KEGG ID= ]", ""}}, 
   {467.3008, 12.5836935, "Meta"} -> {{1.06*^7, 6235046, 4232146}, 
     {"Myristoyl L-a-lysophosphatidylcholine [ C22 H46 N O7 P, db=97.87, \
overall=48.94, KEGG ID=, CAS ID=20559-16-4 ]", "20559-16-4"}}, 
   {505.2486, 12.583806, "Meta"} -> {{562289, 357580, 245831}, {"", ""}}, 
   {565.2755, 12.582859, "Meta"} -> {{363119, 278274, 210047}, 
     {" [ C32 H39 N O8, overall=43.39, mfg=86.78 ]", ""}}, 
   {451.3146, 12.585577, "Meta"} -> {{1468529, 5794062, 69891}, {"", ""}}, 
   {279.2563, 12.585971, "Meta"} -> {{959920, 1, 962331}, {"", ""}}, 
   {319.2485, 12.586908, "Meta"} -> {{709830, 1, 841855}, 
     {"N-hydroxy arachidonoyl amine [ C20 H33 N O2, db=80.38, overall=40.19, \
Lipid ID=LMFA08020029, KEGG ID= ]", ""}}, {625.3125, 12.582887, "Meta"} -> 
    {{67126, 61332, 41605}, {"", ""}}, {499.2697, 12.597638, "Meta"} -> 
    {{440955, 369575, 402817}, {"", ""}}, {584.4132, 12.599159, "Meta"} -> 
    {{331023, 265313, 281632}, {"", ""}}, {601.4399, 12.599721, "Meta"} -> 
    {{236900, 206409, 226083}, {"", ""}}, {246.2193, 12.616779, "Meta"} -> 
    {{111973, 93036, 91553}, {"", ""}}, {367.4175, 12.6358, "Meta"} -> 
    {{16145, 18646, 17871}, {"", ""}}, {579.2638, 12.629876, "Meta"} -> 
    {{181481, 103417, 105926}, {"", ""}}, {541.3169, 12.629602, "Meta"} -> 
    {{2030348, 909393, 620701}, {"", ""}}, {639.2913, 12.632768, "Meta"} -> 
    {{52068, 14393, 40767}, 
     {" [ C33 H41 N3 O10, db=0.00, overall=27.22, mfg=54.45 ]", ""}}, 
   {425.3506, 12.640696, "Meta"} -> {{3220149, 3195993, 1597842}, {"", ""}}, 
   {185.1413, 12.638656, "Meta"} -> {{108205, 101766, 99449}, 
     {"N-methyl-Gabapentin [ C10 H19 N O2, db=81.22, overall=40.61, KEGG ID=, \
CAS ID=102937-74-6 ]", "102937-74-6"}}, {285.2666, 12.643584, "Meta"} -> 
    {{1, 1, 1}, {"C17 Sphingosine [ C17 H35 N O2, db=57.52, overall=28.76, \
Lipid ID=LMSP01040002, KEGG ID= ]", ""}}, {327.277, 12.625759, "Meta"} -> 
    {{1, 76874, 68258}, {"", ""}}, {821.5705, 12.638498, "Meta"} -> 
    {{28002, 1, 25104}, {"", ""}}, {268.24, 12.642863, "Meta"} -> 
    {{88422, 91559, 49180}, {"9-heptadecylenic acid [ C17 H32 O2, db=79.16, \
overall=39.58, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {545.3922, 12.643999, "Meta"} -> {{69974, 82173, 82825}, {"", ""}}, 
   {302.1891, 12.6535015, "Meta"} -> {{1, 22427, 21007}, 
     {"2-Methoxyestradiol [ C19 H26 O3, db=65.37, overall=32.69, HMP \
ID=HMDB00405, KEGG ID= ]", ""}}, {650.4213, 12.651346, "Meta"} -> 
    {{238918, 189442, 208450}, {"", ""}}, {645.466, 12.651555, "Meta"} -> 
    {{227093, 192486, 215073}, {"", ""}}, {335.2434, 12.66379, "Meta"} -> 
    {{631846, 637205, 637220}, {"", ""}}, {256.2034, 12.661515, "Meta"} -> 
    {{87486, 31402, 122026}, {"11-keto pentadecanoic acid [ C15 H28 O3, \
db=61.28, overall=30.64, Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, 
   {493.3169, 12.66411, "Meta"} -> {{1503789, 928908, 922357}, {"", ""}}, 
   {531.2641, 12.663871, "Meta"} -> {{136076, 87585, 66201}, {"", ""}}, 
   {590.3068, 12.671346, "Meta"} -> {{51217, 1, 39479}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=52.07, overall=26.03, HMP \
ID=HMDB04158, KEGG ID= ]", ""}}, {396.1935, 12.680503, "Meta"} -> 
    {{72137, 92459, 75587}, {"Pregnenolone sulfate [ C21 H32 O5 S, db=36.59, \
overall=18.29, HMP ID=HMDB00774, KEGG ID= ]", ""}}, 
   {632.5102, 12.680666, "Meta"} -> {{97144, 89892, 86847}, {"", ""}}, 
   {865.5968, 12.684233, "Meta"} -> {{30473, 1, 25015}, {"", ""}}, 
   {395.2349, 12.689027, "Meta"} -> {{87734, 95798, 88330}, {"", ""}}, 
   {379.2488, 12.687057, "Meta"} -> {{1142767, 1020756, 962472}, 
     {"Sphingosine-1-phosphate [ C18 H38 N O5 P, db=99.36, overall=49.68, \
KEGG ID=, CAS ID=26993-30-6 ]", "26993-30-6"}}, 
   {319.2487, 12.687944, "Meta"} -> {{2192180, 2949793, 1925702}, 
     {"N-hydroxy arachidonoyl amine [ C20 H33 N O2, db=82.57, overall=41.29, \
Lipid ID=LMFA08020029, KEGG ID= ]", ""}}, {279.2564, 12.689749, "Meta"} -> 
    {{2972243, 3693364, 2922629}, {"", ""}}, {342.3243, 12.690058, "Meta"} -> 
    {{85100, 122218, 94393}, {"", ""}}, {352.236, 12.696232, "Meta"} -> 
    {{1, 1, 253964}, {"", ""}}, {180.0781, 12.695332, "Meta"} -> 
    {{48826, 42698, 84678}, {"o-Methoxyhydrocinnamic acid [ C10 H12 O3, \
db=82.64, overall=41.32, KEGG ID=, CAS ID= ]", ""}}, 
   {314.1855, 12.695227, "Meta"} -> {{1, 145666, 551648}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=73.03, overall=36.52, KEGG ID=, \
CAS ID=38030-57-8 ]", "38030-57-8"}}, {309.2304, 12.69561, "Meta"} -> 
    {{475139, 299862, 904449}, {"", ""}}, {475.2699, 12.694333, "Meta"} -> 
    {{234886, 212941, 139183}, {"", ""}}, {236.1406, 12.695944, "Meta"} -> 
    {{25986, 26565, 62716}, {"", ""}}, {689.4924, 12.699888, "Meta"} -> 
    {{193407, 170393, 184098}, {"", ""}}, {672.4659, 12.699749, "Meta"} -> 
    {{167352, 199605, 207681}, {"", ""}}, {609.351, 12.6962595, "Meta"} -> 
    {{140566, 121872, 149449}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl [ C32 H51 N O10, \
db=94.76, overall=47.38, HMP ID=HMDB02474, KEGG ID= ]", ""}}, 
   {382.2147, 12.704666, "Meta"} -> {{67841, 68884, 58015}, 
     {"3,12-Dioxochola-1,4,9(11)-trien-24-oic Acid [ C24 H30 O4, db=73.34, \
overall=36.67, Lipid ID=, KEGG ID= ]", ""}}, {589.4187, 12.706942, "Meta"} -> 
    {{61077, 56348, 60506}, {"", ""}}, {307.2718, 12.7117195, "Meta"} -> 
    {{23881, 18012, 22639}, {"", ""}}, {270.2192, 12.709618, "Meta"} -> 
    {{84385, 67448, 83257}, {"3-keto palmitic acid [ C16 H30 O3, db=85.03, \
overall=42.52, Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, 
   {537.217, 12.694345, "Meta"} -> {{30658, 28136, 39074}, {"", ""}}, 
   {499.2698, 12.711946, "Meta"} -> {{383354, 314034, 228786}, {"", ""}}, 
   {300.2299, 12.716436, "Meta"} -> {{98060, 43158, 278398}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=79.78, overall=39.89, \
Lipid ID=, KEGG ID= ]", ""}}, {630.4941, 12.715778, "Meta"} -> 
    {{43752, 52472, 52269}, {"", ""}}, {252.2085, 12.716553, "Meta"} -> 
    {{23416, 1, 56447}, {"2E,4E-hexadecadienoic acid [ C16 H28 O2, db=73.15, \
overall=36.57, Lipid ID=, KEGG ID= ]", ""}}, {914.5783, 12.727905, "Meta"} -> 
    {{40254, 29895, 34080}, {"", ""}}, {280.2014, 12.73493, "Meta"} -> 
    {{48931, 42834, 70903}, 
     {"12S-HHTrE [ C17 H28 O3, db=42.31, overall=21.16, KEGG ID=, CAS ID= ]", 
      ""}}, {329.2928, 12.71444, "Meta"} -> {{378501, 981023, 993599}, 
     {"", ""}}, {355.2179, 12.744277, "Meta"} -> {{82203, 79165, 82249}, 
     {"p-Hydroxypropoxyphene [ C22 H29 N O3, db=63.66, overall=31.83, KEGG \
ID=, CAS ID=43117-32-4 ]", "43117-32-4"}}, {240.2085, 12.740068, "Meta"} -> 
    {{1, 38968, 77281}, {"2-pentadecenoic acid [ C15 H28 O2, db=72.07, \
overall=36.04, Lipid ID=, KEGG ID= ]", ""}}, {573.2378, 12.738915, "Meta"} -> 
    {{41314, 27150, 17752}, {"", ""}}, {874.5164, 12.745845, "Meta"} -> 
    {{1, 1, 56947}, {"Ivermectin B1a [ C48 H74 O14, db=21.59, overall=10.80, \
KEGG ID=C07970, CAS ID=71827-03-7 ]", "71827-03-7"}}, 
   {615.29, 12.742728, "Meta"} -> {{115162, 79652, 80799}, {"", ""}}, 
   {393.2191, 12.747176, "Meta"} -> {{69440, 118260, 118860}, {"", ""}}, 
   {733.5184, 12.745, "Meta"} -> {{150532, 134113, 142744}, {"", ""}}, 
   {716.4917, 12.745065, "Meta"} -> {{187086, 153981, 169529}, {"", ""}}, 
   {517.3169, 12.746193, "Meta"} -> {{6859446, 2820754, 3325133}, 
     {"Linolenoyl lysolecithin [ C26 H48 N O7 P, db=99.00, overall=49.50, \
KEGG ID=, CAS ID=63163-01-9 ]", "63163-01-9"}}, 
   {555.2641, 12.744076, "Meta"} -> {{437759, 214457, 199292}, 
     {"Leucine Enkephalin [ C28 H37 N5 O7, db=46.08, overall=23.04, KEGG ID=, \
CAS ID=81678-16-2 ]", "81678-16-2"}}, {1096.581, 12.747542, "Meta"} -> 
    {{237063, 125103, 92698}, {"", ""}}, {1058.6335, 12.748626, "Meta"} -> 
    {{646985, 114672, 91164}, {"", ""}}, {451.2698, 12.751194, "Meta"} -> 
    {{251120, 257647, 124647}, {"", ""}}, {1104.6042, 12.750401, "Meta"} -> 
    {{69822, 1, 1}, {"", ""}}, {594.238, 12.752146, "Meta"} -> 
    {{100200, 40291, 39597}, {"", ""}}, {1661.8961, 12.749751, "Meta"} -> 
    {{101804, 14552, 1}, {"", ""}}, {295.2514, 12.752306, "Meta"} -> 
    {{1.03*^7, 9731149, 1.1*^7}, {"", ""}}, {646.5257, 12.745705, "Meta"} -> 
    {{49348, 49734, 47185}, {"", ""}}, {654.2522, 12.751028, "Meta"} -> 
    {{129216, 81292, 79784}, {"", ""}}, {541.3161, 12.752888, "Meta"} -> 
    {{1.71*^7, 6729671, 6895774}, {"", ""}}, {597.2377, 12.750058, "Meta"} -> 
    {{142511, 72044, 54850}, {"", ""}}, {579.2647, 12.7531395, "Meta"} -> 
    {{737619, 520420, 438943}, 
     {" [ C32 H39 N2 O8, db=0.00, overall=32.44, mfg=64.87 ]", ""}}, 
   {710.2763, 12.752368, "Meta"} -> {{36744, 16500, 15900}, {"", ""}}, 
   {639.2909, 12.752972, "Meta"} -> {{211920, 153762, 159515}, 
     {" [ C33 H41 N3 O10, db=0.00, overall=34.40, mfg=68.80 ]", ""}}, 
   {563.2865, 12.751833, "Meta"} -> {{65356, 35945, 38619}, {"", ""}}, 
   {278.2243, 12.768029, "Meta"} -> {{237687, 264993, 275988}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=76.66, overall=38.33, Lipid \
ID=LMFA01030148, KEGG ID= ]", ""}}, {958.6044, 12.764857, "Meta"} -> 
    {{39215, 32666, 28122}, {"", ""}}, {1613.8976, 12.766002, "Meta"} -> 
    {{104701, 31137, 24957}, {"", ""}}, {358.1711, 12.782434, "Meta"} -> 
    {{56514, 63577, 60550}, {"", ""}}, {298.1468, 12.782714, "Meta"} -> 
    {{60691, 67425, 67269}, {"", ""}}, {345.1374, 12.7813015, "Meta"} -> 
    {{26907, 28675, 26034}, {"", ""}}, {200.1773, 12.781779, "Meta"} -> 
    {{139148, 178369, 154288}, {"Lauric acid [ C12 H24 O2, db=93.72, \
overall=46.86, KEGG ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, 
   {214.1929, 12.781723, "Meta"} -> {{90697, 108648, 95358}, 
     {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, db=85.75, overall=42.87, \
KEGG ID=, CAS ID= ]", ""}}, {254.224, 12.784, "Meta"} -> 
    {{138591, 172814, 155898}, {"7-palmitoleic acid [ C16 H30 O2, db=89.68, \
overall=44.84, Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, 
   {1072.5817, 12.78529, "Meta"} -> {{373277, 165993, 1}, {"", ""}}, 
   {777.5449, 12.788111, "Meta"} -> {{118231, 97460, 106681}, {"", ""}}, 
   {294.2171, 12.80724, "Meta"} -> {{1, 162262, 226026}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=65.45, overall=32.73, \
Lipid ID=, KEGG ID= ]", ""}}, {986.6337, 12.798241, "Meta"} -> 
    {{1078707, 318470, 215349}, {"", ""}}, {483.3767, 12.801028, "Meta"} -> 
    {{118308, 104239, 113355}, {"", ""}}, {466.3504, 12.800827, "Meta"} -> 
    {{189325, 174351, 37777}, {"", ""}}, {515.2983, 12.801221, "Meta"} -> 
    {{3726134, 2296377, 1899732}, {"", ""}}, {272.1993, 12.802755, "Meta"} -> 
    {{88240, 59238, 130502}, {"3-methyl-tetradecanedioic acid [ C15 H28 O4, \
db=87.86, overall=43.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {1002.6305, 12.8012295, "Meta"} -> {{34133, 29482, 1}, {"", ""}}, 
   {1024.5826, 12.804735, "Meta"} -> {{616058, 261764, 188183}, {"", ""}}, 
   {591.2919, 12.809055, "Meta"} -> {{361955, 330769, 278214}, 
     {" [ C34 H41 N O8, db=0.00, overall=41.36, mfg=82.72 ]", ""}}, 
   {606.2508, 12.808973, "Meta"} -> {{160101, 109376, 82891}, {"", ""}}, 
   {493.3159, 12.811169, "Meta"} -> {{1.97*^7, 1.14*^7, 9488482}, {"", ""}}, 
   {531.2643, 12.810324, "Meta"} -> {{949000, 667982, 1}, {"", ""}}, 
   {549.2373, 12.808871, "Meta"} -> {{130268, 1, 62402}, {"", ""}}, 
   {454.3057, 12.813647, "Meta"} -> {{29568, 1, 43246}, 
     {"26,26,26-trifluoro-25-hydroxyvitamin D3 / \
26,26,26-trifluoro-25-hydroxycholecalciferol [ C27 H41 F3 O2, db=85.90, \
overall=42.95, Lipid ID=LMST03020131, KEGG ID= ]", ""}}, 
   {414.3129, 12.812971, "Meta"} -> {{49364, 56958, 50837}, 
     {"1alpha,25-dihydroxy-9,11-didehydrovitamin D_3 / \
1alpha,25-dihydroxy-9,11-didehydrocholecalciferol [ C27 H42 O3, db=82.66, \
overall=41.33, Lipid ID=LMST03020170, KEGG ID= ]", ""}}, 
   {596.2634, 12.8228445, "Meta"} -> {{31913, 28880, 23918}, {"", ""}}, 
   {437.2892, 12.8172, "Meta"} -> {{46287, 1, 1}, {"", ""}}, 
   {682.4242, 12.824768, "Meta"} -> {{29291, 28295, 21023}, {"", ""}}, 
   {398.2432, 12.822418, "Meta"} -> {{444250, 101980, 107840}, {"", ""}}, 
   {677.4712, 12.822635, "Meta"} -> {{27040, 27811, 25233}, {"", ""}}, 
   {256.2036, 12.822162, "Meta"} -> {{107296, 88655, 1}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=61.54, overall=30.77, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {826.5262, 12.818275, "Meta"} -> 
    {{157557, 119583, 136960}, {"", ""}}, {280.2011, 12.8328, "Meta"} -> 
    {{58644, 58754, 58711}, 
     {"12S-HHTrE [ C17 H28 O3, db=40.55, overall=20.28, KEGG ID=, CAS ID= ]", 
      ""}}, {821.5706, 12.8296385, "Meta"} -> {{71429, 72776, 88353}, 
     {"", ""}}, {240.2083, 12.832307, "Meta"} -> {{1, 55525, 44494}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=72.97, overall=36.49, Lipid ID=, \
KEGG ID= ]", ""}}, {527.403, 12.835585, "Meta"} -> 
    {{223966, 195011, 215288}, {"", ""}}, {510.3765, 12.837113, "Meta"} -> 
    {{358930, 309899, 317863}, {"", ""}}, {901.4447, 12.842889, "Meta"} -> 
    {{34079, 27214, 29257}, {"", ""}}, {338.2438, 12.854486, "Meta"} -> 
    {{44605, 39811, 34556}, {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=56.30, \
overall=28.15, KEGG ID=, CAS ID= ]", ""}}, {885.4796, 12.842206, "Meta"} -> 
    {{109557, 94328, 55963}, {"", ""}}, {588.2239, 12.856218, "Meta"} -> 
    {{28407, 52495, 27658}, {"", ""}}, {414.1448, 12.856258, "Meta"} -> 
    {{22089, 27929, 26963}, {"", ""}}, {472.187, 12.863851, "Meta"} -> 
    {{19977, 20768, 1}, 
     {"Trp His Met [ C22 H28 N6 O4 S, db=36.23, overall=18.12 ]", ""}}, 
   {865.5967, 12.867527, "Meta"} -> {{66803, 54332, 57978}, {"", ""}}, 
   {870.5522, 12.86621, "Meta"} -> {{63288, 70159, 50288}, {"", ""}}, 
   {515.2333, 12.872112, "Meta"} -> {{95863, 97191, 71855}, {"", ""}}, 
   {384.1824, 12.871333, "Meta"} -> {{42223, 37570, 57502}, {"", ""}}, 
   {554.4028, 12.871445, "Meta"} -> {{103329, 410764, 408147}, {"", ""}}, 
   {500.1787, 12.860778, "Meta"} -> {{32202, 33462, 34924}, 
     {"gamma-Hydroxyphenylbutazone glucuronide [ C25 H28 N2 O9, db=78.83, \
overall=39.41, KEGG ID=, CAS ID= ]", ""}}, {444.2075, 12.872678, "Meta"} -> 
    {{29634, 36003, 49551}, {"", ""}}, {477.2857, 12.872913, "Meta"} -> 
    {{1539839, 1466226, 1254084}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=70.03, overall=35.02 ]", ""}}, 
   {560.2004, 12.861138, "Meta"} -> {{17848, 20691, 22282}, {"", ""}}, 
   {571.4295, 12.871741, "Meta"} -> {{316632, 275302, 306183}, {"", ""}}, 
   {370.1814, 12.859806, "Meta"} -> {{92574, 106207, 114282}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=96.30, \
overall=48.15, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {468.1503, 12.861229, "Meta"} -> {{16562, 16162, 17341}, {"", ""}}, 
   {352.1708, 12.858888, "Meta"} -> {{30266, 34811, 34504}, {"", ""}}, 
   {286.2145, 12.873165, "Meta"} -> {{1676085, 1878639, 3264726}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=98.68, overall=49.34, HMP \
ID=HMDB00672, KEGG ID= ]", ""}}, {198.1615, 12.874167, "Meta"} -> 
    {{595174, 607074, 1089552}, {"9-lauroleic acid [ C12 H22 O2, db=98.26, \
overall=49.13, Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, 
   {346.2464, 12.87547, "Meta"} -> {{122812, 149327, 249274}, {"", ""}}, 
   {303.2406, 12.874667, "Meta"} -> {{574513, 577446, 1003097}, {"", ""}}, 
   {110.1092, 12.874167, "Meta"} -> {{189119, 196078, 354456}, {"", ""}}, 
   {331.272, 12.874617, "Meta"} -> {{71722, 97595, 154137}, {"", ""}}, 
   {312.23, 12.861374, "Meta"} -> {{29403, 33962, 35333}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=73.37, \
overall=36.68, Lipid ID=, KEGG ID= ]", ""}}, {360.2661, 12.891426, "Meta"} -> 
    {{84724, 125933, 106052}, {"1alpha,23-dihydroxy-24,25,26,27-tetranorvitam\
in D3 / 1alpha,23-dihydroxy-24,25,26,27-tetranorcholeca [ C23 H36 O3, \
db=79.75, overall=39.88, Lipid ID=LMST03020020, KEGG ID= ]", ""}}, 
   {472.2434, 12.8901825, "Meta"} -> {{39039, 48646, 39157}, {"", ""}}, 
   {548.23, 12.8912735, "Meta"} -> {{15876, 21276, 15016}, {"", ""}}, 
   {342.2169, 12.894272, "Meta"} -> {{184688, 327176, 275527}, 
     {"Megestrol [ C22 H30 O3, db=77.08, overall=38.54, KEGG ID=C07120, CAS \
ID=3562-63-8 ]", "3562-63-8"}}, {256.2187, 12.893861, "Meta"} -> 
    {{44921, 49898, 48295}, {"", ""}}, {927.4605, 12.892209, "Meta"} -> 
    {{12293, 1, 1}, {"", ""}}, {911.496, 12.892471, "Meta"} -> 
    {{48379, 20728, 39746}, {"", ""}}, {539.2333, 12.903911, "Meta"} -> 
    {{151286, 201512, 185994}, {"", ""}}, {501.2855, 12.907584, "Meta"} -> 
    {{3721582, 4374809, 4254394}, {"Fexofenadine [ C32 H39 N O4, db=58.07, \
overall=29.03, KEGG ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {861.5497, 12.909751, "Meta"} -> {{130844, 141810, 143889}, {"", ""}}, 
   {519.3325, 12.914667, "Meta"} -> {{4.15*^7, 3.24*^7, 3.63*^7}, 
     {"1-Linoleoylphosphatidylcholine [ C26 H50 N O7 P, db=99.74, \
overall=49.87, KEGG ID=, CAS ID=5655-12-9 ]", "12/9/55"}}, 
   {1012.6501, 12.914031, "Meta"} -> {{1031820, 449171, 468975}, {"", ""}}, 
   {635.2734, 12.919773, "Meta"} -> {{40487, 33924, 32826}, {"", ""}}, 
   {1076.6128, 12.916134, "Meta"} -> {{1, 318914, 352912}, {"", ""}}, 
   {557.2806, 12.91837, "Meta"} -> {{1219167, 909209, 951848}, {"", ""}}, 
   {541.3017, 12.946648, "Meta"} -> {{81321, 102558, 163034}, {"", ""}}, 
   {688.2915, 12.91703, "Meta"} -> {{109293, 74095, 68533}, {"", ""}}, 
   {853.5446, 12.919279, "Meta"} -> {{67387, 92377, 82582}, {"", ""}}, 
   {632.2664, 12.917572, "Meta"} -> {{126700, 120195, 112960}, {"", ""}}, 
   {1091.581, 12.917712, "Meta"} -> {{116321, 74880, 82119}, {"", ""}}, 
   {183.0655, 12.927937, "Meta"} -> {{247657, 162879, 181834}, {"", ""}}, 
   {1060.6475, 12.934857, "Meta"} -> {{1, 1, 2606871}, {"", ""}}, 
   {1044.618, 12.990282, "Meta"} -> {{527287, 1, 356981}, {"", ""}}, 
   {2658.6086, 13.000936, "Meta"} -> {{235116, 547074, 628507}, {"", ""}}, 
   {239.0918, 12.93324, "Meta"} -> {{33096, 22618, 29232}, {"", ""}}, 
   {1619.9443, 12.934193, "Meta"} -> {{188812, 137869, 154662}, {"", ""}}, 
   {1000.6499, 12.928946, "Meta"} -> {{1402152, 712909, 699038}, {"", ""}}, 
   {481.3173, 12.937497, "Meta"} -> {{4355028, 3424453, 2508515}, 
     {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=99.47, overall=49.74, Lipid \
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    {{368149, 258757, 296098}, {"", ""}}, {519.2655, 12.939625, "Meta"} -> 
    {{173784, 191833, 150039}, {"", ""}}, {617.3076, 12.924249, "Meta"} -> 
    {{165720, 228573, 181994}, {"", ""}}, {1661.919, 13.038292, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {659.482, 12.942501, "Meta"} -> 
    {{398373, 349517, 381701}, {"", ""}}, {953.6495, 12.939168, "Meta"} -> 
    {{25636, 22981, 24523}, {"", ""}}, {642.4556, 12.942776, "Meta"} -> 
    {{462497, 457231, 445852}, {"", ""}}, {543.3319, 12.949862, "Meta"} -> 
    {{2.97*^7, 1.88*^7, 2.07*^7}, {"Arachidonyl lysolecithin [ C28 H50 N O7 \
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   {374.2817, 12.962293, "Meta"} -> {{10965, 13854, 14376}, 
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   {996.6189, 13.005388, "Meta"} -> {{863726, 658604, 530415}, {"", ""}}, 
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   {791.5607, 13.040998, "Meta"} -> {{204417, 209815, 213168}, 
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   {835.5869, 13.074905, "Meta"} -> {{1, 200329, 199067}, 
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    {{527259, 704260, 549625}, 
     {" [ C32 H41 N2 O8, db=0.00, overall=32.80, mfg=65.61 ]", ""}}, 
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   {1148.6106, 13.078375, "Meta"} -> {{136125, 111683, 97735}, {"", ""}}, 
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   {605.2795, 13.091028, "Meta"} -> {{177790, 171778, 141244}, {"", ""}}, 
   {413.1753, 13.097616, "Meta"} -> {{23879, 38375, 28752}, 
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   {368.1178, 13.0997505, "Meta"} -> {{165793, 249436, 135927}, {"", ""}}, 
   {428.1498, 13.105187, "Meta"} -> {{27637, 54302, 36004}, {"", ""}}, 
   {884.5686, 13.102304, "Meta"} -> {{168615, 164868, 157722}, {"", ""}}, 
   {879.6129, 13.101585, "Meta"} -> {{164293, 155264, 158877}, 
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    {{292698, 279298, 301303}, {"", ""}}, {1014.6646, 13.105733, "Meta"} -> 
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    {{3.6*^7, 3.16*^7, 2.87*^7}, {"", ""}}, {1547.9456, 13.121827, "Meta"} -> 
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    {{96555, 128743, 131065}, {"", ""}}, {369.2878, 13.135938, "Meta"} -> 
    {{27867, 1, 37506}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, \
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   {517.3146, 13.141578, "Meta"} -> {{1, 2496079, 2247713}, 
     {"Linolenoyl lysolecithin [ C26 H48 N O7 P, db=71.36, overall=35.68, \
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   {280.2016, 13.128001, "Meta"} -> {{1, 17315, 25920}, 
     {"12S-HHTrE [ C17 H28 O3, db=67.26, overall=33.63, KEGG ID=, CAS ID= ]", 
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     {"", ""}}, {593.3067, 13.134848, "Meta"} -> {{149404, 81961, 232623}, 
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   {374.2433, 13.145103, "Meta"} -> {{34214, 1, 48202}, 
     {"Digitoxigenin [ C23 H34 O4, db=51.93, overall=25.96, KEGG ID=, CAS \
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    {{44567, 87129, 68206}, {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 \
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   {967.665, 13.152544, "Meta"} -> {{98789, 107598, 109698}, {"", ""}}, 
   {859.5254, 13.156605, "Meta"} -> {{90533, 128980, 75214}, {"", ""}}, 
   {284.235, 13.1601715, "Meta"} -> {{156797, 272959, 123563}, 
     {"2-oxo-heptadecanoic acid [ C17 H32 O3, db=99.17, overall=49.59, Lipid \
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    {{63974, 69047, 41189}, {"", ""}}, {415.1816, 13.160233, "Meta"} -> 
    {{42170, 69107, 30391}, 
     {"Pro His Tyr [ C20 H25 N5 O5, db=56.87, overall=28.44 ]", ""}}, 
   {400.2138, 13.160443, "Meta"} -> {{127504, 215132, 104795}, 
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   {360.0762, 13.162133, "Meta"} -> {{18159, 23262, 1}, {"", ""}}, 
   {418.1866, 13.1605, "Meta"} -> {{36045, 54641, 30081}, 
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   {435.2755, 13.168929, "Meta"} -> {{23504, 21027, 32200}, {"", ""}}, 
   {362.278, 13.161973, "Meta"} -> {{82979, 193888, 84734}, {"", ""}}, 
   {460.2394, 13.160829, "Meta"} -> {{27925, 55455, 27172}, 
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   {658.292, 13.164111, "Meta"} -> {{37222, 39381, 31046}, {"", ""}}, 
   {210.198, 13.161266, "Meta"} -> {{30294, 52380, 22476}, 
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    {{38428, 53329, 23937}, {"GPEtn(13:0/10:0)[U] [ C28 H56 N O8 P, db=59.24, \
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   {568.4186, 13.170556, "Meta"} -> {{224452, 219176, 213183}, {"", ""}}, 
   {585.4455, 13.17, "Meta"} -> {{159580, 159803, 170451}, {"", ""}}, 
   {396.2874, 13.171314, "Meta"} -> {{16381, 41721, 20437}, 
     {"PGF2alpha isopropyl ester [ C23 H40 O5, db=85.31, overall=42.65, Lipid \
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    {{80715, 1, 113480}, {"", ""}}, {413.3138, 13.174972, "Meta"} -> 
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     {"Trp Met Arg [ C22 H33 N7 O4 S, db=87.08, overall=43.54 ]", ""}}, 
   {453.2857, 13.181751, "Meta"} -> {{2392008, 2501315, 2316214}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=99.55, overall=49.78, Lipid \
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    {{54074, 97179, 93058}, {"", ""}}, {629.4713, 13.1857195, "Meta"} -> 
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   {717.5241, 13.237333, "Meta"} -> {{321882, 332875, 345601}, 
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    {{98814, 132331, 500010}, {"", ""}}, {462.2955, 13.254001, "Meta"} -> 
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   {775.5658, 13.486027, "Meta"} -> {{600047, 573701, 586905}, {"", ""}}, 
   {439.306, 13.489087, "Meta"} -> {{399853, 248264, 597206}, {"", ""}}, 
   {758.539, 13.485962, "Meta"} -> {{1, 672542, 778568}, {"", ""}}, 
   {368.1336, 13.48364, "Meta"} -> {{21070, 39372, 1}, {"", ""}}, 
   {283.108, 13.4861145, "Meta"} -> {{79956, 46284, 30589}, {"", ""}}, 
   {648.2967, 13.495222, "Meta"} -> {{27878, 1, 35456}, {"", ""}}, 
   {819.592, 13.497973, "Meta"} -> {{705529, 584001, 608394}, {"", ""}}, 
   {802.5656, 13.49772, "Meta"} -> {{856175, 721298, 1}, 
     {"1-heptadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosph\
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ID= ]", ""}}, {479.337, 13.495556, "Meta"} -> {{8994591, 3769551, 1.3*^7}, 
     {"", ""}}, {1165.6327, 13.499093, "Meta"} -> {{200656, 172472, 149112}, 
     {"", ""}}, {1151.618, 13.505199, "Meta"} -> {{1, 100012, 133663}, 
     {"", ""}}, {988.6857, 13.50629, "Meta"} -> {{600294, 278427, 822438}, 
     {"", ""}}, {339.2883, 13.506903, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {517.285, 13.498918, "Meta"} -> {{205626, 127562, 257882}, {"", ""}}, 
   {765.5234, 13.503918, "Meta"} -> {{98202, 91295, 92950}, {"", ""}}, 
   {1399.899, 13.508409, "Meta"} -> {{40391, 36114, 38916}, {"", ""}}, 
   {1050.7004, 13.5051985, "Meta"} -> {{958069, 137317, 907980}, {"", ""}}, 
   {1026.6353, 13.507728, "Meta"} -> {{81859, 1, 96347}, {"", ""}}, 
   {1092.7122, 13.491323, "Meta"} -> {{863898, 491845, 1079799}, {"", ""}}, 
   {477.1903, 13.515063, "Meta"} -> {{1, 51551, 26294}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=52.47, overall=26.23, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {279.2562, 13.510799, "Meta"} -> 
    {{942467, 1048885, 781085}, {"", ""}}, {1123.622, 13.4977045, "Meta"} -> 
    {{58166, 40314, 1}, {"", ""}}, {598.2433, 13.509795, "Meta"} -> 
    {{1, 41074, 1}, {"", ""}}, {846.5917, 13.509481, "Meta"} -> 
    {{978608, 853655, 1}, {"", ""}}, {863.6182, 13.510503, "Meta"} -> 
    {{800917, 712296, 722362}, {"C22 Sulfatide [ C46 H89 N O11 S, db=87.95, \
overall=43.97, Lipid ID=LMSP06020009, KEGG ID= ]", ""}}, 
   {885.5996, 13.517038, "Meta"} -> {{71165, 69072, 57171}, {"", ""}}, 
   {612.2584, 13.509334, "Meta"} -> {{358256, 394093, 258732}, {"", ""}}, 
   {580.2323, 13.509277, "Meta"} -> {{534663, 599545, 396645}, {"", ""}}, 
   {547.2957, 13.523854, "Meta"} -> {{487653, 427434, 421395}, {"", ""}}, 
   {644.2847, 13.51143, "Meta"} -> {{780190, 875158, 636824}, {"", ""}}, 
   {509.3475, 13.52603, "Meta"} -> {{1.83*^7, 1.24*^7, 1.67*^7}, {"", ""}}, 
   {658.2652, 13.513304, "Meta"} -> {{49383, 49669, 39412}, {"", ""}}, 
   {607.3208, 13.524964, "Meta"} -> {{106891, 287012, 181577}, {"", ""}}, 
   {907.6449, 13.525166, "Meta"} -> {{893487, 813161, 853910}, 
     {"3-O-Sulfogalactosylceramide [ C48 H93 N O12 S, db=86.45, \
overall=43.23, HMP ID=HMDB00024, KEGG ID= ]", ""}}, 
   {890.6182, 13.524207, "Meta"} -> {{973831, 832054, 21646}, {"", ""}}, 
   {720.3006, 13.519515, "Meta"} -> {{34656, 36708, 21883}, {"", ""}}, 
   {672.2796, 13.517088, "Meta"} -> {{266877, 316421, 188357}, {"", ""}}, 
   {571.3639, 13.521864, "Meta"} -> {{6735708, 2873398, 6228180}, {"", ""}}, 
   {354.2171, 13.571854, "Meta"} -> {{55715, 31598, 58004}, 
     {"Levonorgestrel acetate [ C23 H30 O3, db=64.58, overall=32.29, KEGG \
ID=, CAS ID=13732-69-9 ]", "13732-69-9"}}, {814.5046, 13.536868, "Meta"} -> 
    {{85166, 65486, 85793}, {"", ""}}, {809.5497, 13.531092, "Meta"} -> 
    {{84799, 1, 1}, {"", ""}}, {734.3164, 13.525888, "Meta"} -> 
    {{107142, 108703, 72353}, {"", ""}}, {299.2825, 13.542036, "Meta"} -> 
    {{89120, 110036, 81257}, {"3-Dehydrosphinganine [ C18 H37 N O2, db=93.67, \
overall=46.83, KEGG ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {706.3211, 13.528087, "Meta"} -> {{56024, 56275, 43614}, {"", ""}}, 
   {1369.8884, 13.563042, "Meta"} -> {{23113, 1, 1}, {"", ""}}, 
   {934.6437, 13.537066, "Meta"} -> {{96847, 86364, 112095}, {"", ""}}, 
   {951.6706, 13.535638, "Meta"} -> {{922216, 880827, 744436}, {"", ""}}, 
   {395.3035, 13.538113, "Meta"} -> {{230802, 228231, 182037}, {"", ""}}, 
   {400.2588, 13.538917, "Meta"} -> {{680238, 657558, 473981}, 
     {"Ophiobolin A [ C25 H36 O4, db=54.29, overall=27.15, Lipid \
ID=LMPR01050002, KEGG ID=C09145 ]", ""}}, {452.2451, 13.542232, "Meta"} -> 
    {{210879, 159228, 168009}, {"Diphenoxylate [ C30 H32 N2 O2, db=83.13, \
overall=41.56, KEGG ID=C07872, CAS ID=915-30-0 ]", "915-30-0"}}, 
   {354.2765, 13.544889, "Meta"} -> {{5525005, 4855490, 4312737}, 
     {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 O4, db=86.35, \
overall=43.17, KEGG ID=, CAS ID= ]", ""}}, {491.2062, 13.533772, "Meta"} -> 
    {{53471, 65628, 45083}, 
     {"Tyr Phe Tyr [ C27 H29 N3 O6, db=57.52, overall=28.76 ]", ""}}, 
   {414.3093, 13.543919, "Meta"} -> {{506733, 445498, 452694}, {"", ""}}, 
   {371.3036, 13.545373, "Meta"} -> {{1620283, 1280232, 1270170}, {"", ""}}, 
   {1000.6522, 13.561621, "Meta"} -> {{1, 524609, 1}, {"", ""}}, 
   {995.6966, 13.547221, "Meta"} -> {{747696, 693803, 728920}, {"", ""}}, 
   {262.2296, 13.545572, "Meta"} -> {{326152, 256639, 271910}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=92.20, overall=46.10, Lipid \
ID=, KEGG ID= ]", ""}}, {396.2665, 13.645791, "Meta"} -> 
    {{47318, 85078, 47001}, {"", ""}}, {508.8397, 13.549695, "Meta"} -> 
    {{136565, 149985, 134426}, {"", ""}}, {1022.6367, 13.552206, "Meta"} -> 
    {{98171, 1, 97968}, {"", ""}}, {267.2559, 13.55222, "Meta"} -> 
    {{147707, 252742, 139447}, {"", ""}}, {853.5758, 13.555092, "Meta"} -> 
    {{70167, 45893, 49751}, {"", ""}}, {501.2539, 13.558999, "Meta"} -> 
    {{1, 20331, 35376}, {"", ""}}, {858.5316, 13.556654, "Meta"} -> 
    {{1, 50571, 39192}, {"", ""}}, {1028.648, 13.573232, "Meta"} -> 
    {{131243, 64271, 132974}, {"", ""}}, {837.5203, 13.564915, "Meta"} -> 
    {{53394, 50467, 28073}, {"", ""}}, {519.8613, 13.559681, "Meta"} -> 
    {{58586, 59818, 790455}, {"", ""}}, {1056.7491, 13.56075, "Meta"} -> 
    {{110202, 143153, 126235}, {"", ""}}, {530.8529, 13.562063, "Meta"} -> 
    {{152535, 172298, 149453}, {"", ""}}, {463.3064, 13.56053, "Meta"} -> 
    {{1378568, 354821, 1677465}, {"", ""}}, {334.1441, 13.569034, "Meta"} -> 
    {{39327, 49758, 30478}, 
     {"Arg Cys Gly [ C11 H22 N6 O4 S, db=50.72, overall=25.36 ]", ""}}, 
   {376.1987, 13.568419, "Meta"} -> {{54173, 83558, 53374}, 
     {"Glu Thr Lys [ C15 H28 N4 O7, db=67.35, overall=33.68 ]", ""}}, 
   {316.1717, 13.568858, "Meta"} -> {{61680, 43235, 29010}, 
     {"Ala Asn Leu [ C13 H24 N4 O5, db=54.09, overall=27.05 ]", ""}}, 
   {278.2244, 13.568999, "Meta"} -> {{377469, 223848, 329679}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=86.05, overall=43.02, Lipid \
ID=LMFA01030148, KEGG ID= ]", ""}}, {295.2523, 13.578938, "Meta"} -> 
    {{361306, 1, 319347}, {"", ""}}, {1088.7043, 13.572557, "Meta"} -> 
    {{587381, 356200, 422506}, {"", ""}}, {1110.6956, 13.577559, "Meta"} -> 
    {{470299, 1, 1}, {"", ""}}, {960.6902, 13.570629, "Meta"} -> 
    {{361137, 38507, 277404}, {"", ""}}, {902.5572, 13.5793, "Meta"} -> 
    {{51274, 1, 37735}, {"", ""}}, {897.6025, 13.580344, "Meta"} -> 
    {{56669, 52055, 38815}, {"", ""}}, {294.2172, 13.592863, "Meta"} -> 
    {{47428, 51443, 45566}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, \
db=68.48, overall=34.24, Lipid ID=, KEGG ID= ]", ""}}, 
   {466.3728, 13.589202, "Meta"} -> {{46515, 65817, 108938}, {"", ""}}, 
   {519.3001, 13.581778, "Meta"} -> {{314979, 207449, 418361}, {"", ""}}, 
   {594.2896, 13.585677, "Meta"} -> {{62456, 40091, 72686}, 
     {" [ C33 H42 N2 O8, db=0.00, overall=30.00, mfg=60.00 ]", ""}}, 
   {1132.7306, 13.584446, "Meta"} -> {{353136, 354860, 298041}, {"", ""}}, 
   {481.3526, 13.5835, "Meta"} -> {{1.65*^7, 8648124, 2.13*^7}, 
     {"1-O-Hexadecyl-2-lyso-glycero-3-phosphorylcholine [ C24 H52 N O6 P, \
db=95.41, overall=47.71, KEGG ID=, CAS ID=52691-62-0 ]", "52691-62-0"}}, 
   {579.3257, 13.584827, "Meta"} -> {{160557, 140517, 226776}, {"", ""}}, 
   {421.3402, 13.600849, "Meta"} -> {{268719, 474953, 206069}, {"", ""}}, 
   {364.2589, 13.5994625, "Meta"} -> {{1, 203059, 166868}, 
     {"11-deoxy-16,16-dimethyl-PGE2 [ C22 H36 O4, db=63.57, overall=31.78, \
KEGG ID=, CAS ID= ]", ""}}, {386.3031, 13.601744, "Meta"} -> 
    {{259095, 402155, 193142}, {"", ""}}, {1545.9933, 13.579229, "Meta"} -> 
    {{56934, 1, 1}, {"", ""}}, {1176.7563, 13.596857, "Meta"} -> 
    {{301942, 380146, 269692}, {"", ""}}, {404.3139, 13.602781, "Meta"} -> 
    {{1361314, 2554130, 974301}, {"", ""}}, {599.8735, 13.598457, "Meta"} -> 
    {{44764, 1, 35860}, {"", ""}}, {946.5852, 13.60276, "Meta"} -> 
    {{36376, 46477, 1}, {"", ""}}, {547.3639, 13.597056, "Meta"} -> 
    {{1.01*^7, 4266696, 8196143}, {"", ""}}, {941.6301, 13.598959, "Meta"} -> 
    {{1, 40182, 1}, {"", ""}}, {585.3108, 13.596875, "Meta"} -> 
    {{260730, 153472, 251149}, {"", ""}}, {358.2483, 13.611223, "Meta"} -> 
    {{63382, 1, 87980}, {"", ""}}, {312.2663, 13.609001, "Meta"} -> 
    {{788510, 1271360, 576465}, {"18-oxo-nonadecanoic acid [ C19 H36 O3, \
db=91.98, overall=45.99, Lipid ID=, KEGG ID= ]", ""}}, 
   {1215.8278, 13.60837, "Meta"} -> {{516026, 482385, 476357}, {"", ""}}, 
   {1220.7823, 13.607741, "Meta"} -> {{198831, 1, 1}, {"", ""}}, 
   {1232.8549, 13.610902, "Meta"} -> {{155538, 171571, 134493}, {"", ""}}, 
   {451.3062, 13.630885, "Meta"} -> {{111304, 1, 138744}, {"", ""}}, 
   {773.5247, 13.616361, "Meta"} -> {{34682, 1, 77738}, {"", ""}}, 
   {1264.8105, 13.619029, "Meta"} -> {{245367, 1, 174269}, {"", ""}}, 
   {993.6999, 13.622969, "Meta"} -> {{55096, 27231, 52135}, {"", ""}}, 
   {629.9261, 13.618459, "Meta"} -> {{1, 1, 301040}, {"", ""}}, 
   {271.2509, 13.618684, "Meta"} -> {{46204, 52912, 46783}, 
     {"2R-aminohexadecanoic acid [ C16 H33 N O2, db=94.88, overall=47.44, \
Lipid ID=, KEGG ID= ]", ""}}, {367.1602, 13.626543, "Meta"} -> 
    {{34541, 34145, 25528}, {"prasterone sulfate [ C19 H27 O5 S, db=49.48, \
overall=24.74, KEGG ID=, CAS ID=78590-17-7 ]", "78590-17-7"}}, 
   {1276.8809, 13.6216545, "Meta"} -> {{1, 167840, 154235}, {"", ""}}, 
   {254.2244, 13.625055, "Meta"} -> {{407111, 451776, 376495}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=96.21, overall=48.11, Lipid \
ID=LMFA01030055, KEGG ID= ]", ""}}, {356.2328, 13.633856, "Meta"} -> 
    {{144071, 102869, 145090}, {"Estradiol valerate [ C23 H32 O3, db=47.05, \
overall=23.52, Lipid ID=LMST02010039, KEGG ID=C12859 ]", ""}}, 
   {370.17, 13.628917, "Meta"} -> {{30367, 29924, 1}, {"", ""}}, 
   {352.1935, 13.626401, "Meta"} -> {{112340, 1, 107242}, {"", ""}}, 
   {308.235, 13.627833, "Meta"} -> {{2847212, 1872996, 4428363}, 
     {"methyl 9,10-epoxy-12,15-octadecadienoate [ C19 H32 O3, db=72.91, \
overall=36.45, Lipid ID=, KEGG ID= ]", ""}}, {236.2138, 13.625389, "Meta"} -> 
    {{64022, 65796, 59228}, {"6,11-hexadecadienal [ C16 H28 O, db=62.84, \
overall=31.42, Lipid ID=, KEGG ID= ]", ""}}, {512.3476, 13.627999, "Meta"} -> 
    {{103328, 114085, 1}, {"ZK 159222 [ C32 H48 O5, db=76.77, overall=38.39, \
Lipid ID=LMST03020621, KEGG ID= ]", ""}}, {325.2617, 13.630723, "Meta"} -> 
    {{312649, 134644, 417325}, {"50oxo-ETE-d7 [ C20 H23 D7 O3, db=54.79, \
overall=27.39, Lipid ID=LMFA03060083, KEGG ID= ]", ""}}, 
   {472.3549, 13.629856, "Meta"} -> {{52303, 44513, 29325}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehydro-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=78.46, overall=39.23, Lipid \
ID=LMST03020462, KEGG ID= ]", ""}}, {290.2243, 13.629774, "Meta"} -> 
    {{148697, 1, 193860}, {"Androsterone [ C19 H30 O2, db=84.81, \
overall=42.40, KEGG ID=C00523, CAS ID=53-41-8 ]", "53-41-8"}}, 
   {1303.8798, 13.632357, "Meta"} -> {{426874, 92037, 1}, {"", ""}}, 
   {1308.8383, 13.623311, "Meta"} -> {{23061, 1, 1}, {"", ""}}, 
   {1320.9062, 13.631161, "Meta"} -> {{123026, 130489, 108593}, {"", ""}}, 
   {484.3163, 13.628167, "Meta"} -> {{1, 129939, 1}, {"", ""}}, 
   {589.3743, 13.630784, "Meta"} -> {{267452, 128370, 243453}, {"", ""}}, 
   {1347.9061, 13.640295, "Meta"} -> {{205319, 253043, 234622}, {"", ""}}, 
   {1364.9329, 13.639176, "Meta"} -> {{109068, 1, 107141}, {"", ""}}, 
   {543.3015, 13.631483, "Meta"} -> {{40874, 17406, 37028}, {"", ""}}, 
   {268.2188, 13.641944, "Meta"} -> {{856587, 881273, 686049}, {"", ""}}, 
   {505.3532, 13.638071, "Meta"} -> {{104513, 1, 1}, {"", ""}}, 
   {1408.9576, 13.652612, "Meta"} -> {{86327, 93763, 94336}, {"", ""}}, 
   {1418.8726, 13.652807, "Meta"} -> {{93983, 48478, 85130}, {"", ""}}, 
   {380.2538, 13.661728, "Meta"} -> {{22384, 34962, 32267}, 
     {"16,16-dimethyl-PGE2 [ C22 H36 O5, db=43.84, overall=21.92, Lipid \
ID=LMFA03010065, KEGG ID= ]", ""}}, {277.2381, 13.661151, "Meta"} -> 
    {{1, 299558, 234763}, {"", ""}}, {456.3809, 13.659138, "Meta"} -> 
    {{29011, 39450, 66333}, {"", ""}}, {1452.9851, 13.655355, "Meta"} -> 
    {{73385, 108488, 1}, {"", ""}}, {1462.9037, 13.658624, "Meta"} -> 
    {{54914, 57091, 1}, {"", ""}}, {1457.9413, 13.6546545, "Meta"} -> 
    {{1, 106999, 1}, {"", ""}}, {535.364, 13.656915, "Meta"} -> 
    {{1962736, 1209073, 1555888}, {"", ""}}, {315.2885, 13.664111, "Meta"} -> 
    {{438423, 495458, 414475}, {"", ""}}, {255.2563, 13.666528, "Meta"} -> 
    {{1506439, 1552306, 1318049}, {"", ""}}, {1497.008, 13.670268, "Meta"} -> 
    {{52834, 41765, 55291}, {"", ""}}, {300.3139, 13.665778, "Meta"} -> 
    {{20791, 23394, 14586}, {"", ""}}, {750.9837, 13.667515, "Meta"} -> 
    {{43113, 1, 44108}, {"", ""}}, {1541.0359, 13.675578, "Meta"} -> 
    {{1, 41274, 56542}, {"", ""}}, {561.3118, 13.6438, "Meta"} -> 
    {{511019, 18025, 379467}, {"", ""}}, {419.3251, 13.692777, "Meta"} -> 
    {{356855, 325679, 358037}, {"", ""}}, {585.5332, 13.689299, "Meta"} -> 
    {{81190, 358126, 65634}, {"", ""}}, {728.5284, 13.694607, "Meta"} -> 
    {{282617, 241551, 275138}, {" 1-heptadecanoyl, \
2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate [ C40 H75 N O8 P, \
db=67.05, overall=33.53, KEGG ID=, CAS ID= ]", ""}}, 
   {657.5026, 13.693542, "Meta"} -> {{42384, 41588, 42634}, {"", ""}}, 
   {745.5551, 13.695362, "Meta"} -> {{200021, 201507, 211504}, 
     {"GPEtn(18:0/18:1(9Z))[U] [ C41 H80 N O8 P, db=60.81, overall=30.41, \
Lipid ID=LMGP02010026, KEGG ID= ]", ""}}, {789.5814, 13.698277, "Meta"} -> 
    {{320448, 327417, 341475}, {"", ""}}, {988.6896, 13.703807, "Meta"} -> 
    {{119078, 55378, 142040}, {"", ""}}, {481.3164, 13.701916, "Meta"} -> 
    {{7095294, 5411794, 6327794}, {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, \
db=97.05, overall=48.53, Lipid ID=LMGP02050001, KEGG ID= ]", ""}}, 
   {833.6076, 13.703074, "Meta"} -> {{459938, 425270, 462891}, {"", ""}}, 
   {742.5407, 13.7042, "Meta"} -> {{49458, 83072, 39515}, {"", ""}}, 
   {312.2665, 13.707916, "Meta"} -> {{958477, 1480503, 728620}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=99.80, overall=49.90, Lipid \
ID=, KEGG ID= ]", ""}}, {493.3533, 13.702571, "Meta"} -> 
    {{569068, 265511, 644588}, {"", ""}}, {758.5224, 13.708063, "Meta"} -> 
    {{200037, 352142, 149787}, {"", ""}}, {690.5228, 13.667901, "Meta"} -> 
    {{15092, 61739, 1}, {"1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(7Z,10Z,13\
Z,16Z-docosatetraenoyl)-sn-glycerol [ C45 H70 O5, db=79.54, overall=39.77, \
KEGG ID=, CAS ID= ]", ""}}, {722.5491, 13.705866, "Meta"} -> 
    {{25480, 42011, 23399}, {"", ""}}, {330.2764, 13.70722, "Meta"} -> 
    {{2.98*^7, 4.74*^7, 1.53*^7}, {"1-hexadecanoyl-sn-glycerol [ C19 H38 O4, \
db=96.78, overall=48.39, KEGG ID=, CAS ID= ]", ""}}, 
   {1359.0566, 13.708065, "Meta"} -> {{305921, 675533, 180770}, {"", ""}}, 
   {698.5018, 13.707211, "Meta"} -> {{99168, 137685, 73244}, {"", ""}}, 
   {347.3029, 13.707416, "Meta"} -> {{3221006, 4976733, 2700830}, {"", ""}}, 
   {1179.8202, 13.7051325, "Meta"} -> {{292195, 419535, 223857}, {"", ""}}, 
   {708.5384, 13.711206, "Meta"} -> {{75828, 125376, 70059}, {"", ""}}, 
   {446.2179, 13.704512, "Meta"} -> {{1, 196400, 110055}, 
     {"Trp Glu Leu [ C22 H30 N4 O6, db=57.78, overall=28.89 ]", ""}}, 
   {428.2451, 13.707165, "Meta"} -> {{564223, 783288, 465835}, {"", ""}}, 
   {238.2293, 13.707944, "Meta"} -> {{257806, 404740, 214881}, 
     {"cis-11-Hexadecenal [ C16 H30 O, db=98.92, overall=49.46, KEGG ID=, CAS \
ID=53939-28-9 ]", "53939-28-9"}}, {443.2139, 13.701389, "Meta"} -> 
    {{53075, 274089, 114271}, {"", ""}}, {877.6339, 13.707833, "Meta"} -> 
    {{624341, 568229, 619833}, {"", ""}}, {390.3095, 13.707778, "Meta"} -> 
    {{993408, 1656193, 828284}, {"", ""}}, {361.3191, 13.7076845, "Meta"} -> 
    {{91156, 115771, 66461}, {"", ""}}, {488.2747, 13.70686, "Meta"} -> 
    {{115110, 204863, 91182}, {"Hydrocortisone butyrate propionate [ C28 H40 \
O7, db=78.29, overall=39.14, Lipid ID=LMST02030128, KEGG ID=C13358 ]", ""}}, 
   {636.4941, 13.70936, "Meta"} -> {{152183, 83744, 155801}, {"", ""}}, 
   {1205.8732, 13.708405, "Meta"} -> {{134679, 1, 148395}, {"", ""}}, 
   {327.2883, 13.575701, "Meta"} -> {{1, 148918, 1}, {"", ""}}, 
   {875.5992, 13.708193, "Meta"} -> {{1, 112820, 128261}, {"", ""}}, 
   {920.6385, 13.710331, "Meta"} -> {{1, 73505, 71370}, {"", ""}}, 
   {499.2362, 13.707289, "Meta"} -> {{64211, 103647, 47991}, {"", ""}}, 
   {660.4944, 13.711299, "Meta"} -> {{114876, 52364, 129359}, {"", ""}}, 
   {899.616, 13.707419, "Meta"} -> {{1, 31848, 52584}, {"", ""}}, 
   {904.6328, 13.710101, "Meta"} -> {{948674, 916944, 833233}, {"", ""}}, 
   {860.6077, 13.708208, "Meta"} -> {{852107, 748926, 718548}, {"", ""}}, 
   {497.3691, 13.71389, "Meta"} -> {{33759, 1, 1}, {"", ""}}, 
   {921.6601, 13.713472, "Meta"} -> {{775704, 646542, 699573}, {"", ""}}, 
   {507.3686, 13.708972, "Meta"} -> {{5679911, 3158160, 8562213}, {"", ""}}, 
   {938.6867, 13.711778, "Meta"} -> {{30797, 39962, 41147}, {"", ""}}, 
   {284.2349, 13.715, "Meta"} -> {{178876, 75655, 257438}, 
     {"2-oxo-heptadecanoic acid [ C17 H32 O3, db=75.45, overall=37.73, Lipid \
ID=, KEGG ID= ]", ""}}, {1026.7396, 13.723305, "Meta"} -> 
    {{62796, 63132, 80013}, {"", ""}}, {335.3185, 13.717598, "Meta"} -> 
    {{91079, 44586, 48589}, {"", ""}}, {965.6862, 13.719054, "Meta"} -> 
    {{743729, 735767, 742735}, {"", ""}}, {982.7166, 13.718828, "Meta"} -> 
    {{52116, 40758, 45531}, {"Thermozeaxanthin-17/ Zeaxanthin glucoside ester \
[ C63 H98 O8, db=32.76, overall=16.38, Lipid ID=LMPR01070109, KEGG ID= ]", 
      ""}}, {482.8427, 13.7168665, "Meta"} -> {{26799, 1, 1}, {"", ""}}, 
   {992.6864, 13.722834, "Meta"} -> {{84318, 636205, 678972}, {"", ""}}, 
   {504.8561, 13.722639, "Meta"} -> {{34970, 36431, 38289}, {"", ""}}, 
   {1031.695, 13.723343, "Meta"} -> {{131934, 122454, 154618}, {"", ""}}, 
   {1009.7122, 13.727061, "Meta"} -> {{933095, 854806, 813294}, {"", ""}}, 
   {1058.6993, 13.73592, "Meta"} -> {{777675, 1, 712712}, {"", ""}}, 
   {1053.7383, 13.736089, "Meta"} -> {{915806, 670342, 1155881}, {"", ""}}, 
   {338.2818, 13.758765, "Meta"} -> {{468574, 39142, 36748}, {"", ""}}, 
   {1119.7476, 13.730624, "Meta"} -> {{1, 1, 171175}, {"", ""}}, 
   {1114.7919, 13.734138, "Meta"} -> {{84655, 96042, 97896}, {"", ""}}, 
   {1102.7205, 13.739172, "Meta"} -> {{557134, 556355, 524971}, {"", ""}}, 
   {1141.7909, 13.747208, "Meta"} -> {{457866, 710231, 537789}, {"", ""}}, 
   {1158.8184, 13.738751, "Meta"} -> {{92215, 143427, 125143}, {"", ""}}, 
   {1146.747, 13.749473, "Meta"} -> {{622094, 439748, 456813}, {"", ""}}, 
   {1202.8444, 13.744382, "Meta"} -> {{1, 1, 108615}, 
     {"Ganglioside GA2 (d18:1/26:1(17Z)) [ C64 H118 N2 O18, db=68.60, \
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   {1185.8173, 13.754801, "Meta"} -> {{629732, 600904, 589910}, {"", ""}}, 
   {1190.7725, 13.755764, "Meta"} -> {{482301, 406198, 49009}, {"", ""}}, 
   {1011.7083, 13.866961, "Meta"} -> {{142968, 68433, 259973}, {"", ""}}, 
   {1234.7983, 13.766872, "Meta"} -> {{424501, 377604, 365987}, {"", ""}}, 
   {639.3065, 13.762452, "Meta"} -> {{191969, 164841, 1}, 
     {"Protorifamycin I [ C35 H45 N O10, db=55.35, overall=27.68, Lipid \
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    {{516390, 253341, 476186}, {"", ""}}, {636.3007, 13.76603, "Meta"} -> 
    {{315641, 294550, 200310}, {"", ""}}, {1246.8712, 13.768721, "Meta"} -> 
    {{112370, 1, 1}, {"", ""}}, {692.323, 13.76518, "Meta"} -> 
    {{90028, 85175, 1}, {"", ""}}, {579.284, 13.767687, "Meta"} -> 
    {{224326, 186646, 206532}, 
     {" [ C33 H41 N O8, db=0.00, overall=31.75, mfg=63.50 ]", ""}}, 
   {621.3346, 13.749526, "Meta"} -> {{177467, 67264, 85931}, {"", ""}}, 
   {1273.8698, 13.773914, "Meta"} -> {{261054, 1, 416241}, {"", ""}}, 
   {1030.7332, 13.746588, "Meta"} -> {{1, 665201, 2655105}, {"", ""}}, 
   {576.2868, 13.770852, "Meta"} -> {{110923, 87504, 110208}, {"", ""}}, 
   {1068.696, 13.763723, "Meta"} -> {{278556, 1, 507829}, {"", ""}}, 
   {1278.8254, 13.776278, "Meta"} -> {{277477, 331911, 316687}, {"", ""}}, 
   {561.3117, 13.775912, "Meta"} -> {{2001485, 1905183, 1838791}, {"", ""}}, 
   {1339.8785, 13.780607, "Meta"} -> {{1, 1, 148029}, {"", ""}}, 
   {567.3707, 13.7708, "Meta"} -> {{26837, 41613, 15807}, {"", ""}}, 
   {1322.8525, 13.784331, "Meta"} -> {{168648, 193250, 189006}, {"", ""}}, 
   {1334.9222, 13.792586, "Meta"} -> {{99441, 115005, 108673}, {"", ""}}, 
   {889.551, 13.800771, "Meta"} -> {{45690, 59092, 35215}, {"", ""}}, 
   {1099.6451, 13.763071, "Meta"} -> {{18850, 614246, 541295}, {"", ""}}, 
   {523.3653, 13.780612, "Meta"} -> {{1.35*^8, 9.61*^7, 1.1*^8}, 
     {"1-hexadecyl-2-acetyl-glycero-3-phosphocholine [ C26 H54 N O7 P, \
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   {865.5515, 13.794698, "Meta"} -> {{130131, 171705, 166592}, {"", ""}}, 
   {1058.2133, 13.77028, "Meta"} -> {{231459, 216979, 194416}, {"", ""}}, 
   {1608.04, 13.77903, "Meta"} -> {{1730200, 1572599, 1767649}, {"", ""}}, 
   {2637.7942, 13.772834, "Meta"} -> {{392112, 350106, 413168}, {"", ""}}, 
   {1046.7288, 13.771727, "Meta"} -> {{6.39*^7, 4.06*^7, 5.3*^7}, {"", ""}}, 
   {171.108, 13.797971, "Meta"} -> {{167266, 123639, 267573}, {"", ""}}, 
   {1366.8785, 13.790698, "Meta"} -> {{178708, 132990, 146586}, {"", ""}}, 
   {398.1857, 13.79976, "Meta"} -> {{98319, 72634, 134452}, {"", ""}}, 
   {2131.4026, 13.776884, "Meta"} -> {{1832622, 1714718, 1664906}, {"", ""}}, 
   {321.2667, 13.802221, "Meta"} -> {{83545, 94874, 100008}, 
     {"Anandamide (18:3, n-6) [ C20 H35 N O2, db=98.53, overall=49.26, Lipid \
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    {{1, 85781, 1}, {"", ""}}, {1410.9069, 13.799668, "Meta"} -> 
    {{1, 175971, 1}, {"", ""}}, {326.2219, 13.802333, "Meta"} -> 
    {{115112, 123243, 119148}, {"3a-OH Desogestrel [ C22 H30 O2, db=65.76, \
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   {495.3673, 13.825147, "Meta"} -> {{354346, 268333, 438195}, {"", ""}}, 
   {1405.9486, 13.799881, "Meta"} -> {{138103, 235016, 114222}, {"", ""}}, 
   {345.2666, 13.810092, "Meta"} -> {{92685, 82959, 107041}, 
     {"Anandamide (20:5, n-3) [ C22 H35 N O2, db=85.48, overall=42.74, Lipid \
ID=LMFA08040008, KEGG ID= ]", ""}}, {328.2401, 13.805646, "Meta"} -> 
    {{1, 148216, 142544}, {"3,9,15-Docosatriynoic acid [ C22 H32 O2, \
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   {1422.9753, 13.803818, "Meta"} -> {{69437, 97702, 114420}, {"", ""}}, 
   {1330.8604, 13.71827, "Meta"} -> {{90934, 91729, 1}, {"", ""}}, 
   {1454.929, 13.805271, "Meta"} -> {{101230, 81941, 131902}, {"", ""}}, 
   {536.5281, 13.803085, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {587.4892, 13.8079605, "Meta"} -> {{1, 1, 10305}, {"", ""}}, 
   {1449.9736, 13.80397, "Meta"} -> {{1, 192122, 86988}, {"", ""}}, 
   {341.3044, 13.817472, "Meta"} -> {{1381666, 1808943, 1584185}, {"", ""}}, 
   {354.3241, 13.811501, "Meta"} -> {{1, 18052, 1}, {"", ""}}, 
   {281.2712, 13.812444, "Meta"} -> {{1.04*^7, 9871234, 9818127}, 
     {"Oleamide [ C18 H35 N O, db=95.12, overall=47.56, KEGG ID=, CAS \
ID=301-02-0 ]", "301-02-0"}}, {1467.0009, 13.8062, "Meta"} -> 
    {{1, 1, 90013}, {"", ""}}, {312.3138, 13.81286, "Meta"} -> 
    {{21439, 38855, 21809}, {"", ""}}, {841.5513, 13.813585, "Meta"} -> 
    {{448483, 469163, 443471}, {"", ""}}, {401.3155, 13.8185835, "Meta"} -> 
    {{1, 70872, 1}, {"", ""}}, {326.3296, 13.8149185, "Meta"} -> 
    {{135316, 218510, 167566}, {"", ""}}, {856.5198, 13.818584, "Meta"} -> 
    {{113876, 136127, 99461}, {"", ""}}, {1511.0262, 13.81507, "Meta"} -> 
    {{75453, 80738, 75637}, {"", ""}}, {376.2038, 13.804546, "Meta"} -> 
    {{173782, 11296, 219894}, {"fluorometholone [ C22 H29 F O4, db=59.20, \
overall=29.60, KEGG ID=, CAS ID=426-13-1 ]", "426-13-1"}}, 
   {887.643, 13.824824, "Meta"} -> {{286059, 206131, 251074}, {"", ""}}, 
   {262.2296, 13.822443, "Meta"} -> {{72647, 77733, 76346}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=86.48, overall=43.24, Lipid \
ID=, KEGG ID= ]", ""}}, {1555.054, 13.823677, "Meta"} -> 
    {{1, 1, 71360}, {"", ""}}, {1599.0771, 13.82784, "Meta"} -> 
    {{44966, 54058, 61467}, {"", ""}}, {393.1754, 13.824646, "Meta"} -> 
    {{50667, 58107, 39255}, 
     {"Thr His His [ C16 H23 N7 O5, db=62.69, overall=31.35 ]", ""}}, 
   {280.2402, 13.821678, "Meta"} -> {{588838, 949928, 580980}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.73, overall=42.36, \
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    {{26360, 35827, 1}, {"", ""}}, {318.1871, 13.828527, "Meta"} -> 
    {{47776, 49572, 41368}, {"", ""}}, {336.1598, 13.82475, "Meta"} -> 
    {{121415, 125132, 94881}, {"", ""}}, {742.5544, 13.829965, "Meta"} -> 
    {{71761, 114321, 61723}, {"", ""}}, {264.2449, 13.830167, "Meta"} -> 
    {{181622, 121063, 166788}, {"9,12-octadecadienal [ C18 H32 O, db=93.91, \
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    {{18011, 1, 46462}, {"", ""}}, {637.5649, 13.826834, "Meta"} -> 
    {{263636, 213504, 205449}, {"", ""}}, {1604.0345, 13.831274, "Meta"} -> 
    {{67644, 84431, 63421}, {"", ""}}, {917.6042, 13.830849, "Meta"} -> 
    {{360079, 244242, 306027}, {"", ""}}, {454.2603, 13.837749, "Meta"} -> 
    {{211293, 153268, 172306}, {"18-acetoxy-PGF2alpha-11-acetate [ C24 H38 \
O8, db=67.62, overall=33.81, Lipid ID=LMFA03010098, KEGG ID= ]", ""}}, 
   {1643.1019, 13.833906, "Meta"} -> {{1, 41790, 38427}, {"", ""}}, 
   {356.2921, 13.832834, "Meta"} -> {{7371172, 4633147, 6158308}, 
     {"1-(11E-octadecenoyl)-rac-glycerol [ C21 H40 O4, db=98.15, \
overall=49.07, KEGG ID=, CAS ID= ]", ""}}, {416.3249, 13.833222, "Meta"} -> 
    {{371447, 360562, 439974}, {"", ""}}, {296.2716, 13.837235, "Meta"} -> 
    {{917489, 924271, 1309652}, {"10-methylene-octadecanoic acid [ C19 H36 \
O2, db=78.33, overall=39.16, Lipid ID=, KEGG ID= ]", ""}}, 
   {595.554, 13.834362, "Meta"} -> {{113181, 130165, 167492}, {"", ""}}, 
   {331.3083, 13.839138, "Meta"} -> {{30667, 1, 46037}, {"", ""}}, 
   {1648.0614, 13.838582, "Meta"} -> {{56433, 67127, 60361}, {"", ""}}, 
   {314.2819, 13.838939, "Meta"} -> {{510162, 566271, 789738}, 
     {"2-hydroxy-nonadecanoic acid [ C19 H38 O3, db=79.99, overall=40.00, \
Lipid ID=, KEGG ID= ]", ""}}, {359.3394, 13.840835, "Meta"} -> 
    {{37723, 25042, 58657}, {"", ""}}, {550.5438, 13.840639, "Meta"} -> 
    {{26124, 48621, 38477}, {"", ""}}, {345.3232, 13.839605, "Meta"} -> 
    {{8949, 1, 14527}, {"", ""}}, {351.3135, 13.836865, "Meta"} -> 
    {{39217, 19418, 19140}, {"Anandamide (20:2, n-6) [ C22 H41 N O2, \
db=87.77, overall=43.88, Lipid ID=LMFA08040002, KEGG ID= ]", ""}}, 
   {589.5048, 13.843435, "Meta"} -> {{73957, 78177, 70388}, {"", ""}}, 
   {593.5384, 13.859751, "Meta"} -> {{31993, 22243, 36548}, {"", ""}}, 
   {486.3916, 13.846743, "Meta"} -> {{36306, 57722, 41967}, {"", ""}}, 
   {269.2717, 13.850058, "Meta"} -> {{256458, 252499, 165921}, {"", ""}}, 
   {958.5066, 13.858265, "Meta"} -> {{178777, 139353, 142552}, {"", ""}}, 
   {312.2662, 13.867914, "Meta"} -> {{635748, 417303, 975605}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=84.87, overall=42.44, Lipid \
ID=, KEGG ID= ]", ""}}, {376.1632, 13.867001, "Meta"} -> 
    {{121772, 177351, 125161}, {"", ""}}, {875.5037, 13.871608, "Meta"} -> 
    {{187584, 1, 148959}, {"", ""}}, {807.4806, 13.867861, "Meta"} -> 
    {{2136434, 1618645, 1508093}, {"", ""}}, {268.2402, 13.870259, "Meta"} -> 
    {{48298, 57798, 51136}, {"9-heptadecylenic acid [ C17 H32 O2, db=81.99, \
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   {360.1681, 13.864379, "Meta"} -> {{47019, 67611, 70906}, 
     {"Leu Asn Asp [ C14 H24 N4 O7, db=34.15, overall=17.08 ]", ""}}, 
   {914.4793, 13.871298, "Meta"} -> {{1, 32870, 43239}, {"", ""}}, 
   {418.1739, 13.870945, "Meta"} -> {{81997, 98944, 47315}, 
     {"Nimodipine [ C21 H26 N2 O7, db=61.54, overall=30.77, KEGG ID=C07267, \
CAS ID=66085-59-4 ]", "66085-59-4"}}, {662.2484, 13.876678, "Meta"} -> 
    {{47251, 77788, 63259}, {"", ""}}, {1103.5966, 13.872333, "Meta"} -> 
    {{1, 1843243, 1751305}, {"", ""}}, {346.1531, 13.871804, "Meta"} -> 
    {{639823, 647329, 498641}, {"", ""}}, {390.1788, 13.869486, "Meta"} -> 
    {{357523, 415205, 325921}, 
     {"Asp Lys Glu [ C15 H26 N4 O8, db=62.57, overall=31.29 ]", ""}}, 
   {1153.6309, 13.874, "Meta"} -> {{412694, 1, 325860}, {"", ""}}, 
   {328.1421, 13.873054, "Meta"} -> {{255622, 292737, 217808}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=67.54, overall=33.77 ]", ""}}, 
   {357.3227, 13.877501, "Meta"} -> {{1, 27909, 77963}, {"", ""}}, 
   {294.0996, 13.875195, "Meta"} -> {{116281, 127911, 100826}, {"", ""}}, 
   {1135.623, 13.873161, "Meta"} -> {{278450, 225965, 209568}, {"", ""}}, 
   {239.1157, 13.8723, "Meta"} -> {{22979, 29073, 20155}, {"", ""}}, 
   {1189.6305, 13.875001, "Meta"} -> {{465145, 1, 382516}, {"", ""}}, 
   {420.1898, 13.874806, "Meta"} -> {{19727, 20315, 18524}, 
     {"Gln His His [ C17 H24 N8 O5, db=42.13, overall=21.06 ]", ""}}, 
   {670.265, 13.873167, "Meta"} -> {{44469, 45535, 34008}, {"", ""}}, 
   {580.2324, 13.874638, "Meta"} -> {{5090871, 4507266, 3609327}, {"", ""}}, 
   {640.2526, 13.874076, "Meta"} -> {{1, 1, 102424}, {"", ""}}, 
   {612.2593, 13.875, "Meta"} -> {{3838057, 4453675, 3023864}, {"", ""}}, 
   {644.284, 13.875222, "Meta"} -> {{8571481, 8932651, 6304231}, {"", ""}}, 
   {1180.491, 13.877401, "Meta"} -> {{1, 60337, 29822}, {"", ""}}, 
   {1254.532, 13.877502, "Meta"} -> {{15956, 98965, 1}, {"", ""}}, 
   {864.3481, 13.876028, "Meta"} -> {{135988, 157036, 109930}, {"", ""}}, 
   {282.1003, 13.8762245, "Meta"} -> {{568845, 617046, 440797}, {"", ""}}, 
   {706.3213, 13.875223, "Meta"} -> {{528452, 515132, 397118}, {"", ""}}, 
   {1242.5096, 13.876581, "Meta"} -> {{43045, 48142, 28781}, {"", ""}}, 
   {582.2468, 13.8751, "Meta"} -> {{5850393, 5759369, 5018134}, 
     {"Biliverdin IX [ C33 H34 N4 O6, db=45.81, overall=22.91, HMP \
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   {896.3746, 13.876728, "Meta"} -> {{36646, 205763, 120780}, {"", ""}}, 
   {720.3007, 13.875195, "Meta"} -> {{337630, 327865, 220180}, {"", ""}}, 
   {908.3734, 13.876348, "Meta"} -> {{87611, 93199, 1}, {"", ""}}, 
   {636.1519, 13.87985, "Meta"} -> {{62409, 61971, 49349}, {"", ""}}, 
   {943.4197, 13.876037, "Meta"} -> {{113428, 1, 79471}, {"", ""}}, 
   {1192.4886, 13.875974, "Meta"} -> {{180813, 827450, 558600}, {"", ""}}, 
   {1226.5306, 13.877594, "Meta"} -> {{247960, 1, 138626}, {"", ""}}, 
   {314.1267, 13.875557, "Meta"} -> {{716686, 752020, 569881}, {"", ""}}, 
   {748.2959, 13.87564, "Meta"} -> {{127450, 118376, 81815}, {"", ""}}, 
   {734.3167, 13.875916, "Meta"} -> {{974074, 924138, 682365}, {"", ""}}, 
   {970.4116, 13.876899, "Meta"} -> {{100882, 107629, 1}, {"", ""}}, 
   {867.3674, 13.8762865, "Meta"} -> {{268446, 280736, 156552}, {"", ""}}, 
   {926.3857, 13.876266, "Meta"} -> {{136823, 175214, 95765}, {"", ""}}, 
   {583.2517, 13.87564, "Meta"} -> {{3698933, 3508001, 1996659}, {"", ""}}, 
   {956.396, 13.876835, "Meta"} -> {{87888, 107387, 28643}, {"", ""}}, 
   {676.308, 13.876473, "Meta"} -> {{123002, 108566, 119458}, {"", ""}}, 
   {929.4038, 13.876501, "Meta"} -> {{108274, 128801, 68995}, {"", ""}}, 
   {672.2801, 13.875572, "Meta"} -> {{2101705, 2117219, 1602331}, {"", ""}}, 
   {493.2209, 13.875945, "Meta"} -> {{282675, 294410, 229282}, {"", ""}}, 
   {658.2643, 13.874903, "Meta"} -> {{370062, 392291, 292313}, {"", ""}}, 
   {1151.4832, 13.877482, "Meta"} -> {{38853, 49510, 1}, {"", ""}}, 
   {961.4299, 13.877784, "Meta"} -> {{31010, 31909, 1}, {"", ""}}, 
   {912.4054, 13.877669, "Meta"} -> {{401522, 406883, 1}, {"", ""}}, 
   {762.3116, 13.876194, "Meta"} -> {{421881, 398151, 271123}, {"", ""}}, 
   {975.4451, 13.8780365, "Meta"} -> {{56444, 60303, 34989}, {"", ""}}, 
   {509.216, 13.87594, "Meta"} -> {{58444, 59339, 49817}, {"", ""}}, 
   {491.2056, 13.876723, "Meta"} -> {{299507, 323036, 271089}, 
     {"Tyr Phe Tyr [ C27 H29 N3 O6, db=65.06, overall=32.53 ]", ""}}, 
   {881.3826, 13.877259, "Meta"} -> {{46905, 49551, 24994}, {"", ""}}, 
   {1193.664, 13.879387, "Meta"} -> {{374083, 293830, 318756}, {"", ""}}, 
   {582.7497, 13.876502, "Meta"} -> {{543051, 507109, 136035}, {"", ""}}, 
   {495.208, 13.876967, "Meta"} -> {{52980, 45096, 1}, 
     {"Trp Tyr Gln [ C25 H29 N5 O6, db=56.92, overall=28.46 ]", ""}}, 
   {616.2538, 13.877678, "Meta"} -> {{111343, 119303, 89079}, {"", ""}}, 
   {479.205, 13.876445, "Meta"} -> {{69261, 74787, 72871}, 
     {"Nicardipine [ C26 H29 N3 O6, db=70.81, overall=35.41, KEGG ID=C07264, \
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    {{17992, 20661, 12116}, {"", ""}}, {567.2211, 13.876649, "Meta"} -> 
    {{172140, 173569, 125704}, {"", ""}}, {644.7861, 13.877095, "Meta"} -> 
    {{67560, 22727, 18480}, {"", ""}}, {461.195, 13.876152, "Meta"} -> 
    {{32062, 30075, 21568}, 
     {"Gln Trp Glu [ C21 H27 N5 O7, db=34.78, overall=17.39 ]", ""}}, 
   {298.1317, 13.878472, "Meta"} -> {{652780, 666877, 451211}, {"", ""}}, 
   {352.1394, 13.880392, "Meta"} -> {{37294, 38341, 25914}, 
     {"Asn Tyr Gly [ C15 H20 N4 O6, db=68.82, overall=34.41 ]", ""}}, 
   {284.1158, 13.879252, "Meta"} -> {{318955, 359102, 240643}, {"", ""}}, 
   {477.1898, 13.879307, "Meta"} -> {{235035, 259111, 149928}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=74.18, overall=37.09, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {833.4963, 13.885234, "Meta"} -> 
    {{261665, 149661, 212259}, {"", ""}}, {1045.5562, 13.8920965, "Meta"} -> 
    {{83283, 22997, 31844}, {"", ""}}, {1095.5912, 13.892453, "Meta"} -> 
    {{43674, 1, 41518}, {"", ""}}, {1048.5735, 13.892926, "Meta"} -> 
    {{61881, 33851, 1}, {"", ""}}, {779.4516, 13.885543, "Meta"} -> 
    {{132644, 100803, 44205}, {"", ""}}, {918.6492, 13.8966, "Meta"} -> 
    {{69897, 460024, 61254}, {"", ""}}, {935.6756, 13.895752, "Meta"} -> 
    {{495430, 422104, 492130}, {"", ""}}, {891.6496, 13.895306, "Meta"} -> 
    {{363608, 328371, 368465}, {"C24 Sulfatide [ C48 H93 N O11 S, db=88.42, \
overall=44.21, Lipid ID=LMSP06020013, KEGG ID= ]", ""}}, 
   {749.4387, 13.89454, "Meta"} -> {{1, 1, 45871}, {"", ""}}, 
   {830.5967, 13.895909, "Meta"} -> {{269743, 227428, 249127}, {"", ""}}, 
   {847.6232, 13.896607, "Meta"} -> {{258221, 213363, 209253}, {"", ""}}, 
   {979.702, 13.896585, "Meta"} -> {{600017, 541462, 600541}, {"", ""}}, 
   {1050.7274, 13.9000435, "Meta"} -> {{73571, 1, 62197}, {"", ""}}, 
   {1028.6847, 13.898851, "Meta"} -> {{596881, 615103, 586812}, {"", ""}}, 
   {984.6579, 13.897518, "Meta"} -> {{671822, 546723, 584328}, {"", ""}}, 
   {1023.7278, 13.898656, "Meta"} -> {{735538, 567493, 638226}, {"", ""}}, 
   {962.6753, 13.896331, "Meta"} -> {{95102, 69361, 94395}, {"", ""}}, 
   {803.597, 13.898972, "Meta"} -> {{133022, 110744, 120407}, {"", ""}}, 
   {1006.7014, 13.900152, "Meta"} -> {{77729, 43474, 57956}, {"", ""}}, 
   {1067.7542, 13.901264, "Meta"} -> {{695925, 578513, 633969}, {"", ""}}, 
   {1094.7538, 13.901059, "Meta"} -> {{62747, 587562, 630659}, {"", ""}}, 
   {465.3222, 13.902696, "Meta"} -> {{2589830, 1128736, 3750932}, {"", ""}}, 
   {1138.7803, 13.90453, "Meta"} -> {{61430, 44933, 50527}, {"", ""}}, 
   {478.8288, 13.901231, "Meta"} -> {{40882, 38934, 39819}, {"", ""}}, 
   {996.7292, 13.904589, "Meta"} -> {{69688, 65057, 79146}, 
     {"TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,\
13Z,16Z,19Z))[iso3] [ C67 H96 O6, db=48.00, overall=24.00, Lipid \
ID=LMGL03012576, KEGG ID= ]", ""}}, {1160.7618, 13.905588, "Meta"} -> 
    {{105333, 590167, 583921}, {"", ""}}, {503.2691, 13.903366, "Meta"} -> 
    {{76841, 1, 96041}, {"", ""}}, {522.8552, 13.904035, "Meta"} -> 
    {{147115, 137976, 134551}, {"", ""}}, {1001.6842, 13.904192, "Meta"} -> 
    {{114577, 126247, 137807}, {"", ""}}, {511.8639, 13.905617, "Meta"} -> 
    {{1, 39204, 42790}, {"", ""}}, {544.8687, 13.907429, "Meta"} -> 
    {{201944, 192163, 204753}, {"", ""}}, {489.8508, 13.903928, "Meta"} -> 
    {{23338, 23710, 24606}, {"", ""}}, {1050.6691, 13.904042, "Meta"} -> 
    {{227517, 119777, 111035}, {"", ""}}, {1040.753, 13.906883, "Meta"} -> 
    {{99722, 107936, 115545}, {"", ""}}, {549.3798, 13.901501, "Meta"} -> 
    {{2717152, 1627411, 3400522}, {"", ""}}, {555.8901, 13.907157, "Meta"} -> 
    {{84284, 1162175, 1286805}, {"", ""}}, {1248.8145, 13.916356, "Meta"} -> 
    {{1, 393591, 1}, {"", ""}}, {591.8776, 13.913758, "Meta"} -> 
    {{1, 86547, 76666}, {"", ""}}, {591.3753, 13.914109, "Meta"} -> 
    {{1, 161264, 150723}, {"", ""}}, {1172.8337, 13.914706, "Meta"} -> 
    {{263372, 193130, 319860}, {"", ""}}, {643.9424, 13.918862, "Meta"} -> 
    {{667330, 1, 599786}, {"", ""}}, {1243.8593, 13.917862, "Meta"} -> 
    {{1137181, 1058851, 1109598}, {"", ""}}, 
   {1216.8606, 13.917243, "Meta"} -> {{320756, 323275, 368476}, {"", ""}}, 
   {1292.8436, 13.918814, "Meta"} -> {{684230, 1, 588421}, {"", ""}}, 
   {482.3011, 13.906962, "Meta"} -> {{146808, 159448, 1}, {"", ""}}, 
   {1260.8875, 13.921888, "Meta"} -> {{431726, 429738, 456049}, {"", ""}}, 
   {1336.8698, 13.9245, "Meta"} -> {{595906, 173916, 1}, 
     {"Ganglioside GA1 (d18:1/24:1(15Z)) [ C68 H124 N2 O23, db=60.87, \
overall=30.44, HMP ID=HMDB04906, KEGG ID= ]", ""}}, 
   {1304.9122, 13.925807, "Meta"} -> {{381461, 366321, 440328}, {"", ""}}, 
   {1309.8685, 13.923631, "Meta"} -> {{627627, 1, 620181}, {"", ""}}, 
   {1331.9117, 13.925688, "Meta"} -> {{972737, 1, 923073}, {"", ""}}, 
   {1066.7665, 13.906301, "Meta"} -> {{221069, 171595, 387756}, {"", ""}}, 
   {1348.9387, 13.928513, "Meta"} -> {{386269, 422238, 417630}, {"", ""}}, 
   {1380.8955, 13.928842, "Meta"} -> {{522935, 423619, 438189}, {"", ""}}, 
   {442.2608, 13.933564, "Meta"} -> {{114138, 188219, 83142}, {"", ""}}, 
   {1375.9377, 13.930394, "Meta"} -> {{847174, 736340, 809330}, {"", ""}}, 
   {1392.9644, 13.933, "Meta"} -> {{345855, 332495, 384967}, {"", ""}}, 
   {1424.9208, 13.932688, "Meta"} -> {{1, 85520, 311901}, {"", ""}}, 
   {1419.9648, 13.935295, "Meta"} -> {{1, 654643, 694860}, {"", ""}}, 
   {344.2923, 13.939112, "Meta"} -> {{1079454, 5468168, 2437308}, 
     {"1-heptadecanoyl-rac-glycerol [ C20 H40 O4, db=98.52, overall=49.26, \
KEGG ID=, CAS ID=68002-72-2 ]", "68002-72-2"}}, 
   {1468.948, 13.937098, "Meta"} -> {{360255, 310342, 304561}, {"", ""}}, 
   {1436.9904, 13.938028, "Meta"} -> {{334916, 303868, 357418}, {"", ""}}, 
   {1463.9899, 13.9394865, "Meta"} -> {{610907, 500010, 551383}, {"", ""}}, 
   {466.3654, 13.941461, "Meta"} -> {{316453, 140897, 1}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=76.50, overall=38.25, \
Lipid ID=LMST01030128, KEGG ID= ]", ""}}, {1481.017, 13.942124, "Meta"} -> 
    {{303303, 285132, 304802}, {"", ""}}, {1508.0137, 13.944414, "Meta"} -> 
    {{501149, 30690, 41517}, {"", ""}}, {222.1615, 13.993, "Meta"} -> 
    {{52907, 269047, 45132}, {"", ""}}, {1529.9991, 13.944249, "Meta"} -> 
    {{1, 353773, 397604}, {"", ""}}, {283.2872, 13.950055, "Meta"} -> 
    {{406263, 311370, 392999}, {"Stearamide [ C18 H37 N O, db=99.52, \
overall=49.76, KEGG ID=, CAS ID=124-26-5 ]", "124-26-5"}}, 
   {1525.0424, 13.947517, "Meta"} -> {{255538, 236014, 288297}, {"", ""}}, 
   {386.1755, 13.956785, "Meta"} -> {{19536, 17256, 18107}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=50.71, overall=25.36 ]", ""}}, 
   {1623.0092, 13.9477415, "Meta"} -> {{112574, 117776, 1}, {"", ""}}, 
   {428.2901, 13.938, "Meta"} -> {{181753, 109052, 1}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=61.60, \
overall=30.80, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {1618.051, 13.949916, "Meta"} -> {{282625, 1, 260801}, {"", ""}}, 
   {1569.0697, 13.946124, "Meta"} -> {{1, 189179, 253041}, {"", ""}}, 
   {467.3376, 13.954553, "Meta"} -> {{271377, 149227, 1}, {"", ""}}, 
   {347.2825, 13.963371, "Meta"} -> {{308637, 237399, 284297}, 
     {"(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide [ C22 \
H37 N O2, db=98.13, overall=49.07, KEGG ID=, CAS ID= ]", ""}}, 
   {330.2557, 13.959749, "Meta"} -> {{76184, 235730, 299815}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=84.17, \
overall=42.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {1662.0767, 13.946449, "Meta"} -> {{146778, 202266, 151602}, {"", ""}}, 
   {510.3319, 13.973654, "Meta"} -> {{74042, 1, 74174}, 
     {"11-(3-acetoxy-1-propynyl)-1alpha,25-dihydroxy-9,11-didehydrovitamin D3 \
/ 11-(3-acetoxy-1-propynyl)-1 [ C32 H46 O5, db=44.65, overall=22.33, Lipid \
ID=LMST03020511, KEGG ID= ]", ""}}, {452.3502, 13.976595, "Meta"} -> 
    {{27679, 132061, 108423}, {"5beta-Cholestane-3alpha,7alpha,12alpha,25,26-\
pentol [ C27 H48 O5, db=62.10, overall=31.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {1657.1215, 13.958542, "Meta"} -> {{156310, 103359, 153424}, {"", ""}}, 
   {1750.128, 13.9647875, "Meta"} -> {{137001, 1, 108028}, {"", ""}}, 
   {220.146, 13.986333, "Meta"} -> {{1, 1, 37549}, {"", ""}}, 
   {329.2933, 13.898458, "Meta"} -> {{175888, 186181, 263855}, {"", ""}}, 
   {460.3175, 13.9654, "Meta"} -> {{121336, 143190, 108457}, 
     {"(24R)-1alpha,24,25,26-tetrahydroxyvitamin D2 / \
(24R)-1alpha,24,25,26-tetrahydroxyergocalciferol [ C28 H44 O5, db=68.24, \
overall=34.12, Lipid ID=LMST03010054, KEGG ID= ]", ""}}, 
   {1745.1743, 13.967287, "Meta"} -> {{78495, 1, 112311}, {"", ""}}, 
   {1701.1473, 13.966741, "Meta"} -> {{104587, 112817, 136103}, {"", ""}}, 
   {402.2765, 13.957289, "Meta"} -> {{33750, 22260, 42206}, 
     {"1alpha-hydroxy-26,27-dinorvitamin D3 25-carboxylic acid / \
1alpha-hydroxy-26,27-dinorcholecalciferol [ C25 H38 O4, db=52.81, \
overall=26.41, Lipid ID=LMST03020025, KEGG ID= ]", ""}}, 
   {440.3505, 13.985816, "Meta"} -> {{367818, 267568, 328645}, {"", ""}}, 
   {484.3164, 13.975783, "Meta"} -> {{227479, 1, 186078}, {"", ""}}, 
   {653.3246, 13.973182, "Meta"} -> {{56567, 73985, 40230}, {"", ""}}, 
   {334.2482, 13.893001, "Meta"} -> {{924852, 240587, 1094608}, 
     {"Tetrahydrodeoxycorticosterone [ C21 H34 O3, db=65.74, overall=32.87, \
HMP ID=HMDB00879, KEGG ID= ]", ""}}, {1319.1475, 13.976606, "Meta"} -> 
    {{23264, 23707, 25644}, {"", ""}}, {386.3394, 13.973793, "Meta"} -> 
    {{193199, 1, 184286}, {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=89.09, \
overall=44.55, KEGG ID=, CAS ID= ]", ""}}, {831.6982, 13.975789, "Meta"} -> 
    {{23574, 25884, 19484}, {"", ""}}, {806.668, 13.976223, "Meta"} -> 
    {{353034, 327896, 279749}, {"", ""}}, {866.6982, 13.981547, "Meta"} -> 
    {{19204, 24042, 19627}, {"", ""}}, {354.2087, 13.977749, "Meta"} -> 
    {{473545, 456344, 380189}, {"", ""}}, {224.1773, 13.974033, "Meta"} -> 
    {{14751, 1, 15135}, {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=68.79, \
overall=34.39, Lipid ID=, KEGG ID= ]", ""}}, {270.2557, 13.976111, "Meta"} -> 
    {{626922, 583804, 557221}, {"10-methyl-hexadecanoic acid [ C17 H34 O2, \
db=99.62, overall=49.81, Lipid ID=, KEGG ID= ]", ""}}, 
   {1062.9073, 13.976445, "Meta"} -> {{58627, 63540, 48436}, {"", ""}}, 
   {597.4186, 13.975773, "Meta"} -> {{76880, 57934, 66437}, {"", ""}}, 
   {238.2292, 13.975834, "Meta"} -> {{366492, 333387, 313162}, 
     {"cis-11-Hexadecenal [ C16 H30 O, db=98.78, overall=49.39, KEGG ID=, CAS \
ID=53939-28-9 ]", "53939-28-9"}}, {256.2401, 13.976223, "Meta"} -> 
    {{1695566, 1618433, 1598049}, {"2-propyl-tridecanoic acid [ C16 H32 O2, \
db=86.75, overall=43.37, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2322, 13.97861, "Meta"} -> {{205850, 241252, 231766}, {"", ""}}, 
   {386.2337, 13.980557, "Meta"} -> {{1, 22850, 23942}, 
     {"1-tridecanoyl-sn-glycero-3-phosphate [ C16 H37 N O7 P, db=38.62, \
overall=19.31, KEGG ID=, CAS ID= ]", ""}}, {568.3997, 13.977068, "Meta"} -> 
    {{105641, 61950, 55120}, {"1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phosph\
ate (ammonium salt) [ C28 H59 N O8 P, db=52.38, overall=26.19, KEGG ID=, CAS \
ID= ]", ""}}, {374.1813, 13.978594, "Meta"} -> {{32454, 30792, 29438}, 
     {"Glu Asn Leu [ C15 H26 N4 O7, db=57.08, overall=28.54 ]", ""}}, 
   {401.2, 13.978515, "Meta"} -> {{151697, 130992, 99961}, {"", ""}}, 
   {429.2065, 13.981425, "Meta"} -> {{57511, 53060, 43183}, {"", ""}}, 
   {444.2765, 13.977774, "Meta"} -> {{65408, 72496, 78725}, {"", ""}}, 
   {610.4531, 13.979807, "Meta"} -> {{260933, 266576, 252885}, {"", ""}}, 
   {897.0775, 13.963102, "Meta"} -> {{41477, 48670, 1}, {"", ""}}, 
   {420.3661, 13.976656, "Meta"} -> {{32708, 25031, 22117}, {"", ""}}, 
   {294.1873, 13.977543, "Meta"} -> {{55211, 51203, 46961}, 
     {"Sodium tetradecyl sulfate [ C14 H30 O4 S, db=82.16, overall=41.08, \
KEGG ID=, CAS ID=139-88-8 ]", "139-88-8"}}, {556.3739, 13.973735, "Meta"} -> 
    {{208678, 229858, 168144}, {"", ""}}, {540.3787, 13.981038, "Meta"} -> 
    {{122955, 122503, 1}, {"", ""}}, {500.3862, 13.978946, "Meta"} -> 
    {{171891, 145144, 130090}, {"", ""}}, {1838.1816, 13.978887, "Meta"} -> 
    {{73977, 55006, 53055}, {"", ""}}, {273.2666, 13.976639, "Meta"} -> 
    {{93465, 87361, 97424}, {"C16 Sphinganine [ C16 H35 N O2, db=89.23, \
overall=44.61, Lipid ID=LMSP01040001, KEGG ID= ]", ""}}, 
   {370.2578, 13.982139, "Meta"} -> {{79651, 68793, 94399}, {"", ""}}, 
   {470.3612, 13.984445, "Meta"} -> {{140912, 149846, 131041}, {"", ""}}, 
   {307.287, 13.978666, "Meta"} -> {{255484, 105891, 100515}, {"", ""}}, 
   {369.1855, 13.979225, "Meta"} -> {{70170, 52342, 56121}, {"", ""}}, 
   {520.4126, 13.9819145, "Meta"} -> {{397309, 397572, 418572}, {"", ""}}, 
   {560.4047, 13.986311, "Meta"} -> {{241983, 1, 255128}, {"", ""}}, 
   {685.3513, 13.989969, "Meta"} -> {{26946, 28457, 43340}, {"", ""}}, 
   {600.436, 13.992064, "Meta"} -> {{1, 77131, 61269}, {"", ""}}, 
   {276.2085, 13.992001, "Meta"} -> {{44254, 46561, 47296}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=76.40, overall=38.20, Lipid \
ID=, KEGG ID= ]", ""}}, {294.2182, 13.990687, "Meta"} -> 
    {{47643, 42797, 47381}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, \
db=70.71, overall=35.35, Lipid ID=, KEGG ID= ]", ""}}, 
   {486.3319, 13.971826, "Meta"} -> {{257353, 280388, 222034}, {"", ""}}, 
   {1764.1438, 14.027258, "Meta"} -> {{217926, 178812, 1}, {"", ""}}, 
   {306.2556, 13.999083, "Meta"} -> {{456409, 431223, 547560}, 
     {"ETrE(11Z, 14Z, 17Z) [ C20 H34 O2, db=67.35, overall=33.67, Lipid \
ID=LMFA01030378, KEGG ID= ]", ""}}, {507.3694, 13.993544, "Meta"} -> 
    {{3874957, 1103851, 2658047}, {"", ""}}, {323.2821, 13.996278, "Meta"} -> 
    {{207196, 164966, 232301}, {"(9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-die\
namide [ C20 H37 N O2, db=99.15, overall=49.57, KEGG ID=, CAS ID= ]", ""}}, 
   {490.3655, 14.002969, "Meta"} -> {{713663, 1119610, 337341}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=61.55, \
overall=30.77, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {362.1752, 14.002638, "Meta"} -> {{39617, 29811, 34421}, 
     {"Met Gly Arg [ C13 H26 N6 O4 S, db=56.03, overall=28.02 ]", ""}}, 
   {360.2646, 14.006222, "Meta"} -> {{52277, 29443, 70463}, 
     {"1alpha,23-dihydroxy-24,25,26,27-tetranorvitamin D3 / \
1alpha,23-dihydroxy-24,25,26,27-tetranorcholeca [ C23 H36 O3, db=49.92, \
overall=24.96, Lipid ID=LMST03020020, KEGG ID= ]", ""}}, 
   {627.5055, 14.012999, "Meta"} -> {{21782, 18553, 18727}, {"", ""}}, 
   {388.2586, 14.0047655, "Meta"} -> {{21708, 20145, 27204}, 
     {"7,12-Dioxo-5beta-cholan-24-oic Acid [ C24 H36 O4, db=55.81, \
overall=27.91, Lipid ID=, KEGG ID= ]", ""}}, {472.3551, 13.985233, "Meta"} -> 
    {{101122, 53497, 43749}, {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehy\
dro-23-oxavitamin D3 / 26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, \
db=61.77, overall=30.89, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {420.3237, 13.996353, "Meta"} -> {{229739, 301864, 81231}, 
     {"1alpha,2alpha,25-trihydroxy-19-norvitamin D3 / \
1alpha,2alpha,25-trihydroxy-19-norcholecalciferolchol [ C26 H44 O4, db=77.07, \
overall=38.53, Lipid ID=LMST03020547, KEGG ID= ]", ""}}, 
   {512.3477, 14.046452, "Meta"} -> {{152088, 1, 323858}, 
     {"ZK 159222 [ C32 H48 O5, db=50.94, overall=25.47, Lipid \
ID=LMST03020621, KEGG ID= ]", ""}}, {545.3171, 14.010888, "Meta"} -> 
    {{45818, 17643, 35819}, {"", ""}}, {469.2862, 14.021042, "Meta"} -> 
    {{38353, 1, 1}, {"", ""}}, {259.2508, 14.031133, "Meta"} -> 
    {{44539, 21734, 65528}, {"", ""}}, {242.2245, 14.033613, "Meta"} -> 
    {{792643, 393966, 1040124}, {"Isopentadecylic acid [ C15 H30 O2, \
db=99.40, overall=49.70, KEGG ID=, CAS ID= ]", ""}}, 
   {295.2873, 14.061223, "Meta"} -> {{74741, 1, 68290}, {"", ""}}, 
   {408.1761, 14.037353, "Meta"} -> {{1464883, 428827, 1887443}, 
     {"Trp Gly Phe [ C22 H24 N4 O4, db=41.37, overall=20.69 ]", ""}}, 
   {298.2508, 14.035623, "Meta"} -> {{29858, 35453, 65439}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=71.18, overall=35.59, \
Lipid ID=, KEGG ID= ]", ""}}, {454.3265, 13.978308, "Meta"} -> 
    {{1, 288262, 164080}, {"GPCho(O-7:0/O-7:0) [ C22 H49 N O6 P, db=80.05, \
overall=40.03, Lipid ID=LMGP01040080, KEGG ID= ]", ""}}, 
   {449.3718, 14.041364, "Meta"} -> {{601717, 882340, 556200}, {"", ""}}, 
   {171.108, 14.037002, "Meta"} -> {{206387, 1, 243023}, {"", ""}}, 
   {353.3292, 14.065957, "Meta"} -> {{46315, 27942, 21607}, 
     {"(Z)-N-(2-hydroxyethyl)icos-11-enamide [ C22 H43 N O2, db=53.55, \
overall=26.77, KEGG ID=, CAS ID= ]", ""}}, {358.3083, 14.061032, "Meta"} -> 
    {{3790140, 1.01*^7, 3826916}, {"1-octadecanoyl-rac-glycerol [ C21 H42 O4, \
db=91.49, overall=45.75, KEGG ID=, CAS ID= ]", ""}}, 
   {534.3899, 14.062283, "Meta"} -> {{646972, 1094301, 851292}, {"", ""}}, 
   {1218.8057, 14.057057, "Meta"} -> {{827456, 609527, 556744}, {"", ""}}, 
   {642.91, 14.060259, "Meta"} -> {{136682, 112827, 1}, {"", ""}}, 
   {1186.8503, 14.059189, "Meta"} -> {{375059, 384911, 471815}, {"", ""}}, 
   {1103.753, 14.057482, "Meta"} -> {{244398, 1, 1}, {"", ""}}, 
   {1169.8226, 14.057669, "Meta"} -> {{1089986, 972217, 571220}, {"", ""}}, 
   {1262.8317, 14.057412, "Meta"} -> {{403606, 71198, 248093}, 
     {"Ganglioside GM3 (d18:1/24:1(15Z)) [ C65 H118 N2 O21, db=64.86, \
overall=32.43, HMP ID=HMDB04848, KEGG ID= ]", ""}}, 
   {1152.795, 14.05788, "Meta"} -> {{55991, 34304, 37063}, {"", ""}}, 
   {1064.743, 14.0559025, "Meta"} -> {{480660, 412133, 63914}, {"", ""}}, 
   {1213.8492, 14.058307, "Meta"} -> {{580669, 1083524, 1249718}, {"", ""}}, 
   {1020.7168, 14.055375, "Meta"} -> {{386754, 359564, 29780}, {"", ""}}, 
   {507.8499, 14.0589695, "Meta"} -> {{52082, 41359, 57882}, {"", ""}}, 
   {1125.7968, 14.0580015, "Meta"} -> {{668078, 533543, 614000}, {"", ""}}, 
   {1108.7697, 14.056641, "Meta"} -> {{60761, 44898, 45629}, {"", ""}}, 
   {485.8368, 14.06136, "Meta"} -> {{19537, 18446, 20011}, {"", ""}}, 
   {1230.8765, 14.069205, "Meta"} -> {{419608, 369263, 560416}, {"", ""}}, 
   {1306.8593, 14.060386, "Meta"} -> {{749410, 670941, 582677}, {"", ""}}, 
   {1318.9282, 14.062551, "Meta"} -> {{520311, 480613, 1}, {"", ""}}, 
   {1257.8752, 14.0591755, "Meta"} -> {{1251057, 1154188, 1268921}, 
     {"", ""}}, {1037.7437, 14.060363, "Meta"} -> {{446504, 363537, 449641}, 
     {"", ""}}, {1054.7722, 14.059851, "Meta"} -> 
    {{75733, 1, 132557}, {"", ""}}, {1350.8864, 14.060532, "Meta"} -> 
    {{734803, 1, 228715}, {"", ""}}, {1362.9545, 14.064612, "Meta"} -> 
    {{479745, 461878, 717790}, {"", ""}}, {1389.9536, 14.06309, "Meta"} -> 
    {{147108, 120099, 1020220}, {"", ""}}, {1142.8239, 14.061389, "Meta"} -> 
    {{282706, 257795, 382871}, {"", ""}}, {976.6912, 14.068707, "Meta"} -> 
    {{76399, 326658, 1}, {"", ""}}, {422.375, 14.068999, "Meta"} -> 
    {{25054, 23804, 21525}, {"", ""}}, {993.7174, 14.063914, "Meta"} -> 
    {{352891, 291351, 422098}, {"", ""}}, {1438.9374, 14.065999, "Meta"} -> 
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    {{952169, 200975, 887906}, {"", ""}}, {949.6916, 14.066196, "Meta"} -> 
    {{257020, 212032, 289913}, {"", ""}}, {1451.0062, 14.068264, "Meta"} -> 
    {{493207, 461300, 634826}, {"", ""}}, {932.6646, 14.065879, "Meta"} -> 
    {{256789, 229741, 210905}, {"", ""}}, {470.2924, 14.073814, "Meta"} -> 
    {{65854, 71042, 1}, {"", ""}}, {905.6649, 14.069608, "Meta"} -> 
    {{1, 170092, 196847}, {"", ""}}, {1522.0323, 14.071529, "Meta"} -> 
    {{759409, 638689, 650441}, {"", ""}}, {888.6409, 14.076768, "Meta"} -> 
    {{1, 168494, 175366}, {"", ""}}, {1482.9642, 14.067459, "Meta"} -> 
    {{461515, 395896, 88560}, {"", ""}}, {1174.7784, 14.05864, "Meta"} -> 
    {{856751, 453794, 651799}, {"", ""}}, {1526.9904, 14.071257, "Meta"} -> 
    {{394260, 316654, 62008}, {"", ""}}, {1495.0323, 14.071646, "Meta"} -> 
    {{435636, 396542, 586333}, {"", ""}}, {861.6387, 14.075389, "Meta"} -> 
    {{73571, 75790, 119879}, {"", ""}}, {405.3454, 14.078472, "Meta"} -> 
    {{289532, 254903, 259497}, {"", ""}}, {316.2402, 14.079582, "Meta"} -> 
    {{2430225, 969059, 1472279}, {"pregnenolone [ C21 H32 O2, db=98.88, \
overall=49.44, KEGG ID=, CAS ID=1852-38-6 ]", "1852-38-6"}}, 
   {376.2724, 14.080198, "Meta"} -> {{541549, 221804, 618053}, {"", ""}}, 
   {284.2138, 14.07936, "Meta"} -> {{48139, 19916, 86699}, 
     {"11-cis-Retinaldehyde [ C20 H28 O, db=83.12, overall=41.56, HMP \
ID=HMDB02152, KEGG ID= ]", ""}}, {333.2666, 14.079747, "Meta"} -> 
    {{1729649, 744441, 3621430}, {"", ""}}, {805.0406, 14.07626, "Meta"} -> 
    {{25900, 31960, 36529}, {"", ""}}, {529.4339, 14.081344, "Meta"} -> 
    {{44254, 48618, 44416}, {"", ""}}, {1632.0676, 14.078387, "Meta"} -> 
    {{394162, 369826, 1}, {"", ""}}, {1583.085, 14.078301, "Meta"} -> 
    {{353349, 331623, 456357}, {"", ""}}, {1627.1108, 14.078733, "Meta"} -> 
    {{261736, 250618, 1}, {"", ""}}, {1676.0933, 14.06074, "Meta"} -> 
    {{341436, 285435, 1}, {"", ""}}, {1715.1598, 14.067248, "Meta"} -> 
    {{270809, 182484, 22973}, {"", ""}}, {948.6653, 14.082221, "Meta"} -> 
    {{59648, 57601, 56863}, {"", ""}}, {264.2448, 14.087555, "Meta"} -> 
    {{110310, 98009, 99405}, {"9,12-octadecadienal [ C18 H32 O, db=69.08, \
overall=34.54, Lipid ID=, KEGG ID= ]", ""}}, 
   {1813.1312, 14.077153, "Meta"} -> {{96187, 1, 1}, {"", ""}}, 
   {546.5012, 14.088577, "Meta"} -> {{29487, 26854, 21351}, {"", ""}}, 
   {367.1936, 14.089778, "Meta"} -> {{46869, 29759, 25276}, 
     {"N-Desethylquinagolide [ C18 H29 N3 O3 S, db=63.48, overall=31.74, KEGG \
ID=, CAS ID= ]", ""}}, {602.4589, 14.089057, "Meta"} -> 
    {{529373, 477834, 458584}, {"", ""}}, {1808.1718, 14.068594, "Meta"} -> 
    {{151739, 133990, 20402}, {"", ""}}, {884.7153, 14.088696, "Meta"} -> 
    {{173365, 136997, 150761}, {"", ""}}, {380.2247, 14.088887, "Meta"} -> 
    {{535213, 427108, 461790}, {"", ""}}, {282.2564, 14.088139, "Meta"} -> 
    {{3501038, 1378746, 2173233}, {"5-octadecylenic acid [ C18 H34 O2, \
db=98.70, overall=49.35, Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, 
   {486.3322, 14.0887165, "Meta"} -> {{649333, 578206, 1}, {"", ""}}, 
   {868.7374, 14.088824, "Meta"} -> {{31412, 21444, 24929}, {"", ""}}, 
   {299.2823, 14.088805, "Meta"} -> {{479230, 396279, 500998}, 
     {"3-Dehydrosphinganine [ C18 H37 N O2, db=99.55, overall=49.78, KEGG \
ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {338.1754, 14.0895, "Meta"} -> {{88294, 72150, 1}, 
     {"2,3-Dinor-6,15-diketo-13,14-dihydro-PGF1a [ C18 H26 O6, db=42.53, \
overall=21.26, KEGG ID=, CAS ID= ]", ""}}, {586.4805, 14.089943, "Meta"} -> 
    {{36896, 53337, 52451}, {"3',4'-Dihydrorhodovibrin [ C41 H62 O2, \
db=20.76, overall=10.38, Lipid ID=LMPR01070139, KEGG ID= ]", ""}}, 
   {440.2498, 14.08963, "Meta"} -> {{66208, 63331, 73425}, {"", ""}}, 
   {404.1936, 14.090585, "Meta"} -> {{1, 26436, 27204}, 
     {"Lys Glu Glu [ C16 H28 N4 O8, db=45.07, overall=22.53 ]", ""}}, 
   {398.202, 14.090389, "Meta"} -> {{108578, 98902, 85938}, 
     {"His Arg Ser [ C15 H26 N8 O5, db=43.07, overall=21.53 ]", ""}}, 
   {395.1929, 14.089863, "Meta"} -> {{156034, 124205, 103725}, {"", ""}}, 
   {1720.1184, 14.061962, "Meta"} -> {{253290, 186893, 22368}, {"", ""}}, 
   {434.3862, 14.09189, "Meta"} -> {{69615, 68118, 59395}, {"", ""}}, 
   {320.2035, 14.088819, "Meta"} -> {{56528, 73618, 58121}, {"", ""}}, 
   {357.2667, 14.066502, "Meta"} -> {{71327, 28290, 111309}, {"", ""}}, 
   {1803.2148, 14.080516, "Meta"} -> {{99068, 1, 1}, {"", ""}}, 
   {1847.2441, 14.088383, "Meta"} -> {{91886, 88558, 108638}, {"", ""}}, 
   {1852.1967, 14.0926, "Meta"} -> {{84704, 92268, 96843}, {"", ""}}, 
   {1896.2227, 14.094833, "Meta"} -> {{86161, 1, 71917}, {"", ""}}, 
   {662.4873, 14.106453, "Meta"} -> {{66497, 36284, 87968}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaeno\
yl)-sn-glycerol [ C43 H66 O5, db=68.73, overall=34.37, KEGG ID=, CAS ID= ]", 
      ""}}, {498.3687, 14.089807, "Meta"} -> {{45912, 42739, 31162}, 
     {"(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a,24\
b,24c-trihomo-20-epivitamin D3 [ C32 H50 O4, db=49.58, overall=24.79, Lipid \
ID=LMST03020516, KEGG ID= ]", ""}}, {509.3843, 14.0923605, "Meta"} -> 
    {{7261402, 3097273, 7741063}, {"", ""}}, {466.3657, 14.105546, "Meta"} -> 
    {{581393, 324293, 332438}, {"6alpha-Hydroxycastasterone [ C28 H50 O5, \
db=82.12, overall=41.06, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {292.2399, 14.107418, "Meta"} -> {{434786, 174159, 581077}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=85.29, overall=42.65, \
HMP ID=HMDB00412, KEGG ID= ]", ""}}, {580.4317, 14.10757, "Meta"} -> 
    {{87568, 73510, 88625}, {"GPCho(O-18:0/4:0) [ C30 H63 N O7 P, db=63.24, \
overall=31.62, Lipid ID=LMGP01020116, KEGG ID= ]", ""}}, 
   {352.2723, 14.1108885, "Meta"} -> {{181652, 77888, 216166}, {"", ""}}, 
   {309.2668, 14.111446, "Meta"} -> {{429784, 161874, 828979}, 
     {"Dicyclomine [ C19 H35 N O2, db=99.35, overall=49.67, KEGG ID=C06951, \
CAS ID=77-19-0 ]", "77-19-0"}}, {222.1617, 14.1038265, "Meta"} -> 
    {{466107, 140200, 1}, {"", ""}}, {960.7672, 14.101361, "Meta"} -> 
    {{200292, 223329, 142974}, {"", ""}}, {499.2963, 14.121678, "Meta"} -> 
    {{75130, 61439, 76381}, {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, \
db=89.57, overall=44.79, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {484.378, 14.105919, "Meta"} -> {{45570, 60215, 15186}, {"", ""}}, 
   {420.3042, 14.12719, "Meta"} -> {{250599, 74661, 304662}, 
     {"3D,7D,11D-Phytanic acid [ C29 H40 O2, db=55.51, overall=27.76, HMP \
ID=HMDB00417, KEGG ID= ]", ""}}, {696.4838, 14.114749, "Meta"} -> 
    {{261062, 239346, 177171}, {"", ""}}, {514.423, 14.141911, "Meta"} -> 
    {{61525, 55712, 52205}, {"", ""}}, {678.511, 14.121193, "Meta"} -> 
    {{232135, 197587, 252440}, {"GPCho(14:0/14:0[U]) [ C36 H73 N O8 P, \
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   {895.5533, 14.136167, "Meta"} -> {{48056, 52052, 28135}, {"", ""}}, 
   {422.34, 14.145611, "Meta"} -> {{94480, 304182, 98523}, {"", ""}}, 
   {340.298, 14.148811, "Meta"} -> {{1748830, 2158223, 1338893}, 
     {"20-oxo-heneicosanoic acid [ C21 H40 O3, db=96.35, overall=48.18, Lipid \
ID=, KEGG ID= ]", ""}}, {352.334, 14.145808, "Meta"} -> 
    {{54821, 42669, 44620}, {"14Z-tricosenoic acid [ C23 H44 O2, db=81.01, \
overall=40.50, Lipid ID=, KEGG ID= ]", ""}}, 
   {1036.8195, 14.135778, "Meta"} -> {{288041, 347277, 213495}, {"", ""}}, 
   {741.6305, 14.144343, "Meta"} -> {{2378384, 2931132, 1839724}, {"", ""}}, 
   {384.3049, 14.142907, "Meta"} -> {{69947, 1, 38450}, {"", ""}}, 
   {403.3659, 14.148665, "Meta"} -> {{272195, 444742, 314432}, {"", ""}}, 
   {772.5821, 14.131801, "Meta"} -> {{54378, 107552, 75812}, 
     {"GPCho(16:0/19:2(9Z,12Z)[U]) [ C43 H83 N O8 P, db=73.13, overall=36.57, \
Lipid ID=LMGP01010610, KEGG ID= ]", ""}}, {764.5958, 14.144802, "Meta"} -> 
    {{218027, 128576, 204097}, {"", ""}}, {1054.792, 14.132248, "Meta"} -> 
    {{144744, 42914, 90331}, {"", ""}}, {266.2608, 14.148749, "Meta"} -> 
    {{439379, 595437, 393497}, {"3E,13Z-octadecadien-1-ol [ C18 H34 O, \
db=97.90, overall=48.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {375.3339, 14.148222, "Meta"} -> {{8602213, 1.17*^7, 8688710}, {"", ""}}, 
   {358.3078, 14.148471, "Meta"} -> {{6.05*^7, 7.56*^7, 4.35*^7}, 
     {"1-octadecanoyl-rac-glycerol [ C21 H42 O4, db=98.40, overall=49.20, \
KEGG ID=, CAS ID= ]", ""}}, {418.3406, 14.1476965, "Meta"} -> 
    {{2825291, 4262636, 1763987}, {"1alpha,25-dihydroxy-2alpha-methyl-19-norv\
itamin D3 / 1alpha,25-dihydroxy-2alpha-methyl-19-norcholeca [ C27 H46 O3, \
db=67.02, overall=33.51, Lipid ID=LMST03020553, KEGG ID= ]", ""}}, 
   {639.5801, 14.147194, "Meta"} -> {{87569, 123140, 62369}, {"", ""}}, 
   {1200.9023, 14.160806, "Meta"} -> {{82703, 91398, 60011}, {"", ""}}, 
   {1112.877, 14.148324, "Meta"} -> {{1506933, 1952402, 1249086}, {"", ""}}, 
   {814.5844, 14.151257, "Meta"} -> {{328213, 471612, 237611}, {"", ""}}, 
   {769.529, 14.1481085, "Meta"} -> {{356962, 436640, 227462}, {"", ""}}, 
   {1471.1823, 14.148783, "Meta"} -> {{1212938, 1681304, 767698}, {"", ""}}, 
   {343.3194, 14.142917, "Meta"} -> {{110865, 140929, 100658}, {"", ""}}, 
   {527.2676, 14.149583, "Meta"} -> {{204778, 242828, 138909}, {"", ""}}, 
   {456.2764, 14.150944, "Meta"} -> {{925272, 1158920, 602293}, {"", ""}}, 
   {480.2429, 14.151414, "Meta"} -> {{78624, 77425, 76319}, {"", ""}}, 
   {389.3503, 14.147706, "Meta"} -> {{159547, 188408, 118750}, {"", ""}}, 
   {424.2965, 14.153561, "Meta"} -> {{84912, 128217, 83953}, 
     {"(22E,24E,26E)-1alpha,26b-dihydroxy-22,23,24,25,26,26a-hexadehydro-26a,\
26b-dihomo-27-norvitamin D3 / [ C28 H40 O3, db=44.45, overall=22.22, Lipid \
ID=LMST03020312, KEGG ID= ]", ""}}, {454.3656, 14.155731, "Meta"} -> 
    {{92219, 51805, 107330}, {"", ""}}, {564.5589, 14.166798, "Meta"} -> 
    {{22186, 20815, 16163}, {"", ""}}, {426.327, 14.133777, "Meta"} -> 
    {{55683, 104008, 56932}, {"", ""}}, {846.402, 14.16888, "Meta"} -> 
    {{233039, 220700, 232318}, {"", ""}}, {934.6778, 14.200471, "Meta"} -> 
    {{60086, 106171, 36656}, {"", ""}}, {466.1108, 14.175235, "Meta"} -> 
    {{489150, 417242, 620373}, {"", ""}}, {285.267, 14.18239, "Meta"} -> 
    {{223076, 96340, 466337}, {"C17 Sphingosine [ C17 H35 N O2, db=93.80, \
overall=46.90, Lipid ID=LMSP01040002, KEGG ID= ]", ""}}, 
   {436.3163, 14.176588, "Meta"} -> {{1, 388911, 295835}, 
     {"4,4-difluoro-1alpha-hydroxyvitamin D3 / \
4,4-difluoro-1alpha-hydroxycholecalciferol [ C27 H42 F2 O2, db=84.08, \
overall=42.04, Lipid ID=LMST03020138, KEGG ID= ]", ""}}, 
   {268.24, 14.176917, "Meta"} -> {{1400991, 383542, 1834279}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=92.99, overall=46.49, Lipid \
ID=LMFA01030060, KEGG ID= ]", ""}}, {446.3394, 14.189685, "Meta"} -> 
    {{1065709, 299094, 941147}, {"1alpha,25-dihydroxy-11beta-methoxyvitamin \
D3 / 1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, \
db=80.19, overall=40.09, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {398.3198, 14.172886, "Meta"} -> {{62639, 1, 61179}, 
     {"(22Z)-1beta-hydroxy-22,23-didehydrovitamin D_3 / \
(22Z)-1beta-hydroxy-22,23-didehydrocholecalciferol [ C27 H42 O2, db=77.14, \
overall=38.57, Lipid ID=LMST03020151, KEGG ID= ]", ""}}, 
   {434.2678, 14.188435, "Meta"} -> {{1, 1, 1}, {"6'-Hydroxymethylsimvastatin \
[ C25 H38 O6, db=84.90, overall=42.45, KEGG ID=, CAS ID=114883-29-3 ]", 
      "114883-29-3"}}, {1364.8975, 14.194389, "Meta"} -> 
    {{1, 146293, 118613}, {"Ganglioside GA1 (d18:1/26:1(17Z)) [ C70 H128 N2 \
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   {1447.9952, 14.192001, "Meta"} -> {{901764, 820912, 832800}, {"", ""}}, 
   {1492.0217, 14.194573, "Meta"} -> {{798563, 684721, 766765}, {"", ""}}, 
   {412.2971, 14.195, "Meta"} -> {{99930, 58701, 104168}, 
     {"Calcipotriene [ C27 H40 O3, db=80.60, overall=40.30, KEGG ID=, CAS \
ID=112965-21-6 ]", "112965-21-6"}}, {1496.9803, 14.19325, "Meta"} -> 
    {{443267, 350776, 54004}, {"", ""}}, {1420.9965, 14.197917, "Meta"} -> 
    {{423278, 416430, 741106}, {"", ""}}, {1624.1003, 14.197062, "Meta"} -> 
    {{1, 425464, 42917}, {"", ""}}, {1817.2332, 14.199793, "Meta"} -> 
    {{1, 126668, 205404}, {"", ""}}, {1597.101, 14.198148, "Meta"} -> 
    {{338446, 306138, 1}, {"", ""}}, {1408.9271, 14.194473, "Meta"} -> 
    {{544146, 424816, 95751}, {"", ""}}, {1861.258, 14.196594, "Meta"} -> 
    {{127161, 76014, 152277}, {"", ""}}, {1403.9694, 14.194972, "Meta"} -> 
    {{941466, 811698, 883450}, {"", ""}}, {1452.9532, 14.194514, "Meta"} -> 
    {{502871, 369312, 113084}, {"", ""}}, {1509.0479, 14.196716, "Meta"} -> 
    {{384675, 1, 646570}, {"", ""}}, {1465.0219, 14.194402, "Meta"} -> 
    {{416455, 414970, 721680}, {"", ""}}, {1553.0742, 14.197194, "Meta"} -> 
    {{387900, 334693, 1}, {"", ""}}, {1562.9896, 14.198364, "Meta"} -> 
    {{282065, 227890, 180208}, {"", ""}}, {1536.0472, 14.194414, "Meta"} -> 
    {{724115, 157898, 133506}, {"", ""}}, {1376.9705, 14.195032, "Meta"} -> 
    {{453206, 1, 767655}, {"", ""}}, {1602.0566, 14.198463, "Meta"} -> 
    {{486471, 413824, 1}, {"", ""}}, {1729.1761, 14.185585, "Meta"} -> 
    {{220463, 192507, 285506}, {"", ""}}, {1695.0688, 14.195794, "Meta"} -> 
    {{201556, 143369, 131468}, {"", ""}}, {1734.1353, 14.190585, "Meta"} -> 
    {{308162, 32400, 286718}, {"", ""}}, {1783.1184, 14.192629, "Meta"} -> 
    {{135392, 98552, 82605}, {"", ""}}, {649.9173, 14.20141, "Meta"} -> 
    {{94988, 73637, 70034}, {"", ""}}, {484.2849, 14.207409, "Meta"} -> 
    {{35868, 30006, 26626}, {"GPGro(16:0/0:0)[U] [ C22 H45 O9 P, db=38.98, \
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   {1690.1084, 14.19928, "Meta"} -> {{359199, 318463, 1}, {"", ""}}, 
   {1739.0945, 14.198658, "Meta"} -> {{169639, 141101, 112877}, {"", ""}}, 
   {1651.0406, 14.192531, "Meta"} -> {{223898, 175597, 147824}, {"", ""}}, 
   {1641.1263, 14.192625, "Meta"} -> {{295028, 293855, 458053}, {"", ""}}, 
   {1271.8907, 14.198788, "Meta"} -> {{948128, 391170, 918858}, {"", ""}}, 
   {1773.2079, 14.200658, "Meta"} -> {{170840, 170919, 1}, {"", ""}}, 
   {1822.1873, 14.202721, "Meta"} -> {{194565, 179196, 1}, {"", ""}}, 
   {613.9317, 14.198634, "Meta"} -> {{632178, 564692, 622036}, {"", ""}}, 
   {1866.2135, 14.191801, "Meta"} -> {{1, 130971, 141585}, {"", ""}}, 
   {649.4179, 14.206075, "Meta"} -> {{158121, 1, 99607}, {"", ""}}, 
   {1276.8481, 14.198558, "Meta"} -> {{285602, 246362, 181319}, {"", ""}}, 
   {1288.9185, 14.196689, "Meta"} -> {{1, 334606, 1}, {"", ""}}, 
   {1871.1737, 14.199768, "Meta"} -> {{86148, 1, 55791}, {"", ""}}, 
   {1232.82, 14.198863, "Meta"} -> {{291379, 388480, 192728}, {"", ""}}, 
   {1827.1462, 14.200866, "Meta"} -> {{103530, 81855, 75163}, {"", ""}}, 
   {1778.1611, 14.200578, "Meta"} -> {{236772, 1, 1}, {"", ""}}, 
   {1244.8917, 14.2033415, "Meta"} -> {{1, 275442, 495444}, {"", ""}}, 
   {583.7208, 14.204438, "Meta"} -> {{25849, 1, 1}, {"", ""}}, 
   {1249.8477, 14.203148, "Meta"} -> {{441696, 389826, 470399}, {"", ""}}, 
   {1200.8668, 14.204945, "Meta"} -> {{225132, 218920, 372228}, {"", ""}}, 
   {365.3013, 14.216527, "Meta"} -> {{78936, 54686, 78311}, {"", ""}}, 
   {1188.7935, 14.202201, "Meta"} -> {{295988, 248184, 197642}, {"", ""}}, 
   {605.8921, 14.206543, "Meta"} -> {{57667, 42906, 45634}, {"", ""}}, 
   {1183.8381, 14.204194, "Meta"} -> {{708543, 674285, 753322}, {"", ""}}, 
   {1144.769, 14.20787, "Meta"} -> {{125850, 211776, 1}, {"", ""}}, 
   {424.3908, 14.209613, "Meta"} -> {{44737, 42905, 36575}, {"", ""}}, 
   {554.3656, 14.166631, "Meta"} -> {{30757, 90385, 1}, {"", ""}}, 
   {1156.8387, 14.209628, "Meta"} -> {{130273, 137111, 292535}, {"", ""}}, 
   {1139.8115, 14.206183, "Meta"} -> {{592751, 225527, 315847}, {"", ""}}, 
   {406.3804, 14.209417, "Meta"} -> {{39042, 36125, 34901}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=79.02, \
overall=39.51, Lipid ID=, KEGG ID= ]", ""}}, {440.3857, 14.214, "Meta"} -> 
    {{208784, 222085, 207373}, {"", ""}}, {488.3482, 14.211999, "Meta"} -> 
    {{140587, 299501, 139437}, {"", ""}}, {1100.7411, 14.209909, "Meta"} -> 
    {{194404, 189646, 154691}, {"", ""}}, {514.4233, 14.214094, "Meta"} -> 
    {{40005, 268973, 44823}, {"", ""}}, {1116.779, 14.224416, "Meta"} -> 
    {{567737, 437504, 195032}, {"", ""}}, {328.3451, 14.2168, "Meta"} -> 
    {{213811, 126354, 284819}, {"", ""}}, {283.2869, 14.21733, "Meta"} -> 
    {{8684438, 4503323, 6192227}, {"Stearamide [ C18 H37 N O, db=96.78, \
overall=48.39, KEGG ID=, CAS ID=124-26-5 ]", "124-26-5"}}, 
   {431.3039, 14.195275, "Meta"} -> {{113684, 1, 101195}, {"", ""}}, 
   {1051.7598, 14.215641, "Meta"} -> {{206913, 166100, 182115}, {"", ""}}, 
   {1095.7856, 14.213828, "Meta"} -> {{284955, 290396, 295853}, {"", ""}}, 
   {1012.6886, 14.219436, "Meta"} -> {{1, 60243, 51205}, {"", ""}}, 
   {1022.7088, 14.223097, "Meta"} -> {{75370, 29219, 24285}, {"", ""}}, 
   {422.3747, 14.206687, "Meta"} -> {{47298, 25949, 46276}, {"", ""}}, 
   {1007.7326, 14.221612, "Meta"} -> {{126920, 121392, 142676}, {"", ""}}, 
   {518.3967, 14.2736025, "Meta"} -> {{193406, 171243, 171661}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=61.50, \
overall=30.75, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {1885.1884, 14.293885, "Meta"} -> {{100486, 83383, 74684}, {"", ""}}, 
   {325.2996, 14.210102, "Meta"} -> {{13953, 26568, 27353}, 
     {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, db=43.24, overall=21.62, \
KEGG ID=, CAS ID= ]", ""}}, {612.4955, 14.216895, "Meta"} -> 
    {{171720, 1, 113258}, {"", ""}}, {624.5072, 14.226657, "Meta"} -> 
    {{48136, 260208, 173176}, {"", ""}}, {538.3636, 14.237194, "Meta"} -> 
    {{804868, 498597, 84614}, {"", ""}}, {308.2716, 14.231286, "Meta"} -> 
    {{48910, 43824, 44281}, {"5,11-Eicosadienoic acid [ C20 H36 O2, db=81.25, \
overall=40.62, Lipid ID=, KEGG ID= ]", ""}}, {278.2241, 14.218176, "Meta"} -> 
    {{46911, 97461, 95643}, {"beta-eleostearic acid [ C18 H30 O2, db=83.37, \
overall=41.68, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {963.7065, 14.228668, "Meta"} -> {{67023, 66654, 75767}, {"", ""}}, 
   {369.3356, 14.230916, "Meta"} -> {{488597, 315288, 172456}, {"", ""}}, 
   {309.3033, 14.23247, "Meta"} -> {{2408889, 1146085, 1126432}, {"", ""}}, 
   {538.4231, 14.239277, "Meta"} -> {{3125750, 628025, 2762645}, 
     {"GPCho(O-16:0/O-4:0[U]) [ C28 H61 N O6 P, db=76.53, overall=38.26, \
Lipid ID=LMGP01040044, KEGG ID= ]", ""}}, {520.413, 14.242222, "Meta"} -> 
    {{1216024, 1254724, 1252594}, {"", ""}}, {647.3629, 14.24356, "Meta"} -> 
    {{32802, 1, 1}, {"", ""}}, {591.3425, 14.248113, "Meta"} -> 
    {{40974, 31115, 21584}, {"", ""}}, {636.3988, 14.250115, "Meta"} -> 
    {{44613, 39370, 28832}, {"", ""}}, {1098.8239, 14.252852, "Meta"} -> 
    {{114878, 88858, 1}, {"", ""}}, {594.3456, 14.25331, "Meta"} -> 
    {{61860, 26023, 29401}, {"L-Urobilin [ C33 H46 N4 O6, db=35.51, \
overall=17.75, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {256.24, 14.260359, "Meta"} -> {{144212, 73393, 141491}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=78.64, overall=39.32, Lipid \
ID=, KEGG ID= ]", ""}}, {387.3139, 14.260241, "Meta"} -> 
    {{63120, 66716, 167141}, {"", ""}}, {373.2977, 14.262173, "Meta"} -> 
    {{94982, 80359, 129146}, {"Arachidonoylmorpholine [ C24 H39 N O2, \
db=92.07, overall=46.03, Lipid ID=LMFA08020052, KEGG ID= ]", ""}}, 
   {227.1883, 14.25888, "Meta"} -> {{50413, 42332, 41742}, {"", ""}}, 
   {310.2297, 14.267167, "Meta"} -> {{123421, 80744, 151335}, 
     {"Desogestrel [ C22 H30 O, db=87.12, overall=43.56, KEGG ID=, CAS \
ID=54024-22-5 ]", "54024-22-5"}}, {402.2882, 14.268779, "Meta"} -> 
    {{1940826, 986961, 1321844}, {"", ""}}, {359.2815, 14.267722, "Meta"} -> 
    {{1.19*^7, 7920318, 2.11*^7}, {"", ""}}, {272.1768, 14.267366, "Meta"} -> 
    {{25971, 1, 37608}, {"5,8,11-octadecatriynoic acid [ C18 H24 O2, \
db=55.08, overall=27.54, Lipid ID=, KEGG ID= ]", ""}}, 
   {390.3498, 14.261562, "Meta"} -> {{20273, 17408, 31799}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=62.19, overall=31.10, \
Lipid ID=, KEGG ID= ]", ""}}, {440.2236, 14.264084, "Meta"} -> 
    {{50991, 34894, 34019}, {"", ""}}, {458.1971, 14.265822, "Meta"} -> 
    {{27499, 16234, 17787}, {"", ""}}, {722.4598, 14.266535, "Meta"} -> 
    {{27124, 1, 24528}, {"", ""}}, {698.4571, 14.2792225, "Meta"} -> 
    {{43825, 30988, 26131}, {"", ""}}, {1016.7246, 14.284067, "Meta"} -> 
    {{1, 43735, 51984}, {"", ""}}, {234.1617, 14.2904, "Meta"} -> 
    {{725349, 1, 788832}, {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,1\
1-didehydrovitamin D3 / 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=69.61, \
overall=34.81, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {416.2236, 14.286627, "Meta"} -> {{58128, 57581, 45754}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=73.66, \
overall=36.83, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {134.1094, 14.287377, "Meta"} -> {{30003, 1, 292526}, 
     {"p-Cymene [ C10 H14, db=86.48, overall=43.24, Lipid ID=LMPR01020045, \
KEGG ID=C06575 ]", ""}}, {349.2979, 14.288562, "Meta"} -> 
    {{77042, 73347, 159874}, {"Anandamide (20:3, n-3) [ C22 H39 N O2, \
db=74.63, overall=37.32, Lipid ID=LMFA08040005, KEGG ID= ]", ""}}, 
   {378.288, 14.29039, "Meta"} -> {{1203409, 582548, 832474}, {"", ""}}, 
   {1116.8062, 14.30288, "Meta"} -> {{123009, 124400, 80595}, {"", ""}}, 
   {286.2294, 14.290941, "Meta"} -> {{482812, 265088, 568215}, 
     {"11-cis-Retinol [ C20 H30 O, db=99.50, overall=49.75, Lipid \
ID=LMPR01090005, KEGG ID=C00899 ]", ""}}, {318.255, 14.292167, "Meta"} -> 
    {{1.65*^7, 8579776, 6483818}, {"Allopregnanolone [ C21 H34 O2, db=64.02, \
overall=32.01, Lipid ID=LMST02030130, KEGG ID= ]", ""}}, 
   {1310.9695, 14.290519, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {434.1969, 14.290781, "Meta"} -> {{21518, 16785, 12409}, 
     {"Trp Met Val [ C21 H30 N4 O4 S, db=56.25, overall=28.12 ]", ""}}, 
   {335.2815, 14.294109, "Meta"} -> {{8827067, 5783142, 1.68*^7}, {"", ""}}, 
   {468.3816, 14.297306, "Meta"} -> {{1946054, 1947600, 3813507}, {"", ""}}, 
   {1044.7502, 14.296883, "Meta"} -> {{133898, 110788, 89059}, {"", ""}}, 
   {674.4608, 14.296427, "Meta"} -> {{1, 22907, 39794}, {"", ""}}, 
   {1022.7092, 14.298482, "Meta"} -> {{1, 67783, 1}, {"", ""}}, 
   {1963.3293, 14.298726, "Meta"} -> {{54987, 1, 70038}, {"", ""}}, 
   {577.3202, 14.3007145, "Meta"} -> {{37250, 32628, 22643}, 
     {"dihydro-alpha-ergocryptine [ C32 H43 N5 O5, db=34.25, overall=17.13, \
KEGG ID=, CAS ID= ]", ""}}, {1028.7731, 14.29594, "Meta"} -> 
    {{39352, 34888, 35594}, {"TG(22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z\
)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] [ C69 H104 O6, db=30.37, overall=15.19, \
Lipid ID=LMGL03012602, KEGG ID= ]", ""}}, {468.3218, 14.263261, "Meta"} -> 
    {{1, 866840, 1}, {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-did\
ehydrovitamin D3 / 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=54.09, \
overall=27.05, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {1880.2303, 14.295215, "Meta"} -> {{142033, 126012, 104615}, {"", ""}}, 
   {562.4212, 14.302342, "Meta"} -> {{2477493, 2225517, 2301883}, {"", ""}}, 
   {952.666, 14.2989645, "Meta"} -> {{40251, 1, 1}, {"", ""}}, 
   {366.3494, 14.30147, "Meta"} -> {{26605, 21687, 20558}, 
     {"Nervonic acid [ C24 H46 O2, db=79.78, overall=39.89, KEGG ID=, CAS \
ID=506-37-6 ]", "506-37-6"}}, {484.287, 14.291407, "Meta"} -> 
    {{40382, 37401, 1}, {"", ""}}, {661.7696, 14.304938, "Meta"} -> 
    {{52864, 46898, 49044}, {"", ""}}, {1836.2034, 14.306453, "Meta"} -> 
    {{186483, 176227, 1}, {"", ""}}, {634.0719, 14.305877, "Meta"} -> 
    {{43555, 28342, 30949}, {"", ""}}, {603.0685, 14.306771, "Meta"} -> 
    {{65027, 58097, 65747}, {"", ""}}, {604.7206, 14.3060255, "Meta"} -> 
    {{42025, 35199, 30357}, {"", ""}}, {1748.1512, 14.302379, "Meta"} -> 
    {{317125, 272801, 1}, {"", ""}}, {573.7178, 14.306849, "Meta"} -> 
    {{44977, 42533, 43551}, {"", ""}}, {1792.1765, 14.2968, "Meta"} -> 
    {{264197, 214476, 1}, {"", ""}}, {60.0325, 14.311346, "Meta"} -> 
    {{461369, 1, 278219}, {"Urea [ C H4 N2 O, db=87.29, overall=43.65, KEGG \
ID=C00086, CAS ID=57-13-6 ]", "57-13-6"}}, {968.7169, 14.309335, "Meta"} -> 
    {{78220, 44915, 70755}, {"", ""}}, {1787.222, 14.30246, "Meta"} -> 
    {{163488, 1, 1}, {"", ""}}, {559.0424, 14.307241, "Meta"} -> 
    {{35482, 35022, 35064}, {"", ""}}, {590.0455, 14.306272, "Meta"} -> 
    {{39453, 30133, 25613}, {"", ""}}, {1831.2483, 14.304244, "Meta"} -> 
    {{128243, 135594, 1}, {"", ""}}, {1743.1947, 14.307287, "Meta"} -> 
    {{228414, 245697, 334409}, {"", ""}}, {647.0946, 14.304667, "Meta"} -> 
    {{58262, 49773, 60374}, {"", ""}}, {1699.1694, 14.298276, "Meta"} -> 
    {{1, 266095, 1}, {"", ""}}, {630.768, 14.307372, "Meta"} -> 
    {{1, 62862, 80017}, {"", ""}}, {1665.057, 14.310457, "Meta"} -> 
    {{1, 222852, 210696}, {"", ""}}, {2012.3074, 14.281552, "Meta"} -> 
    {{52381, 52941, 1}, {"", ""}}, {1924.2563, 14.306934, "Meta"} -> 
    {{114465, 1, 81434}, {"", ""}}, {1616.0728, 14.3115015, "Meta"} -> 
    {{525086, 472456, 1}, {"", ""}}, {1875.2738, 14.2969675, "Meta"} -> 
    {{107123, 97903, 120342}, {"", ""}}, {1550.0645, 14.311656, "Meta"} -> 
    {{56035, 581492, 1}, {"", ""}}, {648.7473, 14.305516, "Meta"} -> 
    {{40014, 25746, 28502}, {"", ""}}, {1523.0645, 14.315276, "Meta"} -> 
    {{467126, 451897, 1}, {"", ""}}, {1506.0385, 14.314786, "Meta"} -> 
    {{758058, 658614, 1}, {"", ""}}, {1462.0117, 14.3143835, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {298.2506, 14.321658, "Meta"} -> 
    {{208742, 195229, 498087}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=73.00, overall=36.50, Lipid ID=, KEGG ID= ]", ""}}, 
   {650.4595, 14.318721, "Meta"} -> {{31355, 12135, 23877}, {"", ""}}, 
   {1435.0125, 14.319297, "Meta"} -> {{490738, 446643, 1}, {"", ""}}, 
   {152.1198, 14.325621, "Meta"} -> {{30890, 1, 1}, 
     {"Limonene-1,2-epoxide [ C10 H16 O, db=71.21, overall=35.61, Lipid \
ID=LMPR01020046, KEGG ID=C07271 ]", ""}}, {1417.9856, 14.31611, "Meta"} -> 
    {{773578, 749723, 1}, {"", ""}}, {596.3593, 14.318885, "Meta"} -> 
    {{94330, 98564, 67823}, {"", ""}}, {1373.9594, 14.321887, "Meta"} -> 
    {{784139, 675753, 66555}, {"", ""}}, {944.712, 14.3222, "Meta"} -> 
    {{74756, 62454, 80328}, {"", ""}}, {196.1459, 14.323223, "Meta"} -> 
    {{1, 13392, 30625}, {"4-dodecynoic acid [ C12 H20 O2, db=55.50, \
overall=27.75, Lipid ID=, KEGG ID= ]", ""}}, 
   {1329.9312, 14.326601, "Meta"} -> {{126519, 132518, 29985}, {"", ""}}, 
   {1346.9602, 14.32572, "Meta"} -> {{385782, 1, 1}, {"", ""}}, 
   {626.4591, 14.3310995, "Meta"} -> {{181470, 1, 26402}, {"", ""}}, 
   {244.2189, 14.325999, "Meta"} -> {{132756, 72710, 163272}, {"", ""}}, 
   {325.2979, 14.328285, "Meta"} -> {{49515, 29274, 90056}, 
     {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, db=68.35, overall=34.18, \
KEGG ID=, CAS ID= ]", ""}}, {294.2551, 14.3272505, "Meta"} -> 
    {{1.5*^7, 3556324, 7777376}, {"Sterculic acid [ C19 H34 O2, db=82.34, \
overall=41.17, Lipid ID=LMFA01030190, KEGG ID= ]", ""}}, 
   {262.2296, 14.327582, "Meta"} -> {{563925, 301699, 658404}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=81.28, overall=40.64, Lipid \
ID=, KEGG ID= ]", ""}}, {238.1927, 14.326264, "Meta"} -> 
    {{28962, 15424, 32245}, {"3-pentadecynoic acid [ C15 H26 O2, db=57.86, \
overall=28.93, Lipid ID=, KEGG ID= ]", ""}}, {392.2238, 14.332555, "Meta"} -> 
    {{107179, 80832, 82689}, {"6b-Hydroxycortisol [ C22 H32 O6, db=57.81, \
overall=28.91, KEGG ID=, CAS ID=53-35-0 ]", "53-35-0"}}, 
   {1285.907, 14.330352, "Meta"} -> {{651073, 548434, 84885}, {"", ""}}, 
   {198.1614, 14.327666, "Meta"} -> {{48521, 1, 1}, 
     {"9-lauroleic acid [ C12 H22 O2, db=55.65, overall=27.83, Lipid \
ID=LMFA01030041, KEGG ID= ]", ""}}, {311.2817, 14.328415, "Meta"} -> 
    {{6228933, 3847764, 1.15*^7}, {"", ""}}, {354.2882, 14.326629, "Meta"} -> 
    {{1221578, 707839, 954517}, {"", ""}}, {1241.8809, 14.334071, "Meta"} -> 
    {{481237, 367813, 1}, {"", ""}}, {410.1968, 14.332834, "Meta"} -> 
    {{25031, 20012, 1}, {"", ""}}, {920.7121, 14.328693, "Meta"} -> 
    {{141053, 100505, 122365}, {"", ""}}, {372.3238, 14.330667, "Meta"} -> 
    {{442282, 570694, 57745}, {"13,14-dihydroxy-docosanoic acid [ C22 H44 O4, \
db=92.68, overall=46.34, Lipid ID=, KEGG ID= ]", ""}}, 
   {1180.7678, 14.332838, "Meta"} -> {{112802, 76146, 1}, {"", ""}}, 
   {1214.8828, 14.336967, "Meta"} -> {{1, 124654, 369499}, {"", ""}}, 
   {1258.907, 14.333887, "Meta"} -> {{196476, 344591, 1}, {"", ""}}, 
   {1170.852, 14.335778, "Meta"} -> {{218862, 91543, 232358}, {"", ""}}, 
   {1197.8549, 14.342236, "Meta"} -> {{423646, 371182, 352467}, {"", ""}}, 
   {1202.8094, 14.343749, "Meta"} -> {{60612, 1, 1}, {"", ""}}, 
   {1246.8376, 14.333188, "Meta"} -> {{89172, 237735, 208794}, {"", ""}}, 
   {1070.7347, 14.356584, "Meta"} -> {{35574, 36820, 27453}, {"", ""}}, 
   {587.9054, 14.341818, "Meta"} -> {{101250, 76027, 97853}, {"", ""}}, 
   {754.5154, 14.349834, "Meta"} -> {{1, 36198, 80736}, {"", ""}}, 
   {576.9138, 14.348359, "Meta"} -> {{185495, 158174, 1}, {"", ""}}, 
   {442.4017, 14.35682, "Meta"} -> {{232228, 168015, 195518}, {"", ""}}, 
   {424.3913, 14.357807, "Meta"} -> {{59136, 47878, 53256}, {"", ""}}, 
   {406.3808, 14.358058, "Meta"} -> {{49302, 40534, 43548}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=83.65, \
overall=41.82, Lipid ID=, KEGG ID= ]", ""}}, 
   {1109.8003, 14.359261, "Meta"} -> {{88006, 76381, 67295}, {"", ""}}, 
   {880.6371, 14.358142, "Meta"} -> {{22449, 22064, 1}, {"", ""}}, 
   {854.6613, 14.358676, "Meta"} -> {{46648, 35485, 32104}, {"", ""}}, 
   {802.5359, 14.362123, "Meta"} -> {{4072392, 3691877, 3149460}, {"", ""}}, 
   {390.2761, 14.363417, "Meta"} -> {{1.13*^7, 1.13*^7, 9904767}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=96.27, \
overall=48.13, Lipid ID=, KEGG ID= ]", ""}}, {166.0263, 14.363825, "Meta"} -> 
    {{63165, 62696, 57269}, {"Benzoquinoneacetic acid [ C8 H6 O4, db=86.34, \
overall=43.17, HMP ID=HMDB02334, KEGG ID= ]", ""}}, 
   {506.2177, 14.361897, "Meta"} -> {{23557, 22711, 11001}, {"", ""}}, 
   {488.2453, 14.363861, "Meta"} -> {{47563, 52618, 23199}, 
     {"(3a,5b,7a,12a)-3,7-dihydroxy-12-(sulfooxy)cholan-24-oic acid [ C24 H40 \
O8 S, db=80.09, overall=40.05, HMP ID=HMDB02600, KEGG ID= ]", ""}}, 
   {1065.7736, 14.364685, "Meta"} -> {{47182, 47963, 51107}, {"", ""}}, 
   {148.0158, 14.363888, "Meta"} -> {{471360, 525461, 467038}, {"", ""}}, 
   {435.3347, 14.36872, "Meta"} -> {{507234, 743242, 1321271}, {"", ""}}, 
   {260.1407, 14.364168, "Meta"} -> {{34310, 35112, 39070}, {"", ""}}, 
   {510.3212, 14.366528, "Meta"} -> {{230188, 187366, 133828}, 
     {"GPCho(8:0/8:0) [ C24 H49 N O8 P, db=69.20, overall=34.60, Lipid \
ID=LMGP01011251, KEGG ID= ]", ""}}, {421.319, 14.36807, "Meta"} -> 
    {{1, 135293, 127654}, {"", ""}}, {278.1517, 14.363973, "Meta"} -> 
    {{216828, 193153, 189633}, {"", ""}}, {56.0626, 14.364111, "Meta"} -> 
    {{203593, 192359, 190540}, {"", ""}}, {559.2364, 14.3670025, "Meta"} -> 
    {{60720, 59806, 32353}, {"", ""}}, {707.5107, 14.365907, "Meta"} -> 
    {{39244, 37554, 75833}, {"", ""}}, {723.5778, 14.369323, "Meta"} -> 
    {{141080, 134381, 140655}, {"", ""}}, {472.2919, 14.36994, "Meta"} -> 
    {{45226, 73894, 32368}, {"", ""}}, {612.496, 14.377229, "Meta"} -> 
    {{308409, 71510, 58458}, {"", ""}}, {693.5309, 14.366889, "Meta"} -> 
    {{131417, 121405, 107189}, {"", ""}}, {311.3178, 14.3759985, "Meta"} -> 
    {{755436, 787774, 652563}, {"", ""}}, {242.1879, 14.379251, "Meta"} -> 
    {{97728, 87575, 94014}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
db=85.66, overall=42.83, Lipid ID=, KEGG ID= ]", ""}}, 
   {206.1667, 14.376665, "Meta"} -> {{52314, 41834, 1}, {"", ""}}, 
   {260.1984, 14.38937, "Meta"} -> {{54864, 65117, 69624}, 
     {"3,11-dihydroxy myristoic acid [ C14 H28 O4, db=63.47, overall=31.73, \
Lipid ID=LMFA01050081, KEGG ID= ]", ""}}, {996.7662, 14.379554, "Meta"} -> 
    {{27215, 26312, 1}, {"", ""}}, {429.2323, 14.385517, "Meta"} -> 
    {{99708, 93438, 56244}, {"", ""}}, {2021.3699, 14.398199, "Meta"} -> 
    {{58157, 1, 66770}, {"", ""}}, {504.4169, 14.390971, "Meta"} -> 
    {{80150, 72673, 93344}, {"", ""}}, {540.4393, 14.375798, "Meta"} -> 
    {{120157, 206952, 152873}, {"", ""}}, {890.7617, 14.388518, "Meta"} -> 
    {{192071, 182948, 147504}, {"", ""}}, {298.2869, 14.3915205, "Meta"} -> 
    {{138405, 140996, 1}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
db=67.14, overall=33.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {397.2157, 14.390834, "Meta"} -> {{40734, 33233, 22142}, {"", ""}}, 
   {666.5123, 14.391109, "Meta"} -> {{97910, 154039, 109849}, {"", ""}}, 
   {400.2142, 14.393068, "Meta"} -> {{67922, 88040, 40876}, 
     {"Trp Pro Val [ C21 H28 N4 O4, db=30.15, overall=15.08 ]", ""}}, 
   {284.2715, 14.392412, "Meta"} -> {{443305, 488326, 372134}, 
     {"Stearic acid [ C18 H36 O2, db=99.03, overall=49.51, KEGG ID=, CAS \
ID=57-11-4 ]", "57-11-4"}}, {432.2395, 14.391428, "Meta"} -> 
    {{27841, 38571, 1}, {"", ""}}, {382.2398, 14.392168, "Meta"} -> 
    {{272771, 275240, 184041}, {"", ""}}, {514.3634, 14.388402, "Meta"} -> 
    {{240211, 209807, 215738}, {"", ""}}, {442.2629, 14.3930025, "Meta"} -> 
    {{81030, 117305, 79149}, {"", ""}}, {457.239, 14.3956, "Meta"} -> 
    {{27708, 29942, 1}, {"", ""}}, {408.3599, 14.406938, "Meta"} -> 
    {{20770, 21459, 19080}, {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, \
db=75.02, overall=37.51, Lipid ID=, KEGG ID= ]", ""}}, 
   {1938.2709, 14.402037, "Meta"} -> {{134744, 109168, 96829}, {"", ""}}, 
   {250.193, 14.395028, "Meta"} -> {{165559, 129190, 123468}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=73.78, overall=36.89, \
Lipid ID=, KEGG ID= ]", ""}}, {301.2979, 14.39117, "Meta"} -> 
    {{44108, 60005, 55317}, {"Dihydrosphingosine [ C18 H39 N O2, db=85.23, \
overall=42.62, KEGG ID=C00836, CAS ID=764-22-7 ]", "764-22-7"}}, 
   {522.4279, 14.397862, "Meta"} -> {{244778, 227304, 335374}, {"", ""}}, 
   {1933.3156, 14.403201, "Meta"} -> {{107186, 82837, 127974}, {"", ""}}, 
   {416.2903, 14.408222, "Meta"} -> {{363668, 27403, 55444}, 
     {"(24R,25S)-25,26-epoxy-1alpha,24-dihydroxy-27-norvitamin D3 / \
(24R,25S)-25,26-epoxy-1alpha,24-dihydro [ C26 H40 O4, db=47.47, \
overall=23.74, Lipid ID=LMST03020037, KEGG ID= ]", ""}}, 
   {566.3937, 14.392841, "Meta"} -> {{1, 120794, 1}, {"", ""}}, 
   {474.37, 14.399874, "Meta"} -> {{240842, 92444, 1}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=85.87, \
overall=42.94, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {612.4365, 14.406086, "Meta"} -> {{805849, 571167, 614801}, {"", ""}}, 
   {470.3972, 14.407165, "Meta"} -> {{57784, 60208, 57596}, {"", ""}}, 
   {1850.2188, 14.408482, "Meta"} -> {{194218, 160969, 1}, {"", ""}}, 
   {566.4545, 14.401355, "Meta"} -> {{202496, 944161, 1196600}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=61.55, overall=30.77, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {443.3973, 14.4052, "Meta"} -> 
    {{134549, 139301, 146915}, {"", ""}}, {681.1175, 14.41128, "Meta"} -> 
    {{1, 24239, 1}, {"", ""}}, {1899.2042, 14.408434, "Meta"} -> 
    {{1, 71077, 72135}, {"", ""}}, {1943.2288, 14.400298, "Meta"} -> 
    {{1, 62163, 59405}, {"", ""}}, {664.7895, 14.409922, "Meta"} -> 
    {{49656, 26774, 53615}, {"", ""}}, {448.3536, 14.37326, "Meta"} -> 
    {{254636, 112919, 111032}, {"Teasterone [ C28 H48 O4, db=51.26, \
overall=25.63, Lipid ID=LMST01030121, KEGG ID= ]", ""}}, 
   {1806.1923, 14.411065, "Meta"} -> {{218507, 184957, 1}, {"", ""}}, 
   {486.4034, 14.407399, "Meta"} -> {{30410, 1, 1}, 
     {"1alpha,25-dihydroxy-2beta-pentylvitamin D3 / \
1alpha,25-dihydroxy-2beta-pentylcholecalciferol [ C32 H54 O3, db=34.55, \
overall=17.27, Lipid ID=LMST03020520, KEGG ID= ]", ""}}, 
   {1855.1772, 14.401386, "Meta"} -> {{115873, 77220, 1}, {"", ""}}, 
   {651.7665, 14.412334, "Meta"} -> {{33999, 26174, 29177}, {"", ""}}, 
   {593.0646, 14.419587, "Meta"} -> {{27945, 23358, 29560}, {"", ""}}, 
   {370.3077, 14.410557, "Meta"} -> {{6542360, 1.64*^7, 9059474}, 
     {"Docosanedioic acid [ C22 H42 O4, db=97.13, overall=48.56, Lipid \
ID=LMFA01170037, KEGG ID= ]", ""}}, {404.3647, 14.4150305, "Meta"} -> 
    {{90152, 83703, 81131}, {"5beta-Cholestane-3alpha,7alpha-diol [ C27 H48 \
O2, db=79.14, overall=39.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {1757.2117, 14.41254, "Meta"} -> {{252078, 1, 1}, {"", ""}}, 
   {1801.2352, 14.410735, "Meta"} -> {{185242, 1, 1}, {"", ""}}, 
   {1811.1512, 14.408364, "Meta"} -> {{1, 98464, 91754}, {"", ""}}, 
   {1762.1667, 14.414145, "Meta"} -> {{294672, 210897, 1}, {"", ""}}, 
   {390.3488, 14.408688, "Meta"} -> {{88594, 95773, 83701}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=54.78, overall=27.39, \
Lipid ID=, KEGG ID= ]", ""}}, {583.4808, 14.395259, "Meta"} -> 
    {{43112, 32018, 73366}, {"", ""}}, {637.0912, 14.41594, "Meta"} -> 
    {{36206, 32163, 47015}, {"", ""}}, {511.4232, 14.415657, "Meta"} -> 
    {{111026, 137031, 132143}, {"", ""}}, {387.335, 14.411082, "Meta"} -> 
    {{796586, 1043431, 829518}, {"", ""}}, {470.097, 14.418974, "Meta"} -> 
    {{1.13*^7, 9329383, 1.01*^7}, {"", ""}}, {493.0873, 14.415969, "Meta"} -> 
    {{61195, 60989, 65681}, {"", ""}}, {1723.0979, 14.419501, "Meta"} -> 
    {{1, 118740, 107214}, {"", ""}}, {1625.133, 14.422751, "Meta"} -> 
    {{352737, 293115, 471277}, {"", ""}}, {1630.0883, 14.423135, "Meta"} -> 
    {{383016, 296465, 305126}, {"", ""}}, {1635.048, 14.425599, "Meta"} -> 
    {{212497, 136887, 130952}, {"", ""}}, {1586.0623, 14.426733, "Meta"} -> 
    {{392011, 322720, 1}, {"", ""}}, {447.2265, 14.425441, "Meta"} -> 
    {{43843, 41968, 49291}, 
     {"Ser Arg Trp [ C20 H29 N7 O5, db=50.01, overall=25.00 ]", ""}}, 
   {1581.1057, 14.426365, "Meta"} -> {{335131, 297984, 1}, {"", ""}}, 
   {404.3037, 14.428638, "Meta"} -> {{514988, 353397, 512013}, {"", ""}}, 
   {1542.0363, 14.429039, "Meta"} -> {{420478, 328031, 1}, {"", ""}}, 
   {375.3134, 14.427285, "Meta"} -> {{44795, 1, 68319}, 
     {"N-(1,1-dimethyl-2-hydroxy-ethyl) arachidonoyl amine [ C24 H41 N O2, \
db=81.75, overall=40.88, Lipid ID=LMFA08020019, KEGG ID= ]", ""}}, 
   {1591.0197, 14.430484, "Meta"} -> {{1, 124989, 126684}, {"", ""}}, 
   {361.2974, 14.432083, "Meta"} -> {{5083016, 2461082, 9225396}, 
     {"N-methyl N-(2-hydroxy-ethyl) arachidonoyl amine [ C23 H39 N O2, \
db=97.58, overall=48.79, Lipid ID=LMFA08020025, KEGG ID= ]", ""}}, 
   {344.2712, 14.433056, "Meta"} -> {{5056917, 2111523, 1419186}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=99.04, \
overall=49.52, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {1546.9941, 14.433572, "Meta"} -> {{217961, 1, 1}, {"", ""}}, 
   {1476.0247, 14.427167, "Meta"} -> {{429363, 54969, 35227}, {"", ""}}, 
   {506.4327, 14.461076, "Meta"} -> {{37468, 111508, 52077}, {"", ""}}, 
   {1502.967, 14.438209, "Meta"} -> {{202532, 138822, 1}, {"", ""}}, 
   {420.3577, 14.4446125, "Meta"} -> {{140228, 85250, 92483}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=65.27, \
overall=32.64, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {1387.9729, 14.434806, "Meta"} -> {{390038, 77572, 1}, {"", ""}}, 
   {1493.0544, 14.434714, "Meta"} -> {{335397, 294155, 1}, {"", ""}}, 
   {511.2607, 14.419092, "Meta"} -> {{1, 62819, 25926}, {"", ""}}, 
   {1449.0283, 14.43929, "Meta"} -> {{319632, 272475, 1}, {"", ""}}, 
   {380.3653, 14.448362, "Meta"} -> {{165730, 140868, 100266}, 
     {"17Z-pentacosenoic acid [ C25 H48 O2, db=96.33, overall=48.17, Lipid \
ID=, KEGG ID= ]", ""}}, {1405.001, 14.443967, "Meta"} -> 
    {{274077, 226705, 376991}, {"CL(1'-[16:0/18:1(11Z)],3'-[16:0/18:1(11Z)]) \
[ C77 H146 O17 P2, db=86.52, overall=43.26, Lipid ID=LMGP12010006, KEGG ID= \
]", ""}}, {1321.905, 14.456001, "Meta"} -> {{1, 165349, 180616}, {"", ""}}, 
   {1316.9497, 14.455285, "Meta"} -> {{1, 157431, 263976}, {"", ""}}, 
   {438.3322, 14.440999, "Meta"} -> {{23994, 27783, 516899}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=78.36, \
overall=39.18, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {1277.8792, 14.461234, "Meta"} -> {{133908, 113872, 125954}, {"", ""}}, 
   {1118.9772, 14.463029, "Meta"} -> {{105542, 73031, 58056}, {"", ""}}, 
   {636.9634, 14.461871, "Meta"} -> {{42942, 33623, 59143}, {"", ""}}, 
   {848.7128, 14.462386, "Meta"} -> {{1, 21747, 13132}, {"", ""}}, 
   {1238.8083, 14.467372, "Meta"} -> {{64048, 42083, 46149}, {"", ""}}, 
   {270.2551, 14.466167, "Meta"} -> {{1.85*^7, 1.02*^7, 1.81*^7}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=94.77, overall=47.38, \
Lipid ID=, KEGG ID= ]", ""}}, {287.2824, 14.466778, "Meta"} -> 
    {{1661885, 1009930, 2251713}, {"C17 Sphinganine [ C17 H37 N O2, db=99.39, \
overall=49.69, Lipid ID=LMSP01040003, KEGG ID= ]", ""}}, 
   {400.334, 14.474161, "Meta"} -> {{430590, 339316, 315999}, 
     {"(5E)-1alpha-hydroxy-3-epivitamin D_3 / \
(5E)-1alpha-hydroxy-3-epicholecalciferol [ C27 H44 O2, db=88.78, \
overall=44.39, Lipid ID=LMST03020234, KEGG ID= ]", ""}}, 
   {1194.7839, 14.473861, "Meta"} -> {{26352, 15517, 17126}, {"", ""}}, 
   {1168.9875, 14.479252, "Meta"} -> {{23335, 1, 18243}, {"", ""}}, 
   {330.2883, 14.466946, "Meta"} -> {{293304, 228744, 235517}, {"", ""}}, 
   {320.2708, 14.478832, "Meta"} -> {{2054199, 4064564, 1.31*^7}, 
     {"3a,20b-Pregnanediol [ C21 H36 O2, db=92.32, overall=46.16, HMP \
ID=HMDB02156, KEGG ID= ]", ""}}, {684.1372, 14.495041, "Meta"} -> 
    {{41693, 37288, 43833}, {"", ""}}, {418.2392, 14.489999, "Meta"} -> 
    {{1, 13361, 18111}, 
     {"Met Arg Leu [ C17 H34 N6 O4 S, db=55.58, overall=27.79 ]", ""}}, 
   {337.2972, 14.478779, "Meta"} -> {{7493052, 3308124, 1.33*^7}, {"", ""}}, 
   {948.7409, 14.486519, "Meta"} -> {{73975, 59199, 98860}, {"", ""}}, 
   {288.2448, 14.4851265, "Meta"} -> {{78345, 41687, 101712}, 
     {"8-[5]-ladderane-1-octanol [ C20 H32 O, db=62.66, overall=31.33, Lipid \
ID=, KEGG ID= ]", ""}}, {380.3036, 14.478943, "Meta"} -> 
    {{541557, 346462, 597258}, {"", ""}}, {351.3139, 14.491401, "Meta"} -> 
    {{57775, 40422, 98288}, {"Anandamide (20:2, n-6) [ C22 H41 N O2, \
db=69.92, overall=34.96, Lipid ID=LMFA08040002, KEGG ID= ]", ""}}, 
   {1124.8135, 14.482899, "Meta"} -> {{33921, 50119, 1}, {"", ""}}, 
   {654.7867, 14.500103, "Meta"} -> {{46139, 36287, 51974}, {"", ""}}, 
   {671.1134, 14.4969425, "Meta"} -> {{49404, 42768, 47610}, {"", ""}}, 
   {645.3889, 14.488171, "Meta"} -> {{80235, 75512, 1}, {"", ""}}, 
   {426.2745, 14.497218, "Meta"} -> {{1, 80136, 87739}, 
     {"(23S)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone [ C27 H38 \
O4, db=63.52, overall=31.76, Lipid ID=LMST03020599, KEGG ID= ]", ""}}, 
   {685.7893, 14.4935665, "Meta"} -> {{25957, 45115, 39860}, {"", ""}}, 
   {1947.3323, 14.498856, "Meta"} -> {{94421, 1, 84832}, {"", ""}}, 
   {1996.3118, 14.491321, "Meta"} -> {{1, 76685, 79611}, {"", ""}}, 
   {641.7627, 14.502058, "Meta"} -> {{44617, 34119, 41189}, {"", ""}}, 
   {636.4919, 14.474574, "Meta"} -> {{314469, 265283, 251125}, {"", ""}}, 
   {2040.3385, 14.493648, "Meta"} -> {{55838, 52979, 1}, {"", ""}}, 
   {627.0879, 14.50506, "Meta"} -> {{39583, 31541, 39672}, {"", ""}}, 
   {1991.3583, 14.495925, "Meta"} -> {{1, 77286, 89688}, {"", ""}}, 
   {494.3971, 14.493335, "Meta"} -> {{249770, 1, 170790}, {"", ""}}, 
   {592.4704, 14.502999, "Meta"} -> {{1141953, 3917333, 3202508}, {"", ""}}, 
   {919.681, 14.505394, "Meta"} -> {{34996, 36792, 13952}, {"", ""}}, 
   {807.8639, 14.509769, "Meta"} -> {{30848, 1, 1}, {"", ""}}, 
   {1903.3048, 14.502486, "Meta"} -> {{113013, 94627, 97286}, {"", ""}}, 
   {793.1883, 14.512266, "Meta"} -> {{19744, 1, 23687}, {"", ""}}, 
   {1952.2863, 14.502277, "Meta"} -> {{96056, 1, 83245}, {"", ""}}, 
   {1869.194, 14.502086, "Meta"} -> {{66728, 61626, 1}, {"", ""}}, 
   {1908.2607, 14.504808, "Meta"} -> {{126298, 114612, 102433}, {"", ""}}, 
   {1820.2089, 14.511034, "Meta"} -> {{1, 140676, 1}, {"", ""}}, 
   {963.707, 14.513001, "Meta"} -> {{1, 29081, 16445}, {"", ""}}, 
   {1781.1418, 14.511568, "Meta"} -> {{93507, 84761, 1}, {"", ""}}, 
   {1776.1823, 14.514804, "Meta"} -> {{1, 169327, 1}, {"", ""}}, 
   {386.3397, 14.511031, "Meta"} -> {{715654, 1366665, 569313}, 
     {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=96.95, overall=48.47, KEGG \
ID=, CAS ID= ]", ""}}, {1815.2509, 14.512214, "Meta"} -> 
    {{161925, 129719, 175377}, {"", ""}}, {252.2088, 14.522425, "Meta"} -> 
    {{43314, 28820, 32642}, {"2E,4E-hexadecadienoic acid [ C16 H28 O2, \
db=60.20, overall=30.10, Lipid ID=, KEGG ID= ]", ""}}, 
   {1771.2264, 14.515609, "Meta"} -> {{1, 155795, 193780}, {"", ""}}, 
   {294.2194, 14.478001, "Meta"} -> {{31360, 52155, 55471}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=80.00, overall=40.00, \
Lipid ID=, KEGG ID= ]", ""}}, {546.4281, 14.479806, "Meta"} -> 
    {{79412, 35790, 110172}, {"", ""}}, {749.1626, 14.516725, "Meta"} -> 
    {{38051, 1, 27834}, {"", ""}}, {596.4413, 14.516907, "Meta"} -> 
    {{198280, 204443, 1}, {"", ""}}, {278.2243, 14.527305, "Meta"} -> 
    {{295320, 290399, 305945}, {"beta-eleostearic acid [ C18 H30 O2, \
db=62.70, overall=31.35, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {763.8373, 14.514566, "Meta"} -> {{39099, 18163, 29022}, {"", ""}}, 
   {276.2084, 14.51291, "Meta"} -> {{44421, 41237, 42258}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=79.59, overall=39.79, Lipid \
ID=, KEGG ID= ]", ""}}, {1222.882, 14.507078, "Meta"} -> 
    {{61210, 37394, 42672}, {"", ""}}, {1693.0908, 14.519001, "Meta"} -> 
    {{119109, 76541, 80917}, {"", ""}}, {1683.1736, 14.522961, "Meta"} -> 
    {{225785, 185956, 278231}, {"", ""}}, {576.4755, 14.530964, "Meta"} -> 
    {{1, 1010749, 1}, {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-gl\
ycerol [ C36 H64 O5, db=81.99, overall=40.99, KEGG ID=, CAS ID= ]", ""}}, 
   {1112.8135, 14.532041, "Meta"} -> {{55680, 56083, 1}, {"", ""}}, 
   {1551.0957, 14.537624, "Meta"} -> {{1, 1, 232886}, {"", ""}}, 
   {1507.0687, 14.543251, "Meta"} -> {{196025, 159216, 210821}, {"", ""}}, 
   {1463.0459, 14.548631, "Meta"} -> {{1, 132661, 206079}, {"", ""}}, 
   {412.2124, 14.560958, "Meta"} -> {{18598, 1, 1}, {"", ""}}, 
   {264.2448, 14.558638, "Meta"} -> {{107438, 52111, 161324}, 
     {"9,12-octadecadienal [ C18 H32 O, db=90.59, overall=45.30, Lipid ID=, \
KEGG ID= ]", ""}}, {296.2707, 14.557776, "Meta"} -> 
    {{9263820, 5313902, 1.55*^7}, {"10-methylene-octadecanoic acid [ C19 H36 \
O2, db=84.40, overall=42.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {394.2399, 14.56191, "Meta"} -> {{58562, 49890, 73660}, {"", ""}}, 
   {356.3036, 14.558113, "Meta"} -> {{240853, 255386, 397883}, {"", ""}}, 
   {313.2974, 14.558834, "Meta"} -> {{3265096, 2251266, 6222363}, 
     {"N-(2-hydroxyethyl)heptadecanamide [ C19 H39 N O2, db=99.60, \
overall=49.80, KEGG ID=, CAS ID= ]", ""}}, {327.3145, 14.5584135, "Meta"} -> 
    {{16603, 18593, 37594}, {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, \
db=63.74, overall=31.87, KEGG ID=, CAS ID= ]", ""}}, 
   {496.4124, 14.55775, "Meta"} -> {{1, 29919, 84511}, {"", ""}}, 
   {1330.9644, 14.569345, "Meta"} -> {{70632, 53454, 1}, {"", ""}}, 
   {1224.9006, 14.558654, "Meta"} -> {{94720, 99365, 91715}, {"", ""}}, 
   {719.8112, 14.559839, "Meta"} -> {{1, 12333, 30789}, {"", ""}}, 
   {323.3189, 14.573417, "Meta"} -> {{679525, 446509, 503916}, {"", ""}}, 
   {2054.3523, 14.574896, "Meta"} -> {{1, 39651, 62315}, {"", ""}}, 
   {563.4318, 14.564408, "Meta"} -> {{1065231, 562666, 1477987}, {"", ""}}, 
   {827.2118, 14.585125, "Meta"} -> {{26064, 1, 32587}, {"", ""}}, 
   {387.3137, 14.578861, "Meta"} -> {{65580, 65531, 219744}, {"", ""}}, 
   {1128.8441, 14.582754, "Meta"} -> {{30306, 40285, 40376}, {"", ""}}, 
   {180.1507, 14.5836115, "Meta"} -> {{28799, 31603, 1}, 
     {"3,6,8-dodecatrien-1-ol [ C12 H20 O, db=70.80, overall=35.40, Lipid \
ID=, KEGG ID= ]", ""}}, {435.3027, 14.588826, "Meta"} -> 
    {{180146, 136192, 80068}, {"", ""}}, {394.3806, 14.587612, "Meta"} -> 
    {{70049, 111940, 75893}, {"Ximenic acid [ C26 H50 O2, db=85.28, \
overall=42.64, Lipid ID=LMFA01030095, KEGG ID= ]", ""}}, 
   {337.3338, 14.585556, "Meta"} -> {{2.16*^7, 1.54*^7, 1.54*^7}, {"", ""}}, 
   {198.1615, 14.583165, "Meta"} -> {{111053, 145569, 139713}, 
     {"9-lauroleic acid [ C12 H22 O2, db=95.30, overall=47.65, Lipid \
ID=LMFA01030041, KEGG ID= ]", ""}}, {457.3779, 14.587459, "Meta"} -> 
    {{94829, 115018, 89847}, {"", ""}}, {397.3668, 14.5889435, "Meta"} -> 
    {{1061811, 1427440, 683451}, {"", ""}}, {518.3949, 14.583486, "Meta"} -> 
    {{250546, 395242, 335550}, {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)\
vitamin D3 / 1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, \
db=54.02, overall=27.01, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {382.3923, 14.588941, "Meta"} -> {{316800, 369930, 306321}, {"", ""}}, 
   {618.6064, 14.58071, "Meta"} -> {{106852, 76543, 97306}, {"", ""}}, 
   {2010.329, 14.5813465, "Meta"} -> {{1, 1, 58107}, {"", ""}}, 
   {749.5934, 14.587584, "Meta"} -> {{88579, 108151, 113195}, {"", ""}}, 
   {434.3736, 14.585371, "Meta"} -> {{44960, 79990, 73308}, 
     {"6-deoxoteasterone [ C28 H50 O3, db=57.43, overall=28.72, Lipid \
ID=LMST01030120, KEGG ID= ]", ""}}, {368.3762, 14.587169, "Meta"} -> 
    {{78845, 85251, 91543}, {"", ""}}, {675.7857, 14.585401, "Meta"} -> 
    {{1, 30456, 29958}, {"", ""}}, {570.4849, 14.596359, "Meta"} -> 
    {{41624, 70844, 51495}, {"Dihydrospheroidene/ Methoxyneurosporene [ C41 \
H62 O, db=48.91, overall=24.45, Lipid ID=LMPR01070149, KEGG ID= ]", ""}}, 
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     {"5beta-Cholestane-3alpha,7alpha-diol [ C27 H48 O2, db=61.38, \
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O3, db=85.11, overall=42.55, KEGG ID=, CAS ID=230976-85-9 ]", 
      "230976-85-9"}}, {504.4172, 14.684583, "Meta"} -> 
    {{1, 1, 74014}, {"", ""}}, {572.4439, 14.696446, "Meta"} -> 
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    {{1, 47235, 23213}, {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, \
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    {{1, 1, 1}, {"", ""}}, {316.2608, 14.722626, "Meta"} -> 
    {{611706, 618379, 1}, {"7,8-dihydroxy stearic acid [ C18 H36 O4, \
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   {618.4829, 14.717896, "Meta"} -> {{7102802, 1.27*^7, 6612736}, {"", ""}}, 
   {464.3117, 14.712481, "Meta"} -> {{1, 12570, 21350}, 
     {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic \
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   {627.543, 14.723062, "Meta"} -> {{39527, 63886, 37269}, {"", ""}}, 
   {298.2502, 14.720165, "Meta"} -> {{3059961, 2438248, 2620174}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=96.33, overall=48.16, \
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    {{304079, 216122, 805054}, {"24-Nor-5beta-cholane-3alpha,7alpha,23-triol \
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   {787.8574, 14.717876, "Meta"} -> {{1, 25173, 26321}, {"", ""}}, 
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    {{2181423, 3134240, 1894878}, {"13E,17-octadecadienoic acid [ C18 H32 O2, \
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   {1230.9482, 14.721404, "Meta"} -> {{159629, 175761, 201805}, {"", ""}}, 
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   {660.5212, 14.728284, "Meta"} -> {{1549908, 1519223, 1557557}, {"", ""}}, 
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     {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, db=66.95, overall=33.47, \
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    {{64100, 41266, 181014}, {"trans-gondoic acid [ C20 H38 O2, db=60.53, \
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   {389.3293, 14.748772, "Meta"} -> {{342616, 154503, 488777}, 
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     {"1alpha-hydroxy-24-methylvitamin D2 / \
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    {{2523786, 4770639, 1.04*^7}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
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   {861.6182, 14.853371, "Meta"} -> {{313708, 264180, 285135}, 
     {"Galabiosylceramide (d18:1/16:0) [ C46 H87 N O13, db=96.56, \
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   {339.3499, 14.845642, "Meta"} -> {{182741, 156628, 49235}, 
     {"Docosanamide [ C22 H45 N O, db=95.67, overall=47.83, HMP ID=HMDB00583, \
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    {{1, 1, 139060}, {"", ""}}, {656.5257, 14.851055, "Meta"} -> 
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    {{78475, 36403, 42629}, {"", ""}}, {324.3027, 14.878835, "Meta"} -> 
    {{39896, 62265, 97659}, {"2-propyl-9Z-octadecenoic Acid [ C21 H40 O2, \
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     {"TG(17:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] [ C60 H98 \
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   {428.3655, 14.930514, "Meta"} -> {{1779337, 1362585, 1496330}, 
     {"25-hydroxy-26,27-dimethylvitamin D3 / \
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   {468.3579, 14.935543, "Meta"} -> {{608676, 629601, 623695}, 
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     {"", ""}}, {747.6484, 14.962824, "Meta"} -> {{1, 36405, 24473}, 
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     {"", ""}}, {688.5515, 14.964059, "Meta"} -> 
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   {726.4995, 14.96664, "Meta"} -> {{366283, 1, 1}, {"", ""}}, 
   {509.4806, 14.9780655, "Meta"} -> {{79281, 44667, 54889}, 
     {"Cer(d18:1/14:0) [ C32 H63 N O3, db=92.56, overall=46.28, Lipid \
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    {{69964, 78512, 57880}, {"", ""}}, {430.3446, 14.98436, "Meta"} -> 
    {{599154, 535286, 599356}, {"2beta-methyl-1alpha,25-dihydroxyvitamin D_3 \
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   {500.3479, 14.986893, "Meta"} -> {{39246, 43516, 57033}, {"", ""}}, 
   {415.3571, 14.983973, "Meta"} -> {{1279581, 1100955, 977725}, {"", ""}}, 
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   {415.3084, 14.981182, "Meta"} -> {{94113, 72466, 75347}, {"", ""}}, 
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    {{3.73*^7, 3.18*^7, 3.02*^7}, {"", ""}}, {771.6146, 15.732927, "Meta"} -> 
    {{1, 2222601, 3036465}, {"", ""}}, {901.5499, 15.709517, "Meta"} -> 
    {{479657, 464710, 341901}, {"", ""}}, {885.5777, 15.722668, "Meta"} -> 
    {{164803, 338643, 1}, {"", ""}}, {838.69, 15.756972, "Meta"} -> 
    {{214332, 146485, 203904}, {"", ""}}, {826.6931, 15.772778, "Meta"} -> 
    {{1840052, 1870070, 2138114}, {"", ""}}, {578.5272, 15.79175, "Meta"} -> 
    {{476858, 1072450, 299166}, {"", ""}}, {646.4517, 15.798346, "Meta"} -> 
    {{26122, 31204, 41789}, {"GPA(14:0/18:1(9Z)) [ C35 H67 O8 P, db=53.75, \
overall=26.87, Lipid ID=LMGP10010019, KEGG ID= ]", ""}}, 
   {629.6106, 15.80247, "Meta"} -> {{97459, 94081, 107363}, {"", ""}}, 
   {647.6218, 15.803638, "Meta"} -> {{553121, 374764, 670870}, 
     {"Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, db=94.85, overall=47.43, \
HMP ID=HMDB04953, KEGG ID= ]", ""}}, {618.52, 15.807126, "Meta"} -> 
    {{759935, 1, 551676}, {"1-octadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn\
-glycerol [ C39 H70 O5, db=91.14, overall=45.57, KEGG ID=, CAS ID= ]", ""}}, 
   {800.6776, 15.794722, "Meta"} -> {{2431223, 2072371, 2517863}, {"", ""}}, 
   {613.5643, 15.813304, "Meta"} -> {{649742, 1420545, 474597}, {"", ""}}, 
   {720.5875, 15.822541, "Meta"} -> {{20931, 198169, 72027}, 
     {"GPCho(O-16:0/16:0) [ C40 H83 N O7 P, db=74.12, overall=37.06, Lipid \
ID=LMGP01020029, KEGG ID= ]", ""}}, {863.6402, 15.794833, "Meta"} -> 
    {{558503, 539506, 365427}, {"", ""}}, {661.637, 15.824202, "Meta"} -> 
    {{42282, 68615, 84346}, {"", ""}}, {813.6251, 15.798603, "Meta"} -> 
    {{6705686, 5432617, 4732206}, {"", ""}}, {847.6456, 15.813998, "Meta"} -> 
    {{4470214, 3740626, 3367365}, {"", ""}}, {551.4249, 15.827079, "Meta"} -> 
    {{20723, 17430, 17856}, {"", ""}}, {797.6297, 15.801678, "Meta"} -> 
    {{4242899, 3665429, 3557490}, {"", ""}}, {661.4929, 15.831914, "Meta"} -> 
    {{59141, 46631, 56965}, {"", ""}}, {605.6104, 15.850416, "Meta"} -> 
    {{219656, 155918, 262367}, {"", ""}}, {834.2323, 15.869839, "Meta"} -> 
    {{37634, 1, 1}, {"", ""}}, {831.2332, 15.870869, "Meta"} -> 
    {{92789, 1, 126825}, {"", ""}}, {627.5816, 15.898941, "Meta"} -> 
    {{70288, 232254, 47974}, {"", ""}}, {631.6267, 15.875499, "Meta"} -> 
    {{228746, 246469, 288074}, {"", ""}}, {592.5431, 15.88767, "Meta"} -> 
    {{62918, 141360, 39010}, {"", ""}}, {801.6253, 15.848322, "Meta"} -> 
    {{613884, 637483, 543932}, {"GPEtn(22:1(13Z)/18:0)[U] [ C45 H88 N O8 P, \
db=86.54, overall=43.27, Lipid ID=LMGP02010033, KEGG ID= ]", ""}}, 
   {632.5355, 15.902878, "Meta"} -> {{98179, 191295, 73182}, 
     {"1-(9Z-heptadecenoyl)-2-(11Z,14Z-eicosadienoyl)-sn-glycerol [ C40 H72 \
O5, db=87.97, overall=43.98, KEGG ID=, CAS ID= ]", ""}}, 
   {839.6394, 15.8606, "Meta"} -> {{623212, 782824, 1}, {"", ""}}, 
   {814.6932, 15.912194, "Meta"} -> {{4603808, 4255805, 4649855}, {"", ""}}, 
   {852.6397, 15.911029, "Meta"} -> {{163614, 119399, 141928}, {"", ""}}, 
   {773.63, 15.906822, "Meta"} -> {{2710761, 1882296, 2071428}, {"", ""}}, 
   {823.6456, 15.917723, "Meta"} -> {{8134178, 6420332, 7398643}, {"", ""}}, 
   {649.6372, 15.946309, "Meta"} -> {{405637, 287135, 395642}, 
     {"N-Lignoceroylsphingosine [ C42 H83 N O3, db=98.89, overall=49.44, HMP \
ID=HMDB00831, KEGG ID= ]", ""}}, {861.593, 15.911041, "Meta"} -> 
    {{136880, 106713, 107804}, {"", ""}}, {849.6617, 15.960544, "Meta"} -> 
    {{1.03*^7, 9918397, 8621841}, {"", ""}}, {606.5589, 16.002474, "Meta"} -> 
    {{1132866, 2744140, 615367}, {"", ""}}, {887.608, 15.950258, "Meta"} -> 
    {{162386, 131228, 163723}, {"", ""}}, {646.5512, 16.021963, "Meta"} -> 
    {{1, 1, 1352006}, {"1-(9Z-octadecenoyl)-2-(11Z,14Z-eicosadienoyl)-sn-glyc\
erol [ C41 H74 O5, db=90.48, overall=45.24, KEGG ID=, CAS ID= ]", ""}}, 
   {669.6274, 16.021229, "Meta"} -> {{258676, 704258, 160954}, {"", ""}}, 
   {663.653, 16.021738, "Meta"} -> {{80305, 66914, 76054}, 
     {"Ceramide (d18:1/25:0) [ C43 H85 N O3, db=93.46, overall=46.73, HMP \
ID=HMDB04957, KEGG ID= ]", ""}}, {580.3012, 15.999072, "Meta"} -> 
    {{1, 1, 139201}, {"", ""}}, {641.5965, 16.03561, "Meta"} -> 
    {{1589468, 3755405, 1036034}, {"", ""}}, {633.6424, 16.0732, "Meta"} -> 
    {{316920, 321528, 486519}, {"", ""}}, {875.6776, 16.05178, "Meta"} -> 
    {{7455615, 7106306, 5559790}, {"", ""}}, {877.6932, 16.229668, "Meta"} -> 
    {{1.56*^7, 1.22*^7, 1.07*^7}, {"", ""}}, {903.7076, 16.322107, "Meta"} -> 
    {{2555694, 2035647, 1938790}, {"", ""}}, 
   {958.9559, 0.36646155, "Meta"} -> {{31479, 34213, 29507}, {"", ""}}, 
   {2422.0625, 0.37100002, "Meta"} -> {{1, 27944, 25753}, {"", ""}}, 
   {1742.01, 0.37975758, "Meta"} -> {{40470, 38160, 41172}, {"", ""}}, 
   {1578.0028, 0.38074994, "Meta"} -> {{1, 44825, 44898}, {"", ""}}, 
   {1988.023, 0.37995836, "Meta"} -> {{1, 25302, 25312}, {"", ""}}, 
   {1824.0161, 0.38057694, "Meta"} -> {{1, 34555, 36488}, {"", ""}}, 
   {547.9159, 0.39203572, "Meta"} -> {{122628, 133036, 141968}, {"", ""}}, 
   {721.7918, 0.40096295, "Meta"} -> {{1, 59891, 63746}, {"", ""}}, 
   {557.7853, 0.40799993, "Meta"} -> {{156014, 155521, 148223}, {"", ""}}, 
   {791.6165, 0.41215378, "Meta"} -> {{1, 41855, 16685}, {"", ""}}, 
   {633.7165, 0.41170967, "Meta"} -> {{21289, 38090, 20951}, {"", ""}}, 
   {252.1202, 0.45106667, "Meta"} -> {{71087, 73030, 56910}, 
     {"Pro His [ C11 H16 N4 O3, db=76.47, overall=38.23 ]", ""}}, 
   {246.1942, 0.46209374, "Meta"} -> {{26589, 22066, 24654}, {"", ""}}, 
   {278.1842, 0.46203128, "Meta"} -> {{79122, 73604, 90220}, {"", ""}}, 
   {304.1997, 0.46772003, "Meta"} -> {{1, 1, 12384}, {"", ""}}, 
   {218.1628, 0.46839395, "Meta"} -> {{45909, 43958, 1}, {"", ""}}, 
   {274.1643, 0.46503848, "Meta"} -> {{38140, 12131, 34108}, 
     {"Ala Gly Lys [ C11 H22 N4 O4, db=47.47, overall=23.74 ]", ""}}, 
   {380.0201, 0.5091111, "Meta"} -> {{310409, 262141, 1}, {"", ""}}, 
   {352.0515, 0.53367996, "Meta"} -> {{58393, 41412, 1}, {"", ""}}, 
   {135.068, 0.55345714, "Meta"} -> {{194112, 188708, 203418}, 
     {"2-Phenylacetamide [ C8 H9 N O, db=85.97, overall=42.98, KEGG \
ID=C02505, CAS ID=103-81-1 ]", "103-81-1"}}, {281.1835, 0.605074, "Meta"} -> 
    {{1, 135855, 50963}, {"", ""}}, {115.0629, 0.69411117, "Meta"} -> 
    {{1, 134304, 138645}, {"Proline [ C5 H9 N O2, db=79.13, overall=39.57, \
KEGG ID=C00148, CAS ID=147-85-3 ]", "147-85-3"}}, 
   {131.0587, 0.6995, "Meta"} -> {{43041, 189769, 40102}, 
     {"Trans-4-Hydroxy-L-proline [ C5 H9 N O3, db=60.12, overall=30.06, KEGG \
ID=, CAS ID=51-35-4 ]", "51-35-4"}}, {526.0667, 0.66112, "Meta"} -> 
    {{26221, 1, 21686}, {"", ""}}, {380.0206, 0.6642414, "Meta"} -> 
    {{17741, 32152, 30396}, {"", ""}}, {306.0645, 0.74877775, "Meta"} -> 
    {{63009, 72219, 66027}, {"", ""}}, {382.1085, 0.74347997, "Meta"} -> 
    {{68157, 41642, 33608}, {"", ""}}, {345.1429, 0.8536799, "Meta"} -> 
    {{1, 1, 48064}, {"", ""}}, {138.0291, 0.95441395, "Meta"} -> 
    {{50617, 71789, 63024}, {"", ""}}, {172.0702, 0.99353826, "Meta"} -> 
    {{2.45*^7, 2.17*^7, 2.25*^7}, {"", ""}}, {167.1155, 1.0165, "Meta"} -> 
    {{475986, 499234, 583110}, {"", ""}}, {374.102, 1.0232002, "Meta"} -> 
    {{74807, 1, 1}, {"", ""}}, {143.0731, 1.2776923, "Meta"} -> 
    {{1, 1, 398446}, {"", ""}}, {145.0524, 1.2775834, "Meta"} -> 
    {{759752, 1, 627517}, {"Isoquinoline N-oxide [ C9 H7 N O, db=90.43, \
overall=45.21, KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, 
   {219.1104, 1.44356, "Meta"} -> {{29109, 45582, 36144}, 
     {"Pantothenic Acid [ C9 H17 N O5, db=54.47, overall=27.23, KEGG ID=, CAS \
ID=137-08-6 ]", "137-08-6"}}, {309.1688, 3.743654, "Meta"} -> 
    {{52452, 61792, 83697}, 
     {"Pro Pro Pro [ C15 H23 N3 O4, db=83.74, overall=41.87 ]", ""}}, 
   {579.254, 6.318081, "Meta"} -> {{52484, 53442, 39741}, 
     {"2-[[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-Ethane\
sulfonic acid [ C26 H45 N O9 S2, db=83.71, overall=41.85, HMP ID=HMDB02449, \
KEGG ID= ]", ""}}, {419.4932, 6.474, "Meta"} -> {{31259, 27837, 18806}, 
     {"", ""}}, {723.3073, 6.4805007, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {420.8636, 6.645, "Meta"} -> {{72382, 65583, 55439}, {"", ""}}, 
   {414.1035, 7.120406, "Meta"} -> {{22977, 22318, 29245}, {"", ""}}, 
   {1517.675, 7.538903, "Meta"} -> {{52579, 58812, 47324}, {"", ""}}, 
   {1106.4865, 7.75332, "Meta"} -> {{156886, 160412, 172455}, {"", ""}}, 
   {427.849, 7.8510604, "Meta"} -> {{91343, 65284, 78775}, {"", ""}}, 
   {239.9882, 8.1396, "Meta"} -> {{1, 1, 163153}, {"", ""}}, 
   {313.2252, 8.670879, "Meta"} -> {{38983, 31654, 26782}, {"", ""}}, 
   {465.1866, 8.675655, "Meta"} -> {{70354, 67224, 55805}, 
     {"Biotripyrrin-b [ C25 H27 N3 O6, db=43.66, overall=21.83, HMP \
ID=HMDB03324, KEGG ID= ]", ""}}, {602.3041, 9.497844, "Meta"} -> 
    {{16594, 19547, 24254}, {"", ""}}, {559.2988, 9.497002, "Meta"} -> 
    {{19877, 19033, 23377}, {"", ""}}, {263.127, 9.515958, "Meta"} -> 
    {{43891, 33000, 32312}, {"", ""}}, {420.2259, 9.685075, "Meta"} -> 
    {{39638, 29272, 27719}, 
     {"His His Lys [ C18 H28 N8 O4, db=54.50, overall=27.25 ]", ""}}, 
   {240.1338, 9.749299, "Meta"} -> {{48515, 34651, 55586}, {"", ""}}, 
   {176.0454, 9.963879, "Meta"} -> {{1, 37445, 1}, {"", ""}}, 
   {533.1125, 10.0555, "Meta"} -> {{60639, 43357, 41950}, 
     {"Indomethacin glucuronide [ C25 H24 Cl N O10, db=40.58, overall=20.29, \
KEGG ID=, CAS ID=75523-11-4 ]", "75523-11-4"}}, 
   {593.1437, 10.055286, "Meta"} -> {{67502, 39869, 45856}, {"", ""}}, 
   {536.1192, 10.055125, "Meta"} -> {{28340, 19975, 16358}, {"", ""}}, 
   {335.1544, 10.10977, "Meta"} -> {{23620, 28047, 1}, 
     {"Cys Leu Thr [ C13 H25 N3 O5 S, db=37.55, overall=18.77 ]", ""}}, 
   {630.2684, 10.324069, "Meta"} -> {{34808, 41282, 34955}, {"", ""}}, 
   {219.129, 10.36744, "Meta"} -> {{182232, 55781, 64002}, {"", ""}}, 
   {250.1198, 10.418655, "Meta"} -> {{27728, 31136, 1}, 
     {"Ubiquinone [ C14 H18 O4, db=60.72, overall=30.36, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {302.184, 10.730654, "Meta"} -> {{1, 1, 34202}, {"", ""}}, 
   {323.228, 10.9723625, "Meta"} -> {{436073, 260299, 494175}, {"", ""}}, 
   {171.162, 11.016933, "Meta"} -> {{33229, 20416, 17175}, {"", ""}}, 
   {564.3483, 11.143167, "Meta"} -> {{1, 43079, 42853}, {"", ""}}, 
   {273.0832, 11.159881, "Meta"} -> {{1, 18810, 53519}, {"", ""}}, 
   {503.2805, 11.289723, "Meta"} -> {{16189, 26003, 21506}, {"", ""}}, 
   {396.1934, 11.289607, "Meta"} -> {{30446, 41131, 37656}, 
     {"Pregnenolone sulfate [ C21 H32 O5 S, db=58.26, overall=29.13, HMP \
ID=HMDB00774, KEGG ID= ]", ""}}, {475.2532, 11.290502, "Meta"} -> 
    {{43376, 65159, 62263}, {"", ""}}, {632.2486, 11.370108, "Meta"} -> 
    {{1, 1, 134092}, {"", ""}}, {580.226, 11.39536, "Meta"} -> 
    {{12314, 10834, 10182}, {"", ""}}, {456.167, 11.397059, "Meta"} -> 
    {{28556, 27585, 25314}, {"", ""}}, {395.3032, 11.612541, "Meta"} -> 
    {{31007, 38000, 1}, {"", ""}}, {360.3347, 11.940929, "Meta"} -> 
    {{17885, 17370, 21124}, {"", ""}}, {171.1081, 11.943874, "Meta"} -> 
    {{419376, 438538, 545329}, {"", ""}}, {396.2831, 12.028556, "Meta"} -> 
    {{115505, 54102, 24041}, {"", ""}}, {313.2616, 12.047375, "Meta"} -> 
    {{244920, 319780, 290922}, {"", ""}}, {842.5207, 12.128361, "Meta"} -> 
    {{1, 1, 31001}, {"Spiramycin 1 [ C43 H74 N2 O14, db=60.72, overall=30.36, \
KEGG ID=C01754, CAS ID=24916-50-5 ]", "24916-50-5"}}, 
   {604.1137, 12.167592, "Meta"} -> {{17545, 1, 1}, {"", ""}}, 
   {381.9989, 12.185469, "Meta"} -> {{30833, 23411, 25029}, {"", ""}}, 
   {572.2186, 12.2466, "Meta"} -> {{1, 15612, 1}, {"", ""}}, 
   {396.1641, 12.277833, "Meta"} -> {{37148, 34882, 33961}, 
     {"Asn Tyr Thr [ C17 H24 N4 O7, db=61.81, overall=30.90 ]", ""}}, 
   {254.0726, 12.292558, "Meta"} -> {{66866, 30425, 39849}, 
     {"Acetaminophen-cysteine [ C11 H14 N2 O3 S, db=76.73, overall=38.36, \
KEGG ID=, CAS ID=64014-06-8 ]", "64014-06-8"}}, 
   {322.1171, 12.32875, "Meta"} -> {{35209, 1, 23892}, {"", ""}}, 
   {614.4236, 12.339584, "Meta"} -> {{100154, 1, 80814}, {"", ""}}, 
   {323.2098, 12.388596, "Meta"} -> {{53898, 63930, 79320}, 
     {"Betaxolol(hydroxylation) [ C18 H29 N O4, db=71.49, overall=35.74, KEGG \
ID=, CAS ID=87549-35-7 ]", "87549-35-7"}}, {618.251, 12.430832, "Meta"} -> 
    {{40440, 39171, 43971}, {"", ""}}, {438.3565, 12.462166, "Meta"} -> 
    {{39286, 31616, 34324}, {"", ""}}, {724.4581, 12.46508, "Meta"} -> 
    {{48482, 39634, 42677}, {"", ""}}, {336.228, 12.510321, "Meta"} -> 
    {{108170, 82059, 96175}, {"15-epi-PGA1 [ C20 H32 O4, db=70.01, \
overall=35.01, Lipid ID=LMFA03010047, KEGG ID= ]", ""}}, 
   {431.3032, 12.516041, "Meta"} -> {{380133, 1, 346630}, {"", ""}}, 
   {339.2776, 12.558571, "Meta"} -> {{69363, 64215, 62226}, {"", ""}}, 
   {359.2849, 12.620791, "Meta"} -> {{252829, 100217, 123376}, {"", ""}}, 
   {1120.5815, 12.721594, "Meta"} -> {{1, 127816, 130014}, {"", ""}}, 
   {360.0762, 12.647442, "Meta"} -> {{25214, 1, 1}, {"", ""}}, 
   {870.5521, 12.68296, "Meta"} -> {{51413, 38508, 32022}, {"", ""}}, 
   {594.374, 12.7149315, "Meta"} -> {{1, 46199, 63378}, 
     {"7,8-Didehydroastaxanthin [ C40 H50 O4, db=74.93, overall=37.46, Lipid \
ID=LMPR01070051, KEGG ID= ]", ""}}, {909.6228, 12.728479, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {372.2657, 12.741412, "Meta"} -> 
    {{30286, 31293, 1}, {"(22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid [ \
C24 H36 O3, db=63.76, overall=31.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {354.3241, 12.753935, "Meta"} -> {{29752, 32923, 1}, {"", ""}}, 
   {633.4446, 12.767465, "Meta"} -> {{46537, 45034, 42945}, {"", ""}}, 
   {638.4002, 12.7673855, "Meta"} -> {{37798, 1, 41205}, {"", ""}}, 
   {546.238, 12.80944, "Meta"} -> {{91170, 1, 36469}, {"", ""}}, 
   {430.2145, 12.858498, "Meta"} -> {{20766, 25667, 36941}, {"", ""}}, 
   {381.2643, 12.864834, "Meta"} -> {{100973, 105176, 112704}, 
     {"Sphinganine 1-phosphate [ C18 H40 N O5 P, db=61.19, overall=30.59, \
KEGG ID=C01120, CAS ID=19794-97-9 ]", "19794-97-9"}}, 
   {598.4292, 12.9028635, "Meta"} -> {{86773, 449480, 461947}, {"", ""}}, 
   {914.5791, 12.90653, "Meta"} -> {{43154, 38186, 37259}, {"", ""}}, 
   {909.6228, 12.903775, "Meta"} -> {{44969, 35122, 39870}, {"", ""}}, 
   {262.1504, 12.906483, "Meta"} -> {{33324, 1, 1}, {"", ""}}, 
   {1613.9202, 12.9604435, "Meta"} -> {{22222, 17526, 96460}, {"", ""}}, 
   {519.8025, 12.93093, "Meta"} -> {{102368, 72858, 82598}, {"", ""}}, 
   {982.6032, 12.922208, "Meta"} -> {{79131, 73348, 57163}, {"", ""}}, 
   {1024.6497, 12.9421835, "Meta"} -> {{626409, 383998, 387499}, {"", ""}}, 
   {1148.6115, 12.963801, "Meta"} -> {{95361, 52354, 56074}, {"", ""}}, 
   {507.3326, 12.98204, "Meta"} -> {{112648, 1, 103372}, {"", ""}}, 
   {1559.8555, 12.970627, "Meta"} -> {{21248, 42667, 19343}, {"", ""}}, 
   {1042.6005, 12.993199, "Meta"} -> {{189744, 1, 188501}, {"", ""}}, 
   {1037.118, 13.003001, "Meta"} -> {{33021, 29469, 25622}, {"", ""}}, 
   {427.3661, 13.001041, "Meta"} -> {{472216, 660719, 295086}, 
     {"Stearoylcarnitine [ C25 H49 N O4, db=99.56, overall=49.78, HMP \
ID=HMDB00848, KEGG ID= ]", ""}}, {1065.1241, 13.043728, "Meta"} -> 
    {{115524, 109945, 117182}, {"", ""}}, {3153.9402, 13.013799, "Meta"} -> 
    {{92613, 88835, 116236}, {"", ""}}, {1062.6643, 13.043032, "Meta"} -> 
    {{3.71*^7, 2.5*^7, 1}, {"", ""}}, {1691.9418, 13.075117, "Meta"} -> 
    {{60966, 47052, 32431}, {"", ""}}, {1124.6125, 13.074121, "Meta"} -> 
    {{1, 497661, 322478}, {"", ""}}, {840.5426, 13.075176, "Meta"} -> 
    {{191500, 189745, 190264}, {"", ""}}, {1610.915, 13.078408, "Meta"} -> 
    {{96803, 125196, 68227}, {"", ""}}, {183.0655, 13.115752, "Meta"} -> 
    {{191660, 181375, 191125}, {"", ""}}, {2538.609, 13.147432, "Meta"} -> 
    {{72343, 85284, 75643}, {"", ""}}, {2562.6084, 13.136644, "Meta"} -> 
    {{149788, 167906, 156178}, {"", ""}}, {545.2796, 13.128334, "Meta"} -> 
    {{1, 30101, 1}, {"", ""}}, {1553.9612, 13.132172, "Meta"} -> 
    {{100704, 355656, 94475}, {"", ""}}, {569.3479, 13.150904, "Meta"} -> 
    {{1640250, 1, 1499253}, {"", ""}}, {1354.8588, 13.150917, "Meta"} -> 
    {{28687, 41586, 21234}, {"", ""}}, {1645.9559, 13.165126, "Meta"} -> 
    {{67612, 48159, 1}, {"", ""}}, {559.2929, 13.138584, "Meta"} -> 
    {{1, 30109, 117083}, {"", ""}}, {384.2382, 13.160249, "Meta"} -> 
    {{18723, 38713, 21309}, {"", ""}}, {883.525, 13.1601515, "Meta"} -> 
    {{82619, 94545, 66299}, {"", ""}}, {319.2722, 13.161035, "Meta"} -> 
    {{233818, 526459, 226185}, {"", ""}}, {662.3214, 13.161371, "Meta"} -> 
    {{20754, 32832, 11168}, {"", ""}}, {643.322, 13.174154, "Meta"} -> 
    {{1, 19859, 29212}, {"", ""}}, {583.2961, 13.172579, "Meta"} -> 
    {{171216, 109212, 174698}, {"", ""}}, {1505.898, 13.17625, "Meta"} -> 
    {{24135, 29580, 23885}, {"", ""}}, {970.6001, 13.182221, "Meta"} -> 
    {{471554, 372903, 363478}, {"", ""}}, {3039.9446, 13.20112, "Meta"} -> 
    {{42159, 50751, 39513}, {"", ""}}, {2967.8972, 13.195209, "Meta"} -> 
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   {1002.7006, 13.568126, "Meta"} -> {{835263, 473272, 515329}, {"", ""}}, 
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   {330.2768, 13.61125, "Meta"} -> {{3923770, 7499526, 1}, 
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     {"Thr Met Arg [ C15 H30 N6 O5 S, db=36.71, overall=18.35 ]", ""}}, 
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     {"11-cis-Retinol [ C20 H30 O, db=65.17, overall=32.58, Lipid \
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    {{1, 3784866, 1}, {"", ""}}, {325.2975, 13.681, "Meta"} -> 
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   {1372.908, 13.695891, "Meta"} -> {{136547, 149656, 106558}, {"", ""}}, 
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   {1000.5864, 13.70054, "Meta"} -> {{32593, 29172, 30986}, {"", ""}}, 
   {410.2824, 13.69748, "Meta"} -> {{26879, 162497, 25191}, 
     {"24,25-epoxy-1alpha-hydroxy-22,22,23,23-tetradehydrovitamin D3 / \
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    {{37415, 50730, 32092}, {"2H-Indol-2-one, \
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    {{32500, 36035, 43954}, {"", ""}}, {1343.0792, 13.708042, "Meta"} -> 
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    {{249375, 299953, 198283}, {"", ""}}, {948.6602, 13.717423, "Meta"} -> 
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   {2146.3713, 13.775643, "Meta"} -> {{978475, 717500, 718033}, {"", ""}}, 
   {1317.8951, 13.782828, "Meta"} -> {{139506, 303137, 121233}, {"", ""}}, 
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   {1411.0074, 13.822881, "Meta"} -> {{324156, 189256, 262837}, {"", ""}}, 
   {364.3083, 13.814071, "Meta"} -> {{1, 17008, 14000}, {"", ""}}, 
   {246.2344, 13.829058, "Meta"} -> {{22499, 25215, 22652}, 
     {"Dodecylbenzene [ C18 H30, db=83.32, overall=41.66, HMP ID=HMDB03542, \
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    {{1, 54382, 44756}, {"Trihydroxycoprostanoic acid [ C28 H48 O5, db=58.21, \
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   {1692.0865, 13.839601, "Meta"} -> {{50188, 46606, 45413}, {"", ""}}, 
   {615.5204, 13.8424425, "Meta"} -> {{77701, 65713, 103988}, {"", ""}}, 
   {286.2509, 13.846881, "Meta"} -> {{838585, 652463, 685772}, 
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    {{118794, 70046, 93732}, {"", ""}}, {1178.4764, 13.877108, "Meta"} -> 
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    {{473367, 418433, 370547}, {"", ""}}, {1026.6364, 13.899459, "Meta"} -> 
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   {457.2311, 13.933417, "Meta"} -> {{47545, 57400, 22341}, {"", ""}}, 
   {625.5645, 13.932321, "Meta"} -> {{178416, 279113, 1}, 
     {"1,3-di-(9Z-octadecenoyl)-2-hydroxy-sn-glycerol-d5 [ C39 H67 D5 O5, \
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     {"Betamethasone [ C22 H29 F O5, db=56.48, overall=28.24, KEGG ID=C06848, \
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    {{328658, 114159, 426521}, {"", ""}}, {905.6038, 13.9305, "Meta"} -> 
    {{90412, 129329, 60765}, {"", ""}}, {326.2818, 13.934208, "Meta"} -> 
    {{174968, 248630, 143993}, {"14R-hydroxy-11Z-eicosenoic acid [ C20 H38 \
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   {696.3306, 13.97226, "Meta"} -> {{32384, 59209, 23316}, {"", ""}}, 
   {368.3293, 13.973274, "Meta"} -> {{40388, 37326, 33219}, 
     {"2-oxo-tricosanoic acid [ C23 H44 O3, db=83.10, overall=41.55, Lipid \
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    {{94858, 81036, 116640}, {"", ""}}, {327.3138, 14.019958, "Meta"} -> 
    {{72965, 88118, 64394}, {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, \
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   {432.3443, 14.042667, "Meta"} -> {{3438992, 4401704, 2377166}, {"", ""}}, 
   {1130.752, 14.0565195, "Meta"} -> {{515275, 423444, 344487}, {"", ""}}, 
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   {442.3058, 14.054035, "Meta"} -> {{103708, 1, 97350}, 
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    {{348959, 151533, 535841}, {"Progesterone [ C21 H30 O2, db=66.34, \
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    {{30558, 24506, 34756}, {"", ""}}, {798.6034, 14.14996, "Meta"} -> 
    {{57862, 70764, 37062}, {"GPCho(18:0/19:3(9Z,12Z,15Z)[U]) [ C45 H85 N O8 \
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   {467.2466, 14.092066, "Meta"} -> {{1, 36484, 19398}, 
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    {{86620, 119947, 61257}, {"", ""}}, {1130.8466, 14.151208, "Meta"} -> 
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   {537.5111, 14.26788, "Meta"} -> {{98362, 95351, 97042}, 
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    {{56959, 28491, 48699}, {"", ""}}, {493.3546, 14.284119, "Meta"} -> 
    {{197994, 90614, 155872}, {"", ""}}, {462.2603, 14.291335, "Meta"} -> 
    {{40229, 72156, 52757}, {"Retinyl glucuronide [ C26 H38 O7, db=72.43, \
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   {1929.2153, 14.301193, "Meta"} -> {{96929, 51034, 49707}, {"", ""}}, 
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   {660.1179, 14.307345, "Meta"} -> {{1, 35505, 59063}, {"", ""}}, 
   {616.0923, 14.309033, "Meta"} -> {{58130, 57473, 89066}, {"", ""}}, 
   {1968.2823, 14.29344, "Meta"} -> {{78173, 1, 45281}, {"", ""}}, 
   {557.4655, 14.3256235, "Meta"} -> {{99863, 85228, 125889}, {"", ""}}, 
   {210.1611, 14.326935, "Meta"} -> {{1, 16161, 34260}, 
     {"3E,5E-tridecadienoic acid [ C13 H22 O2, db=51.36, overall=25.68, Lipid \
ID=, KEGG ID= ]", ""}}, {280.2406, 14.322849, "Meta"} -> 
    {{212401, 192114, 249400}, {"13E,17-octadecadienoic acid [ C18 H32 O2, \
db=82.66, overall=41.33, Lipid ID=, KEGG ID= ]", ""}}, 
   {1302.9338, 14.329708, "Meta"} -> {{316768, 309246, 1}, {"", ""}}, 
   {1224.7938, 14.333634, "Meta"} -> {{141384, 90780, 99224}, {"", ""}}, 
   {1158.784, 14.347498, "Meta"} -> {{71097, 62433, 120804}, {"", ""}}, 
   {412.258, 14.357724, "Meta"} -> {{9224142, 7383789, 8077500}, {"", ""}}, 
   {224.1775, 14.381326, "Meta"} -> {{157936, 810033, 138120}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=80.34, overall=40.17, \
Lipid ID=, KEGG ID= ]", ""}}, {540.3789, 14.368897, "Meta"} -> 
    {{708786, 631288, 1}, {"", ""}}, {266.2606, 14.390668, "Meta"} -> 
    {{51953, 63898, 38791}, {"3E,13Z-octadecadien-1-ol [ C18 H34 O, db=80.14, \
overall=40.07, Lipid ID=, KEGG ID= ]", ""}}, 
   {1987.2571, 14.389832, "Meta"} -> {{63955, 42243, 1}, {"", ""}}, 
   {644.4889, 14.399479, "Meta"} -> {{295330, 213923, 215218}, {"", ""}}, 
   {782.5681, 14.399292, "Meta"} -> {{1169976, 1385617, 773609}, 
     {"GPCho(18:1(9Z)/18:3(9Z,12Z,15Z)[U]) [ C44 H81 N O8 P, db=94.15, \
overall=47.08, Lipid ID=LMGP01010899, KEGG ID= ]", ""}}, 
   {1982.2996, 14.399588, "Meta"} -> {{98761, 88436, 1}, {"", ""}}, 
   {1977.3427, 14.395542, "Meta"} -> {{89215, 67258, 83457}, {"", ""}}, 
   {415.3658, 14.408801, "Meta"} -> {{189785, 387838, 508172}, {"", ""}}, 
   {1894.2448, 14.404812, "Meta"} -> {{160369, 143031, 119918}, {"", ""}}, 
   {539.2676, 14.406583, "Meta"} -> {{35182, 49414, 16636}, {"", ""}}, 
   {258.1832, 14.399001, "Meta"} -> {{90033, 123892, 63956}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=63.45, overall=31.73, \
Lipid ID=, KEGG ID= ]", ""}}, {1674.1147, 14.420113, "Meta"} -> 
    {{333147, 308189, 1}, {"", ""}}, {1669.1595, 14.419, "Meta"} -> 
    {{215148, 253432, 392880}, {"", ""}}, {607.7394, 14.417484, "Meta"} -> 
    {{37846, 26613, 35909}, {"", ""}}, {690.5302, 14.423751, "Meta"} -> 
    {{101507, 105226, 68614}, {"", ""}}, {410.3766, 14.434156, "Meta"} -> 
    {{106574, 76434, 20589}, {"", ""}}, {1458.941, 14.442542, "Meta"} -> 
    {{192275, 1, 1}, {"", ""}}, {1360.9753, 14.447921, "Meta"} -> 
    {{232447, 1, 1}, {"", ""}}, {415.4019, 14.450322, "Meta"} -> 
    {{22788, 24108, 34096}, {"", ""}}, {1326.8624, 14.456611, "Meta"} -> 
    {{113175, 74839, 76995}, {"", ""}}, {433.3763, 14.454422, "Meta"} -> 
    {{189082, 169689, 144040}, {"(+/-)N-(2-fluro-ethyl)-2,16,16-trimethyl-5Z,\
8Z,11Z,14Z-tricosatetraenoyl amine [ C28 H48 F N O, db=67.24, overall=33.62, \
Lipid ID=, KEGG ID= ]", ""}}, {450.3702, 14.42675, "Meta"} -> 
    {{376454, 1, 147756}, {"3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-on\
e [ C28 H50 O4, db=86.51, overall=43.25, Lipid ID=, KEGG ID= ]", ""}}, 
   {998.7598, 14.480124, "Meta"} -> {{32396, 1, 29626}, {"", ""}}, 
   {568.4706, 14.499832, "Meta"} -> {{119148, 680653, 692451}, {"", ""}}, 
   {640.1112, 14.502998, "Meta"} -> {{22515, 33142, 56007}, {"", ""}}, 
   {537.4164, 14.511375, "Meta"} -> {{903018, 480733, 1095094}, {"", ""}}, 
   {1859.2772, 14.508418, "Meta"} -> {{139630, 114311, 146667}, {"", ""}}, 
   {820.8858, 14.511085, "Meta"} -> {{49941, 1, 44050}, 
     {"Iohexol [ C19 H26 I3 N3 O9, db=28.84, overall=14.42, KEGG ID=, CAS \
ID=66108-95-0 ]", "66108-95-0"}}, {403.3657, 14.511079, "Meta"} -> 
    {{198587, 343193, 181087}, {"", ""}}, {484.3078, 14.513251, "Meta"} -> 
    {{37528, 55582, 15854}, {"", ""}}, {556.449, 14.513818, "Meta"} -> 
    {{197001, 184265, 208551}, {"", ""}}, {1727.2, 14.51852, "Meta"} -> 
    {{1, 170406, 224112}, {"", ""}}, {371.3507, 14.486881, "Meta"} -> 
    {{37062, 35181, 14559}, {"", ""}}, {1428.9324, 14.556345, "Meta"} -> 
    {{1, 23058, 39244}, {"", ""}}, {246.2343, 14.558037, "Meta"} -> 
    {{30548, 17010, 43642}, {"Dodecylbenzene [ C18 H30, db=85.43, \
overall=42.71, HMP ID=HMDB03542, KEGG ID= ]", ""}}, 
   {704.547, 14.558501, "Meta"} -> {{60711, 36700, 42924}, {"", ""}}, 
   {353.239, 14.559209, "Meta"} -> {{47447, 39292, 49117}, {"", ""}}, 
   {320.307, 14.586639, "Meta"} -> {{26980, 29139, 30552}, {"", ""}}, 
   {674.1341, 14.583749, "Meta"} -> {{1, 35781, 50600}, {"", ""}}, 
   {1922.2782, 14.597296, "Meta"} -> {{1, 84118, 1}, {"", ""}}, 
   {648.6536, 14.599898, "Meta"} -> {{111756, 172847, 211214}, {"", ""}}, 
   {721.5625, 14.639969, "Meta"} -> {{69666, 149489, 79641}, {"", ""}}, 
   {796.2077, 14.596042, "Meta"} -> {{42286, 1, 23173}, {"", ""}}, 
   {356.3766, 14.611617, "Meta"} -> {{146998, 123814, 221175}, {"", ""}}, 
   {729.6274, 14.614373, "Meta"} -> {{124050, 399250, 330416}, {"", ""}}, 
   {616.4684, 14.621041, "Meta"} -> {{4715770, 7755515, 6299151}, {"", ""}}, 
   {292.1672, 14.630277, "Meta"} -> {{621959, 148609, 66759}, {"", ""}}, 
   {783.0571, 14.639333, "Meta"} -> {{85329, 55882, 70653}, {"", ""}}, 
   {516.2764, 14.643195, "Meta"} -> {{237434, 46865, 1}, {"", ""}}, 
   {126.1405, 14.642334, "Meta"} -> {{389499, 88552, 34221}, {"", ""}}, 
   {449.3507, 14.649598, "Meta"} -> {{882140, 250000, 109479}, {"", ""}}, 
   {714.5294, 14.645124, "Meta"} -> {{1, 108912, 105592}, 
     {"1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docos\
ahexaenoyl)-sn-glycerol [ C47 H70 O5, db=26.90, overall=13.45, KEGG ID=, CAS \
ID= ]", ""}}, {148.0158, 14.662999, "Meta"} -> {{834749, 203500, 94783}, 
     {"", ""}}, {1975.3611, 14.680179, "Meta"} -> {{59485, 39266, 43679}, 
     {"", ""}}, {1304.9498, 14.676501, "Meta"} -> {{160342, 183720, 88734}, 
     {"", ""}}, {1288.9882, 14.677895, "Meta"} -> {{385225, 547112, 145135}, 
     {"", ""}}, {314.2456, 14.663063, "Meta"} -> {{73146, 123248, 205320}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=84.30, overall=42.15, HMP \
ID=HMDB00782, KEGG ID= ]", ""}}, {1887.3066, 14.691118, "Meta"} -> 
    {{72676, 60611, 1}, {"", ""}}, {718.5628, 14.687387, "Meta"} -> 
    {{298119, 383933, 319801}, {"", ""}}, {623.4396, 14.6919565, "Meta"} -> 
    {{71842, 47411, 48024}, {"", ""}}, {645.6059, 14.685749, "Meta"} -> 
    {{48040, 64201, 63405}, {"", ""}}, {628.3971, 14.698038, "Meta"} -> 
    {{26366, 51123, 42670}, {"", ""}}, {1843.2805, 14.697259, "Meta"} -> 
    {{56797, 42811, 53857}, {"", ""}}, {648.5186, 14.694042, "Meta"} -> 
    {{200914, 139371, 149710}, {"", ""}}, {408.3972, 14.705543, "Meta"} -> 
    {{57713, 33525, 62427}, {"2,4-dimethyl-2-pentacosenoic acid [ C27 H52 O2, \
db=74.43, overall=37.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {1226.7506, 14.711852, "Meta"} -> {{193844, 231644, 195595}, 
     {"Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=97.82, \
overall=48.91, HMP ID=HMDB04902, KEGG ID= ]", ""}}, 
   {645.4183, 14.717676, "Meta"} -> {{1, 151748, 152983}, {"", ""}}, 
   {698.468, 14.730161, "Meta"} -> {{50004, 60189, 62710}, {"", ""}}, 
   {758.5008, 14.730802, "Meta"} -> {{50685, 91384, 87173}, {"", ""}}, 
   {337.2991, 14.743073, "Meta"} -> {{370325, 210386, 300391}, {"", ""}}, 
   {567.4826, 14.741691, "Meta"} -> {{52598, 90165, 52068}, {"", ""}}, 
   {335.2823, 14.734916, "Meta"} -> {{1, 1, 352796}, {"", ""}}, 
   {224.1774, 14.743076, "Meta"} -> {{41600, 1, 42380}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=58.15, overall=29.08, \
Lipid ID=, KEGG ID= ]", ""}}, {311.2823, 14.741, "Meta"} -> 
    {{311424, 151923, 379839}, {"", ""}}, {410.3415, 14.759458, "Meta"} -> 
    {{80107, 422988, 697918}, {"", ""}}, {578.4528, 14.761768, "Meta"} -> 
    {{83294, 103733, 71945}, {"", ""}}, {821.8807, 14.768291, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {454.306, 14.7669325, "Meta"} -> 
    {{1131087, 231190, 161094}, {"26,26,26-trifluoro-25-hydroxyvitamin D3 / \
26,26,26-trifluoro-25-hydroxycholecalciferol [ C27 H41 F3 O2, db=96.49, \
overall=48.25, Lipid ID=LMST03020131, KEGG ID= ]", ""}}, 
   {754.4952, 14.762309, "Meta"} -> {{26794, 28949, 21333}, {"", ""}}, 
   {544.4848, 14.776436, "Meta"} -> {{55379, 70197, 54470}, {"", ""}}, 
   {1023.6713, 14.774457, "Meta"} -> {{99026, 120088, 68908}, 
     {"Trihexosylceramide (d18:1/16:0) [ C52 H97 N O18, db=90.02, \
overall=45.01, HMP ID=HMDB04879, KEGG ID= ]", ""}}, 
   {278.1698, 14.775679, "Meta"} -> {{54034, 79534, 62840}, {"", ""}}, 
   {647.6214, 14.772876, "Meta"} -> {{52300, 73122, 64221}, 
     {"Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, db=98.12, overall=49.06, \
HMP ID=HMDB04953, KEGG ID= ]", ""}}, {434.3759, 14.783721, "Meta"} -> 
    {{94840, 128240, 110793}, {"6-deoxoteasterone [ C28 H50 O3, db=63.15, \
overall=31.57, Lipid ID=LMST01030120, KEGG ID= ]", ""}}, 
   {724.4845, 14.780425, "Meta"} -> {{22631, 86143, 20844}, {"", ""}}, 
   {406.3782, 14.821377, "Meta"} -> {{43536, 40265, 27865}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=55.72, \
overall=27.86, Lipid ID=, KEGG ID= ]", ""}}, {704.5472, 14.802679, "Meta"} -> 
    {{47525, 47798, 61040}, {"", ""}}, {1249.0677, 14.813335, "Meta"} -> 
    {{36324, 1, 1}, {"", ""}}, {843.4971, 14.847156, "Meta"} -> 
    {{122349, 118882, 107393}, {"", ""}}, {2045.5883, 14.842042, "Meta"} -> 
    {{106813, 137774, 100083}, {"", ""}}, {2720.1182, 14.840377, "Meta"} -> 
    {{144524, 156602, 201201}, {"", ""}}, {2061.5564, 14.8452215, "Meta"} -> 
    {{241721, 292275, 222202}, {"", ""}}, {1239.9836, 14.848166, "Meta"} -> 
    {{102379, 75352, 104088}, {"", ""}}, {1387.0208, 14.848454, "Meta"} -> 
    {{519504, 635727, 495041}, {"", ""}}, {565.4473, 14.858251, "Meta"} -> 
    {{505783, 413419, 618595}, {"", ""}}, {1226.951, 14.852665, "Meta"} -> 
    {{57278, 71395, 22527}, {"", ""}}, {1419.0518, 14.88988, "Meta"} -> 
    {{20287, 42439, 24246}, {"", ""}}, {455.3974, 14.8894205, "Meta"} -> 
    {{227679, 25401, 473709}, {"", ""}}, {483.4287, 14.892069, "Meta"} -> 
    {{501061, 1, 640076}, {"", ""}}, {1375.0894, 14.895823, "Meta"} -> 
    {{1118974, 1112342, 1036273}, {"", ""}}, {469.413, 14.892142, "Meta"} -> 
    {{1420351, 139470, 2651249}, {"", ""}}, {280.2035, 14.893897, "Meta"} -> 
    {{285524, 1, 736160}, 
     {"12S-HHTrE [ C17 H28 O3, db=88.18, overall=44.09, KEGG ID=, CAS ID= ]", 
      ""}}, {2113.588, 14.897228, "Meta"} -> {{73513, 163853, 69522}, 
     {"", ""}}, {1292.0153, 14.903293, "Meta"} -> {{370760, 280314, 372349}, 
     {"", ""}}, {2139.604, 14.913654, "Meta"} -> {{342335, 424717, 341663}, 
     {"", ""}}, {1521.0576, 14.912457, "Meta"} -> {{40474, 37505, 42925}, 
     {"", ""}}, {738.4997, 14.919686, "Meta"} -> 
    {{1124991, 1408876, 1084576}, {"", ""}}, 
   {1885.4286, 14.923374, "Meta"} -> {{19964, 24280, 35185}, {"", ""}}, 
   {892.7136, 14.926122, "Meta"} -> {{433535, 68066, 961671}, {"", ""}}, 
   {406.3781, 14.850402, "Meta"} -> {{31740, 19279, 1}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=63.39, \
overall=31.69, Lipid ID=, KEGG ID= ]", ""}}, {607.4578, 14.934502, "Meta"} -> 
    {{154702, 201973, 108775}, {"", ""}}, {1389.1053, 14.947632, "Meta"} -> 
    {{1212143, 1136013, 1013833}, {"", ""}}, 
   {1363.0868, 14.951377, "Meta"} -> {{129657, 172681, 138486}, {"", ""}}, 
   {1415.0522, 14.961962, "Meta"} -> {{195431, 221077, 196991}, {"", ""}}, 
   {857.512, 14.964919, "Meta"} -> {{74896, 86345, 72248}, {"", ""}}, 
   {1142.867, 14.976418, "Meta"} -> {{20078, 23431, 16794}, {"", ""}}, 
   {1266.9861, 14.97788, "Meta"} -> {{87077, 85523, 65742}, {"", ""}}, 
   {1154.8688, 14.982498, "Meta"} -> {{55979, 62914, 43380}, {"", ""}}, 
   {390.277, 15.002232, "Meta"} -> {{400131, 271564, 317015}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=85.91, \
overall=42.95, Lipid ID=, KEGG ID= ]", ""}}, {752.5832, 15.019201, "Meta"} -> 
    {{79799, 57460, 74754}, {"", ""}}, {484.3526, 15.004758, "Meta"} -> 
    {{88322, 85756, 91240}, {"(22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimet\
hyl-23,24-tetradehydro-20-epivitamin D3 / (22S)-1alph [ C31 H48 O4, db=66.11, \
overall=33.06, Lipid ID=LMST03020487, KEGG ID= ]", ""}}, 
   {367.3811, 15.008845, "Meta"} -> {{52530, 13451, 29996}, {"", ""}}, 
   {677.5002, 15.038733, "Meta"} -> {{464008, 415491, 350023}, 
     {"GPEtn(13:0/18:0)[U] [ C36 H72 N O8 P, db=95.91, overall=47.95, Lipid \
ID=LMGP02010240, KEGG ID= ]", ""}}, {1391.1198, 15.0320015, "Meta"} -> 
    {{285687, 248960, 244796}, {"", ""}}, {1454.0837, 15.034749, "Meta"} -> 
    {{102575, 78839, 52798}, {"", ""}}, {1380.0681, 15.047085, "Meta"} -> 
    {{284739, 282382, 178770}, {"", ""}}, {755.4903, 15.05794, "Meta"} -> 
    {{120074, 193018, 169667}, {"", ""}}, {784.5607, 15.058108, "Meta"} -> 
    {{58517, 58808, 1}, {"", ""}}, {758.4878, 15.060915, "Meta"} -> 
    {{582871, 507701, 579242}, {"", ""}}, {818.5122, 15.060144, "Meta"} -> 
    {{243173, 142934, 200860}, {"", ""}}, {737.5, 15.062039, "Meta"} -> 
    {{92658, 1, 45236}, {"", ""}}, {1283.0142, 15.076242, "Meta"} -> 
    {{99954, 90764, 93563}, {"", ""}}, {2171.6577, 15.092257, "Meta"} -> 
    {{95334, 100510, 71977}, {"", ""}}, {995.0105, 15.10904, "Meta"} -> 
    {{27500, 1, 24634}, {"", ""}}, {488.4462, 15.100375, "Meta"} -> 
    {{16402, 12218, 15366}, {"", ""}}, {1469.0988, 15.108223, "Meta"} -> 
    {{176378, 161800, 185702}, {"", ""}}, {1506.1136, 15.1095, "Meta"} -> 
    {{256661, 244150, 152910}, {"", ""}}, {471.3568, 15.111719, "Meta"} -> 
    {{76431, 44667, 72653}, {"", ""}}, {1322.0612, 15.118584, "Meta"} -> 
    {{60059, 41858, 53089}, {"", ""}}, {828.6716, 15.138119, "Meta"} -> 
    {{87015, 80871, 113291}, {"", ""}}, {593.4785, 15.136201, "Meta"} -> 
    {{495765, 396163, 558933}, {"", ""}}, {697.5053, 15.145536, "Meta"} -> 
    {{62640, 47195, 73718}, {"1-tetrahexanoyl-2-(8-[3]-ladderane-octanyl)-sn-\
glycerophosphoethanolamine [ C39 H72 N O7 P, db=68.26, overall=34.13, Lipid \
ID=, KEGG ID= ]", ""}}, {803.5472, 15.149806, "Meta"} -> 
    {{3214527, 3831348, 2548833}, {"", ""}}, 
   {619.4939, 15.1440735, "Meta"} -> {{128081, 100050, 156984}, 
     {"CerP(d18:0/16:0) [ C34 H70 N O6 P, db=93.09, overall=46.55, Lipid \
ID=LMSP02050003, KEGG ID= ]", ""}}, {558.4257, 15.139498, "Meta"} -> 
    {{59176, 68783, 1}, {"", ""}}, {622.4963, 15.142163, "Meta"} -> 
    {{26569, 25265, 24271}, {"", ""}}, {820.6892, 15.14996, "Meta"} -> 
    {{32528, 30057, 61477}, {"", ""}}, {893.5938, 15.154918, "Meta"} -> 
    {{92870, 78860, 102961}, {"", ""}}, {663.5204, 15.159599, "Meta"} -> 
    {{56876, 43457, 72305}, {"", ""}}, {779.5471, 15.188432, "Meta"} -> 
    {{2.95*^7, 2.48*^7, 1}, {"", ""}}, {851.5445, 15.182407, "Meta"} -> 
    {{60633, 70261, 84682}, {"", ""}}, {805.5616, 15.247258, "Meta"} -> 
    {{1442446, 7837172, 9282366}, {"Galabiosylceramide (d18:1/12:0) [ C42 H79 \
N O13, db=66.51, overall=33.26, HMP ID=HMDB04831, KEGG ID= ]", ""}}, 
   {1489.1093, 15.274734, "Meta"} -> {{365381, 336924, 506900}, {"", ""}}, 
   {719.5459, 15.309272, "Meta"} -> {{23089, 20003, 37755}, 
     {"GPEtn(20:0/14:0)[U] [ C39 H78 N O8 P, db=86.95, overall=43.48, Lipid \
ID=LMGP02010177, KEGG ID= ]", ""}}, {1571.0496, 15.31023, "Meta"} -> 
    {{56477, 60851, 98092}, {"", ""}}, {725.5362, 15.288499, "Meta"} -> 
    {{94969, 83324, 183342}, {"", ""}}, {873.5031, 15.313261, "Meta"} -> 
    {{39657, 55882, 114499}, {"", ""}}, {756.6148, 15.312764, "Meta"} -> 
    {{235822, 219141, 444990}, {"", ""}}, {1547.1289, 15.317959, "Meta"} -> 
    {{200688, 167092, 278578}, {"", ""}}, {1573.1439, 15.344415, "Meta"} -> 
    {{285756, 674705, 1}, {"", ""}}, {1549.1458, 15.37693, "Meta"} -> 
    {{1, 1697626, 1129192}, {"", ""}}, {782.6284, 15.348928, "Meta"} -> 
    {{163989, 72804, 173623}, {"", ""}}, {952.5369, 15.360694, "Meta"} -> 
    {{33604, 35151, 53956}, {"", ""}}, {1525.1418, 15.393956, "Meta"} -> 
    {{854311, 649494, 1}, {"", ""}}, {1491.1252, 15.387623, "Meta"} -> 
    {{48344, 1, 55090}, {"", ""}}, {775.5518, 15.381926, "Meta"} -> 
    {{80325, 73697, 208867}, {"", ""}}, {875.5185, 15.418427, "Meta"} -> 
    {{33947, 31774, 73629}, {"", ""}}, {1595.19, 15.493964, "Meta"} -> 
    {{3648682, 1912911, 1}, {"", ""}}, {1579.1923, 15.52975, "Meta"} -> 
    {{1285673, 649785, 1645559}, {"", ""}}, {954.5526, 15.542758, "Meta"} -> 
    {{168330, 181089, 240490}, {"", ""}}, {1557.2059, 15.597347, "Meta"} -> 
    {{519165, 447660, 578697}, {"", ""}}, {909.5775, 15.618968, "Meta"} -> 
    {{130841, 161386, 122583}, {"", ""}}, {1573.2028, 15.661559, "Meta"} -> 
    {{752568, 764329, 1539727}, {"", ""}}, {1559.2216, 15.669201, "Meta"} -> 
    {{447204, 363897, 167881}, {"", ""}}, {602.5269, 15.669942, "Meta"} -> 
    {{54342, 100210, 34249}, {"1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane\
-octanyl)-sn-glycerol [ C39 H70 O4, db=63.29, overall=31.64, Lipid ID=, KEGG \
ID= ]", ""}}, {843.6118, 15.722835, "Meta"} -> {{950488, 773068, 840005}, 
     {"", ""}}, {834.6468, 15.719202, "Meta"} -> {{1, 39252, 52519}, 
     {"", ""}}, {621.6059, 15.754334, "Meta"} -> {{40299, 24347, 48969}, 
     {"Ceramide (d18:1/22:0) [ C40 H79 N O3, db=87.19, overall=43.60, HMP \
ID=HMDB04952, KEGG ID= ]", ""}}, {838.6273, 15.792639, "Meta"} -> 
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   {656.5704, 15.817416, "Meta"} -> {{79551, 287873, 96383}, {"", ""}}, 
   {582.4434, 15.824362, "Meta"} -> {{37669, 34165, 40294}, 
     {"Spheroidenone [ C41 H58 O2, db=89.48, overall=44.74, Lipid \
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    {{104979, 187183, 64486}, {"", ""}}, {639.5801, 15.833317, "Meta"} -> 
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    {{73792, 61000, 83836}, {"Tricosanamide [ C41 H81 N O3, db=95.86, \
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   {747.6132, 15.858359, "Meta"} -> {{245327, 282439, 310485}, {"", ""}}, 
   {564.3964, 15.855876, "Meta"} -> {{47600, 38727, 57447}, 
     {"Alloxanthin/ Tetradehydrozeaxanthin / (Cynthiaxanthin)/ \
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   {684.6018, 16.037434, "Meta"} -> {{234166, 663025, 180153}, {"", ""}}, 
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   {915.6391, 16.21967, "Meta"} -> {{341599, 300817, 293133}, {"", ""}}, 
   {674.5822, 16.300085, "Meta"} -> {{41707, 172676, 29384}, 
     {"1-(9Z,12Z,15Z-octadecatrienoyl)-2-docosanoyl-sn-glycerol [ C43 H78 O5, \
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   {669.6272, 16.306915, "Meta"} -> {{43171, 101703, 22129}, {"", ""}}, 
   {599.7973, 0.40380767, "Meta"} -> {{16545, 19424, 1}, {"", ""}}, 
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   {294.0586, 0.8043199, "Meta"} -> {{145096, 177599, 143037}, 
     {"2-Butanone, 4-[6-(sulfooxy)-2-naphthalenyl]- [ C14 H14 O5 S, db=75.51, \
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   {281.1835, 0.9314584, "Meta"} -> {{86188, 71218, 60221}, {"", ""}}, 
   {398.103, 10.056501, "Meta"} -> {{197021, 200038, 196867}, 
     {"7-Deoxyadriamycinone [ C21 H18 O8, db=72.55, overall=36.27, KEGG ID=, \
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    {{24204, 18304, 17866}, {"Gibberellin A9 [ C19 H24 O4, db=70.57, \
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   {354.2764, 13.447666, "Meta"} -> {{196973, 1, 147381}, 
     {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 O4, db=81.00, \
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   {380.2015, 14.26752, "Meta"} -> {{16029, 1, 21477}, 
     {"fludrocortisone [ C21 H29 F O5, db=74.03, overall=37.01, KEGG \
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   {1457.1663, 15.1218405, "Meta"} -> {{1329776, 1439881, 1100569}, 
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     {"Levobunolol glucuronide [ C23 H33 N O9, db=57.86, overall=28.93, KEGG \
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     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=58.66, \
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   {146.1052, 0.34577778, "Meta"} -> {{89278, 82231, 82000}, 
     {"Lysine [ C6 H14 N2 O2, db=85.61, overall=42.81, KEGG ID=C00047, CAS \
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    {{54567, 20079, 24488}, {"Inosine triphosphate [ C10 H15 N4 O14 P3, \
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   {168.0872, 0.36461288, "Meta"} -> {{71717, 74544, 69697}, {"", ""}}, 
   {354.0757, 0.36960006, "Meta"} -> {{72865, 72401, 69988}, 
     {"N-Desmethylketazolam [ C19 H15 Cl N2 O3, db=61.05, overall=30.52, KEGG \
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   {842.5152, 0.37236363, "Meta"} -> {{1, 59188, 58517}, 
     {"Spiramycin 1 [ C43 H74 N2 O14, db=50.52, overall=25.26, KEGG \
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   {678.5085, 0.37215626, "Meta"} -> {{45344, 49219, 48739}, 
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   {219.9025, 0.4121111, "Meta"} -> {{494692, 491986, 482721}, {"", ""}}, 
   {651.6545, 0.41184002, "Meta"} -> {{68926, 1, 62055}, 
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O7 P, db=61.18, overall=30.59, HMP ID=HMDB01235, KEGG ID= ]", ""}}, 
   {361.0891, 0.4204722, "Meta"} -> {{273184, 344970, 369710}, 
     {"His Cys Cys [ C12 H19 N5 O4 S2, db=74.60, overall=37.30 ]", ""}}, 
   {443.0923, 0.42244443, "Meta"} -> {{57195, 72896, 79231}, {"", ""}}, 
   {536.1894, 0.42578793, "Meta"} -> {{36691, 69255, 79112}, {"", ""}}, 
   {342.008, 0.44034287, "Meta"} -> {{48191, 1, 47809}, {"", ""}}, 
   {279.085, 0.43405554, "Meta"} -> {{1150910, 1453125, 1748067}, {"", ""}}, 
   {284.0491, 0.4420606, "Meta"} -> {{55048, 54416, 51942}, {"", ""}}, 
   {103.0999, 0.44377777, "Meta"} -> {{153432, 227180, 267976}, {"", ""}}, 
   {481.9704, 0.44212005, "Meta"} -> {{1, 1, 7882}, {"", ""}}, 
   {183.0875, 0.44372222, "Meta"} -> {{372389, 342208, 334677}, {"", ""}}, 
   {224.0281, 0.4447647, "Meta"} -> {{128081, 159889, 145023}, 
     {"Cys Cys [ C6 H12 N2 O3 S2, db=64.23, overall=32.11 ]", ""}}, 
   {457.0211, 0.45377782, "Meta"} -> {{1, 15223, 14152}, {"", ""}}, 
   {135.0411, 0.4499394, "Meta"} -> {{614113, 565764, 539736}, {"", ""}}, 
   {262.078, 0.45158333, "Meta"} -> {{322323, 336854, 327707}, 
     {"Asp Glu [ C9 H14 N2 O7, db=81.80, overall=40.90 ]", ""}}, 
   {202.0446, 0.45386112, "Meta"} -> {{6718578, 7220599, 6494516}, {"", ""}}, 
   {159.0275, 0.45163885, "Meta"} -> {{61062, 60327, 55666}, {"", ""}}, 
   {220.1785, 0.4556666, "Meta"} -> {{101579, 123228, 118136}, {"", ""}}, 
   {404.092, 0.45348275, "Meta"} -> {{1, 40890, 35694}, {"", ""}}, 
   {315.1044, 0.4536389, "Meta"} -> {{253551, 234759, 216008}, {"", ""}}, 
   {320.036, 0.4549231, "Meta"} -> {{1, 29430, 31428}, {"", ""}}, 
   {382.1086, 0.45669445, "Meta"} -> {{2675688, 2493454, 2314249}, {"", ""}}, 
   {396.1638, 0.4501666, "Meta"} -> {{1, 1, 16005}, 
     {"Asn Tyr Thr [ C17 H24 N4 O7, db=83.05, overall=41.53 ]", ""}}, 
   {113.059, 0.45647225, "Meta"} -> {{568224, 507991, 389717}, 
     {"Creatinine [ C4 H7 N3 O, db=69.36, overall=34.68, KEGG ID=C00791, CAS \
ID=60-27-5 ]", "60-27-5"}}, {339.0908, 0.4577187, "Meta"} -> 
    {{19123, 17892, 1}, 
     {"Cys Ser Met [ C11 H21 N3 O5 S2, db=57.09, overall=28.54 ]", ""}}, 
   {337.0433, 0.45780003, "Meta"} -> {{145335, 203862, 213908}, 
     {"Famotidine [ C8 H15 N7 O2 S3, db=57.43, overall=28.71, KEGG ID=C06994, \
CAS ID=76824-35-6 ]", "76824-35-6"}}, {114.0292, 0.45835483, "Meta"} -> 
    {{132564, 147898, 160282}, {"", ""}}, {174.1111, 0.46506065, "Meta"} -> 
    {{1, 60720, 1}, {"Arginine [ C6 H14 N4 O2, db=51.57, overall=25.79, KEGG \
ID=C00062, CAS ID=74-79-3 ]", "74-79-3"}}, {131.0692, 0.46048486, "Meta"} -> 
    {{1, 185627, 169418}, {"Creatine [ C4 H9 N3 O2, db=99.16, overall=49.58, \
KEGG ID=C00300, CAS ID=6020-87-7 ]", "6020-87-7"}}, 
   {317.9624, 0.46102777, "Meta"} -> {{216011, 210321, 207533}, {"", ""}}, 
   {260.0039, 0.4610556, "Meta"} -> {{578809, 579929, 541227}, {"", ""}}, 
   {139.0609, 0.45847225, "Meta"} -> {{978125, 1046080, 1012033}, {"", ""}}, 
   {375.9207, 0.46166673, "Meta"} -> {{170930, 164856, 136099}, {"", ""}}, 
   {498.0259, 0.46341926, "Meta"} -> {{43100, 39575, 35283}, {"", ""}}, 
   {161.1053, 0.46408334, "Meta"} -> {{1818321, 1723425, 1709357}, {"", ""}}, 
   {366.1134, 0.4641667, "Meta"} -> {{60740, 59935, 60659}, {"", ""}}, 
   {440.0675, 0.46469444, "Meta"} -> {{146733, 140259, 132551}, {"", ""}}, 
   {175.0959, 0.4649032, "Meta"} -> {{39591, 44706, 45874}, 
     {"Citrulline [ C6 H13 N3 O3, db=47.39, overall=23.69, KEGG ID=C00327, \
CAS ID=372-75-8 ]", "372-75-8"}}, {115.0636, 0.4639722, "Meta"} -> 
    {{998515, 980246, 945005}, {"Proline [ C5 H9 N O2, db=87.30, \
overall=43.65, KEGG ID=C00148, CAS ID=147-85-3 ]", "147-85-3"}}, 
   {256.1436, 0.4642592, "Meta"} -> {{160845, 139856, 137187}, {"", ""}}, 
   {399.0646, 0.4658, "Meta"} -> {{37076, 40014, 37197}, {"", ""}}, 
   {192.1473, 0.46303123, "Meta"} -> {{145418, 149523, 152862}, {"", ""}}, 
   {341.1066, 0.46715382, "Meta"} -> {{30218, 1, 1}, 
     {"Tyr Cys Gly [ C14 H19 N3 O5 S, db=77.47, overall=38.73 ]", ""}}, 
   {248.1483, 0.46862853, "Meta"} -> {{41075, 35490, 30779}, {"", ""}}, 
   {159.1256, 0.47108328, "Meta"} -> {{298384, 258869, 254929}, 
     {"DL-2-Aminooctanoic acid [ C8 H17 N O2, db=86.92, overall=43.46, HMP \
ID=HMDB00991, KEGG ID= ]", ""}}, {60.0325, 0.47265622, "Meta"} -> 
    {{545256, 419345, 396470}, {"Urea [ C H4 N2 O, db=87.80, overall=43.90, \
KEGG ID=C00086, CAS ID=57-13-6 ]", "57-13-6"}}, 
   {297.1425, 0.47046667, "Meta"} -> {{228917, 214731, 1}, 
     {"Ala His Ala [ C12 H19 N5 O4, db=91.10, overall=45.55 ]", ""}}, 
   {117.0784, 0.47286117, "Meta"} -> {{5371473, 5343939, 4917838}, 
     {"5-Aminopentanoic acid [ C5 H11 N O2, db=96.95, overall=48.48, HMP \
ID=HMDB03355, KEGG ID= ]", ""}}, {222.0852, 0.47502783, "Meta"} -> 
    {{82833, 83215, 83535}, {"", ""}}, {302.184, 0.47386664, "Meta"} -> 
    {{30004, 26350, 1}, {"", ""}}, {240.0955, 0.47499996, "Meta"} -> 
    {{77513, 67230, 70953}, {"", ""}}, {143.0945, 0.4738333, "Meta"} -> 
    {{1242958, 1210447, 1048496}, {"Triparanol [ C7 H13 N O2, db=69.83, \
overall=34.92, HMP ID=HMDB01378, KEGG ID= ]", ""}}, 
   {228.1473, 0.47896966, "Meta"} -> {{322768, 330010, 292747}, 
     {"Leu Pro [ C11 H20 N2 O3, db=61.48, overall=30.74 ]", ""}}, 
   {257.1031, 0.48044443, "Meta"} -> {{601004, 927076, 979948}, 
     {"5-Methylcytidine [ C10 H15 N3 O5, db=85.28, overall=42.64, HMP \
ID=HMDB00982, KEGG ID=, CAS ID=2140-61-6 ]", "2140-61-6"}}, 
   {71.074, 0.48255876, "Meta"} -> {{791491, 800254, 732055}, {"", ""}}, 
   {157.1101, 0.4915172, "Meta"} -> {{40870, 37155, 63309}, 
     {"Tranexamic acid [ C8 H15 N O2, db=82.75, overall=41.37, KEGG \
ID=C12535, CAS ID=1197-18-8 ]", "1197-18-8"}}, 
   {144.042, 0.48648572, "Meta"} -> {{111092, 101431, 110275}, 
     {"(E)-2-Methylglutaconic acid [ C6 H8 O4, db=81.83, overall=40.91, HMP \
ID=HMDB02266, KEGG ID= ]", ""}}, {240.1471, 0.48564285, "Meta"} -> 
    {{28649, 1, 1}, {"", ""}}, {162.0524, 0.48472, "Meta"} -> 
    {{1, 1, 118516}, {"2-Hydroxyadipic acid [ C6 H10 O5, db=74.88, \
overall=37.44, HMP ID=HMDB00321, KEGG ID= ]", ""}}, 
   {307.0891, 0.4947, "Meta"} -> {{19713, 20802, 17639}, 
     {"Succinyllipoic acid [ C12 H21 N O4 S2, db=34.62, overall=17.31, HMP \
ID=HMDB01012, KEGG ID= ]", ""}}, {247.9688, 0.49561107, "Meta"} -> 
    {{184131, 188659, 185436}, {"", ""}}, {198.0384, 0.50133336, "Meta"} -> 
    {{147626, 134992, 137993}, {"", ""}}, {168.0283, 0.50608325, "Meta"} -> 
    {{2263108, 1972881, 1852514}, {"Uric acid [ C5 H4 N4 O3, db=97.37, \
overall=48.69, KEGG ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, 
   {191.0248, 0.5051143, "Meta"} -> {{132738, 83963, 99057}, {"", ""}}, 
   {348.0916, 0.5082572, "Meta"} -> {{109833, 98670, 94518}, {"", ""}}, 
   {280.0422, 0.50655884, "Meta"} -> {{52789, 54612, 37922}, {"", ""}}, 
   {133.9952, 0.5028, "Meta"} -> {{277190, 303468, 28532}, {"", ""}}, 
   {129.0423, 0.50794446, "Meta"} -> {{350848, 555963, 504050}, 
     {"Pyroglutamic acid [ C5 H7 N O3, db=86.82, overall=43.41, KEGG \
ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, {309.1056, 0.5132, "Meta"} -> 
    {{1, 33300, 35888}, {"N-Acetyl-a-neuraminic acid [ C11 H19 N O9, \
db=51.18, overall=25.59, HMP ID=HMDB00773, KEGG ID= ]", ""}}, 
   {548.0497, 0.5119356, "Meta"} -> {{34391, 33789, 29040}, {"", ""}}, 
   {112.0135, 0.51612, "Meta"} -> {{1, 979459, 1200847}, {"", ""}}, 
   {396.0151, 0.5267038, "Meta"} -> {{83434, 65158, 32400}, {"", ""}}, 
   {393.0659, 0.53931427, "Meta"} -> {{45321, 75560, 43296}, 
     {"5-Hydroxythiabendazole glucuronide [ C16 H15 N3 O7 S, db=55.85, \
overall=27.93, KEGG ID=, CAS ID=6801-82-7 ]", "6801-82-7"}}, 
   {185.1047, 0.54106057, "Meta"} -> {{48496, 69076, 63403}, 
     {"Ecgonine [ C9 H15 N O3, db=82.32, overall=41.16, KEGG ID=, CAS \
ID=481-37-8 ]", "481-37-8"}}, {159.068, 0.54042304, "Meta"} -> 
    {{1, 1, 40942}, {"Indoleacetaldehyde [ C10 H9 N O, db=55.69, \
overall=27.85, HMP ID=HMDB01190, KEGG ID= ]", ""}}, 
   {132.0244, 0.54202855, "Meta"} -> {{88927, 89887, 86070}, {"", ""}}, 
   {149.0507, 0.54125, "Meta"} -> {{801709, 812235, 804582}, 
     {"Methionine [ C5 H11 N O2 S, db=99.04, overall=49.52, KEGG ID=C00073, \
CAS ID=63-68-3 ]", "63-68-3"}}, {279.1315, 0.54772216, "Meta"} -> 
    {{123048, 115190, 103058}, {"", ""}}, {164.047, 0.5517223, "Meta"} -> 
    {{156379, 165972, 163440}, {"p-Coumaric acid [ C9 H8 O3, db=86.35, \
overall=43.17, KEGG ID=, CAS ID=7400-08-0 ]", "7400-08-0"}}, 
   {181.0737, 0.5518889, "Meta"} -> {{1822637, 2032462, 1734611}, 
     {"Tyrosine [ C9 H11 N O3, db=99.43, overall=49.71, KEGG ID=C00082, CAS \
ID=60-18-4 ]", "60-18-4"}}, {122.0354, 0.55100006, "Meta"} -> 
    {{286091, 296121, 321385}, {"", ""}}, {321.1047, 0.5580909, "Meta"} -> 
    {{60165, 1, 81047}, {"", ""}}, {311.1578, 0.55884373, "Meta"} -> 
    {{184857, 58775, 51415}, 
     {"Gly Val His [ C13 H21 N5 O4, db=80.96, overall=40.48 ]", ""}}, 
   {131.0946, 0.5592222, "Meta"} -> {{1.51*^7, 1.74*^7, 1.38*^7}, 
     {"Leucine [ C6 H13 N O2, db=99.82, overall=49.91, KEGG ID=C00123, CAS \
ID=61-90-5 ]", "61-90-5"}}, {85.0889, 0.5585, "Meta"} -> 
    {{1960452, 2073439, 1749082}, {"", ""}}, 
   {175.0582, 0.55870366, "Meta"} -> {{122591, 131669, 137529}, 
     {"Guanidinosuccinic Acid [ C5 H9 N3 O4, db=74.59, overall=37.29, KEGG \
ID=C03139, CAS ID=6133-30-8 ]", "6133-30-8"}}, 
   {230.0767, 0.58708334, "Meta"} -> {{36611, 45382, 42749}, {"", ""}}, 
   {124.0136, 0.573853, "Meta"} -> {{55745, 71865, 62896}, {"", ""}}, 
   {262.1892, 0.5915186, "Meta"} -> {{125330, 53608, 1}, {"", ""}}, 
   {315.1291, 0.6577931, "Meta"} -> {{21006, 1, 16429}, {"", ""}}, 
   {181.0738, 0.63259375, "Meta"} -> {{1015781, 915767, 846278}, 
     {"Tyrosine [ C9 H11 N O3, db=99.69, overall=49.85, KEGG ID=C00082, CAS \
ID=60-18-4 ]", "60-18-4"}}, {321.1046, 0.64432, "Meta"} -> 
    {{40250, 1, 25381}, {"", ""}}, {262.1526, 0.64625, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {85.0891, 0.65061104, "Meta"} -> 
    {{1967876, 1997675, 1867737}, {"", ""}}, 
   {131.0943, 0.65075004, "Meta"} -> {{1.66*^7, 1.65*^7, 1.51*^7}, 
     {"Leucine [ C6 H13 N O2, db=98.20, overall=49.10, KEGG ID=C00123, CAS \
ID=61-90-5 ]", "61-90-5"}}, {184.0232, 0.6469033, "Meta"} -> 
    {{1, 1, 791954}, {"", ""}}, {396.0152, 0.65655553, "Meta"} -> 
    {{47957, 59872, 47966}, {"", ""}}, {198.0385, 0.6591563, "Meta"} -> 
    {{91978, 1, 1}, {"", ""}}, {366.1426, 0.73793095, "Meta"} -> 
    {{49162, 28848, 25833}, {"", ""}}, {564.0432, 0.6553846, "Meta"} -> 
    {{1, 1, 17481}, {"", ""}}, {168.0284, 0.66358334, "Meta"} -> 
    {{3361240, 4246441, 3497632}, {"Uric acid [ C5 H4 N4 O3, db=99.35, \
overall=49.68, KEGG ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, 
   {352.0513, 0.6635001, "Meta"} -> {{131042, 131858, 120801}, {"", ""}}, 
   {191.0249, 0.6656572, "Meta"} -> {{479038, 317813, 342272}, {"", ""}}, 
   {176.0948, 0.66323525, "Meta"} -> {{44753, 52099, 38689}, 
     {"Serotonin [ C10 H12 N2 O, db=81.86, overall=40.93, KEGG ID=C00780, CAS \
ID=50-67-9 ]", "50-67-9"}}, {343.1261, 0.6673332, "Meta"} -> 
    {{30050, 27448, 20192}, {"b-D-Glucopyranosiduronic acid [ C15 H21 N O8, \
db=84.47, overall=42.23, KEGG ID=, CAS ID=33150-82-2 ]", "33150-82-2"}}, 
   {159.0679, 0.6692903, "Meta"} -> {{44142, 37622, 34350}, 
     {"Indoleacetaldehyde [ C10 H9 N O, db=58.61, overall=29.30, HMP \
ID=HMDB01190, KEGG ID= ]", ""}}, {542.0351, 0.6685769, "Meta"} -> 
    {{30139, 1, 1}, {"cefonicid [ C18 H18 N6 O8 S3, db=52.28, overall=26.14, \
KEGG ID=, CAS ID= ]", ""}}, {267.1331, 0.6696945, "Meta"} -> 
    {{42556, 49036, 52616}, {"", ""}}, {346.076, 0.6595, "Meta"} -> 
    {{30239, 29597, 29015}, {"", ""}}, {366.0667, 0.6683939, "Meta"} -> 
    {{33584, 33196, 41185}, {"", ""}}, {348.0913, 0.6686563, "Meta"} -> 
    {{63488, 58802, 50952}, {"", ""}}, {478.0537, 0.6733429, "Meta"} -> 
    {{39689, 33785, 32336}, {"", ""}}, {129.0423, 0.67652774, "Meta"} -> 
    {{521355, 463689, 439229}, {"Pyroglutamic acid [ C5 H7 N O3, db=60.99, \
overall=30.50, KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {297.0706, 0.67399997, "Meta"} -> {{27774, 26692, 28620}, {"", ""}}, 
   {414.0701, 0.68071425, "Meta"} -> {{24181, 1, 19646}, {"", ""}}, 
   {104.0473, 0.7109601, "Meta"} -> {{1593575, 1, 1564183}, 
     {"a-hydroxybutyrate [ C4 H8 O3, db=87.83, overall=43.92, KEGG ID=, CAS \
ID= ]", ""}}, {293.1474, 0.70211107, "Meta"} -> {{596303, 596927, 392176}, 
     {"", ""}}, {124.0136, 0.698871, "Meta"} -> {{56951, 66755, 59928}, 
     {"", ""}}, {244.0693, 0.69808567, "Meta"} -> {{155178, 157158, 139661}, 
     {"Uridine [ C9 H12 N2 O6, db=80.06, overall=40.03, KEGG ID=C00299, CAS \
ID=58-96-8 ]", "58-96-8"}}, {228.1472, 0.70621204, "Meta"} -> 
    {{288961, 249907, 285998}, 
     {"Leu Pro [ C11 H20 N2 O3, db=86.33, overall=43.17 ]", ""}}, 
   {246.1213, 0.72223526, "Meta"} -> {{49396, 60811, 50083}, 
     {"Ile Asp [ C10 H18 N2 O5, db=79.46, overall=39.73 ]", ""}}, 
   {126.0292, 0.7198077, "Meta"} -> {{1, 1638947, 1}, {"", ""}}, 
   {347.9839, 0.72131026, "Meta"} -> {{65992, 47159, 56458}, {"", ""}}, 
   {252.1109, 0.7333571, "Meta"} -> {{72765, 1, 1}, 
     {"Tyr Ala [ C12 H16 N2 O4, db=96.68, overall=48.34 ]", ""}}, 
   {338.0838, 0.75042427, "Meta"} -> {{103460, 108417, 95503}, {"", ""}}, 
   {148.0112, 0.75524235, "Meta"} -> {{166038, 193346, 175052}, {"", ""}}, 
   {136.0384, 0.7559166, "Meta"} -> {{2377113, 1936441, 1748631}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=95.18, overall=47.59, KEGG ID=C00262, \
CAS ID=68-94-0 ]", "68-94-0"}}, {277.0016, 0.76956004, "Meta"} -> 
    {{140203, 132030, 1}, {"", ""}}, {161.0507, 0.7749999, "Meta"} -> 
    {{180439, 1, 176654}, {"", ""}}, {301.1176, 0.832861, "Meta"} -> 
    {{28287, 30536, 30183}, {"", ""}}, {263.0468, 0.8569698, "Meta"} -> 
    {{38212, 27817, 34079}, {"Normetanephrine sulfate [ C9 H13 N O6 S, \
db=62.13, overall=31.07, KEGG ID=, CAS ID=1215-29-8 ]", "1215-29-8"}}, 
   {427.2543, 0.88016677, "Meta"} -> {{57074, 58683, 1}, {"", ""}}, 
   {533.1839, 0.8766785, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {208.0844, 0.8729697, "Meta"} -> {{893133, 881977, 837322}, 
     {"Kynurenine [ C10 H12 N2 O3, db=98.79, overall=49.40, KEGG ID=C00328, \
CAS ID=343-65-7 ]", "343-65-7"}}, {310.1159, 0.87493944, "Meta"} -> 
    {{1, 22912, 19812}, 
     {"Tyr Glu [ C14 H18 N2 O6, db=80.16, overall=40.08 ]", ""}}, 
   {130.0417, 0.889875, "Meta"} -> {{249779, 261109, 220144}, {"", ""}}, 
   {119.0736, 0.8910293, "Meta"} -> {{5095023, 5435251, 4204216}, {"", ""}}, 
   {165.0784, 0.88927776, "Meta"} -> {{2.76*^7, 2.95*^7, 2.72*^7}, 
     {"2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, db=96.07, \
overall=48.03, KEGG ID=, CAS ID=18259-42-2 ]", "18259-42-2"}}, 
   {102.047, 0.8869601, "Meta"} -> {{1, 47171, 1}, {"", ""}}, 
   {268.0808, 0.88524127, "Meta"} -> {{1, 1, 1}, {"Inosine [ C10 H12 N4 O5, \
db=85.71, overall=42.86, KEGG ID=C00294, CAS ID=58-63-9 ]", "58-63-9"}}, 
   {518.1942, 0.9226364, "Meta"} -> {{14288, 1, 1}, 
     {"Gossypol [ C30 H30 O8, db=74.85, overall=37.42, Lipid ID=LMPR01030019, \
KEGG ID=C07667 ]", ""}}, {359.1316, 0.92291445, "Meta"} -> 
    {{27740, 30349, 29748}, 
     {"Asp Glu Pro [ C14 H21 N3 O8, db=49.24, overall=24.62 ]", ""}}, 
   {358.1738, 0.921639, "Meta"} -> {{51216, 58044, 47574}, {"", ""}}, 
   {315.1679, 0.92541665, "Meta"} -> {{2414985, 2523546, 2253116}, {"", ""}}, 
   {246.1213, 0.9403793, "Meta"} -> {{1, 47761, 35840}, 
     {"Ile Asp [ C10 H18 N2 O5, db=75.39, overall=37.69 ]", ""}}, 
   {348.1567, 0.99688005, "Meta"} -> {{86790, 91062, 133683}, 
     {"Ala Arg Cys [ C12 H24 N6 O4 S, db=90.69, overall=45.35 ]", ""}}, 
   {150.0887, 1.0149167, "Meta"} -> {{8001608, 7740784, 6645571}, {"", ""}}, 
   {380.1186, 1.0151613, "Meta"} -> {{1, 158838, 104919}, 
     {"Cys Gln Met [ C13 H24 N4 O5 S2, db=70.63, overall=35.32 ]", ""}}, 
   {88.0527, 1.0138214, "Meta"} -> {{870975, 879073, 766512}, 
     {"Acetoin [ C4 H8 O2, db=98.92, overall=49.46, KEGG ID=C00810, CAS \
ID=513-86-0 ]", "513-86-0"}}, {132.0785, 1.0133704, "Meta"} -> 
    {{1, 321988, 269552}, {"2-Hydroxy-4-methylvaleric acid [ C6 H12 O3, \
db=96.66, overall=48.33, KEGG ID=, CAS ID=13748-90-8 ]", "13748-90-8"}}, 
   {248.0572, 1.018941, "Meta"} -> {{953305, 963244, 824933}, 
     {"Pyridoxamine Phosphate [ C8 H13 N2 O5 P, db=92.97, overall=46.48, KEGG \
ID=C00647, CAS ID=529-96-4 ]", "529-96-4"}}, {264.0292, 1.0199355, "Meta"} -> 
    {{1, 266718, 189998}, {"(3-Methoxy-4-hydroxyphenyl)ethylene glycol \
sulfate [ C9 H12 O7 S, db=58.12, overall=29.06, KEGG ID=, CAS ID=3415-67-6 ]"\
, "3415-67-6"}}, {239.9853, 1.04124, "Meta"} -> {{39256, 1, 1}, {"", ""}}, 
   {210.1212, 1.0249231, "Meta"} -> {{300055, 1, 271560}, {"", ""}}, 
   {338.1254, 1.0379394, "Meta"} -> {{1, 1, 414670}, {"", ""}}, 
   {353.0898, 1.0451715, "Meta"} -> {{132286, 163587, 122948}, 
     {"Acenocoumarol [ C19 H15 N O6, db=85.70, overall=42.85, KEGG ID=, CAS \
ID=152-72-7 ]", "152-72-7"}}, {327.1318, 1.0948066, "Meta"} -> 
    {{179879, 1, 137999}, {"", ""}}, {231.1472, 1.1548711, "Meta"} -> 
    {{171072, 117069, 88029}, {"Isobutyryl carnitine [ C11 H21 N O4, \
db=82.39, overall=41.19, KEGG ID=, CAS ID=25518-49-4 ]", "25518-49-4"}}, 
   {354.1791, 1.2549354, "Meta"} -> {{312650, 317980, 250708}, {"", ""}}, 
   {291.0178, 1.2728126, "Meta"} -> {{65009, 59074, 69318}, {"", ""}}, 
   {276.0544, 1.2674193, "Meta"} -> {{65626, 61312, 55199}, {"", ""}}, 
   {216.0308, 1.2762144, "Meta"} -> {{101406, 98064, 1}, {"", ""}}, 
   {117.0578, 1.2811853, "Meta"} -> {{156421, 181856, 174671}, 
     {"Indole [ C8 H7 N, db=70.72, overall=35.36, KEGG ID=C00463, CAS \
ID=120-72-9 ]", "120-72-9"}}, {204.0894, 1.2753054, "Meta"} -> 
    {{3.88*^7, 4.13*^7, 3.75*^7}, {"Tryptophan [ C11 H12 N2 O2, db=95.92, \
overall=47.96, KEGG ID=C00078, CAS ID=73-22-3 ]", "73-22-3"}}, 
   {187.0628, 1.2740554, "Meta"} -> {{9582100, 1.04*^7, 9484055}, 
     {"Indoleacrylic acid [ C11 H9 N O2, db=97.72, overall=48.86, HMP \
ID=HMDB00734, KEGG ID=, CAS ID=1204-06-4 ]", "1204-06-4"}}, 
   {650.2158, 1.2843436, "Meta"} -> {{33790, 40319, 35533}, {"", ""}}, 
   {302.0588, 1.2867241, "Meta"} -> {{69862, 84673, 36041}, {"", ""}}, 
   {276.0543, 1.4092578, "Meta"} -> {{69649, 69107, 60982}, {"", ""}}, 
   {291.0175, 1.4124061, "Meta"} -> {{60835, 53647, 54850}, {"", ""}}, 
   {230.1631, 1.4211999, "Meta"} -> {{39124, 49426, 1}, 
     {"Leu Val [ C11 H22 N2 O3, db=83.67, overall=41.83 ]", ""}}, 
   {280.1058, 1.5567034, "Meta"} -> {{106510, 108586, 106968}, 
     {"Phe Asp [ C13 H16 N2 O5, db=70.05, overall=35.02 ]", ""}}, 
   {366.1426, 1.5676208, "Meta"} -> {{1, 1, 149106}, {"", ""}}, 
   {157.11, 1.5776898, "Meta"} -> {{18896, 1, 55179}, 
     {"Tranexamic acid [ C8 H15 N O2, db=74.57, overall=37.29, KEGG \
ID=C12535, CAS ID=1197-18-8 ]", "1197-18-8"}}, 
   {219.1104, 1.6220001, "Meta"} -> {{24920, 48697, 42123}, 
     {"Pantothenic Acid [ C9 H17 N O5, db=55.18, overall=27.59, KEGG ID=, CAS \
ID=137-08-6 ]", "137-08-6"}}, {260.1369, 1.7801199, "Meta"} -> 
    {{1, 101808, 1}, {"Glu Leu [ C11 H20 N2 O5, db=77.86, overall=38.93 ]", 
      ""}}, {208.0161, 1.9748787, "Meta"} -> {{612620, 56559, 406784}, 
     {"", ""}}, {260.1368, 1.9889677, "Meta"} -> {{89215, 110901, 84041}, 
     {"Glu Leu [ C11 H20 N2 O5, db=90.71, overall=45.35 ]", ""}}, 
   {131.0368, 2.0663033, "Meta"} -> {{346793, 1, 543662}, {"", ""}}, 
   {613.3187, 2.414278, "Meta"} -> {{135273, 153072, 160861}, {"", ""}}, 
   {294.1216, 2.470125, "Meta"} -> {{16814, 18544, 34669}, 
     {"Aspartame [ C14 H18 N2 O5, db=72.39, overall=36.19, HMP ID=HMDB01894, \
KEGG ID= ]", ""}}, {245.1627, 2.565185, "Meta"} -> 
    {{358385, 385930, 354114}, {"2-Methylbutyroylcarnitine [ C12 H23 N O4, \
db=86.34, overall=43.17, HMP ID=HMDB00378, KEGG ID= ]", ""}}, 
   {246.1366, 2.6443236, "Meta"} -> {{249303, 241672, 109028}, {"", ""}}, 
   {159.1255, 2.8531144, "Meta"} -> {{176728, 185811, 181529}, 
     {"DL-2-Aminooctanoic acid [ C8 H17 N O2, db=83.22, overall=41.61, HMP \
ID=HMDB00991, KEGG ID= ]", ""}}, {294.2798, 2.8666072, "Meta"} -> 
    {{1, 266104, 1}, {"", ""}}, {129.1512, 2.8755276, "Meta"} -> 
    {{8893076, 1.28*^7, 8371383}, {"", ""}}, {179.0578, 2.9460568, "Meta"} -> 
    {{523287, 556960, 424681}, {"5,8-Dihydroxy-3,4-dihydrocarbostyril [ C9 H9 \
N O3, db=94.87, overall=47.43, KEGG ID=, CAS ID=59430-56-7 ]", 
      "59430-56-7"}}, {457.2172, 3.21976, "Meta"} -> 
    {{66522, 93665, 79477}, 
     {"Leu Tyr Tyr [ C24 H31 N3 O6, db=60.12, overall=30.06 ]", ""}}, 
   {113.0839, 3.4427686, "Meta"} -> {{193107, 1, 159208}, {"", ""}}, 
   {457.2171, 3.449129, "Meta"} -> {{96873, 123479, 108067}, 
     {"Leu Tyr Tyr [ C24 H31 N3 O6, db=66.31, overall=33.16 ]", ""}}, 
   {353.0194, 3.4831946, "Meta"} -> {{97530, 96522, 82877}, 
     {"H 152/66 [ C16 H13 Cl2 N O4, db=34.19, overall=17.09, KEGG ID=, CAS \
ID=91854-02-3 ]", "91854-02-3"}}, {180.0646, 3.4828331, "Meta"} -> 
    {{2051109, 2574248, 2071703}, {"Paraxanthine [ C7 H8 N4 O2, db=97.04, \
overall=48.52, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {338.0584, 3.4828844, "Meta"} -> {{58636, 62143, 62686}, {"", ""}}, 
   {184.1207, 3.5528529, "Meta"} -> {{295647, 306268, 308552}, {"", ""}}, 
   {286.0929, 3.6669033, "Meta"} -> {{461677, 476464, 500051}, 
     {"5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin [ C15 H14 \
N2 O4, db=80.32, overall=40.16, KEGG ID=, CAS ID=28129-90-0 ]", 
      "28129-90-0"}}, {262.1315, 3.6955454, "Meta"} -> 
    {{84429, 83560, 76361}, 
     {"Pro Phe [ C14 H18 N2 O3, db=79.05, overall=39.52 ]", ""}}, 
   {484.3516, 3.714577, "Meta"} -> {{1, 1, 54170}, {"(22S)-1alpha,25-dihydrox\
y-22-ethoxy-26,27-dimethyl-23,24-tetradehydro-20-epivitamin D3 / (22S)-1alph \
[ C31 H48 O4, db=68.14, overall=34.07, Lipid ID=LMST03020487, KEGG ID= ]", 
      ""}}, {264.1109, 3.7114289, "Meta"} -> {{1733457, 2049425, 1908751}, 
     {"", ""}}, {300.9474, 3.7771254, "Meta"} -> {{71407, 1, 60495}, 
     {"", ""}}, {285.9843, 3.784971, "Meta"} -> {{175593, 174030, 167259}, 
     {"", ""}}, {406.0258, 3.779679, "Meta"} -> {{80466, 89794, 68731}, 
     {"", ""}}, {346.0054, 3.7820883, "Meta"} -> {{342047, 337040, 317149}, 
     {"", ""}}, {390.0608, 3.9207745, "Meta"} -> {{32690, 1, 1}, {"", ""}}, 
   {194.1056, 3.9298828, "Meta"} -> {{83101, 133989, 89922}, 
     {"3-Hydroxy-N-glycyl-2,6-xylidine (3-Hydroxyglycinexylidide) [ C10 H14 \
N2 O2, db=79.20, overall=39.60, KEGG ID=, CAS ID=112606-87-8 ]", 
      "112606-87-8"}}, {123.0431, 3.9404666, "Meta"} -> 
    {{45981, 48141, 1}, {"Pyrazinamide [ C5 H5 N3 O, db=73.22, overall=36.61, \
KEGG ID=C01956, CAS ID=98-96-4 ]", "98-96-4"}}, 
   {180.0647, 3.9408891, "Meta"} -> {{1904695, 2013321, 1849942}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=98.66, overall=49.33, KEGG ID=, CAS \
ID=611-59-6 ]", "611-59-6"}}, {353.02, 3.9439723, "Meta"} -> 
    {{35023, 34448, 31984}, {"H 152/66 [ C16 H13 Cl2 N O4, db=40.19, \
overall=20.09, KEGG ID=, CAS ID=91854-02-3 ]", "91854-02-3"}}, 
   {338.06, 3.9440384, "Meta"} -> {{1, 1, 1}, {"1-(5'-Phosphoribosyl)-5-amino\
-4-imidazolecarboxamide (AICAR) [ C9 H15 N4 O8 P, db=56.82, overall=28.41, \
KEGG ID=C04677, CAS ID=3031-94-5 ]", "3031-94-5"}}, 
   {282.0003, 4.0873055, "Meta"} -> {{187320, 203035, 191072}, {"", ""}}, 
   {244.1785, 4.1058927, "Meta"} -> {{81411, 92938, 84346}, 
     {"Leu Leu [ C12 H24 N2 O3, db=80.30, overall=40.15 ]", ""}}, 
   {315.2042, 4.138722, "Meta"} -> {{186770, 337148, 339492}, {"", ""}}, 
   {180.0646, 4.184583, "Meta"} -> {{423802, 456488, 421164}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=96.10, overall=48.05, KEGG ID=, CAS \
ID=611-59-6 ]", "611-59-6"}}, {196.1205, 4.4604373, "Meta"} -> 
    {{1, 35789, 29430}, {"", ""}}, {259.1781, 4.5265555, "Meta"} -> 
    {{43340, 1, 1}, {"L-Glutamic acid dibutyl ester [ C13 H25 N O4, db=69.80, \
overall=34.90, KEGG ID=, CAS ID=4261-76-1 ]", "4261-76-1"}}, 
   {278.1625, 4.5463552, "Meta"} -> {{32508, 1, 19965}, 
     {"Phe Leu [ C15 H22 N2 O3, db=77.05, overall=38.53 ]", ""}}, 
   {196.1206, 4.620389, "Meta"} -> {{134640, 144454, 104741}, {"", ""}}, 
   {145.0523, 4.6313715, "Meta"} -> {{150211, 175803, 188358}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=73.77, overall=36.88, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {221.0685, 4.632059, "Meta"} -> 
    {{57408, 66949, 55416}, {"5-Carboxymethoxy-3,4-dihydrocarbostyril [ C11 \
H11 N O4, db=64.45, overall=32.22, KEGG ID=, CAS ID=58898-50-3 ]", 
      "58898-50-3"}}, {399.1795, 4.9157567, "Meta"} -> 
    {{14149, 18780, 14695}, 
     {"Tyr Ala Phe [ C21 H25 N3 O5, db=71.49, overall=35.75 ]", ""}}, 
   {185.1049, 4.9669666, "Meta"} -> {{1, 1, 1}, {"Ecgonine [ C9 H15 N O3, \
db=77.31, overall=38.66, KEGG ID=, CAS ID=481-37-8 ]", "481-37-8"}}, 
   {649.3074, 5.013072, "Meta"} -> {{23300, 25288, 23368}, {"", ""}}, 
   {278.163, 5.0759177, "Meta"} -> {{365743, 380286, 354507}, 
     {"Phe Leu [ C15 H22 N2 O3, db=99.27, overall=49.64 ]", ""}}, 
   {535.2641, 5.1008615, "Meta"} -> {{72386, 79097, 74228}, {"", ""}}, 
   {904.4772, 5.3270283, "Meta"} -> {{1048821, 1147403, 1063972}, {"", ""}}, 
   {145.0523, 5.4314723, "Meta"} -> {{168353, 176648, 211851}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=84.42, overall=42.21, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {129.0576, 5.434444, "Meta"} -> 
    {{351346, 414103, 434232}, {"", ""}}, {273.0317, 5.4347143, "Meta"} -> 
    {{30064, 26835, 20481}, {"", ""}}, {175.0629, 5.4345837, "Meta"} -> 
    {{358912, 298490, 244751}, {"3-Indoleacetic Acid [ C10 H9 N O2, db=84.76, \
overall=42.38, KEGG ID=C00954, CAS ID=87-51-4 ]", "87-51-4"}}, 
   {163.063, 5.4345, "Meta"} -> {{30699, 37496, 33599}, 
     {"p-Acetaminobenzaldehyde [ C9 H9 N O2, db=64.35, overall=32.17, KEGG \
ID=, CAS ID=122-85-0 ]", "122-85-0"}}, {317.1736, 5.4687505, "Meta"} -> 
    {{29798, 28944, 26259}, 
     {"Leu Trp [ C17 H23 N3 O3, db=81.63, overall=40.81 ]", ""}}, 
   {780.393, 5.47776, "Meta"} -> {{1, 1, 1}, {"25-O-Desacetylrifampin [ C41 \
H56 N4 O11, db=84.35, overall=42.18, KEGG ID=, CAS ID=16783-99-6 ]", 
      "16783-99-6"}}, {506.2009, 5.4841557, "Meta"} -> 
    {{55815, 72850, 68258}, {"", ""}}, {351.1581, 5.5261106, "Meta"} -> 
    {{319623, 331868, 285369}, 
     {"Trp Phe [ C20 H21 N3 O3, db=99.58, overall=49.79 ]", ""}}, 
   {462.2364, 5.543243, "Meta"} -> {{39707, 35268, 31098}, {"", ""}}, 
   {119.0735, 5.541345, "Meta"} -> {{150670, 237523, 207148}, {"", ""}}, 
   {312.1467, 5.5432773, "Meta"} -> {{8451585, 9424608, 8622535}, 
     {"Phe Phe [ C18 H20 N2 O3, db=95.14, overall=47.57 ]", ""}}, 
   {112.0524, 5.5669603, "Meta"} -> {{1, 1, 1}, {"3,5-hexadienoic acid [ C6 \
H8 O2, db=60.24, overall=30.12, Lipid ID=, KEGG ID= ]", ""}}, 
   {415.2207, 5.670666, "Meta"} -> {{1, 16799, 1}, 
     {"Phe Leu His [ C21 H29 N5 O4, db=66.52, overall=33.26 ]", ""}}, 
   {145.0523, 5.7114286, "Meta"} -> {{45600, 28234, 33841}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=58.30, overall=29.15, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {470.2164, 5.740111, "Meta"} -> 
    {{43745, 47604, 47503}, {"", ""}}, {486.1287, 5.7655144, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {814.2692, 5.7653933, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {352.0723, 5.766555, "Meta"} -> 
    {{75008, 81322, 74798}, {"Griseofulvin [ C17 H17 Cl O6, db=62.45, \
overall=31.22, KEGG ID=C06686, CAS ID=126-07-8 ]", "126-07-8"}}, 
   {561.114, 5.765363, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {367.0347, 5.766611, "Meta"} -> {{77832, 73988, 58035}, 
     {"H 167/87 [ C17 H15 Cl2 N O4, db=30.19, overall=15.10, KEGG ID=, CAS \
ID=91854-01-2 ]", "91854-01-2"}}, {137.0587, 5.7666464, "Meta"} -> 
    {{1, 84501, 1}, {"Isoniazid [ C6 H7 N3 O, db=85.82, overall=42.91, KEGG \
ID=C07054, CAS ID=54-85-3 ]", "54-85-3"}}, {680.2204, 5.7653627, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {194.0796, 5.7665, "Meta"} -> 
    {{5403256, 5633943, 5264350}, {"D-Glucoside [ C7 H14 O6, db=97.63, \
overall=48.82, HMP ID=HMDB03570, KEGG ID= ]", ""}}, 
   {292.0482, 5.7668047, "Meta"} -> {{38078, 36517, 31740}, {"", ""}}, 
   {427.0664, 5.7660594, "Meta"} -> {{13666, 1, 1}, {"", ""}}, 
   {308.021, 5.7663703, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {336.0987, 5.766, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {339.0394, 5.7657404, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {276.0943, 5.767443, "Meta"} -> {{103173, 105605, 104155}, 
     {"Glu Glu [ C10 H16 N2 O7, db=91.86, overall=45.93 ]", ""}}, 
   {546.167, 5.766311, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {82.0146, 5.7676473, "Meta"} -> {{187284, 213065, 197648}, {"", ""}}, 
   {450.2112, 6.0146294, "Meta"} -> {{47337, 53284, 50527}, {"", ""}}, 
   {598.3831, 6.149971, "Meta"} -> {{92866, 91749, 36419}, {"", ""}}, 
   {210.1363, 6.1674, "Meta"} -> {{101621, 97642, 108864}, {"", ""}}, 
   {1076.5251, 6.1918607, "Meta"} -> {{441227, 497756, 446736}, {"", ""}}, 
   {285.1937, 6.2077217, "Meta"} -> {{146168, 77932, 45765}, {"", ""}}, 
   {413.1947, 6.402389, "Meta"} -> {{39130, 42633, 36724}, 
     {"Phe Phe Thr [ C22 H27 N3 O5, db=96.85, overall=48.42 ]", ""}}, 
   {210.1363, 6.4091425, "Meta"} -> {{93827, 75542, 76613}, {"", ""}}, 
   {171.1256, 6.4184237, "Meta"} -> {{358262, 374770, 362249}, 
     {"Gabapentin [ C9 H17 N O2, db=89.41, overall=44.71, KEGG ID=C07018, CAS \
ID=60142-96-3 ]", "60142-96-3"}}, {225.134, 6.4274607, "Meta"} -> 
    {{169796, 1, 189853}, {"", ""}}, {464.2267, 6.4558063, "Meta"} -> 
    {{61686, 63970, 57934}, {"", ""}}, {636.2752, 6.4700866, "Meta"} -> 
    {{28323, 31583, 29685}, 
     {" [ C34 H40 N2 O10, db=0.00, overall=30.97, mfg=61.94 ]", ""}}, 
   {401.8564, 6.4737997, "Meta"} -> {{97521, 70402, 69601}, {"", ""}}, 
   {1205.5684, 6.4744167, "Meta"} -> {{1254125, 1114677, 991009}, {"", ""}}, 
   {650.291, 6.4855704, "Meta"} -> {{61729, 69267, 1}, {"", ""}}, 
   {1072.4163, 6.52011, "Meta"} -> {{68342, 50573, 38911}, {"", ""}}, 
   {1019.5046, 6.519862, "Meta"} -> {{2515889, 2618771, 2462259}, {"", ""}}, 
   {339.8352, 6.519917, "Meta"} -> {{1, 1, 58893}, {"", ""}}, 
   {370.2202, 6.5523853, "Meta"} -> {{12148, 1, 16064}, {"", ""}}, 
   {393.1896, 6.6016774, "Meta"} -> {{81283, 81511, 78088}, 
     {"Phe Leu Asp [ C19 H27 N3 O6, db=93.55, overall=46.78 ]", ""}}, 
   {1262.5898, 6.6459446, "Meta"} -> {{447721, 492327, 405038}, {"", ""}}, 
   {748.3746, 6.6664577, "Meta"} -> {{387551, 414645, 321069}, {"", ""}}, 
   {467.5117, 6.6833715, "Meta"} -> {{15131, 1, 11657}, {"", ""}}, 
   {449.8743, 6.681861, "Meta"} -> {{73834, 84657, 66223}, {"", ""}}, 
   {1349.622, 6.682221, "Meta"} -> {{608773, 630971, 615208}, {"", ""}}, 
   {462.5233, 6.6829696, "Meta"} -> {{1, 1, 34044}, {"", ""}}, 
   {467.8464, 6.68125, "Meta"} -> {{14973, 1, 1}, {"", ""}}, 
   {457.2013, 6.682588, "Meta"} -> {{16081, 1, 13343}, {"", ""}}, 
   {1076.5258, 6.7304854, "Meta"} -> {{45223, 52623, 47867}, {"", ""}}, 
   {298.1418, 6.74896, "Meta"} -> {{100904, 1, 1}, {"Idebenone Metabolite \
(Benzenehexanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, \
db=73.54, overall=36.77, KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {1200.5566, 6.7732415, "Meta"} -> {{11865, 1, 1}, {"", ""}}, 
   {741.297, 6.7771387, "Meta"} -> {{86737, 91185, 89750}, {"", ""}}, 
   {189.0785, 6.956638, "Meta"} -> {{544591, 541482, 464204}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=94.09, overall=47.05, HMP \
ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {429.2361, 6.977999, "Meta"} -> {{76441, 70766, 37599}, 
     {"Pro Trp Lys [ C22 H31 N5 O4, db=90.19, overall=45.09 ]", ""}}, 
   {260.0935, 7.0326056, "Meta"} -> {{197452, 141482, 198103}, 
     {"Furafylline [ C12 H12 N4 O3, db=57.24, overall=28.62, KEGG ID=, CAS \
ID=80288-49-9 ]", "80288-49-9"}}, {179.1517, 7.0339313, "Meta"} -> 
    {{128792, 91896, 146884}, {"", ""}}, {162.1254, 7.032972, "Meta"} -> 
    {{4039041, 2875833, 4105210}, {"", ""}}, {386.884, 7.089772, "Meta"} -> 
    {{85759, 153879, 64337}, {"", ""}}, {339.9438, 7.090166, "Meta"} -> 
    {{126371, 161754, 103574}, {"", ""}}, {165.9783, 7.0914993, "Meta"} -> 
    {{1, 282794, 1}, {"", ""}}, {324.978, 7.0900297, "Meta"} -> 
    {{34226, 71259, 31035}, {"", ""}}, {389.8912, 7.089734, "Meta"} -> 
    {{30383, 55441, 1}, {"", ""}}, {554.8763, 7.0902586, "Meta"} -> 
    {{1, 647905, 188731}, {"", ""}}, {590.8546, 7.090121, "Meta"} -> 
    {{1, 231875, 1}, {"", ""}}, {166.9861, 7.0904727, "Meta"} -> 
    {{3879459, 7538691, 3914640}, {"", ""}}, {280.9265, 7.090501, "Meta"} -> 
    {{1, 156775, 77920}, {"", ""}}, {264.9547, 7.0911846, "Meta"} -> 
    {{19089, 42458, 1}, {"", ""}}, {395.8936, 7.0915, "Meta"} -> 
    {{71343, 78851, 52641}, {"", ""}}, {431.8628, 7.0915837, "Meta"} -> 
    {{1, 47181, 1}, {"", ""}}, {624.9684, 7.1091247, "Meta"} -> 
    {{1, 18184, 1}, {"", ""}}, {534.1705, 7.1183324, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {354.0646, 7.1213336, "Meta"} -> 
    {{39978, 39047, 37980}, {"", ""}}, {238.0838, 7.121195, "Meta"} -> 
    {{411130, 442541, 423496}, {"Propanoic acid, \
2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- [ C12 H14 O5, db=99.24, \
overall=49.62, KEGG ID=, CAS ID=53564-64-0 ]", "53564-64-0"}}, 
   {278.0763, 7.119251, "Meta"} -> {{189661, 263690, 191351}, {"", ""}}, 
   {351.0169, 7.127134, "Meta"} -> {{25065, 18429, 1}, {"", ""}}, 
   {1560.7216, 7.157438, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {941.4612, 7.1827216, "Meta"} -> {{107469, 116411, 101832}, {"", ""}}, 
   {299.2095, 7.264514, "Meta"} -> {{33976, 37109, 35125}, {"", ""}}, 
   {270.1572, 7.337296, "Meta"} -> {{1, 1, 23630}, {"", ""}}, 
   {280.1885, 7.331959, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {361.1425, 7.353097, "Meta"} -> {{33462, 24737, 28225}, 
     {"N-Acetylnorfloxacin [ C18 H20 F N3 O4, db=74.33, overall=37.17, KEGG \
ID=, CAS ID=74011-56-6 ]", "74011-56-6"}}, {309.194, 7.3625283, "Meta"} -> 
    {{80479, 59963, 46764}, {"Nadolol [ C17 H27 N O4, db=98.01, \
overall=49.00, KEGG ID=C07249, CAS ID=42200-33-9 ]", "42200-33-9"}}, 
   {920.4221, 7.436666, "Meta"} -> {{207595, 225536, 209903}, {"", ""}}, 
   {287.2094, 7.4803905, "Meta"} -> {{164510, 100431, 68524}, 
     {"O-octanoyl-R-carnitine [ C15 H29 N O4, db=84.96, overall=42.48, Lipid \
ID=, KEGG ID=C02838 ]", ""}}, {206.1518, 7.485084, "Meta"} -> 
    {{45917, 48651, 116259}, {"", ""}}, {174.0887, 7.533999, "Meta"} -> 
    {{691078, 629402, 911037}, {"2-Propylglutaric acid [ C8 H14 O4, db=96.02, \
overall=48.01, KEGG ID=, CAS ID=32806-62-5 ]", "32806-62-5"}}, 
   {142.0625, 7.5357056, "Meta"} -> {{170905, 158022, 245767}, 
     {"7-hydroxy-5-heptynoic acid [ C7 H10 O3, db=91.50, overall=45.75, Lipid \
ID=, KEGG ID= ]", ""}}, {833.3582, 7.620576, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {182.0914, 7.628904, "Meta"} -> 
    {{36120, 38197, 39262}, {"Dacarbazine [ C6 H10 N6 O, db=63.87, \
overall=31.94, KEGG ID=C06936, CAS ID=4342-03-4 ]", "3/4/42"}}, 
   {1389.6527, 7.619026, "Meta"} -> {{47696, 87072, 88425}, {"", ""}}, 
   {170.1415, 7.7676864, "Meta"} -> {{59624, 87402, 78165}, {"", ""}}, 
   {1193.519, 7.7542224, "Meta"} -> {{177136, 208141, 210596}, {"", ""}}, 
   {318.1216, 7.8365397, "Meta"} -> {{65069, 13959, 23159}, 
     {"Fluvoxamine acid [ C14 H17 F3 N2 O3, db=57.11, overall=28.55, KEGG \
ID=, CAS ID=84692-89-7 ]", "84692-89-7"}}, {432.8377, 7.851473, "Meta"} -> 
    {{27080, 27598, 24764}, {"", ""}}, {433.1729, 7.8523235, "Meta"} -> 
    {{19645, 21291, 17979}, {"", ""}}, {1245.5992, 7.851389, "Meta"} -> 
    {{1602657, 2057904, 1919202}, {"", ""}}, {415.2002, 7.8513994, "Meta"} -> 
    {{136001, 164499, 146645}, {"", ""}}, {428.1836, 7.8517575, "Meta"} -> 
    {{40213, 39875, 46750}, 
     {"Ser Trp His [ C20 H24 N6 O5, db=49.60, overall=24.80 ]", ""}}, 
   {1298.5118, 7.8517423, "Meta"} -> {{49431, 76564, 63266}, {"", ""}}, 
   {863.401, 7.871555, "Meta"} -> {{856810, 913202, 844454}, {"", ""}}, 
   {916.3146, 7.8727407, "Meta"} -> {{71055, 71504, 57511}, {"", ""}}, 
   {189.0785, 7.8873053, "Meta"} -> {{78847, 79625, 74356}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=68.09, overall=34.05, HMP \
ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {185.1414, 7.8914566, "Meta"} -> {{121505, 169796, 179673}, 
     {"N-methyl-Gabapentin [ C10 H19 N O2, db=74.42, overall=37.21, KEGG ID=, \
CAS ID=102937-74-6 ]", "102937-74-6"}}, {208.0732, 8.064808, "Meta"} -> 
    {{1, 1, 1}, {"2,5-Dimethoxycinnamic acid [ C11 H12 O4, db=79.88, \
overall=39.94, HMP ID=HMDB02370, KEGG ID= ]", ""}}, 
   {318.1217, 8.112399, "Meta"} -> {{66154, 22597, 33512}, 
     {"Fluvoxamine acid [ C14 H17 F3 N2 O3, db=51.04, overall=25.52, KEGG \
ID=, CAS ID=84692-89-7 ]", "84692-89-7"}}, {186.1189, 8.142306, "Meta"} -> 
    {{430226, 450343, 355586}, {"", ""}}, {415.3079, 8.180323, "Meta"} -> 
    {{25706, 24110, 1}, {"", ""}}, {301.2252, 8.18464, "Meta"} -> 
    {{56961, 61921, 53350}, {"", ""}}, {210.0888, 8.229969, "Meta"} -> 
    {{59085, 71113, 50892}, {"Methoxyhydroxymethylhydrocinnamic acid [ C11 \
H14 O4, db=76.31, overall=38.15, KEGG ID=, CAS ID=53832-93-2 ]", 
      "53832-93-2"}}, {619.2852, 8.249543, "Meta"} -> 
    {{56767, 66078, 78716}, 
     {" [ C34 H41 N3 O8, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {301.2252, 8.364499, "Meta"} -> {{40936, 52145, 42238}, {"", ""}}, 
   {224.1042, 8.49708, "Meta"} -> {{1, 1, 22608}, {"", ""}}, 
   {222.0865, 8.595155, "Meta"} -> {{1, 19006, 1}, {"", ""}}, 
   {538.2428, 8.63658, "Meta"} -> {{17051, 21670, 20955}, {"", ""}}, 
   {289.1346, 8.648037, "Meta"} -> {{41236, 22014, 23637}, {"", ""}}, 
   {332.1369, 8.648942, "Meta"} -> {{98593, 226466, 349651}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=83.61, \
overall=41.80, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {247.1604, 8.659072, "Meta"} -> {{72974, 81210, 79205}, {"", ""}}, 
   {1395.5562, 8.677833, "Meta"} -> {{1115229, 1644319, 1555967}, {"", ""}}, 
   {1237.4865, 8.679944, "Meta"} -> {{645527, 990198, 946619}, {"", ""}}, 
   {1290.4019, 8.679688, "Meta"} -> {{75976, 1, 70990}, {"", ""}}, 
   {1059.5352, 8.717444, "Meta"} -> {{109387, 174636, 159005}, {"", ""}}, 
   {201.1364, 8.713065, "Meta"} -> {{25594, 52291, 45389}, 
     {"Capryloylglycine [ C10 H19 N O3, db=67.21, overall=33.61, HMP \
ID=HMDB00832, KEGG ID= ]", ""}}, {302.1881, 8.721181, "Meta"} -> 
    {{1, 1, 1}, {"2-Methoxyestradiol [ C19 H26 O3, db=78.62, overall=39.31, \
HMP ID=HMDB00405, KEGG ID= ]", ""}}, {496.2306, 8.726456, "Meta"} -> 
    {{19849, 21290, 17646}, {"", ""}}, {594.2002, 8.727458, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {332.1369, 8.780612, "Meta"} -> 
    {{508575, 596344, 721331}, {"Flecainide meta-O-dealkylated [ C15 H19 F3 \
N2 O3, db=85.03, overall=42.52, KEGG ID=, CAS ID=83526-33-4 ]", 
      "83526-33-4"}}, {430.1107, 8.796733, "Meta"} -> 
    {{30434, 49388, 60174}, {"", ""}}, {300.1108, 8.80197, "Meta"} -> 
    {{128920, 216089, 263043}, {"", ""}}, {313.2252, 8.7906, "Meta"} -> 
    {{113543, 73419, 25724}, {"", ""}}, {286.2617, 8.82916, "Meta"} -> 
    {{48362, 40503, 44907}, {"", ""}}, {346.1526, 8.849605, "Meta"} -> 
    {{26171, 48748, 63824}, {"", ""}}, {215.1519, 8.867749, "Meta"} -> 
    {{114026, 104655, 133388}, {"", ""}}, {224.1021, 8.969444, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {223.1208, 8.969972, "Meta"} -> 
    {{17956, 26660, 22502}, {"Rimiterol [ C12 H17 N O3, db=47.61, \
overall=23.81, KEGG ID=, CAS ID=32953-89-2 ]", "32953-89-2"}}, 
   {196.1092, 8.977416, "Meta"} -> {{1, 1, 1}, {"Benzenemethanol, \
2-(2-aminopropoxy)-3-methyl- [ C11 H16 O3, db=59.23, overall=29.61, KEGG ID=, \
CAS ID=64111-04-2 ]", "64111-04-2"}}, {253.165, 9.127285, "Meta"} -> 
    {{213970, 191009, 162258}, {"", ""}}, {199.157, 9.126751, "Meta"} -> 
    {{537302, 518398, 538748}, {"", ""}}, {1089.4962, 9.145666, "Meta"} -> 
    {{382682, 576988, 535827}, {"", ""}}, {346.1526, 9.17123, "Meta"} -> 
    {{17601, 33128, 43655}, {"", ""}}, {181.1102, 9.210125, "Meta"} -> 
    {{66416, 68215, 1}, {"2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- \
Metabolite [ C10 H15 N O2, db=76.98, overall=38.49, KEGG ID=, CAS ID= ]", 
      ""}}, {382.2563, 9.247962, "Meta"} -> {{52607, 1, 42707}, 
     {"C17 Sphingosine-1-phosphate [ C17 H39 N2 O5 P, db=59.88, \
overall=29.94, Lipid ID=LMSP01040004, KEGG ID= ]", ""}}, 
   {592.3259, 9.304143, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {298.1321, 9.309667, "Meta"} -> {{65001, 38032, 29367}, {"", ""}}, 
   {411.1791, 9.316696, "Meta"} -> {{50153, 27061, 33700}, 
     {"Tyr Val Met [ C19 H29 N3 O5 S, db=58.11, overall=29.06 ]", ""}}, 
   {332.1369, 9.345439, "Meta"} -> {{27519, 45634, 50687}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=61.66, \
overall=30.83, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {189.1184, 9.360473, "Meta"} -> {{488416, 44857, 128288}, {"", ""}}, 
   {211.1571, 9.3698, "Meta"} -> {{41106, 56118, 48003}, {"", ""}}, 
   {196.1076, 9.373194, "Meta"} -> {{116497, 1, 1}, {"", ""}}, 
   {343.2259, 9.375806, "Meta"} -> {{21443, 12614, 1}, 
     {"dibucaine [ C20 H29 N3 O2, db=78.46, overall=39.23, KEGG ID=, CAS \
ID=85-79-0 ]", "85-79-0"}}, {594.3415, 9.429972, "Meta"} -> 
    {{16381, 14470, 14796}, {"L-Urobilin [ C33 H46 N4 O6, db=97.19, \
overall=48.59, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {202.1203, 9.477693, "Meta"} -> {{1, 75974, 1}, {"sebacic acid [ C10 H18 \
O4, db=70.07, overall=35.04, KEGG ID=C08277, CAS ID=111-20-6 ]", 
      "111-20-6"}}, {254.1153, 9.500695, "Meta"} -> 
    {{60496, 70157, 60297}, {"methyl \
4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ C13 H18 O5, \
db=77.56, overall=38.78, Lipid ID=, KEGG ID= ]", ""}}, 
   {640.2432, 9.499125, "Meta"} -> {{1, 1, 1}, {"5-Methyltetrahydropteroyltri\
-L-glutamate [ C25 H36 N8 O12, db=61.28, overall=30.64, KEGG ID=C04489, CAS \
ID= ]", ""}}, {564.2544, 9.498889, "Meta"} -> {{34561, 38340, 34647}, 
     {"", ""}}, {330.2192, 9.5008, "Meta"} -> {{28435, 20565, 1}, 
     {"Gestodene metabolite 2 [ C21 H30 O3, db=68.18, overall=34.09, KEGG \
ID=, CAS ID= ]", ""}}, {262.12, 9.519543, "Meta"} -> 
    {{1, 62730, 52912}, {"Artemisin [ C15 H18 O4, db=68.17, overall=34.08, \
Lipid ID=LMPR01030020, KEGG ID=C09344 ]", ""}}, 
   {264.1357, 9.516806, "Meta"} -> {{119301, 91345, 143634}, {"", ""}}, 
   {327.2406, 9.530406, "Meta"} -> {{69718, 1, 1}, {"", ""}}, 
   {463.184, 9.53997, "Meta"} -> {{90795, 119097, 73322}, 
     {"Ritodrine glucuronide [ C23 H29 N O9, db=95.20, overall=47.60, KEGG \
ID=, CAS ID=129464-58-0 ]", "129464-58-0"}}, {273.1762, 9.569387, "Meta"} -> 
    {{56342, 59410, 55945}, {"", ""}}, {327.2405, 9.610461, "Meta"} -> 
    {{66055, 65765, 48480}, {"", ""}}, {273.1762, 9.6855, "Meta"} -> 
    {{86318, 97264, 93416}, {"", ""}}, {360.1935, 9.683611, "Meta"} -> 
    {{51656, 70925, 63374}, {"Aldosterone [ C21 H28 O5, db=80.00, \
overall=40.00, KEGG ID=, CAS ID=52-39-1 ]", "52-39-1"}}, 
   {238.1201, 9.702206, "Meta"} -> {{18398, 256421, 111541}, {"", ""}}, 
   {520.202, 9.758688, "Meta"} -> {{12445, 1, 11828}, {"", ""}}, 
   {422.2412, 9.75828, "Meta"} -> {{146098, 138900, 127417}, {"", ""}}, 
   {362.2091, 9.759223, "Meta"} -> {{349163, 350106, 333194}, 
     {"20alpha-Dihydroprednisolone [ C21 H30 O5, db=80.45, overall=40.22, \
KEGG ID=, CAS ID=15847-24-2 ]", "15847-24-2"}}, 
   {346.214, 9.791315, "Meta"} -> {{22325, 23194, 23973}, 
     {"Corticosterone [ C21 H30 O4, db=61.19, overall=30.59, HMP \
ID=HMDB01547, KEGG ID= ]", ""}}, {638.2274, 9.789353, "Meta"} -> 
    {{19633, 14481, 13306}, {"", ""}}, {346.1525, 9.793889, "Meta"} -> 
    {{190116, 225951, 186213}, {"", ""}}, {562.2387, 9.788788, "Meta"} -> 
    {{50420, 40812, 39870}, {"", ""}}, {557.2833, 9.790912, "Meta"} -> 
    {{13948, 14805, 17063}, {"", ""}}, {510.2462, 9.815877, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {229.1674, 9.85191, "Meta"} -> 
    {{44368, 44995, 50814}, {"", ""}}, {548.2599, 9.858362, "Meta"} -> 
    {{24056, 25427, 22957}, {"", ""}}, {504.2344, 9.858466, "Meta"} -> 
    {{1, 24804, 1}, {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, \
db=72.48, overall=36.24, KEGG ID=, CAS ID= ]", ""}}, 
   {470.3088, 9.879321, "Meta"} -> {{1, 42291, 29588}, {"", ""}}, 
   {550.2021, 9.877315, "Meta"} -> {{1, 12314, 12549}, {"", ""}}, 
   {346.1525, 9.904173, "Meta"} -> {{167810, 214672, 201366}, {"", ""}}, 
   {238.0238, 9.941334, "Meta"} -> {{99309, 97002, 53565}, {"", ""}}, 
   {396.272, 9.949917, "Meta"} -> {{1, 46943, 1}, {"", ""}}, 
   {352.1786, 9.951111, "Meta"} -> {{79551, 119615, 108142}, {"", ""}}, 
   {244.0709, 9.960057, "Meta"} -> {{59804, 49027, 62773}, 
     {"Uridine [ C9 H12 N2 O6, db=67.18, overall=33.59, KEGG ID=C00299, CAS \
ID=58-96-8 ]", "58-96-8"}}, {238.1185, 9.979892, "Meta"} -> 
    {{11872, 1, 1}, {"", ""}}, {330.1981, 9.977964, "Meta"} -> 
    {{1, 49902, 31149}, 
     {"Val Arg Gly [ C13 H26 N6 O4, db=57.73, overall=28.86 ]", ""}}, 
   {284.0936, 9.975928, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {463.2106, 10.027572, "Meta"} -> {{14108, 1, 1}, {"", ""}}, 
   {314.1266, 10.0307455, "Meta"} -> {{96264, 139928, 153578}, {"", ""}}, 
   {314.2933, 10.043069, "Meta"} -> {{42328, 48514, 1}, {"", ""}}, 
   {285.1574, 10.05632, "Meta"} -> {{18515, 32135, 30753}, 
     {"6,7-Dimethyltetrahydropterin [ C15 H19 N5 O, db=55.04, overall=27.52, \
HMP ID=HMDB02397, KEGG ID= ]", ""}}, {300.1323, 10.061844, "Meta"} -> 
    {{41846, 43681, 114806}, {"8-Hydroxypromazine [ C17 H20 N2 O S, db=45.98, \
overall=22.99, KEGG ID=, CAS ID=130349-17-6 ]", "130349-17-6"}}, 
   {356.0424, 10.055119, "Meta"} -> {{1, 62937, 47012}, {"", ""}}, 
   {758.2462, 10.054517, "Meta"} -> {{128917, 140476, 116083}, {"", ""}}, 
   {524.1633, 10.055028, "Meta"} -> {{45934, 55355, 41453}, {"", ""}}, 
   {338.0701, 10.055571, "Meta"} -> {{285507, 314758, 268366}, 
     {"Asn Cys Cys [ C10 H18 N4 O5 S2, db=69.48, overall=34.74 ]", ""}}, 
   {240.0997, 10.05514, "Meta"} -> {{3692179, 4103332, 3621111}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=99.31, overall=49.66, KEGG ID=, CAS ID=56392-15-5 ]", "56392-15-5"}}, 
   {180.0783, 10.055166, "Meta"} -> {{422890, 479135, 435846}, 
     {"o-Methoxyhydrocinnamic acid [ C10 H12 O3, db=99.04, overall=49.52, \
KEGG ID=, CAS ID= ]", ""}}, {222.0891, 10.055057, "Meta"} -> 
    {{2183430, 2430139, 2270718}, {"2E,4E,8E,10E-Dodecatetraenedioic acid [ \
C12 H14 O4, db=99.63, overall=49.81, Lipid ID=, KEGG ID= ]", ""}}, 
   {773.212, 10.0548, "Meta"} -> {{33290, 53081, 33564}, {"", ""}}, 
   {428.1355, 10.05561, "Meta"} -> {{56494, 54945, 46339}, {"", ""}}, 
   {284.0629, 10.055297, "Meta"} -> {{27906, 67048, 30455}, {"", ""}}, 
   {370.0939, 10.056542, "Meta"} -> {{27772, 29905, 25239}, {"", ""}}, 
   {518.1473, 10.055831, "Meta"} -> {{130519, 33882, 39373}, {"", ""}}, 
   {353.0342, 10.055324, "Meta"} -> {{1, 145727, 109185}, {"", ""}}, 
   {413.0684, 10.055799, "Meta"} -> {{78716, 77048, 63078}, {"", ""}}, 
   {254.1151, 10.055778, "Meta"} -> {{113281, 127850, 117965}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=92.65, overall=46.32, Lipid ID=, KEGG ID= ]", ""}}, 
   {382.1291, 10.055561, "Meta"} -> {{35536, 55204, 1}, 
     {"Asn Phe Cys [ C16 H22 N4 O5 S, db=52.83, overall=26.41 ]", ""}}, 
   {270.1108, 10.057515, "Meta"} -> {{46743, 242680, 249021}, 
     {"Idebenone Metabolite (Benzenebutanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C13 H18 O6, db=87.10, overall=43.55, \
KEGG ID=, CAS ID=95233-52-6 ]", "95233-52-6"}}, 
   {238.0837, 10.05803, "Meta"} -> {{53253, 71347, 76620}, 
     {"Propanoic acid, 2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- [ C12 H14 O5, \
db=79.56, overall=39.78, KEGG ID=, CAS ID=53564-64-0 ]", "53564-64-0"}}, 
   {329.2564, 10.071557, "Meta"} -> {{103480, 109290, 103238}, {"", ""}}, 
   {298.1417, 10.074715, "Meta"} -> {{1, 1, 1}, {"Idebenone Metabolite \
(Benzenehexanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, \
db=61.89, overall=30.94, KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {267.1807, 10.080885, "Meta"} -> {{72421, 77401, 62142}, 
     {"Metoprolol [ C15 H25 N O3, db=55.81, overall=27.91, KEGG ID=C07202, \
CAS ID=51384-51-1 ]", "51384-51-1"}}, {213.1727, 10.082888, "Meta"} -> 
    {{148307, 144362, 161444}, {"", ""}}, {280.1306, 10.084135, "Meta"} -> 
    {{17307, 1, 16941}, {"Betaxolol(deaminated) [ C15 H20 O5, db=67.92, \
overall=33.96, KEGG ID=, CAS ID=87549-34-6 ]", "87549-34-6"}}, 
   {324.0999, 10.10015, "Meta"} -> {{72273, 661084, 133262}, 
     {"7-Hydroxywarfarin [ C19 H16 O5, db=62.79, overall=31.40, KEGG ID=, CAS \
ID=17834-03-6 ]", "17834-03-6"}}, {542.2723, 10.113879, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {226.1503, 10.1374, "Meta"} -> 
    {{82984, 78870, 123535}, {"", ""}}, {564.2545, 10.16625, "Meta"} -> 
    {{28535, 30696, 30821}, {"", ""}}, {157.1461, 10.186832, "Meta"} -> 
    {{322033, 207422, 262488}, {"", ""}}, {776.6856, 10.190693, "Meta"} -> 
    {{91991, 94004, 82958}, {"Thyroxine [ C15 H11 I4 N O4, db=98.31, \
overall=49.15, KEGG ID=C08212, CAS ID=51-48-9 ]", "51-48-9"}}, 
   {275.1915, 10.220444, "Meta"} -> {{163762, 183197, 164893}, {"", ""}}, 
   {258.165, 10.220358, "Meta"} -> {{17282, 1, 1}, {"", ""}}, 
   {250.1179, 10.22413, "Meta"} -> {{18564, 10578, 10447}, {"", ""}}, 
   {210.123, 10.228934, "Meta"} -> {{88348, 92017, 76187}, {"", ""}}, 
   {346.1381, 10.229135, "Meta"} -> {{17275, 20866, 16837}, {"", ""}}, 
   {286.1097, 10.229067, "Meta"} -> {{18394, 19317, 1}, 
     {"His Met [ C11 H18 N4 O3 S, db=62.46, overall=31.23 ]", ""}}, 
   {438.1865, 10.251937, "Meta"} -> {{19332, 18785, 16823}, 
     {"Phe Ser Trp [ C23 H26 N4 O5, db=47.42, overall=23.71 ]", ""}}, 
   {254.1509, 10.254307, "Meta"} -> {{41807, 29443, 1}, {"", ""}}, 
   {222.1614, 10.2523, "Meta"} -> {{25066, 30102, 31022}, {"", ""}}, 
   {272.162, 10.262467, "Meta"} -> {{70337, 64205, 1}, {"", ""}}, 
   {324.0948, 10.281, "Meta"} -> {{21153, 1, 1}, {"", ""}}, 
   {166.0989, 10.282687, "Meta"} -> {{19681, 40463, 28805}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=46.36, overall=23.18, Lipid \
ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, {615.2453, 10.311601, "Meta"} -> 
    {{44805, 48573, 37708}, {"", ""}}, {582.2476, 10.3178005, "Meta"} -> 
    {{368266, 653140, 625589}, {"Biliverdin IX [ C33 H34 N4 O6, db=70.82, \
overall=35.41, HMP ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", 
      " 114-25-0"}}, {612.2579, 10.319498, "Meta"} -> 
    {{67745, 73886, 30181}, {"", ""}}, {598.2435, 10.3203745, "Meta"} -> 
    {{44626, 55642, 43772}, {"", ""}}, {580.2318, 10.321624, "Meta"} -> 
    {{103681, 106150, 104840}, {"", ""}}, {302.1078, 10.325857, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {299.1918, 10.32961, "Meta"} -> 
    {{184116, 202426, 188655}, {"", ""}}, {144.1147, 10.324371, "Meta"} -> 
    {{1, 1, 1}, {"\207-ethyl caproic acid [ C8 H16 O2, db=81.51, \
overall=40.75, KEGG ID=, CAS ID= ]", ""}}, {489.1998, 10.348856, "Meta"} -> 
    {{15873, 20461, 1}, {"Terbinafine metabolite glucuronide [ C25 H31 N O9, \
db=76.80, overall=38.40, KEGG ID=, CAS ID= ]", ""}}, 
   {264.0959, 10.353962, "Meta"} -> {{26196, 24085, 30262}, {"", ""}}, 
   {319.0784, 10.364562, "Meta"} -> {{91170, 26908, 22440}, {"", ""}}, 
   {453.2262, 10.414259, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {252.134, 10.437142, "Meta"} -> {{35745, 1, 37445}, {"", ""}}, 
   {343.2186, 10.472101, "Meta"} -> {{21286, 22245, 20738}, {"", ""}}, 
   {632.2476, 10.46173, "Meta"} -> {{1, 19373, 20151}, {"", ""}}, 
   {314.1266, 10.46791, "Meta"} -> {{53930, 30458, 40805}, {"", ""}}, 
   {245.145, 10.478071, "Meta"} -> {{47625, 29876, 1}, {"", ""}}, 
   {690.4105, 10.481418, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {492.2092, 10.482031, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {416.2284, 10.482223, "Meta"} -> {{21967, 25732, 24583}, 
     {"Ramipril [ C23 H32 N2 O5, db=71.08, overall=35.54, KEGG ID=C07232, CAS \
ID=87333-19-5 ]", "87333-19-5"}}, {356.1961, 10.4823885, "Meta"} -> 
    {{26544, 27759, 23309}, {"", ""}}, {316.2036, 10.483486, "Meta"} -> 
    {{18274, 21518, 1}, {"Acitretin Ro 23-4293 [ C20 H28 O3, db=83.16, \
overall=41.58, KEGG ID=, CAS ID=121693-28-5 ]", "121693-28-5"}}, 
   {319.218, 10.518692, "Meta"} -> {{16890, 21231, 18801}, {"", ""}}, 
   {250.118, 10.512572, "Meta"} -> {{44683, 34323, 38294}, {"", ""}}, 
   {205.1132, 10.609686, "Meta"} -> {{260906, 199238, 197200}, {"", ""}}, 
   {218.0879, 10.616875, "Meta"} -> {{61799, 112122, 62119}, {"", ""}}, 
   {254.1511, 10.619676, "Meta"} -> {{34980, 36442, 1}, {"", ""}}, 
   {243.1831, 10.626083, "Meta"} -> {{206950, 272563, 292513}, {"", ""}}, 
   {225.1725, 10.6266775, "Meta"} -> {{40486, 52859, 57238}, {"", ""}}, 
   {385.2821, 10.648808, "Meta"} -> {{12802, 1, 1}, {"", ""}}, 
   {602.2044, 10.638667, "Meta"} -> {{13002, 1, 1}, {"", ""}}, 
   {545.3771, 10.661119, "Meta"} -> {{1, 1, 32339}, {"", ""}}, 
   {325.2075, 10.677681, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {173.1233, 10.677229, "Meta"} -> {{487823, 186565, 188946}, {"", ""}}, 
   {171.1619, 10.675749, "Meta"} -> {{131422, 112999, 118720}, {"", ""}}, 
   {301.2074, 10.694365, "Meta"} -> {{45912, 1, 55644}, {"", ""}}, 
   {286.1105, 10.689359, "Meta"} -> {{1, 22298, 1}, 
     {"Hydroxymelphalan [ C13 H19 Cl N2 O3, db=66.75, overall=33.38, KEGG \
ID=, CAS ID=61733-01-5 ]", "61733-01-5"}}, {346.1349, 10.691233, "Meta"} -> 
    {{1, 16148, 20734}, {"", ""}}, {343.2722, 10.704386, "Meta"} -> 
    {{1, 36172, 1}, {"Dodecanoylcarnitine [ C19 H37 N O4, db=90.71, \
overall=45.36, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {302.1125, 10.712086, "Meta"} -> {{20886, 24478, 21496}, {"", ""}}, 
   {340.1257, 10.728134, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {242.1516, 10.728, "Meta"} -> {{94870, 90863, 101230}, {"", ""}}, 
   {400.1631, 10.728265, "Meta"} -> {{1, 13599, 1}, 
     {"N-AcetylCilastatin [ C18 H28 N2 O6 S, db=63.48, overall=31.74, KEGG \
ID=, CAS ID=94388-32-6 ]", "94388-32-6"}}, {331.2723, 10.732485, "Meta"} -> 
    {{49844, 46421, 50133}, {"", ""}}, {252.1335, 10.748029, "Meta"} -> 
    {{17463, 1, 20283}, {"", ""}}, {212.1408, 10.760103, "Meta"} -> 
    {{1, 1, 1}, {"12-oxo-10Z-dodecenoic acid [ C12 H20 O3, db=80.89, \
overall=40.45, Lipid ID=, KEGG ID= ]", ""}}, {239.1884, 10.751323, "Meta"} -> 
    {{44206, 42698, 43780}, {"", ""}}, {226.0562, 10.78225, "Meta"} -> 
    {{74799, 99433, 63802}, {"", ""}}, {367.2718, 10.79603, "Meta"} -> 
    {{99259, 57049, 38922}, {"", ""}}, {262.1177, 10.825701, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {343.2721, 10.835971, "Meta"} -> 
    {{288480, 176762, 108782}, {"Dodecanoylcarnitine [ C19 H37 N O4, \
db=97.12, overall=48.56, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {227.1882, 10.834806, "Meta"} -> {{377543, 509749, 428904}, {"", ""}}, 
   {281.1964, 10.834471, "Meta"} -> {{176235, 224657, 200351}, {"", ""}}, 
   {589.4036, 10.839125, "Meta"} -> {{1, 28773, 1}, {"", ""}}, 
   {316.1647, 10.838167, "Meta"} -> {{30349, 36473, 35719}, 
     {"Gibberellin A9 [ C19 H24 O4, db=60.62, overall=30.31, Lipid \
ID=LMPR01040080, KEGG ID=C11863 ]", ""}}, {594.3588, 10.837862, "Meta"} -> 
    {{32809, 38376, 1}, {"", ""}}, {346.1531, 10.850415, "Meta"} -> 
    {{31261, 32835, 27701}, {"", ""}}, {360.1682, 10.850501, "Meta"} -> 
    {{53512, 44816, 37858}, {"", ""}}, {328.142, 10.851166, "Meta"} -> 
    {{238203, 191231, 173276}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=71.54, overall=35.77 ]", ""}}, 
   {298.1327, 10.851243, "Meta"} -> {{34046, 26354, 1}, {"", ""}}, 
   {355.272, 10.84606, "Meta"} -> {{171420, 110926, 1}, {"", ""}}, 
   {383.288, 10.873963, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {388.2436, 10.871462, "Meta"} -> {{28523, 1, 31591}, 
     {"Thr Ile Arg [ C16 H32 N6 O5, db=61.43, overall=30.71 ]", ""}}, 
   {284.1808, 10.88514, "Meta"} -> {{40001, 44618, 52336}, {"", ""}}, 
   {301.2077, 10.885583, "Meta"} -> {{1128283, 1280672, 1156489}, {"", ""}}, 
   {276.1936, 10.92211, "Meta"} -> {{154820, 144964, 158646}, {"", ""}}, 
   {342.3243, 10.933499, "Meta"} -> {{48245, 43323, 1}, {"", ""}}, 
   {242.1516, 10.939269, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {400.163, 10.940041, "Meta"} -> {{1, 1, 1}, {"N-AcetylCilastatin [ C18 H28 \
N2 O6 S, db=61.45, overall=30.73, KEGG ID=, CAS ID=94388-32-6 ]", 
      "94388-32-6"}}, {287.2463, 10.968501, "Meta"} -> 
    {{32678, 84088, 85509}, {"", ""}}, {498.3417, 10.976148, "Meta"} -> 
    {{1, 27617, 61942}, {"", ""}}, {381.2882, 10.990801, "Meta"} -> 
    {{17773, 1, 16123}, {"5,6-DiHETrE-EA [ C22 H39 N O4, db=62.62, \
overall=31.31, Lipid ID=LMFA08040029, KEGG ID= ]", ""}}, 
   {431.2308, 10.993176, "Meta"} -> {{28774, 16539, 19999}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=63.44, overall=31.72 ]", ""}}, 
   {414.2039, 10.993806, "Meta"} -> {{178133, 101848, 112461}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=75.35, overall=37.67 ]", ""}}, 
   {616.403, 10.994139, "Meta"} -> {{30448, 1, 1}, {"", ""}}, 
   {633.4297, 10.99538, "Meta"} -> {{1, 25747, 1}, {"", ""}}, 
   {285.9721, 10.995276, "Meta"} -> {{160905, 41961, 61332}, {"", ""}}, 
   {249.1109, 11.002543, "Meta"} -> {{45229, 37511, 34075}, {"", ""}}, 
   {440.2017, 10.997424, "Meta"} -> {{16789, 24537, 21524}, 
     {"Phe Gln Phe [ C23 H28 N4 O5, db=38.67, overall=19.34 ]", ""}}, 
   {276.1334, 11.004139, "Meta"} -> {{38400, 41608, 40122}, 
     {"Saccharopine [ C11 H20 N2 O6, db=56.45, overall=28.23, KEGG ID=, CAS \
ID=997-68-2 ]", "997-68-2"}}, {465.3087, 11.014788, "Meta"} -> 
    {{14366, 16409, 15849}, {"Cholylglycine [ C26 H43 N O6, db=75.71, \
overall=37.85, KEGG ID=, CAS ID=475-31-0 ]", "475-31-0"}}, 
   {236.1403, 11.007713, "Meta"} -> {{86593, 104623, 73742}, {"", ""}}, 
   {345.2335, 11.036324, "Meta"} -> {{118256, 122919, 85824}, {"", ""}}, 
   {410.2874, 11.06508, "Meta"} -> {{1, 32303, 1}, {"", ""}}, 
   {402.2185, 11.074946, "Meta"} -> {{26400, 24188, 21855}, 
     {"Trandolaprilat [ C22 H30 N2 O5, db=47.66, overall=23.83, KEGG ID=, CAS \
ID=87679-71-8 ]", "87679-71-8"}}, {276.0972, 11.078914, "Meta"} -> 
    {{34981, 34308, 35202}, 
     {"Glu Glu [ C10 H16 N2 O7, db=71.47, overall=35.73 ]", ""}}, 
   {331.2721, 11.109583, "Meta"} -> {{76685, 79131, 86642}, {"", ""}}, 
   {402.1563, 11.114313, "Meta"} -> {{158614, 50096, 36564}, {"", ""}}, 
   {321.215, 11.114806, "Meta"} -> {{1887492, 643552, 523759}, {"", ""}}, 
   {304.1884, 11.114723, "Meta"} -> {{5508266, 1784295, 1399925}, {"", ""}}, 
   {224.0838, 11.132531, "Meta"} -> {{24617, 33494, 1}, {"", ""}}, 
   {278.0912, 11.133195, "Meta"} -> {{25783, 27480, 24915}, 
     {"Glu Met [ C10 H18 N2 O5 S, db=50.61, overall=25.31 ]", ""}}, 
   {327.223, 11.149416, "Meta"} -> {{117687, 116229, 101338}, 
     {"Levonorgestrel oxime [ C21 H29 N O2, db=60.97, overall=30.49, KEGG \
ID=, CAS ID=53016-31-2 ]", "53016-31-2"}}, {172.1474, 11.181901, "Meta"} -> 
    {{72066, 1, 1}, {"3-methyl-nonanoic acid [ C10 H20 O2, db=48.71, \
overall=24.36, Lipid ID=, KEGG ID= ]", ""}}, {238.1544, 11.197818, "Meta"} -> 
    {{146695, 1, 135124}, {"", ""}}, {265.0592, 11.2015, "Meta"} -> 
    {{66417, 187919, 40977}, {"", ""}}, {256.1671, 11.202999, "Meta"} -> 
    {{176822, 177611, 177227}, {"", ""}}, {331.272, 11.201206, "Meta"} -> 
    {{47557, 44583, 42721}, {"", ""}}, {202.1566, 11.219847, "Meta"} -> 
    {{1, 99698, 15551}, {"10-hydroxy-undecanoic acid [ C11 H22 O3, db=57.60, \
overall=28.80, Lipid ID=, KEGG ID= ]", ""}}, {357.2877, 11.224555, "Meta"} -> 
    {{176508, 184205, 154770}, {"", ""}}, {287.2463, 11.230424, "Meta"} -> 
    {{64257, 51284, 53231}, {"", ""}}, {286.196, 11.254839, "Meta"} -> 
    {{19692, 1, 1}, {"Androstenedione [ C19 H26 O2, db=51.24, overall=25.62, \
KEGG ID=C00280, CAS ID=63-05-8 ]", "63-05-8"}}, 
   {306.1806, 11.240032, "Meta"} -> {{30309, 34976, 33186}, 
     {"Tetranor Iloprost [ C18 H26 O4, db=57.37, overall=28.69, KEGG ID=, CAS \
ID=93220-69-0 ]", "93220-69-0"}}, {303.223, 11.255501, "Meta"} -> 
    {{249852, 255589, 222438}, {"", ""}}, {288.1332, 11.251001, "Meta"} -> 
    {{24506, 38467, 24233}, {"4-Methylumbelliferyl heptanoate [ C17 H20 O4, \
db=40.76, overall=20.38, KEGG ID=, CAS ID=18319-92-1 ]", "18319-92-1"}}, 
   {248.1406, 11.251324, "Meta"} -> {{13118, 15389, 1}, 
     {"2,4-Pentadienoic acid, \
3-methyl-5-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)- [ C15 H20 O3, db=58.71, \
overall=29.36, KEGG ID=, CAS ID=126624-24-6 ]", "126624-24-6"}}, 
   {358.2326, 11.257731, "Meta"} -> {{1, 1, 1}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=70.59, overall=35.30 ]", ""}}, 
   {717.4275, 11.272499, "Meta"} -> {{54690, 56901, 56976}, {"", ""}}, 
   {587.1718, 11.289588, "Meta"} -> {{26978, 23157, 18430}, {"", ""}}, 
   {294.1107, 11.290332, "Meta"} -> {{35436, 1, 30600}, {"", ""}}, 
   {1280.5605, 11.288729, "Meta"} -> {{30345, 16290, 19012}, {"", ""}}, 
   {452.1514, 11.289388, "Meta"} -> {{88488, 75062, 179059}, {"", ""}}, 
   {586.2752, 11.289446, "Meta"} -> {{193184, 167772, 188173}, {"", ""}}, 
   {527.1393, 11.289233, "Meta"} -> {{1, 96773, 82455}, {"", ""}}, 
   {496.1945, 11.289706, "Meta"} -> {{30460, 26344, 29602}, 
     {"Trp Glu Tyr [ C25 H28 N4 O7, db=59.40, overall=29.70 ]", ""}}, 
   {845.4351, 11.289027, "Meta"} -> {{399446, 295516, 337345}, {"", ""}}, 
   {530.1451, 11.290032, "Meta"} -> {{1, 51224, 40462}, 
     {"Ketoconazole [ C26 H28 Cl2 N4 O4, db=59.08, overall=29.54, KEGG \
ID=C07061, CAS ID=65277-42-1 ]", "65277-42-1"}}, 
   {531.2824, 11.290118, "Meta"} -> {{1, 29474, 31530}, {"", ""}}, 
   {866.3558, 11.289026, "Meta"} -> {{105612, 78593, 82398}, {"", ""}}, 
   {876.3872, 11.289584, "Meta"} -> {{54709, 40460, 42330}, {"", ""}}, 
   {608.2851, 11.289752, "Meta"} -> {{22316, 17366, 17356}, 
     {" [ C34 H42 N O9, db=0.00, overall=41.18, mfg=82.37 ]", ""}}, 
   {445.2463, 11.290056, "Meta"} -> {{135484, 121208, 138042}, {"", ""}}, 
   {534.248, 11.289888, "Meta"} -> {{1109307, 1001127, 1087805}, {"", ""}}, 
   {512.1748, 11.289804, "Meta"} -> {{309284, 254489, 256378}, {"", ""}}, 
   {485.2606, 11.290346, "Meta"} -> {{1, 45735, 45557}, {"", ""}}, 
   {414.2037, 11.289584, "Meta"} -> {{1.41*^7, 1.15*^7, 1.18*^7}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=82.04, overall=41.02 ]", ""}}, 
   {280.131, 11.2896385, "Meta"} -> {{112243, 93627, 101452}, 
     {"Betaxolol(deaminated) [ C15 H20 O5, db=93.07, overall=46.54, KEGG ID=, \
CAS ID=87549-34-6 ]", "87549-34-6"}}, {431.2309, 11.289611, "Meta"} -> 
    {{4229092, 3675926, 3934153}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=83.76, overall=41.88 ]", ""}}, 
   {487.292, 11.2910595, "Meta"} -> {{45902, 36855, 35245}, {"", ""}}, 
   {544.1991, 11.289091, "Meta"} -> {{28361, 31220, 32732}, {"", ""}}, 
   {471.2445, 11.291112, "Meta"} -> {{35624, 1, 1}, {"", ""}}, 
   {459.2618, 11.289667, "Meta"} -> {{467978, 623368, 630029}, 
     {"Arg Val Trp [ C22 H33 N7 O4, db=83.80, overall=41.90 ]", ""}}, 
   {457.2271, 11.291111, "Meta"} -> {{107299, 88841, 89097}, {"", ""}}, 
   {493.246, 11.289943, "Meta"} -> {{33239, 27151, 30195}, 
     {"Epothilone A [ C26 H39 N O6 S, db=62.97, overall=31.48, Lipid \
ID=LMPK01000045, KEGG ID=C12153 ]", ""}}, {560.2447, 11.289834, "Meta"} -> 
    {{45575, 34296, 35323}, {"Chloramphenicol palmitate [ C27 H42 Cl2 N2 O6, \
db=50.93, overall=25.46, KEGG ID=C11726, CAS ID=530-43-8 ]", "530-43-8"}}, 
   {473.2773, 11.28986, "Meta"} -> {{103266, 111366, 136167}, 
     {"Leu Trp Arg [ C23 H35 N7 O4, db=65.72, overall=32.86 ]", ""}}, 
   {480.1932, 11.290501, "Meta"} -> {{52721, 38708, 37348}, {"", ""}}, 
   {440.2009, 11.290919, "Meta"} -> {{169322, 140275, 145253}, 
     {"punaglandin 8 [ C23 H33 Cl O6, db=31.94, overall=15.97, Lipid \
ID=LMFA03120045, KEGG ID= ]", ""}}, {749.4477, 11.296001, "Meta"} -> 
    {{18243, 15321, 15228}, {"", ""}}, {455.3245, 11.3231, "Meta"} -> 
    {{35865, 26867, 16692}, {"", ""}}, {369.2876, 11.339501, "Meta"} -> 
    {{263637, 163832, 103647}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, \
db=97.62, overall=48.81, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {226.1929, 11.347332, "Meta"} -> {{142024, 68605, 123072}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=85.58, overall=42.79, \
KEGG ID=, CAS ID= ]", ""}}, {336.1572, 11.353258, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {243.2196, 11.351666, "Meta"} -> 
    {{22411, 1, 38531}, {"2-amino-tetradecanoic acid [ C14 H29 N O2, \
db=77.47, overall=38.74, Lipid ID=, KEGG ID= ]", ""}}, 
   {256.1672, 11.371285, "Meta"} -> {{116648, 91519, 75605}, {"", ""}}, 
   {285.1361, 11.375806, "Meta"} -> {{497465, 458715, 478890}, 
     {"Morphine [ C17 H19 N O3, db=95.72, overall=47.86, KEGG ID=C01516, CAS \
ID=57-27-2 ]", "57-27-2"}}, {282.1465, 11.395613, "Meta"} -> 
    {{81815, 89581, 85211}, {"Artemisinin [ C15 H22 O5, db=88.47, \
overall=44.23, KEGG ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {208.1094, 11.39564, "Meta"} -> {{137148, 135872, 140541}, 
     {"1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo- [ C12 H16 O3, \
db=81.98, overall=40.99, KEGG ID=, CAS ID=28043-09-6 ]", "28043-09-6"}}, 
   {250.1206, 11.395556, "Meta"} -> {{934418, 1035991, 942670}, 
     {"Ubiquinone [ C14 H18 O4, db=99.59, overall=49.80, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {366.1019, 11.395695, "Meta"} -> 
    {{137933, 137247, 130042}, 
     {"Cys Asn Met [ C12 H22 N4 O5 S2, db=72.32, overall=36.16 ]", ""}}, 
   {381.0665, 11.395805, "Meta"} -> {{52904, 45386, 40398}, {"", ""}}, 
   {268.131, 11.395668, "Meta"} -> {{1595593, 1715157, 1533452}, {"", ""}}, 
   {842.34, 11.395239, "Meta"} -> {{10911, 10809, 11421}, {"", ""}}, 
   {589.1759, 11.39528, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {384.0751, 11.395806, "Meta"} -> {{35832, 37998, 26572}, {"", ""}}, 
   {649.2068, 11.395183, "Meta"} -> {{16263, 16967, 1}, {"", ""}}, 
   {504.2696, 11.396668, "Meta"} -> {{27505, 34150, 25296}, {"", ""}}, 
   {312.0943, 11.396322, "Meta"} -> {{19145, 19263, 1}, {"", ""}}, 
   {575.2477, 11.396999, "Meta"} -> {{15240, 16465, 14130}, {"", ""}}, 
   {328.1616, 11.3960285, "Meta"} -> {{63831, 62376, 62178}, 
     {"Methotrimeprazine [ C19 H24 N2 O S, db=76.92, overall=38.46, KEGG \
ID=C07192, CAS ID=60-99-1 ]", "60-99-1"}}, {441.1043, 11.396527, "Meta"} -> 
    {{52501, 52215, 36832}, {"", ""}}, {398.1249, 11.39558, "Meta"} -> 
    {{14982, 15190, 14669}, 
     {"Cys Tyr Asn [ C16 H22 N4 O6 S, db=64.30, overall=32.15 ]", ""}}, 
   {410.1626, 11.397676, "Meta"} -> {{29555, 28485, 28474}, 
     {"Phe Asn Met [ C18 H26 N4 O5 S, db=72.68, overall=36.34 ]", ""}}, 
   {426.1383, 11.396766, "Meta"} -> {{137401, 148900, 1}, 
     {"Mometasone [ C22 H28 Cl2 O4, db=54.85, overall=27.42, KEGG ID=C07816, \
CAS ID=105102-22-5 ]", "105102-22-5"}}, {136.1248, 11.399722, "Meta"} -> 
    {{45852, 44397, 41543}, {"(+)-Limonene [ C10 H16, db=85.33, \
overall=42.67, Lipid ID=LMPR01020041, KEGG ID=C06099 ]", ""}}, 
   {266.115, 11.397911, "Meta"} -> {{18582, 21047, 27714}, {"", ""}}, 
   {214.1567, 11.399723, "Meta"} -> {{631925, 701826, 637642}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=86.76, overall=43.38, \
Lipid ID=, KEGG ID= ]", ""}}, {274.189, 11.399056, "Meta"} -> 
    {{84520, 95277, 85708}, {"", ""}}, {312.1249, 11.399559, "Meta"} -> 
    {{22514, 24447, 24313}, {"", ""}}, {154.1354, 11.39986, "Meta"} -> 
    {{77935, 91709, 79043}, {"Linalool [ C10 H18 O, db=84.18, overall=42.09, \
Lipid ID=LMPR01020038, KEGG ID=C03985 ]", ""}}, 
   {647.4454, 11.415207, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {196.1447, 11.415208, "Meta"} -> {{27069, 25604, 26699}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=61.34, overall=30.67, Lipid ID=, \
KEGG ID= ]", ""}}, {397.3034, 11.419818, "Meta"} -> 
    {{34333, 1, 40865}, {"", ""}}, {518.121, 11.434154, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {336.157, 11.451531, "Meta"} -> 
    {{1, 15081, 1}, {"", ""}}, {246.1829, 11.451807, "Meta"} -> 
    {{127855, 36867, 1}, {"", ""}}, {241.2038, 11.455589, "Meta"} -> 
    {{56571, 55526, 63998}, {"", ""}}, {478.2178, 11.45214, "Meta"} -> 
    {{35392, 32348, 32165}, {"Formestane-4-O-glucuronide [ C25 H34 O9, \
db=82.02, overall=41.01, KEGG ID=, CAS ID=102848-54-4 ]", "102848-54-4"}}, 
   {210.1249, 11.457354, "Meta"} -> {{1, 32069, 1}, 
     {"Jasmonic acid [ C12 H18 O3, db=81.52, overall=40.76, Lipid \
ID=LMFA02020001, KEGG ID= ]", ""}}, {342.2878, 11.461249, "Meta"} -> 
    {{42691, 28307, 24626}, {"", ""}}, {367.1506, 11.475408, "Meta"} -> 
    {{62069, 70931, 61912}, 
     {"Asp His Pro [ C15 H21 N5 O6, db=71.89, overall=35.95 ]", ""}}, 
   {285.1362, 11.475694, "Meta"} -> {{680742, 761687, 659009}, 
     {"Morphine [ C17 H19 N O3, db=98.62, overall=49.31, KEGG ID=C01516, CAS \
ID=57-27-2 ]", "57-27-2"}}, {528.1969, 11.478286, "Meta"} -> 
    {{38875, 37063, 34640}, {"", ""}}, {460.2096, 11.476846, "Meta"} -> 
    {{23814, 25591, 24773}, 
     {"Trp Gln Gln [ C21 H28 N6 O6, db=60.46, overall=30.23 ]", ""}}, 
   {311.2457, 11.484715, "Meta"} -> {{287418, 295944, 244521}, {"", ""}}, 
   {347.2489, 11.499638, "Meta"} -> {{42156, 38194, 35823}, {"", ""}}, 
   {356.2318, 11.490559, "Meta"} -> {{17423, 13068, 1}, 
     {"Estradiol valerate [ C23 H32 O3, db=40.90, overall=20.45, Lipid \
ID=LMST02010039, KEGG ID=C12859 ]", ""}}, {344.1596, 11.518447, "Meta"} -> 
    {{1, 1, 1}, {"16-Hydroxy-4-carboxyretinoic acid [ C20 H24 O5, db=62.38, \
overall=31.19, KEGG ID=, CAS ID=99665-36-8 ]", "99665-36-8"}}, 
   {414.204, 11.526778, "Meta"} -> {{56869, 37641, 23266}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=76.96, overall=38.48 ]", ""}}, 
   {413.2931, 11.527801, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {449.3137, 11.528334, "Meta"} -> {{1, 1, 1}, {"Glycoursodeoxycholic acid [ \
C26 H43 N O5, db=91.01, overall=45.51, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {431.3032, 11.527909, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {250.1557, 11.546168, "Meta"} -> {{42474, 30652, 30319}, 
     {"Gemfibrozil [ C15 H22 O3, db=55.73, overall=27.87, KEGG ID=, CAS \
ID=25812-30-0 ]", "25812-30-0"}}, {632.2483, 11.548585, "Meta"} -> 
    {{632324, 1107453, 1132088}, {"", ""}}, {441.3298, 11.567675, "Meta"} -> 
    {{40537, 45070, 41129}, {"", ""}}, {424.3029, 11.567376, "Meta"} -> 
    {{68394, 75820, 74177}, {"2alpha-Fluoro-19-nor-22-oxa-1alpha,25-dihydroxy\
vitamin D3 [ C25 H41 F O4, db=58.90, overall=29.45, Lipid ID=LMST03020616, \
KEGG ID= ]", ""}}, {488.2383, 11.5761385, "Meta"} -> 
    {{19313, 16216, 18991}, {"", ""}}, {329.2389, 11.608471, "Meta"} -> 
    {{707647, 770435, 659422}, {"", ""}}, {280.165, 11.619699, "Meta"} -> 
    {{109329, 126239, 1}, {"", ""}}, {386.1862, 11.624001, "Meta"} -> 
    {{1, 23420, 21889}, {"", ""}}, {386.2455, 11.630222, "Meta"} -> 
    {{85139, 74843, 80582}, {"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid \
[ C24 H34 O4, db=85.79, overall=42.90, Lipid ID=, KEGG ID= ]", ""}}, 
   {598.2424, 11.630831, "Meta"} -> {{77549, 61855, 34808}, {"", ""}}, 
   {735.4978, 11.632807, "Meta"} -> {{1, 1, 1}, {"Dipalmitoylphosphatidylseri\
ne [ C38 H74 N O10 P, db=54.29, overall=27.15, HMP ID=HMDB00614, KEGG ID= ]", 
      ""}}, {370.3555, 11.634998, "Meta"} -> {{50288, 47920, 47121}, 
     {"", ""}}, {468.2595, 11.6322565, "Meta"} -> {{22861, 21249, 21038}, 
     {"", ""}}, {740.4531, 11.631467, "Meta"} -> {{27204, 1, 30063}, 
     {"", ""}}, {477.1897, 11.660638, "Meta"} -> {{594248, 86478, 163723}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=85.23, overall=42.62, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {582.2477, 11.661, "Meta"} -> 
    {{27415, 45120, 40834}, {"Biliverdin IX [ C33 H34 N4 O6, db=87.31, \
overall=43.66, HMP ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", 
      " 114-25-0"}}, {354.2379, 11.661621, "Meta"} -> 
    {{16276, 24856, 25224}, {"13,14-dihydro-15-keto-PGF2alpha [ C20 H34 O5, \
db=42.26, overall=21.13, Lipid ID=LMFA03010027, KEGG ID= ]", ""}}, 
   {520.2644, 11.689971, "Meta"} -> {{28083, 29083, 26277}, 
     {"Medroxyprogesterone glucuronide [ C28 H40 O9, db=48.42, overall=24.21, \
KEGG ID=, CAS ID= ]", ""}}, {485.356, 11.693, "Meta"} -> 
    {{36177, 1, 38731}, {"", ""}}, {240.1703, 11.670438, "Meta"} -> 
    {{58896, 77363, 83739}, {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic \
acid [ C14 H24 O3, db=65.39, overall=32.69, Lipid ID=, KEGG ID= ]", ""}}, 
   {439.2696, 11.698639, "Meta"} -> {{42395, 25573, 1}, 
     {"GPA(17:1(9Z)/0:0) [ C20 H42 N O7 P, db=58.14, overall=29.07, Lipid \
ID=LMGP10050002, KEGG ID= ]", ""}}, {414.2039, 11.722752, "Meta"} -> 
    {{151062, 80627, 109523}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=70.02, overall=35.01 ]", ""}}, 
   {522.2801, 11.738907, "Meta"} -> {{25663, 27143, 23401}, {"", ""}}, 
   {262.1541, 11.742794, "Meta"} -> {{47347, 51665, 39248}, {"", ""}}, 
   {272.2133, 11.744, "Meta"} -> {{38638, 1, 39644}, {"", ""}}, 
   {588.2251, 11.747442, "Meta"} -> {{28986, 36162, 26038}, {"", ""}}, 
   {528.1907, 11.747131, "Meta"} -> {{14526, 1, 1}, {"", ""}}, 
   {371.3033, 11.768027, "Meta"} -> {{226587, 145953, 106239}, {"", ""}}, 
   {590.3101, 11.752577, "Meta"} -> {{1, 1, 1}, {"D-Urobilinogen [ C33 H42 N4 \
O6, db=61.46, overall=30.73, HMP ID=HMDB04158, KEGG ID= ]", ""}}, 
   {417.1435, 11.795814, "Meta"} -> {{12352, 12119, 1}, 
     {"Mefenamic acid Metabolite (b-D-Glucopyranuronic acid, \
1-[2-[(2,3-dimethylphenyl)amino]benzoate]) [ C21 H23 N O8, db=50.07, \
overall=25.03, KEGG ID=, CAS ID=102623-18-7 ]", "102623-18-7"}}, 
   {282.1151, 11.797542, "Meta"} -> {{22540, 33675, 26689}, {"", ""}}, 
   {342.145, 11.797485, "Meta"} -> {{1, 36387, 1}, {"", ""}}, 
   {184.146, 11.798257, "Meta"} -> {{91118, 93329, 76992}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=82.08, overall=41.04, Lipid ID=, \
KEGG ID= ]", ""}}, {373.2647, 11.811193, "Meta"} -> 
    {{26780, 42503, 37029}, {"", ""}}, {299.2823, 11.815419, "Meta"} -> 
    {{85465, 61772, 54100}, {"3-Dehydrosphinganine [ C18 H37 N O2, db=94.66, \
overall=47.33, KEGG ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {251.2249, 11.800002, "Meta"} -> {{89002, 97932, 99263}, {"", ""}}, 
   {534.3375, 11.806134, "Meta"} -> {{38708, 1, 34423}, {"", ""}}, 
   {465.3086, 11.805584, "Meta"} -> {{33933, 26049, 41339}, 
     {"Cholylglycine [ C26 H43 N O6, db=97.59, overall=48.80, KEGG ID=, CAS \
ID=475-31-0 ]", "475-31-0"}}, {429.2878, 11.80568, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {529.3823, 11.806334, "Meta"} -> 
    {{1, 1, 35000}, {"", ""}}, {518.2228, 11.805154, "Meta"} -> 
    {{1, 1, 1}, {"26,26,26,27,27,27-hexafluoro-1alpha,25-dihydroxy-16,17,23,2\
3,24,24-hexadehydrovitamin D3 / 26,26,26, [ C27 H32 F6 O3, db=61.57, \
overall=30.78, Lipid ID=LMST03020078, KEGG ID= ]", ""}}, 
   {585.3523, 11.805889, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {521.2284, 11.805668, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {414.204, 11.809854, "Meta"} -> {{151144, 88235, 109053}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=78.79, overall=39.40 ]", ""}}, 
   {431.2309, 11.812069, "Meta"} -> {{39682, 18057, 1}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=56.36, overall=28.18 ]", ""}}, 
   {218.1664, 11.82626, "Meta"} -> {{19704, 17591, 19051}, 
     {"6,8,10,12-pentadecatetraenal [ C15 H22 O, db=57.54, overall=28.77, \
Lipid ID=, KEGG ID= ]", ""}}, {270.1153, 11.829969, "Meta"} -> 
    {{26079, 26996, 20926}, {"chloroprocaine [ C13 H19 Cl N2 O2, db=55.52, \
overall=27.76, KEGG ID=, CAS ID= ]", ""}}, {330.1401, 11.829573, "Meta"} -> 
    {{28659, 32168, 18923}, {"Desmethyl methotrimeprazine 5-sulfoxide [ C18 \
H22 N2 O2 S, db=85.40, overall=42.70, KEGG ID=, CAS ID=16808-77-8 ]", 
      "16808-77-8"}}, {172.146, 11.8296385, "Meta"} -> 
    {{52563, 50754, 44200}, {"3-methyl-nonanoic acid [ C10 H20 O2, db=89.90, \
overall=44.95, Lipid ID=, KEGG ID= ]", ""}}, {186.1616, 11.829715, "Meta"} -> 
    {{40596, 39315, 32144}, {"Undecylic acid [ C11 H22 O2, db=83.39, \
overall=41.70, KEGG ID=, CAS ID= ]", ""}}, {431.3031, 11.831061, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {471.2956, 11.832395, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {308.1988, 11.834726, "Meta"} -> 
    {{94200, 43147, 46703}, {"", ""}}, {355.2544, 11.8503895, "Meta"} -> 
    {{213159, 240133, 202404}, {"", ""}}, {346.1188, 11.835636, "Meta"} -> 
    {{32898, 29691, 1}, {"Nifedipine [ C17 H18 N2 O6, db=50.63, \
overall=25.31, KEGG ID=C07266, CAS ID=21829-25-4 ]", "21829-25-4"}}, 
   {276.1724, 11.846942, "Meta"} -> {{130903, 87637, 83349}, 
     {"cyclandelate [ C17 H24 O3, db=63.51, overall=31.75, KEGG ID=, CAS \
ID=456-59-7 ]", "456-59-7"}}, {369.197, 11.842227, "Meta"} -> 
    {{20875, 23819, 19156}, {"", ""}}, {588.2903, 11.855272, "Meta"} -> 
    {{13907, 1, 1}, {"", ""}}, {330.1805, 11.858284, "Meta"} -> 
    {{323134, 188969, 126658}, {"16-Hydroxy-4-oxoretinoic acid [ C20 H26 O4, \
db=78.37, overall=39.19, KEGG ID=, CAS ID=107257-23-8 ]", "107257-23-8"}}, 
   {252.1358, 11.86086, "Meta"} -> {{42417, 28920, 20922}, {"", ""}}, 
   {290.1884, 11.862444, "Meta"} -> {{175503, 131860, 74048}, 
     {"8-hydroxy-17-octadecene-9,11-diynoic acid [ C18 H26 O3, db=62.31, \
overall=31.16, Lipid ID=, KEGG ID= ]", ""}}, {351.2187, 11.864862, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {592.3258, 11.793964, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {309.2302, 11.861514, "Meta"} -> 
    {{483260, 487365, 542078}, {"", ""}}, {447.2981, 11.879917, "Meta"} -> 
    {{20672, 32039, 29969}, {"", ""}}, {511.3273, 11.884157, "Meta"} -> 
    {{236730, 65629, 27364}, {"", ""}}, {280.1649, 11.8923235, "Meta"} -> 
    {{24933, 30720, 1}, {"", ""}}, {705.4871, 11.893938, "Meta"} -> 
    {{31358, 1, 33750}, {"", ""}}, {291.2176, 11.896868, "Meta"} -> 
    {{259643, 1, 241204}, {"Penbutolol [ C18 H29 N O2, db=57.95, \
overall=28.98, KEGG ID=C07416, CAS ID=38363-40-5 ]", "38363-40-5"}}, 
   {688.4606, 11.89371, "Meta"} -> {{36190, 1, 43243}, {"", ""}}, 
   {267.2197, 11.913969, "Meta"} -> {{632547, 353836, 523734}, {"", ""}}, 
   {394.2926, 11.915362, "Meta"} -> {{97645, 121684, 108429}, {"", ""}}, 
   {251.2248, 11.917944, "Meta"} -> {{265472, 249251, 223415}, {"", ""}}, 
   {411.3194, 11.915528, "Meta"} -> {{50414, 66238, 58106}, {"", ""}}, 
   {256.219, 11.924389, "Meta"} -> {{53282, 58659, 54409}, {"", ""}}, 
   {610.2709, 11.924807, "Meta"} -> {{18017, 18445, 15863}, {"", ""}}, 
   {534.281, 11.92525, "Meta"} -> {{48749, 53096, 48735}, {"", ""}}, 
   {451.3145, 11.934751, "Meta"} -> {{24079, 23078, 27090}, {"", ""}}, 
   {224.1408, 11.931854, "Meta"} -> {{1, 1, 1}, {"Methyl jasmonate [ C13 H20 \
O3, db=49.28, overall=24.64, KEGG ID=C11512, CAS ID=1211-29-6 ]", 
      "1211-29-6"}}, {456.2698, 11.934423, "Meta"} -> 
    {{55366, 1, 1}, {"", ""}}, {572.3308, 11.924665, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {428.2149, 11.942999, "Meta"} -> 
    {{29283, 25503, 1}, {"", ""}}, {315.2772, 11.940305, "Meta"} -> 
    {{1617775, 1540358, 1491918}, {"", ""}}, {413.2462, 11.94091, "Meta"} -> 
    {{82066, 53028, 67835}, {"", ""}}, {297.2667, 11.941416, "Meta"} -> 
    {{114750, 128785, 109489}, {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ \
C18 H35 N O2, db=86.94, overall=43.47, KEGG ID=, CAS ID= ]", ""}}, 
   {341.2728, 11.941767, "Meta"} -> {{24888, 17123, 1}, {"", ""}}, 
   {314.0917, 11.9444475, "Meta"} -> {{449579, 1, 250645}, {"", ""}}, 
   {261.1217, 11.955101, "Meta"} -> {{47482, 38443, 25197}, {"", ""}}, 
   {379.2542, 11.973425, "Meta"} -> {{49278, 30607, 38277}, {"", ""}}, 
   {594.3415, 11.96689, "Meta"} -> {{53749, 59413, 45747}, 
     {"L-Urobilin [ C33 H46 N4 O6, db=74.87, overall=37.44, HMP ID=HMDB04159, \
KEGG ID= ]", ""}}, {255.2196, 11.968827, "Meta"} -> 
    {{62288, 62633, 54445}, {"", ""}}, {414.2043, 11.974148, "Meta"} -> 
    {{89641, 1, 17329}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=62.51, overall=31.26 ]", ""}}, 
   {312.2301, 11.973156, "Meta"} -> {{38486, 40289, 1}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=65.73, \
overall=32.86, Lipid ID=, KEGG ID= ]", ""}}, {328.2254, 11.979709, "Meta"} -> 
    {{1, 67248, 1}, {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 H32 \
O5, db=55.40, overall=27.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {196.1461, 11.97807, "Meta"} -> {{28833, 37764, 1}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=60.16, overall=30.08, Lipid ID=, \
KEGG ID= ]", ""}}, {754.4684, 11.973702, "Meta"} -> 
    {{31726, 1, 17554}, {"", ""}}, {749.5135, 11.97703, "Meta"} -> 
    {{27606, 30851, 29451}, {"", ""}}, {324.1915, 11.994925, "Meta"} -> 
    {{50025, 17769, 33584}, {"12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrien\
oic acid [ C18 H28 O5, db=57.41, overall=28.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {309.23, 11.97869, "Meta"} -> {{134401, 1, 1}, {"", ""}}, 
   {301.1142, 11.992531, "Meta"} -> {{140621, 62039, 78640}, {"", ""}}, 
   {331.2543, 12.023166, "Meta"} -> {{437710, 414987, 312265}, {"", ""}}, 
   {455.3454, 12.01464, "Meta"} -> {{78146, 83551, 82036}, {"", ""}}, 
   {438.3189, 12.015082, "Meta"} -> {{127671, 147462, 135627}, {"", ""}}, 
   {358.2328, 12.025667, "Meta"} -> {{537044, 122140, 1}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=96.96, overall=48.48 ]", ""}}, 
   {311.152, 12.032904, "Meta"} -> {{82768, 87694, 46423}, {"", ""}}, 
   {353.2775, 12.026425, "Meta"} -> {{456021, 108354, 1.04*^7}, {"", ""}}, 
   {385.3189, 12.040938, "Meta"} -> {{32900, 27579, 1}, {"", ""}}, 
   {397.3187, 12.041324, "Meta"} -> {{219904, 138771, 59965}, {"", ""}}, 
   {798.4948, 12.054034, "Meta"} -> {{29342, 1, 1}, {"", ""}}, 
   {793.5397, 12.054131, "Meta"} -> {{1, 1, 28407}, {"", ""}}, 
   {590.3062, 12.072692, "Meta"} -> {{1, 1, 11869}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=57.10, overall=28.55, HMP \
ID=HMDB04158, KEGG ID= ]", ""}}, {326.0038, 12.075236, "Meta"} -> 
    {{177884, 115106, 118253}, {"", ""}}, {236.1403, 12.083773, "Meta"} -> 
    {{60812, 24433, 20028}, {"", ""}}, {252.1866, 12.082345, "Meta"} -> 
    {{1, 18545, 1}, {"", ""}}, {586.209, 12.083833, "Meta"} -> 
    {{173694, 183618, 143140}, {"", ""}}, {350.155, 12.082278, "Meta"} -> 
    {{57467, 62085, 44031}, {"", ""}}, {526.1727, 12.085113, "Meta"} -> 
    {{127830, 132111, 112559}, {"", ""}}, {466.1347, 12.082086, "Meta"} -> 
    {{1, 82048, 68861}, {"", ""}}, {270.1981, 12.084306, "Meta"} -> 
    {{230300, 241855, 175115}, {"", ""}}, {412.1294, 12.085416, "Meta"} -> 
    {{102716, 99042, 90589}, {"", ""}}, {368.1654, 12.082582, "Meta"} -> 
    {{75555, 82441, 70452}, {"Testosterone sulfate [ C19 H28 O5 S, db=92.27, \
overall=46.13, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {498.1664, 12.083362, "Meta"} -> {{32309, 30793, 23866}, {"", ""}}, 
   {616.2339, 12.084806, "Meta"} -> {{73438, 70944, 58555}, {"", ""}}, 
   {243.2196, 12.102666, "Meta"} -> {{82697, 82805, 60017}, 
     {"2-amino-tetradecanoic acid [ C14 H29 N O2, db=84.12, overall=42.06, \
Lipid ID=, KEGG ID= ]", ""}}, {482.3452, 12.104295, "Meta"} -> 
    {{134212, 148825, 129819}, {"", ""}}, {234.1617, 12.111666, "Meta"} -> 
    {{59222, 52828, 42074}, {"", ""}}, {248.1769, 12.122094, "Meta"} -> 
    {{67609, 67792, 74379}, {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, \
db=79.54, overall=39.77, Lipid ID=, KEGG ID= ]", ""}}, 
   {291.2195, 12.120156, "Meta"} -> {{77868, 1, 73628}, 
     {"Penbutolol [ C18 H29 N O2, db=68.40, overall=34.20, KEGG ID=C07416, \
CAS ID=38363-40-5 ]", "38363-40-5"}}, {837.5658, 12.128968, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {342.1837, 12.136654, "Meta"} -> 
    {{1, 1, 14511}, {"Acitretin Ro 23-4750 [ C21 H26 O4, db=77.85, \
overall=38.93, KEGG ID=, CAS ID=121785-73-7 ]", "121785-73-7"}}, 
   {264.1359, 12.146778, "Meta"} -> {{302976, 313401, 304679}, {"", ""}}, 
   {222.1252, 12.146971, "Meta"} -> {{36378, 62876, 39313}, 
     {"Hydroxyibuprofen [ C13 H18 O3, db=74.22, overall=37.11, KEGG ID=, CAS \
ID=51146-55-5 ]", "51146-55-5"}}, {296.1624, 12.147417, "Meta"} -> 
    {{51160, 64469, 52119}, {"Lactone of PGF-MUM [ C16 H24 O5, db=79.76, \
overall=39.88, KEGG ID=, CAS ID= ]", ""}}, {282.1466, 12.147778, "Meta"} -> 
    {{70421, 518810, 451866}, {"Artemisinin [ C15 H22 O5, db=99.12, \
overall=49.56, KEGG ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {341.2723, 12.151607, "Meta"} -> {{1, 21803, 15492}, {"", ""}}, 
   {380.1164, 12.147638, "Meta"} -> {{19976, 27988, 19621}, 
     {"Cys Gln Met [ C13 H24 N4 O5 S2, db=68.35, overall=34.18 ]", ""}}, 
   {306.1804, 12.177001, "Meta"} -> {{1, 24924, 18515}, 
     {"Tetranor Iloprost [ C18 H26 O4, db=63.70, overall=31.85, KEGG ID=, CAS \
ID=93220-69-0 ]", "93220-69-0"}}, {402.1937, 12.148144, "Meta"} -> 
    {{37140, 35681, 36481}, 
     {"Pro Trp Thr [ C20 H26 N4 O5, db=72.34, overall=36.17 ]", ""}}, 
   {297.2667, 12.156, "Meta"} -> {{71042, 74993, 63446}, 
     {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ C18 H35 N O2, db=77.59, \
overall=38.79, KEGG ID=, CAS ID= ]", ""}}, {315.2772, 12.155445, "Meta"} -> 
    {{1188681, 1104085, 1115545}, {"", ""}}, {413.2455, 12.157277, "Meta"} -> 
    {{70577, 1, 79880}, {"", ""}}, {313.2615, 12.160829, "Meta"} -> 
    {{236037, 195669, 201392}, {"", ""}}, {311.1518, 12.180069, "Meta"} -> 
    {{33176, 33735, 41508}, {"", ""}}, {299.9847, 12.185141, "Meta"} -> 
    {{2406405, 2554389, 1764565}, {"", ""}}, 
   {318.1804, 12.2324295, "Meta"} -> {{19107, 1, 1}, 
     {"Ubiquinone (Q2) [ C19 H26 O4, db=42.47, overall=21.23, KEGG ID=, CAS \
ID=606-06-4 ]", "606-06-4"}}, {606.2023, 12.187666, "Meta"} -> 
    {{116260, 122175, 109175}, {"", ""}}, {462.2252, 12.1875, "Meta"} -> 
    {{443897, 492390, 445577}, {"Hydrocortisone succinate [ C25 H34 O8, \
db=96.63, overall=48.31, Lipid ID=LMST02030126, KEGG ID=C12888 ]", ""}}, 
   {525.2572, 12.187778, "Meta"} -> {{218623, 231687, 230313}, {"", ""}}, 
   {568.2631, 12.187808, "Meta"} -> {{63602, 72463, 72959}, {"", ""}}, 
   {621.1704, 12.188378, "Meta"} -> {{36688, 34718, 28668}, {"", ""}}, 
   {530.2126, 12.187939, "Meta"} -> {{506704, 502156, 467758}, 
     {"Trp Tyr Tyr [ C29 H30 N4 O6, db=72.13, overall=36.06 ]", ""}}, 
   {377.2329, 12.190221, "Meta"} -> {{182267, 218367, 187134}, 
     {"Val Leu Phe [ C20 H31 N3 O4, db=88.80, overall=44.40 ]", ""}}, 
   {628.2743, 12.1870985, "Meta"} -> {{25121, 29885, 28832}, {"", ""}}, 
   {420.2121, 12.200396, "Meta"} -> {{39935, 39407, 34841}, {"", ""}}, 
   {228.1723, 12.197486, "Meta"} -> {{107446, 130504, 85527}, 
     {"10-keto tridecanoic acid [ C13 H24 O3, db=61.20, overall=30.60, Lipid \
ID=LMFA01060042, KEGG ID= ]", ""}}, {372.191, 12.199401, "Meta"} -> 
    {{22223, 22046, 25108}, {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=56.89, \
overall=28.44, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {357.2698, 12.228862, "Meta"} -> {{481456, 452365, 418809}, {"", ""}}, 
   {199.1932, 12.220861, "Meta"} -> {{334637, 346210, 229577}, 
     {"dodecanamide [ C12 H25 N O, db=98.45, overall=49.22, Lipid ID=, KEGG \
ID= ]", ""}}, {259.2255, 12.222748, "Meta"} -> {{97385, 85398, 82927}, 
     {"", ""}}, {269.235, 12.2237425, "Meta"} -> {{64654, 54132, 55935}, 
     {"", ""}}, {719.5028, 12.228621, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {664.2384, 12.227905, "Meta"} -> {{30649, 72053, 54352}, {"", ""}}, 
   {248.1768, 12.233333, "Meta"} -> {{1, 15695, 1}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=72.21, \
overall=36.10, Lipid ID=, KEGG ID= ]", ""}}, {284.1987, 12.237692, "Meta"} -> 
    {{30399, 1, 1}, {"", ""}}, {262.1929, 12.242998, "Meta"} -> 
    {{407897, 405526, 390978}, {"5,8-heptadecadiynoic acid [ C17 H26 O2, \
db=98.55, overall=49.28, Lipid ID=, KEGG ID= ]", ""}}, 
   {533.3115, 12.239881, "Meta"} -> {{113049, 45121, 26393}, {"", ""}}, 
   {302.1855, 12.243556, "Meta"} -> {{395565, 363771, 338065}, 
     {"2-Methoxyestradiol [ C19 H26 O3, db=76.71, overall=38.36, HMP \
ID=HMDB00405, KEGG ID= ]", ""}}, {436.1856, 12.235857, "Meta"} -> 
    {{1, 31157, 33083}, {"", ""}}, {596.3558, 12.249497, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {242.188, 12.252134, "Meta"} -> 
    {{1, 144420, 126134}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
db=63.43, overall=31.71, Lipid ID=, KEGG ID= ]", ""}}, 
   {614.3666, 12.251577, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {512.1788, 12.245139, "Meta"} -> {{21637, 15647, 15473}, 
     {"10S,11R-epoxy-punaglandin 3 [ C25 H33 Cl O9, db=53.22, overall=26.61, \
Lipid ID=LMFA03120039, KEGG ID= ]", ""}}, {376.1882, 12.266801, "Meta"} -> 
    {{20433, 27204, 62554}, 
     {"Arg Val Cys [ C14 H28 N6 O4 S, db=75.82, overall=37.91 ]", ""}}, 
   {580.2321, 12.270332, "Meta"} -> {{200765, 223315, 199811}, {"", ""}}, 
   {630.2687, 12.26936, "Meta"} -> {{178097, 139672, 110084}, {"", ""}}, 
   {612.2583, 12.2699175, "Meta"} -> {{153388, 137078, 127144}, {"", ""}}, 
   {672.2793, 12.270498, "Meta"} -> {{115300, 103107, 86432}, {"", ""}}, 
   {658.2637, 12.2717495, "Meta"} -> {{40657, 38328, 32360}, {"", ""}}, 
   {644.2843, 12.27025, "Meta"} -> {{338736, 320136, 270627}, {"", ""}}, 
   {298.2154, 12.269302, "Meta"} -> {{1, 65865, 36153}, 
     {"8E-Heptadecenedioic acid [ C17 H30 O4, db=61.18, overall=30.59, Lipid \
ID=, KEGG ID= ]", ""}}, {336.1262, 12.278805, "Meta"} -> 
    {{25994, 20031, 19508}, {"", ""}}, {238.1567, 12.281195, "Meta"} -> 
    {{284777, 218068, 263083}, {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 \
H22 O3, db=97.15, overall=48.57, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {423.3348, 12.288555, "Meta"} -> {{828984, 556353, 395497}, {"", ""}}, 
   {311.2457, 12.286498, "Meta"} -> {{518820, 479732, 463066}, {"", ""}}, 
   {374.2429, 12.298686, "Meta"} -> {{66461, 65938, 61404}, 
     {"Digitoxigenin [ C23 H34 O4, db=53.68, overall=26.84, KEGG ID=, CAS \
ID=143-62-4 ]", "143-62-4"}}, {477.1899, 12.302515, "Meta"} -> 
    {{85168, 43948, 70497}, {"3,5-Pyridinedicarboxylic acid, \
2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino] [ C26 \
H27 N3 O6, db=59.31, overall=29.66, KEGG ID=, CAS ID=59875-58-0 ]", 
      "59875-58-0"}}, {768.4842, 12.295834, "Meta"} -> 
    {{1, 31721, 1}, {"", ""}}, {369.2874, 12.299877, "Meta"} -> 
    {{23441, 1, 1}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, db=64.19, \
overall=32.09, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {763.5288, 12.296454, "Meta"} -> {{1, 1, 25972}, {"", ""}}, 
   {314.1884, 12.299144, "Meta"} -> {{77614, 46759, 75661}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=70.86, overall=35.43, KEGG ID=, \
CAS ID=38030-57-8 ]", "38030-57-8"}}, {271.2523, 12.302779, "Meta"} -> 
    {{106481, 80103, 115221}, {"2R-aminohexadecanoic acid [ C16 H33 N O2, \
db=52.07, overall=26.04, Lipid ID=, KEGG ID= ]", ""}}, 
   {625.346, 12.299999, "Meta"} -> {{65615, 68587, 114977}, 
     {"Glycochenodeoxycholic acid 3-glucuronide [ C32 H51 N O11, db=99.35, \
overall=49.68, HMP ID=HMDB02579, KEGG ID= ]", ""}}, 
   {342.1463, 12.310115, "Meta"} -> {{223520, 33759, 63947}, {"", ""}}, 
   {663.2926, 12.299033, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {372.2661, 12.3107815, "Meta"} -> {{128076, 148702, 146756}, 
     {"(22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid [ C24 H36 O3, db=66.95, \
overall=33.48, Lipid ID=, KEGG ID= ]", ""}}, {329.2566, 12.319615, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {265.2404, 12.332487, "Meta"} -> 
    {{63236, 53512, 51553}, {"", ""}}, {305.2328, 12.322701, "Meta"} -> 
    {{1, 1, 45208}, {"", ""}}, {230.1879, 12.337853, "Meta"} -> 
    {{86089, 90164, 77895}, {"4-hydroxy-tridecanoic acid [ C13 H26 O3, \
db=63.86, overall=31.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {631.4503, 12.339085, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {312.1359, 12.347117, "Meta"} -> {{82829, 71941, 55574}, {"", ""}}, 
   {388.2607, 12.350721, "Meta"} -> {{28047, 17938, 24924}, 
     {"7,12-Dioxo-5beta-cholan-24-oic Acid [ C24 H36 O4, db=77.22, \
overall=38.61, Lipid ID=, KEGG ID= ]", ""}}, {328.2249, 12.339256, "Meta"} -> 
    {{115652, 172099, 95427}, {"9,12,13-trihydroxy-10,15-octadecadienoic acid \
[ C18 H32 O5, db=76.40, overall=38.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {425.3361, 12.35692, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {408.3088, 12.36271, "Meta"} -> {{1, 85064, 33718}, {"", ""}}, 
   {281.2354, 12.3655615, "Meta"} -> {{184201, 182546, 159228}, {"", ""}}, 
   {360.1656, 12.382274, "Meta"} -> {{1, 59415, 53297}, 
     {"Leu Asn Asp [ C14 H24 N4 O7, db=77.19, overall=38.60 ]", ""}}, 
   {338.2439, 12.380382, "Meta"} -> {{54646, 32844, 55674}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=74.85, overall=37.42, KEGG ID=, \
CAS ID= ]", ""}}, {436.1472, 12.383839, "Meta"} -> {{1, 1, 42549}, {"", ""}}, 
   {376.1198, 12.386286, "Meta"} -> {{54072, 47999, 43761}, 
     {"Asp Asn Glu [ C13 H20 N4 O9, db=55.52, overall=27.76 ]", ""}}, 
   {278.1519, 12.387778, "Meta"} -> {{3482478, 3447575, 3197266}, {"", ""}}, 
   {148.0158, 12.3895, "Meta"} -> {{389247, 352754, 320483}, {"", ""}}, 
   {204.0784, 12.3909445, "Meta"} -> {{236458, 231875, 203253}, {"", ""}}, 
   {396.2873, 12.403235, "Meta"} -> {{146717, 144502, 135356}, 
     {"PGF2alpha isopropyl ester [ C23 H40 O5, db=87.08, overall=43.54, Lipid \
ID=LMFA03010076, KEGG ID= ]", ""}}, {276.17, 12.37928, "Meta"} -> 
    {{20202, 17047, 18818}, {"cyclandelate [ C17 H24 O3, db=51.06, \
overall=25.53, KEGG ID=, CAS ID=456-59-7 ]", "456-59-7"}}, 
   {607.326, 12.407581, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {675.4764, 12.4054, "Meta"} -> {{47433, 48502, 45359}, {"", ""}}, 
   {487.2618, 12.410424, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {562.256, 12.410714, "Meta"} -> {{1, 1, 1}, {"Protoporphyrin [ C34 H34 N4 \
O4, db=79.79, overall=39.90, KEGG ID=C01079, CAS ID=553-12-8 ]", 
      "553-12-8"}}, {547.2891, 12.410121, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {449.3139, 12.410828, "Meta"} -> {{1, 85019, 71397}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=99.45, overall=49.73, HMP \
ID=HMDB00708, KEGG ID= ]", ""}}, {505.2336, 12.410571, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {431.3035, 12.411553, "Meta"} -> 
    {{59590, 55642, 55535}, {"", ""}}, {413.2934, 12.41158, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {491.3008, 12.412041, "Meta"} -> 
    {{34092, 1, 1}, {"", ""}}, {1312.7719, 12.4140005, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {851.5811, 12.417131, "Meta"} -> 
    {{1, 1, 1}, {"C20-OHSulfatide [ C44 H85 N O12 S, db=89.76, overall=44.88, \
Lipid ID=LMSP06020005, KEGG ID= ]", ""}}, {467.301, 12.424151, "Meta"} -> 
    {{706149, 407738, 299396}, {"Myristoyl L-a-lysophosphatidylcholine [ C22 \
H46 N O7 P, db=96.32, overall=48.16, KEGG ID=, CAS ID=20559-16-4 ]", 
      "20559-16-4"}}, {469.361, 12.42775, "Meta"} -> 
    {{132610, 136832, 128427}, {"", ""}}, {452.3344, 12.426857, "Meta"} -> 
    {{190449, 230718, 226808}, {"", ""}}, {505.2485, 12.426792, "Meta"} -> 
    {{49046, 29118, 16823}, {"", ""}}, {863.4587, 12.424135, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {614.2372, 12.435374, "Meta"} -> 
    {{28075, 21094, 22053}, {"", ""}}, {324.0821, 12.4366255, "Meta"} -> 
    {{162184, 1452714, 270864}, {"", ""}}, {274.2141, 12.443, "Meta"} -> 
    {{637975, 252487, 122083}, {"2,15-dihydroxy-pentadecylic acid [ C15 H30 \
O4, db=98.78, overall=49.39, Lipid ID=LMFA01050082, KEGG ID= ]", ""}}, 
   {256.2038, 12.44312, "Meta"} -> {{41108, 15222, 1}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=62.07, overall=31.03, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {352.171, 12.430658, "Meta"} -> 
    {{39603, 42406, 37374}, {"", ""}}, {370.1815, 12.436501, "Meta"} -> 
    {{88060, 72967, 62610}, {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 \
H30 O5 S, db=68.09, overall=34.04, KEGG ID=, CAS ID=977-36-6 ]", 
      "977-36-6"}}, {500.1792, 12.433194, "Meta"} -> 
    {{31196, 24797, 27536}, {"gamma-Hydroxyphenylbutazone glucuronide [ C25 \
H28 N2 O9, db=72.50, overall=36.25, KEGG ID=, CAS ID= ]", ""}}, 
   {588.225, 12.436315, "Meta"} -> {{98662, 105719, 97564}, {"", ""}}, 
   {504.2695, 12.450472, "Meta"} -> {{27518, 32074, 25269}, {"", ""}}, 
   {528.189, 12.4353895, "Meta"} -> {{71367, 72512, 66723}, {"", ""}}, 
   {414.1453, 12.441296, "Meta"} -> {{47679, 55576, 49164}, {"", ""}}, 
   {270.2135, 12.456722, "Meta"} -> {{368387, 494956, 427530}, {"", ""}}, 
   {292.167, 12.460268, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {719.5026, 12.466721, "Meta"} -> {{36702, 38064, 33625}, {"", ""}}, 
   {399.3347, 12.47114, "Meta"} -> {{1361256, 979064, 778421}, 
     {"Palmitoylcarnitine [ C23 H45 N O4, db=99.77, overall=49.89, Lipid \
ID=LMFA07070004, KEGG ID=C02990 ]", ""}}, {182.1666, 12.464886, "Meta"} -> 
    {{41435, 29867, 28573}, {"7E,9Z-dodecadien-1-ol [ C12 H22 O, db=80.52, \
overall=40.26, Lipid ID=, KEGG ID= ]", ""}}, {242.1878, 12.468251, "Meta"} -> 
    {{275945, 326516, 326203}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 \
O3, db=62.18, overall=31.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {895.6074, 12.470839, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {496.3607, 12.486807, "Meta"} -> {{1, 1, 214946}, {"", ""}}, 
   {513.3873, 12.487667, "Meta"} -> {{203005, 180395, 172215}, {"", ""}}, 
   {384.1933, 12.488749, "Meta"} -> {{100923, 76874, 65149}, {"", ""}}, 
   {250.1204, 12.488947, "Meta"} -> {{58776, 38485, 34834}, 
     {"Ubiquinone [ C14 H18 O4, db=74.11, overall=37.06, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {409.3186, 12.504228, "Meta"} -> 
    {{47219, 45706, 31630}, {"", ""}}, {374.2808, 12.501667, "Meta"} -> 
    {{53586, 60180, 55410}, {"3beta-Hydroxychol-4-en-24-oic Acid [ C24 H38 \
O3, db=92.13, overall=46.07, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2756, 12.501445, "Meta"} -> {{67598, 71083, 81807}, {"", ""}}, 
   {356.2712, 12.505676, "Meta"} -> {{93974, 1, 123841}, 
     {"4,8,12,15,19,21-tetracosahexaenoic acid [ C24 H36 O2, db=94.78, \
overall=47.39, Lipid ID=, KEGG ID= ]", ""}}, {546.153, 12.509251, "Meta"} -> 
    {{20777, 17192, 22874}, {"", ""}}, {331.2721, 12.510544, "Meta"} -> 
    {{35694, 20262, 21255}, {"", ""}}, {449.314, 12.51639, "Meta"} -> 
    {{193669, 170185, 150086}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, \
db=99.24, overall=49.62, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {562.2545, 12.516361, "Meta"} -> {{1, 1, 1}, {"Protoporphyrin [ C34 H34 N4 \
O4, db=70.11, overall=35.05, KEGG ID=C01079, CAS ID=553-12-8 ]", 
      "553-12-8"}}, {505.2343, 12.514931, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {487.2613, 12.517092, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {942.5912, 12.517724, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {391.3102, 12.521373, "Meta"} -> {{46165, 23467, 50867}, 
     {"N,N-(2,2-dihydroxy-ethyl) arachidonoyl amine [ C24 H41 N O3, db=41.49, \
overall=20.74, Lipid ID=LMFA08020028, KEGG ID= ]", ""}}, 
   {768.484, 12.522172, "Meta"} -> {{1, 1, 20976}, {"", ""}}, 
   {547.2912, 12.518182, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {763.5285, 12.522705, "Meta"} -> {{27026, 1, 22230}, {"", ""}}, 
   {612.2584, 12.528093, "Meta"} -> {{60289, 50311, 1}, {"", ""}}, 
   {537.3427, 12.543621, "Meta"} -> {{1, 36027, 31457}, 
     {"GPEtn(10:0/11:0)[U] [ C26 H52 N O8 P, db=59.82, overall=29.91, Lipid \
ID=LMGP02010053, KEGG ID= ]", ""}}, {425.2543, 12.535178, "Meta"} -> 
    {{24337, 19949, 1}, {"GPEtn(14:0/0:0) [ C19 H40 N O7 P, db=66.09, \
overall=33.05, Lipid ID=LMGP02050003, KEGG ID= ]", ""}}, 
   {557.4136, 12.545144, "Meta"} -> {{226390, 208746, 177789}, {"", ""}}, 
   {355.2721, 12.554709, "Meta"} -> {{121318, 149837, 1}, {"", ""}}, 
   {225.2089, 12.554222, "Meta"} -> {{171295, 152042, 145603}, {"", ""}}, 
   {650.3645, 12.549894, "Meta"} -> {{22552, 28183, 25313}, 
     {"Digoxigenin bisdigitoxoside [ C35 H54 O11, db=73.18, overall=36.59, \
KEGG ID=, CAS ID=5297-05-2 ]", "5/2/97"}}, {580.2348, 12.5748005, "Meta"} -> 
    {{142364, 117025, 51446}, {"", ""}}, {501.3662, 12.573688, "Meta"} -> 
    {{124528, 101143, 1}, {"", ""}}, {434.2881, 12.585032, "Meta"} -> 
    {{4107629, 591411, 276608}, {"(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thi\
avitamin D3 3-oxide / (5Z)-(3S)-1alpha,25-dihydroxy-3-deo [ C26 H42 O3 S, \
db=73.08, overall=36.54, Lipid ID=LMST03020052, KEGG ID= ]", ""}}, 
   {467.3008, 12.5836935, "Meta"} -> {{8772903, 5467304, 2702418}, 
     {"Myristoyl L-a-lysophosphatidylcholine [ C22 H46 N O7 P, db=97.87, \
overall=48.94, KEGG ID=, CAS ID=20559-16-4 ]", "20559-16-4"}}, 
   {505.2486, 12.583806, "Meta"} -> {{460692, 314163, 169445}, {"", ""}}, 
   {565.2755, 12.582859, "Meta"} -> {{305223, 243838, 145860}, 
     {" [ C32 H39 N O8, overall=43.39, mfg=86.78 ]", ""}}, 
   {451.3146, 12.585577, "Meta"} -> {{3198222, 328651, 150138}, {"", ""}}, 
   {279.2563, 12.585971, "Meta"} -> {{950632, 1003403, 987610}, {"", ""}}, 
   {319.2485, 12.586908, "Meta"} -> {{636094, 841562, 767406}, 
     {"N-hydroxy arachidonoyl amine [ C20 H33 N O2, db=80.38, overall=40.19, \
Lipid ID=LMFA08020029, KEGG ID= ]", ""}}, {625.3125, 12.582887, "Meta"} -> 
    {{64118, 56527, 31498}, {"", ""}}, {499.2697, 12.597638, "Meta"} -> 
    {{289958, 343537, 303941}, {"", ""}}, {584.4132, 12.599159, "Meta"} -> 
    {{187451, 253116, 1}, {"", ""}}, {601.4399, 12.599721, "Meta"} -> 
    {{222187, 207170, 188444}, {"", ""}}, {246.2193, 12.616779, "Meta"} -> 
    {{103980, 109482, 122588}, {"", ""}}, {367.4175, 12.6358, "Meta"} -> 
    {{17378, 16080, 15448}, {"", ""}}, {579.2638, 12.629876, "Meta"} -> 
    {{128260, 131145, 72227}, {"", ""}}, {541.3169, 12.629602, "Meta"} -> 
    {{1269379, 653631, 488620}, {"", ""}}, {639.2913, 12.632768, "Meta"} -> 
    {{43333, 43137, 1}, 
     {" [ C33 H41 N3 O10, db=0.00, overall=27.22, mfg=54.45 ]", ""}}, 
   {425.3506, 12.640696, "Meta"} -> {{2216694, 1599579, 1224723}, {"", ""}}, 
   {185.1413, 12.638656, "Meta"} -> {{116930, 104311, 102472}, 
     {"N-methyl-Gabapentin [ C10 H19 N O2, db=81.22, overall=40.61, KEGG ID=, \
CAS ID=102937-74-6 ]", "102937-74-6"}}, {285.2666, 12.643584, "Meta"} -> 
    {{1, 29909, 22240}, {"C17 Sphingosine [ C17 H35 N O2, db=57.52, \
overall=28.76, Lipid ID=LMSP01040002, KEGG ID= ]", ""}}, 
   {327.277, 12.625759, "Meta"} -> {{1, 1, 85432}, {"", ""}}, 
   {821.5705, 12.638498, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {268.24, 12.642863, "Meta"} -> {{63396, 93102, 79518}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=79.16, overall=39.58, Lipid \
ID=LMFA01030060, KEGG ID= ]", ""}}, {545.3922, 12.643999, "Meta"} -> 
    {{1, 72036, 1}, {"", ""}}, {302.1891, 12.6535015, "Meta"} -> 
    {{12014, 1, 1}, {"2-Methoxyestradiol [ C19 H26 O3, db=65.37, \
overall=32.69, HMP ID=HMDB00405, KEGG ID= ]", ""}}, 
   {650.4213, 12.651346, "Meta"} -> {{143013, 183234, 166710}, {"", ""}}, 
   {645.466, 12.651555, "Meta"} -> {{200794, 183238, 172775}, {"", ""}}, 
   {335.2434, 12.66379, "Meta"} -> {{635236, 714006, 699903}, {"", ""}}, 
   {256.2034, 12.661515, "Meta"} -> {{62627, 7212, 78090}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=61.28, overall=30.64, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {493.3169, 12.66411, "Meta"} -> 
    {{1494893, 1041597, 572793}, {"", ""}}, {531.2641, 12.663871, "Meta"} -> 
    {{105330, 68729, 39858}, {"", ""}}, {590.3068, 12.671346, "Meta"} -> 
    {{56428, 58895, 54041}, {"D-Urobilinogen [ C33 H42 N4 O6, db=52.07, \
overall=26.03, HMP ID=HMDB04158, KEGG ID= ]", ""}}, 
   {396.1935, 12.680503, "Meta"} -> {{114904, 80094, 77616}, 
     {"Pregnenolone sulfate [ C21 H32 O5 S, db=36.59, overall=18.29, HMP \
ID=HMDB00774, KEGG ID= ]", ""}}, {632.5102, 12.680666, "Meta"} -> 
    {{80936, 87380, 75934}, {"", ""}}, {865.5968, 12.684233, "Meta"} -> 
    {{23807, 24526, 1}, {"", ""}}, {395.2349, 12.689027, "Meta"} -> 
    {{118033, 92170, 89300}, {"", ""}}, {379.2488, 12.687057, "Meta"} -> 
    {{783370, 841164, 766105}, {"Sphingosine-1-phosphate [ C18 H38 N O5 P, \
db=99.36, overall=49.68, KEGG ID=, CAS ID=26993-30-6 ]", "26993-30-6"}}, 
   {319.2487, 12.687944, "Meta"} -> {{2407637, 2104532, 1987244}, 
     {"N-hydroxy arachidonoyl amine [ C20 H33 N O2, db=82.57, overall=41.29, \
Lipid ID=LMFA08020029, KEGG ID= ]", ""}}, {279.2564, 12.689749, "Meta"} -> 
    {{3760779, 3444080, 2833847}, {"", ""}}, {342.3243, 12.690058, "Meta"} -> 
    {{134465, 133290, 111558}, {"", ""}}, {352.236, 12.696232, "Meta"} -> 
    {{193704, 289488, 263786}, {"", ""}}, {180.0781, 12.695332, "Meta"} -> 
    {{95318, 108064, 103614}, {"o-Methoxyhydrocinnamic acid [ C10 H12 O3, \
db=82.64, overall=41.32, KEGG ID=, CAS ID= ]", ""}}, 
   {314.1855, 12.695227, "Meta"} -> {{481849, 680694, 651619}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=73.03, overall=36.52, KEGG ID=, \
CAS ID=38030-57-8 ]", "38030-57-8"}}, {309.2304, 12.69561, "Meta"} -> 
    {{1082844, 1061681, 994042}, {"", ""}}, {475.2699, 12.694333, "Meta"} -> 
    {{145301, 112985, 73655}, {"", ""}}, {236.1406, 12.695944, "Meta"} -> 
    {{68764, 60696, 54713}, {"", ""}}, {689.4924, 12.699888, "Meta"} -> 
    {{171784, 156090, 151730}, {"", ""}}, {672.4659, 12.699749, "Meta"} -> 
    {{145790, 183796, 171580}, {"", ""}}, {609.351, 12.6962595, "Meta"} -> 
    {{1, 1, 1}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl [ C32 H51 N O10, \
db=94.76, overall=47.38, HMP ID=HMDB02474, KEGG ID= ]", ""}}, 
   {382.2147, 12.704666, "Meta"} -> {{1, 1, 1}, {"3,12-Dioxochola-1,4,9(11)-t\
rien-24-oic Acid [ C24 H30 O4, db=73.34, overall=36.67, Lipid ID=, KEGG ID= \
]", ""}}, {589.4187, 12.706942, "Meta"} -> {{64637, 1, 59609}, {"", ""}}, 
   {307.2718, 12.7117195, "Meta"} -> {{1, 20704, 41654}, {"", ""}}, 
   {270.2192, 12.709618, "Meta"} -> {{47692, 115112, 65382}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=85.03, overall=42.52, Lipid \
ID=LMFA01060051, KEGG ID= ]", ""}}, {537.217, 12.694345, "Meta"} -> 
    {{21217, 16208, 29966}, {"", ""}}, {499.2698, 12.711946, "Meta"} -> 
    {{263254, 213202, 134510}, {"", ""}}, {300.2299, 12.716436, "Meta"} -> 
    {{200513, 1, 73756}, {"4-methyl-hexadecanedioic acid [ C17 H32 O4, \
db=79.78, overall=39.89, Lipid ID=, KEGG ID= ]", ""}}, 
   {630.4941, 12.715778, "Meta"} -> {{52140, 50125, 60540}, {"", ""}}, 
   {252.2085, 12.716553, "Meta"} -> {{1, 46004, 27064}, 
     {"2E,4E-hexadecadienoic acid [ C16 H28 O2, db=73.15, overall=36.57, \
Lipid ID=, KEGG ID= ]", ""}}, {914.5783, 12.727905, "Meta"} -> 
    {{1, 25866, 25836}, {"", ""}}, {280.2014, 12.73493, "Meta"} -> 
    {{26830, 35782, 1}, 
     {"12S-HHTrE [ C17 H28 O3, db=42.31, overall=21.16, KEGG ID=, CAS ID= ]", 
      ""}}, {329.2928, 12.71444, "Meta"} -> {{418666, 910842, 980957}, 
     {"", ""}}, {355.2179, 12.744277, "Meta"} -> {{60913, 71397, 73326}, 
     {"p-Hydroxypropoxyphene [ C22 H29 N O3, db=63.66, overall=31.83, KEGG \
ID=, CAS ID=43117-32-4 ]", "43117-32-4"}}, {240.2085, 12.740068, "Meta"} -> 
    {{29111, 41258, 39026}, {"2-pentadecenoic acid [ C15 H28 O2, db=72.07, \
overall=36.04, Lipid ID=, KEGG ID= ]", ""}}, {573.2378, 12.738915, "Meta"} -> 
    {{40896, 25382, 15666}, {"", ""}}, {874.5164, 12.745845, "Meta"} -> 
    {{81178, 67450, 44636}, {"Ivermectin B1a [ C48 H74 O14, db=21.59, \
overall=10.80, KEGG ID=C07970, CAS ID=71827-03-7 ]", "71827-03-7"}}, 
   {615.29, 12.742728, "Meta"} -> {{121960, 84503, 69673}, {"", ""}}, 
   {393.2191, 12.747176, "Meta"} -> {{80907, 117285, 143625}, {"", ""}}, 
   {733.5184, 12.745, "Meta"} -> {{128498, 123460, 118076}, {"", ""}}, 
   {716.4917, 12.745065, "Meta"} -> {{113460, 148644, 131202}, {"", ""}}, 
   {517.3169, 12.746193, "Meta"} -> {{5034531, 3721958, 1836050}, 
     {"Linolenoyl lysolecithin [ C26 H48 N O7 P, db=99.00, overall=49.50, \
KEGG ID=, CAS ID=63163-01-9 ]", "63163-01-9"}}, 
   {555.2641, 12.744076, "Meta"} -> {{363613, 369362, 134222}, 
     {"Leucine Enkephalin [ C28 H37 N5 O7, db=46.08, overall=23.04, KEGG ID=, \
CAS ID=81678-16-2 ]", "81678-16-2"}}, {1096.581, 12.747542, "Meta"} -> 
    {{254737, 186861, 61624}, {"", ""}}, {1058.6335, 12.748626, "Meta"} -> 
    {{572968, 174704, 39150}, {"", ""}}, {451.2698, 12.751194, "Meta"} -> 
    {{204174, 191811, 152923}, {"", ""}}, {1104.6042, 12.750401, "Meta"} -> 
    {{33571, 19655, 1}, {"", ""}}, {594.238, 12.752146, "Meta"} -> 
    {{88917, 54355, 26082}, {"", ""}}, {1661.8961, 12.749751, "Meta"} -> 
    {{81832, 31821, 1}, {"", ""}}, {295.2514, 12.752306, "Meta"} -> 
    {{1.06*^7, 1.11*^7, 1.11*^7}, {"", ""}}, {646.5257, 12.745705, "Meta"} -> 
    {{25490, 54480, 46574}, {"", ""}}, {654.2522, 12.751028, "Meta"} -> 
    {{136917, 86413, 43861}, {"", ""}}, {541.3161, 12.752888, "Meta"} -> 
    {{1.32*^7, 8443592, 3953302}, {"", ""}}, {597.2377, 12.750058, "Meta"} -> 
    {{136288, 75088, 36686}, {"", ""}}, {579.2647, 12.7531395, "Meta"} -> 
    {{804669, 618618, 276601}, 
     {" [ C32 H39 N2 O8, db=0.00, overall=32.44, mfg=64.87 ]", ""}}, 
   {710.2763, 12.752368, "Meta"} -> {{36893, 22605, 1}, {"", ""}}, 
   {639.2909, 12.752972, "Meta"} -> {{201573, 181571, 47613}, 
     {" [ C33 H41 N3 O10, db=0.00, overall=34.40, mfg=68.80 ]", ""}}, 
   {563.2865, 12.751833, "Meta"} -> {{60294, 36601, 1}, {"", ""}}, 
   {278.2243, 12.768029, "Meta"} -> {{217305, 192802, 207279}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=76.66, overall=38.33, Lipid \
ID=LMFA01030148, KEGG ID= ]", ""}}, {958.6044, 12.764857, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1613.8976, 12.766002, "Meta"} -> 
    {{95363, 40525, 1}, {"", ""}}, {358.1711, 12.782434, "Meta"} -> 
    {{48460, 66352, 57827}, {"", ""}}, {298.1468, 12.782714, "Meta"} -> 
    {{60564, 68958, 69178}, {"", ""}}, {345.1374, 12.7813015, "Meta"} -> 
    {{29125, 34198, 22161}, {"", ""}}, {200.1773, 12.781779, "Meta"} -> 
    {{127617, 156752, 131153}, {"Lauric acid [ C12 H24 O2, db=93.72, \
overall=46.86, KEGG ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, 
   {214.1929, 12.781723, "Meta"} -> {{92686, 107539, 89961}, 
     {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, db=85.75, overall=42.87, \
KEGG ID=, CAS ID= ]", ""}}, {254.224, 12.784, "Meta"} -> 
    {{89932, 89211, 90259}, {"7-palmitoleic acid [ C16 H30 O2, db=89.68, \
overall=44.84, Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, 
   {1072.5817, 12.78529, "Meta"} -> {{364498, 207358, 82346}, {"", ""}}, 
   {777.5449, 12.788111, "Meta"} -> {{85965, 96541, 86193}, {"", ""}}, 
   {294.2171, 12.80724, "Meta"} -> {{73741, 50171, 52171}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=65.45, overall=32.73, \
Lipid ID=, KEGG ID= ]", ""}}, {986.6337, 12.798241, "Meta"} -> 
    {{916915, 205197, 71479}, {"", ""}}, {483.3767, 12.801028, "Meta"} -> 
    {{86881, 101917, 95290}, {"", ""}}, {466.3504, 12.800827, "Meta"} -> 
    {{135140, 160371, 160580}, {"", ""}}, {515.2983, 12.801221, "Meta"} -> 
    {{3489002, 2340492, 934560}, {"", ""}}, {272.1993, 12.802755, "Meta"} -> 
    {{111616, 186432, 193415}, {"3-methyl-tetradecanedioic acid [ C15 H28 O4, \
db=87.86, overall=43.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {1002.6305, 12.8012295, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1024.5826, 12.804735, "Meta"} -> {{474689, 226059, 106731}, {"", ""}}, 
   {591.2919, 12.809055, "Meta"} -> {{376886, 333542, 224664}, 
     {" [ C34 H41 N O8, db=0.00, overall=41.36, mfg=82.72 ]", ""}}, 
   {606.2508, 12.808973, "Meta"} -> {{153547, 120459, 64312}, {"", ""}}, 
   {493.3159, 12.811169, "Meta"} -> {{1.61*^7, 1.08*^7, 5721671}, {"", ""}}, 
   {531.2643, 12.810324, "Meta"} -> {{873538, 1, 380189}, {"", ""}}, 
   {549.2373, 12.808871, "Meta"} -> {{129606, 93189, 38794}, {"", ""}}, 
   {454.3057, 12.813647, "Meta"} -> {{23378, 29711, 35926}, 
     {"26,26,26-trifluoro-25-hydroxyvitamin D3 / \
26,26,26-trifluoro-25-hydroxycholecalciferol [ C27 H41 F3 O2, db=85.90, \
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   {414.3129, 12.812971, "Meta"} -> {{44143, 42071, 44090}, 
     {"1alpha,25-dihydroxy-9,11-didehydrovitamin D_3 / \
1alpha,25-dihydroxy-9,11-didehydrocholecalciferol [ C27 H42 O3, db=82.66, \
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   {596.2634, 12.8228445, "Meta"} -> {{23276, 1, 1}, {"", ""}}, 
   {437.2892, 12.8172, "Meta"} -> {{29014, 38366, 28367}, {"", ""}}, 
   {682.4242, 12.824768, "Meta"} -> {{24072, 1, 26822}, {"", ""}}, 
   {398.2432, 12.822418, "Meta"} -> {{455883, 227513, 330682}, {"", ""}}, 
   {677.4712, 12.822635, "Meta"} -> {{28785, 29932, 31455}, {"", ""}}, 
   {256.2036, 12.822162, "Meta"} -> {{87733, 86936, 81490}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=61.54, overall=30.77, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {826.5262, 12.818275, "Meta"} -> 
    {{117185, 1, 67281}, {"", ""}}, {280.2011, 12.8328, "Meta"} -> 
    {{21739, 22827, 1}, 
     {"12S-HHTrE [ C17 H28 O3, db=40.55, overall=20.28, KEGG ID=, CAS ID= ]", 
      ""}}, {821.5706, 12.8296385, "Meta"} -> {{68332, 64679, 63905}, 
     {"", ""}}, {240.2083, 12.832307, "Meta"} -> 
    {{18233, 1, 1}, {"2-pentadecenoic acid [ C15 H28 O2, db=72.97, \
overall=36.49, Lipid ID=, KEGG ID= ]", ""}}, {527.403, 12.835585, "Meta"} -> 
    {{182276, 187317, 177324}, {"", ""}}, {510.3765, 12.837113, "Meta"} -> 
    {{54455, 298285, 281810}, {"", ""}}, {901.4447, 12.842889, "Meta"} -> 
    {{23961, 25104, 18332}, {"", ""}}, {338.2438, 12.854486, "Meta"} -> 
    {{28175, 41268, 58539}, {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=56.30, \
overall=28.15, KEGG ID=, CAS ID= ]", ""}}, {885.4796, 12.842206, "Meta"} -> 
    {{80227, 91184, 63406}, {"", ""}}, {588.2239, 12.856218, "Meta"} -> 
    {{23991, 39094, 44218}, {"", ""}}, {414.1448, 12.856258, "Meta"} -> 
    {{19658, 24838, 36549}, {"", ""}}, {472.187, 12.863851, "Meta"} -> 
    {{14012, 1, 1}, 
     {"Trp His Met [ C22 H28 N6 O4 S, db=36.23, overall=18.12 ]", ""}}, 
   {865.5967, 12.867527, "Meta"} -> {{43273, 45367, 44652}, {"", ""}}, 
   {870.5522, 12.86621, "Meta"} -> {{40872, 47993, 41992}, {"", ""}}, 
   {515.2333, 12.872112, "Meta"} -> {{52411, 68386, 57536}, {"", ""}}, 
   {384.1824, 12.871333, "Meta"} -> {{161965, 47898, 83281}, {"", ""}}, 
   {554.4028, 12.871445, "Meta"} -> {{327817, 394814, 358212}, {"", ""}}, 
   {500.1787, 12.860778, "Meta"} -> {{22768, 27853, 33853}, 
     {"gamma-Hydroxyphenylbutazone glucuronide [ C25 H28 N2 O9, db=78.83, \
overall=39.41, KEGG ID=, CAS ID= ]", ""}}, {444.2075, 12.872678, "Meta"} -> 
    {{126154, 32695, 68763}, {"", ""}}, {477.2857, 12.872913, "Meta"} -> 
    {{893067, 994985, 833581}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=70.03, overall=35.02 ]", ""}}, 
   {560.2004, 12.861138, "Meta"} -> {{14663, 16198, 22191}, {"", ""}}, 
   {571.4295, 12.871741, "Meta"} -> {{245570, 255986, 260044}, {"", ""}}, 
   {370.1814, 12.859806, "Meta"} -> {{70995, 96444, 89846}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=96.30, \
overall=48.15, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {468.1503, 12.861229, "Meta"} -> {{1, 15224, 16102}, {"", ""}}, 
   {352.1708, 12.858888, "Meta"} -> {{20985, 32550, 34254}, {"", ""}}, 
   {286.2145, 12.873165, "Meta"} -> {{8349913, 1933311, 3382584}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=98.68, overall=49.34, HMP \
ID=HMDB00672, KEGG ID= ]", ""}}, {198.1615, 12.874167, "Meta"} -> 
    {{2749959, 663661, 1170410}, {"9-lauroleic acid [ C12 H22 O2, db=98.26, \
overall=49.13, Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, 
   {346.2464, 12.87547, "Meta"} -> {{554936, 132077, 258677}, {"", ""}}, 
   {303.2406, 12.874667, "Meta"} -> {{2594600, 592455, 1102186}, {"", ""}}, 
   {110.1092, 12.874167, "Meta"} -> {{848537, 199977, 355896}, {"", ""}}, 
   {331.272, 12.874617, "Meta"} -> {{321964, 148665, 169649}, {"", ""}}, 
   {312.23, 12.861374, "Meta"} -> {{49362, 1, 18207}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=73.37, \
overall=36.68, Lipid ID=, KEGG ID= ]", ""}}, {360.2661, 12.891426, "Meta"} -> 
    {{72817, 90887, 87531}, {"1alpha,23-dihydroxy-24,25,26,27-tetranorvitamin \
D3 / 1alpha,23-dihydroxy-24,25,26,27-tetranorcholeca [ C23 H36 O3, db=79.75, \
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   {472.2434, 12.8901825, "Meta"} -> {{28702, 39114, 45283}, {"", ""}}, 
   {548.23, 12.8912735, "Meta"} -> {{1, 16146, 14077}, {"", ""}}, 
   {342.2169, 12.894272, "Meta"} -> {{115472, 179888, 253959}, 
     {"Megestrol [ C22 H30 O3, db=77.08, overall=38.54, KEGG ID=C07120, CAS \
ID=3562-63-8 ]", "3562-63-8"}}, {256.2187, 12.893861, "Meta"} -> 
    {{31755, 1, 42193}, {"", ""}}, {927.4605, 12.892209, "Meta"} -> 
    {{11428, 1, 10293}, {"", ""}}, {911.496, 12.892471, "Meta"} -> 
    {{49029, 49466, 41112}, {"", ""}}, {539.2333, 12.903911, "Meta"} -> 
    {{110388, 1, 168658}, {"", ""}}, {501.2855, 12.907584, "Meta"} -> 
    {{2600667, 3149298, 3049610}, {"Fexofenadine [ C32 H39 N O4, db=58.07, \
overall=29.03, KEGG ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {861.5497, 12.909751, "Meta"} -> {{70021, 85651, 85497}, {"", ""}}, 
   {519.3325, 12.914667, "Meta"} -> {{4.66*^7, 3.94*^7, 2.03*^7}, 
     {"1-Linoleoylphosphatidylcholine [ C26 H50 N O7 P, db=99.74, \
overall=49.87, KEGG ID=, CAS ID=5655-12-9 ]", "12/9/55"}}, 
   {1012.6501, 12.914031, "Meta"} -> {{715904, 487784, 206069}, {"", ""}}, 
   {635.2734, 12.919773, "Meta"} -> {{51399, 41179, 32892}, {"", ""}}, 
   {1076.6128, 12.916134, "Meta"} -> {{559409, 481190, 317525}, {"", ""}}, 
   {557.2806, 12.91837, "Meta"} -> {{941417, 1040089, 914870}, {"", ""}}, 
   {541.3017, 12.946648, "Meta"} -> {{111550, 83068, 194339}, {"", ""}}, 
   {688.2915, 12.91703, "Meta"} -> {{88058, 73231, 68217}, {"", ""}}, 
   {853.5446, 12.919279, "Meta"} -> {{31018, 42042, 60345}, {"", ""}}, 
   {632.2664, 12.917572, "Meta"} -> {{167675, 147670, 123376}, {"", ""}}, 
   {1091.581, 12.917712, "Meta"} -> {{130562, 109231, 64922}, {"", ""}}, 
   {183.0655, 12.927937, "Meta"} -> {{238826, 185869, 131095}, {"", ""}}, 
   {1060.6475, 12.934857, "Meta"} -> {{3373190, 2600612, 305998}, {"", ""}}, 
   {1044.618, 12.990282, "Meta"} -> {{343157, 257885, 244666}, {"", ""}}, 
   {2658.6086, 13.000936, "Meta"} -> {{150070, 768845, 801582}, {"", ""}}, 
   {239.0918, 12.93324, "Meta"} -> {{1, 27389, 26246}, {"", ""}}, 
   {1619.9443, 12.934193, "Meta"} -> {{1, 1, 127234}, {"", ""}}, 
   {1000.6499, 12.928946, "Meta"} -> {{825902, 573565, 303219}, {"", ""}}, 
   {481.3173, 12.937497, "Meta"} -> {{3104790, 2599587, 1578641}, 
     {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=99.47, overall=49.74, Lipid \
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    {{405918, 319328, 254590}, {"", ""}}, {519.2655, 12.939625, "Meta"} -> 
    {{131953, 133386, 118613}, {"", ""}}, {617.3076, 12.924249, "Meta"} -> 
    {{1, 300529, 287380}, {"", ""}}, {1661.919, 13.038292, "Meta"} -> 
    {{1, 54740, 1}, {"", ""}}, {659.482, 12.942501, "Meta"} -> 
    {{294934, 330999, 331792}, {"", ""}}, {953.6495, 12.939168, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {642.4556, 12.942776, "Meta"} -> 
    {{349990, 415451, 395028}, {"", ""}}, {543.3319, 12.949862, "Meta"} -> 
    {{2.3*^7, 1.72*^7, 1.02*^7}, {"Arachidonyl lysolecithin [ C28 H50 N O7 P, \
db=98.77, overall=49.38, KEGG ID=, CAS ID=63163-02-0 ]", "63163-02-0"}}, 
   {581.2797, 12.951424, "Meta"} -> {{643081, 602942, 555141}, {"", ""}}, 
   {656.2662, 12.954677, "Meta"} -> {{97865, 84838, 58473}, {"", ""}}, 
   {1673.9594, 13.010462, "Meta"} -> {{58610, 21721, 30267}, {"", ""}}, 
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   {1139.5815, 13.031221, "Meta"} -> {{91935, 1, 32311}, {"", ""}}, 
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   {791.5607, 13.040998, "Meta"} -> {{1, 195358, 159153}, 
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   {1148.6106, 13.078375, "Meta"} -> {{103874, 95316, 64232}, {"", ""}}, 
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   {413.1753, 13.097616, "Meta"} -> {{1, 36787, 44440}, 
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   {923.6393, 13.128447, "Meta"} -> {{100006, 120062, 109901}, {"", ""}}, 
   {369.2878, 13.135938, "Meta"} -> {{35411, 36267, 1}, 
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   {210.198, 13.161266, "Meta"} -> {{47827, 28710, 31275}, 
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     {"Trp Met Arg [ C22 H33 N7 O4 S, db=87.08, overall=43.54 ]", ""}}, 
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   {717.5241, 13.237333, "Meta"} -> {{270850, 305761, 331975}, 
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   {802.5656, 13.49772, "Meta"} -> {{586365, 716729, 607788}, 
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     {"", ""}}, {1165.6327, 13.499093, "Meta"} -> {{130346, 179309, 129245}, 
     {"", ""}}, {1151.618, 13.505199, "Meta"} -> {{204113, 82114, 150545}, 
     {"", ""}}, {988.6857, 13.50629, "Meta"} -> {{569290, 886113, 547515}, 
     {"", ""}}, {339.2883, 13.506903, "Meta"} -> {{251682, 218011, 351734}, 
     {"", ""}}, {517.285, 13.498918, "Meta"} -> {{248017, 244092, 260727}, 
     {"", ""}}, {765.5234, 13.503918, "Meta"} -> {{185887, 116045, 117472}, 
     {"", ""}}, {1399.899, 13.508409, "Meta"} -> {{25848, 35563, 1}, 
     {"", ""}}, {1050.7004, 13.5051985, "Meta"} -> 
    {{743724, 897026, 587982}, {"", ""}}, {1026.6353, 13.507728, "Meta"} -> 
    {{75859, 84429, 88577}, {"", ""}}, {1092.7122, 13.491323, "Meta"} -> 
    {{1, 689774, 228038}, {"", ""}}, {477.1903, 13.515063, "Meta"} -> 
    {{20066, 35362, 13407}, {"3,5-Pyridinedicarboxylic acid, \
2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino] [ C26 \
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      "59875-58-0"}}, {279.2562, 13.510799, "Meta"} -> 
    {{413807, 1010695, 1786585}, {"", ""}}, {1123.622, 13.4977045, "Meta"} -> 
    {{30431, 84029, 1}, {"", ""}}, {598.2433, 13.509795, "Meta"} -> 
    {{27302, 29440, 1}, {"", ""}}, {846.5917, 13.509481, "Meta"} -> 
    {{95604, 1, 1}, {"", ""}}, {863.6182, 13.510503, "Meta"} -> 
    {{595137, 709647, 643254}, {"C22 Sulfatide [ C46 H89 N O11 S, db=87.95, \
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   {885.5996, 13.517038, "Meta"} -> {{53846, 1, 1}, {"", ""}}, 
   {612.2584, 13.509334, "Meta"} -> {{319508, 348731, 329150}, {"", ""}}, 
   {580.2323, 13.509277, "Meta"} -> {{401542, 535337, 465301}, {"", ""}}, 
   {547.2957, 13.523854, "Meta"} -> {{383052, 341460, 313404}, {"", ""}}, 
   {644.2847, 13.51143, "Meta"} -> {{1, 1, 677451}, {"", ""}}, 
   {509.3475, 13.52603, "Meta"} -> {{1.59*^7, 1.35*^7, 1.11*^7}, {"", ""}}, 
   {658.2652, 13.513304, "Meta"} -> {{58306, 50690, 59945}, {"", ""}}, 
   {607.3208, 13.524964, "Meta"} -> {{164714, 171686, 166262}, {"", ""}}, 
   {907.6449, 13.525166, "Meta"} -> {{728623, 757362, 729575}, 
     {"3-O-Sulfogalactosylceramide [ C48 H93 N O12 S, db=86.45, \
overall=43.23, HMP ID=HMDB00024, KEGG ID= ]", ""}}, 
   {890.6182, 13.524207, "Meta"} -> {{119942, 763689, 652432}, {"", ""}}, 
   {720.3006, 13.519515, "Meta"} -> {{33353, 32802, 27179}, {"", ""}}, 
   {672.2796, 13.517088, "Meta"} -> {{245277, 270030, 1}, {"", ""}}, 
   {571.3639, 13.521864, "Meta"} -> {{6700440, 5650407, 4479400}, {"", ""}}, 
   {354.2171, 13.571854, "Meta"} -> {{23113, 42097, 96218}, 
     {"Levonorgestrel acetate [ C23 H30 O3, db=64.58, overall=32.29, KEGG \
ID=, CAS ID=13732-69-9 ]", "13732-69-9"}}, {814.5046, 13.536868, "Meta"} -> 
    {{117060, 91849, 90415}, {"", ""}}, {809.5497, 13.531092, "Meta"} -> 
    {{139733, 71792, 92121}, {"", ""}}, {734.3164, 13.525888, "Meta"} -> 
    {{98082, 102973, 81727}, {"", ""}}, {299.2825, 13.542036, "Meta"} -> 
    {{93841, 89250, 202192}, {"3-Dehydrosphinganine [ C18 H37 N O2, db=93.67, \
overall=46.83, KEGG ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {706.3211, 13.528087, "Meta"} -> {{37981, 50599, 44446}, {"", ""}}, 
   {1369.8884, 13.563042, "Meta"} -> {{1, 23434, 1}, {"", ""}}, 
   {934.6437, 13.537066, "Meta"} -> {{68367, 90287, 65313}, {"", ""}}, 
   {951.6706, 13.535638, "Meta"} -> {{716679, 760605, 615886}, {"", ""}}, 
   {395.3035, 13.538113, "Meta"} -> {{199514, 155589, 156950}, {"", ""}}, 
   {400.2588, 13.538917, "Meta"} -> {{554471, 435765, 415740}, 
     {"Ophiobolin A [ C25 H36 O4, db=54.29, overall=27.15, Lipid \
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    {{137786, 126121, 113798}, {"Diphenoxylate [ C30 H32 N2 O2, db=83.13, \
overall=41.56, KEGG ID=C07872, CAS ID=915-30-0 ]", "915-30-0"}}, 
   {354.2765, 13.544889, "Meta"} -> {{4080570, 3315848, 3090211}, 
     {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 O4, db=86.35, \
overall=43.17, KEGG ID=, CAS ID= ]", ""}}, {491.2062, 13.533772, "Meta"} -> 
    {{77247, 95528, 79106}, 
     {"Tyr Phe Tyr [ C27 H29 N3 O6, db=57.52, overall=28.76 ]", ""}}, 
   {414.3093, 13.543919, "Meta"} -> {{351617, 339342, 316331}, {"", ""}}, 
   {371.3036, 13.545373, "Meta"} -> {{1241859, 955928, 910772}, {"", ""}}, 
   {1000.6522, 13.561621, "Meta"} -> {{124820, 147437, 1}, {"", ""}}, 
   {995.6966, 13.547221, "Meta"} -> {{577138, 628539, 496499}, {"", ""}}, 
   {262.2296, 13.545572, "Meta"} -> {{233870, 204417, 193535}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=92.20, overall=46.10, Lipid \
ID=, KEGG ID= ]", ""}}, {396.2665, 13.645791, "Meta"} -> 
    {{1, 72417, 122671}, {"", ""}}, {508.8397, 13.549695, "Meta"} -> 
    {{106806, 127234, 126755}, {"", ""}}, {1022.6367, 13.552206, "Meta"} -> 
    {{88947, 105849, 98747}, {"", ""}}, {267.2559, 13.55222, "Meta"} -> 
    {{253940, 158067, 171749}, {"", ""}}, {853.5758, 13.555092, "Meta"} -> 
    {{109908, 67483, 66265}, {"", ""}}, {501.2539, 13.558999, "Meta"} -> 
    {{59424, 45653, 57806}, {"", ""}}, {858.5316, 13.556654, "Meta"} -> 
    {{91818, 57681, 50382}, {"", ""}}, {1028.648, 13.573232, "Meta"} -> 
    {{123990, 111384, 103247}, {"", ""}}, {837.5203, 13.564915, "Meta"} -> 
    {{60969, 40724, 1}, {"", ""}}, {519.8613, 13.559681, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1056.7491, 13.56075, "Meta"} -> 
    {{109957, 104893, 107381}, {"", ""}}, {530.8529, 13.562063, "Meta"} -> 
    {{127787, 132889, 149118}, {"", ""}}, {463.3064, 13.56053, "Meta"} -> 
    {{1160067, 1182903, 1807738}, {"", ""}}, {334.1441, 13.569034, "Meta"} -> 
    {{70569, 67301, 62959}, 
     {"Arg Cys Gly [ C11 H22 N6 O4 S, db=50.72, overall=25.36 ]", ""}}, 
   {376.1987, 13.568419, "Meta"} -> {{91183, 88396, 99295}, 
     {"Glu Thr Lys [ C15 H28 N4 O7, db=67.35, overall=33.68 ]", ""}}, 
   {316.1717, 13.568858, "Meta"} -> {{44433, 45002, 49168}, 
     {"Ala Asn Leu [ C13 H24 N4 O5, db=54.09, overall=27.05 ]", ""}}, 
   {278.2244, 13.568999, "Meta"} -> {{452422, 497098, 510989}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=86.05, overall=43.02, Lipid \
ID=LMFA01030148, KEGG ID= ]", ""}}, {295.2523, 13.578938, "Meta"} -> 
    {{426267, 414753, 454704}, {"", ""}}, {1088.7043, 13.572557, "Meta"} -> 
    {{322925, 362953, 337998}, {"", ""}}, {1110.6956, 13.577559, "Meta"} -> 
    {{135673, 129503, 1}, {"", ""}}, {960.6902, 13.570629, "Meta"} -> 
    {{136576, 174302, 205422}, {"", ""}}, {902.5572, 13.5793, "Meta"} -> 
    {{64104, 37325, 39525}, {"", ""}}, {897.6025, 13.580344, "Meta"} -> 
    {{92647, 57845, 43227}, {"", ""}}, {294.2172, 13.592863, "Meta"} -> 
    {{48147, 48352, 45367}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, \
db=68.48, overall=34.24, Lipid ID=, KEGG ID= ]", ""}}, 
   {466.3728, 13.589202, "Meta"} -> {{54869, 53857, 68978}, {"", ""}}, 
   {519.3001, 13.581778, "Meta"} -> {{299409, 337249, 316346}, {"", ""}}, 
   {594.2896, 13.585677, "Meta"} -> {{56928, 67537, 1}, 
     {" [ C33 H42 N2 O8, db=0.00, overall=30.00, mfg=60.00 ]", ""}}, 
   {1132.7306, 13.584446, "Meta"} -> {{229868, 261511, 217329}, {"", ""}}, 
   {481.3526, 13.5835, "Meta"} -> {{1.57*^7, 1.73*^7, 1.61*^7}, 
     {"1-O-Hexadecyl-2-lyso-glycero-3-phosphorylcholine [ C24 H52 N O6 P, \
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   {579.3257, 13.584827, "Meta"} -> {{169402, 191049, 211631}, {"", ""}}, 
   {421.3402, 13.600849, "Meta"} -> {{572363, 282200, 352719}, {"", ""}}, 
   {364.2589, 13.5994625, "Meta"} -> {{149421, 138980, 145938}, 
     {"11-deoxy-16,16-dimethyl-PGE2 [ C22 H36 O4, db=63.57, overall=31.78, \
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    {{514896, 278150, 249086}, {"", ""}}, {1545.9933, 13.579229, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1176.7563, 13.596857, "Meta"} -> 
    {{169763, 309783, 201462}, {"", ""}}, {404.3139, 13.602781, "Meta"} -> 
    {{2671446, 1421844, 1452791}, {"", ""}}, {599.8735, 13.598457, "Meta"} -> 
    {{1, 1, 32165}, {"", ""}}, {946.5852, 13.60276, "Meta"} -> 
    {{39625, 24150, 25400}, {"", ""}}, {547.3639, 13.597056, "Meta"} -> 
    {{1.05*^7, 7237020, 6755442}, {"", ""}}, {941.6301, 13.598959, "Meta"} -> 
    {{85862, 43092, 66700}, {"", ""}}, {585.3108, 13.596875, "Meta"} -> 
    {{265435, 228764, 191799}, {"", ""}}, {358.2483, 13.611223, "Meta"} -> 
    {{66880, 96773, 108664}, {"", ""}}, {312.2663, 13.609001, "Meta"} -> 
    {{971343, 585259, 615836}, {"18-oxo-nonadecanoic acid [ C19 H36 O3, \
db=91.98, overall=45.99, Lipid ID=, KEGG ID= ]", ""}}, 
   {1215.8278, 13.60837, "Meta"} -> {{374947, 1, 389266}, {"", ""}}, 
   {1220.7823, 13.607741, "Meta"} -> {{125649, 168168, 242590}, {"", ""}}, 
   {1232.8549, 13.610902, "Meta"} -> {{133532, 126048, 141655}, {"", ""}}, 
   {451.3062, 13.630885, "Meta"} -> {{228688, 1, 128862}, {"", ""}}, 
   {773.5247, 13.616361, "Meta"} -> {{193704, 102328, 173221}, {"", ""}}, 
   {1264.8105, 13.619029, "Meta"} -> {{145869, 132138, 133097}, {"", ""}}, 
   {993.6999, 13.622969, "Meta"} -> {{37488, 55410, 37853}, {"", ""}}, 
   {629.9261, 13.618459, "Meta"} -> {{1, 208310, 1}, {"", ""}}, 
   {271.2509, 13.618684, "Meta"} -> {{91661, 87203, 89977}, 
     {"2R-aminohexadecanoic acid [ C16 H33 N O2, db=94.88, overall=47.44, \
Lipid ID=, KEGG ID= ]", ""}}, {367.1602, 13.626543, "Meta"} -> 
    {{59276, 62091, 50881}, {"prasterone sulfate [ C19 H27 O5 S, db=49.48, \
overall=24.74, KEGG ID=, CAS ID=78590-17-7 ]", "78590-17-7"}}, 
   {1276.8809, 13.6216545, "Meta"} -> {{129259, 134818, 144130}, {"", ""}}, 
   {254.2244, 13.625055, "Meta"} -> {{601862, 480668, 587823}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=96.21, overall=48.11, Lipid \
ID=LMFA01030055, KEGG ID= ]", ""}}, {356.2328, 13.633856, "Meta"} -> 
    {{146895, 148169, 195760}, {"Estradiol valerate [ C23 H32 O3, db=47.05, \
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   {370.17, 13.628917, "Meta"} -> {{47873, 48475, 50094}, {"", ""}}, 
   {352.1935, 13.626401, "Meta"} -> {{1, 1, 215956}, {"", ""}}, 
   {308.235, 13.627833, "Meta"} -> {{3217999, 3876466, 3850719}, 
     {"methyl 9,10-epoxy-12,15-octadecadienoate [ C19 H32 O3, db=72.91, \
overall=36.45, Lipid ID=, KEGG ID= ]", ""}}, {236.2138, 13.625389, "Meta"} -> 
    {{103149, 77935, 101747}, {"6,11-hexadecadienal [ C16 H28 O, db=62.84, \
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    {{71265, 90837, 85975}, {"ZK 159222 [ C32 H48 O5, db=76.77, \
overall=38.39, Lipid ID=LMST03020621, KEGG ID= ]", ""}}, 
   {325.2617, 13.630723, "Meta"} -> {{417242, 436278, 490905}, 
     {"50oxo-ETE-d7 [ C20 H23 D7 O3, db=54.79, overall=27.39, Lipid \
ID=LMFA03060083, KEGG ID= ]", ""}}, {472.3549, 13.629856, "Meta"} -> 
    {{33450, 38434, 31835}, {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehyd\
ro-23-oxavitamin D3 / 26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=78.46, \
overall=39.23, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {290.2243, 13.629774, "Meta"} -> {{187525, 177473, 174780}, 
     {"Androsterone [ C19 H30 O2, db=84.81, overall=42.40, KEGG ID=C00523, \
CAS ID=53-41-8 ]", "53-41-8"}}, {1303.8798, 13.632357, "Meta"} -> 
    {{187289, 68149, 256172}, {"", ""}}, {1308.8383, 13.623311, "Meta"} -> 
    {{1, 44721, 132187}, {"", ""}}, {1320.9062, 13.631161, "Meta"} -> 
    {{1, 103175, 115949}, {"", ""}}, {484.3163, 13.628167, "Meta"} -> 
    {{86071, 69926, 1}, {"", ""}}, {589.3743, 13.630784, "Meta"} -> 
    {{245332, 222263, 167530}, {"", ""}}, {1347.9061, 13.640295, "Meta"} -> 
    {{40263, 72530, 73063}, {"", ""}}, {1364.9329, 13.639176, "Meta"} -> 
    {{1, 98696, 128806}, {"", ""}}, {543.3015, 13.631483, "Meta"} -> 
    {{29092, 52055, 52165}, {"", ""}}, {268.2188, 13.641944, "Meta"} -> 
    {{822029, 733185, 664233}, {"", ""}}, {505.3532, 13.638071, "Meta"} -> 
    {{2288069, 2569172, 2097390}, {"", ""}}, 
   {1408.9576, 13.652612, "Meta"} -> {{82836, 85102, 95827}, {"", ""}}, 
   {1418.8726, 13.652807, "Meta"} -> {{1, 58890, 82151}, {"", ""}}, 
   {380.2538, 13.661728, "Meta"} -> {{1, 36663, 33750}, 
     {"16,16-dimethyl-PGE2 [ C22 H36 O5, db=43.84, overall=21.92, Lipid \
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    {{433801, 381789, 605564}, {"", ""}}, {456.3809, 13.659138, "Meta"} -> 
    {{63332, 54548, 68209}, {"", ""}}, {1452.9851, 13.655355, "Meta"} -> 
    {{65766, 67150, 74845}, {"", ""}}, {1462.9037, 13.658624, "Meta"} -> 
    {{43938, 46271, 42670}, {"", ""}}, {1457.9413, 13.6546545, "Meta"} -> 
    {{77764, 102132, 1}, {"", ""}}, {535.364, 13.656915, "Meta"} -> 
    {{1266852, 1358935, 943733}, {"", ""}}, {315.2885, 13.664111, "Meta"} -> 
    {{567388, 523252, 744514}, {"", ""}}, {255.2563, 13.666528, "Meta"} -> 
    {{2056235, 1894573, 2545646}, {"", ""}}, {1497.008, 13.670268, "Meta"} -> 
    {{43794, 34297, 49669}, {"", ""}}, {300.3139, 13.665778, "Meta"} -> 
    {{35077, 26773, 52415}, {"", ""}}, {750.9837, 13.667515, "Meta"} -> 
    {{33308, 41501, 42202}, {"", ""}}, {1541.0359, 13.675578, "Meta"} -> 
    {{1, 31990, 43972}, {"", ""}}, {561.3118, 13.6438, "Meta"} -> 
    {{340790, 305719, 266872}, {"", ""}}, {419.3251, 13.692777, "Meta"} -> 
    {{392977, 318382, 394147}, {"", ""}}, {585.5332, 13.689299, "Meta"} -> 
    {{142735, 87027, 452461}, {"", ""}}, {728.5284, 13.694607, "Meta"} -> 
    {{222517, 263097, 195256}, {" 1-heptadecanoyl, \
2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate [ C40 H75 N O8 P, \
db=67.05, overall=33.53, KEGG ID=, CAS ID= ]", ""}}, 
   {657.5026, 13.693542, "Meta"} -> {{35395, 37737, 42093}, {"", ""}}, 
   {745.5551, 13.695362, "Meta"} -> {{173204, 186950, 212675}, 
     {"GPEtn(18:0/18:1(9Z))[U] [ C41 H80 N O8 P, db=60.81, overall=30.41, \
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    {{287180, 272360, 307353}, {"", ""}}, {988.6896, 13.703807, "Meta"} -> 
    {{96883, 115858, 111686}, {"", ""}}, {481.3164, 13.701916, "Meta"} -> 
    {{5031466, 4687384, 4030815}, {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, \
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   {833.6076, 13.703074, "Meta"} -> {{365478, 377742, 447089}, {"", ""}}, 
   {742.5407, 13.7042, "Meta"} -> {{68463, 57006, 51977}, {"", ""}}, 
   {312.2665, 13.707916, "Meta"} -> {{1376110, 984767, 1043840}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=99.80, overall=49.90, Lipid \
ID=, KEGG ID= ]", ""}}, {493.3533, 13.702571, "Meta"} -> 
    {{603131, 598131, 540285}, {"", ""}}, {758.5224, 13.708063, "Meta"} -> 
    {{298816, 227768, 219250}, {"", ""}}, {690.5228, 13.667901, "Meta"} -> 
    {{35150, 539915, 667716}, {"1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(7Z,\
10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol [ C45 H70 O5, db=79.54, \
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    {{40575, 32633, 39689}, {"", ""}}, {330.2764, 13.70722, "Meta"} -> 
    {{4.29*^7, 3.24*^7, 3.27*^7}, {"1-hexadecanoyl-sn-glycerol [ C19 H38 O4, \
db=96.78, overall=48.39, KEGG ID=, CAS ID= ]", ""}}, 
   {1359.0566, 13.708065, "Meta"} -> {{581408, 355362, 333669}, {"", ""}}, 
   {698.5018, 13.707211, "Meta"} -> {{135680, 101307, 94663}, {"", ""}}, 
   {347.3029, 13.707416, "Meta"} -> {{4817964, 3483468, 4759514}, {"", ""}}, 
   {1179.8202, 13.7051325, "Meta"} -> {{327756, 257430, 241389}, {"", ""}}, 
   {708.5384, 13.711206, "Meta"} -> {{117650, 99368, 114182}, {"", ""}}, 
   {446.2179, 13.704512, "Meta"} -> {{236582, 167020, 127753}, 
     {"Trp Glu Leu [ C22 H30 N4 O6, db=57.78, overall=28.89 ]", ""}}, 
   {428.2451, 13.707165, "Meta"} -> {{733009, 585084, 558157}, {"", ""}}, 
   {238.2293, 13.707944, "Meta"} -> {{371801, 274950, 315296}, 
     {"cis-11-Hexadecenal [ C16 H30 O, db=98.92, overall=49.46, KEGG ID=, CAS \
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    {{250187, 190597, 132683}, {"", ""}}, {877.6339, 13.707833, "Meta"} -> 
    {{490449, 535247, 627007}, {"", ""}}, {390.3095, 13.707778, "Meta"} -> 
    {{1380389, 1113859, 995734}, {"", ""}}, {361.3191, 13.7076845, "Meta"} -> 
    {{129116, 91843, 93430}, {"", ""}}, {488.2747, 13.70686, "Meta"} -> 
    {{129269, 117235, 142712}, {"Hydrocortisone butyrate propionate [ C28 H40 \
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   {636.4941, 13.70936, "Meta"} -> {{156314, 176465, 144364}, {"", ""}}, 
   {1205.8732, 13.708405, "Meta"} -> {{225424, 189560, 182780}, {"", ""}}, 
   {327.2883, 13.575701, "Meta"} -> {{59741, 62117, 69843}, {"", ""}}, 
   {875.5992, 13.708193, "Meta"} -> {{147297, 127436, 140172}, {"", ""}}, 
   {920.6385, 13.710331, "Meta"} -> {{1, 67940, 1}, {"", ""}}, 
   {499.2362, 13.707289, "Meta"} -> {{95465, 71345, 60252}, {"", ""}}, 
   {660.4944, 13.711299, "Meta"} -> {{122371, 136301, 113329}, {"", ""}}, 
   {899.616, 13.707419, "Meta"} -> {{34717, 1, 42110}, {"", ""}}, 
   {904.6328, 13.710101, "Meta"} -> {{695657, 808156, 106225}, {"", ""}}, 
   {860.6077, 13.708208, "Meta"} -> {{1, 707797, 1}, {"", ""}}, 
   {497.3691, 13.71389, "Meta"} -> {{22302, 20833, 32644}, {"", ""}}, 
   {921.6601, 13.713472, "Meta"} -> {{594854, 605774, 799624}, {"", ""}}, 
   {507.3686, 13.708972, "Meta"} -> {{6015130, 7004008, 5278587}, {"", ""}}, 
   {938.6867, 13.711778, "Meta"} -> {{31297, 40688, 67901}, {"", ""}}, 
   {284.2349, 13.715, "Meta"} -> {{175073, 220383, 230795}, 
     {"2-oxo-heptadecanoic acid [ C17 H32 O3, db=75.45, overall=37.73, Lipid \
ID=, KEGG ID= ]", ""}}, {1026.7396, 13.723305, "Meta"} -> 
    {{56659, 64261, 147375}, {"", ""}}, {335.3185, 13.717598, "Meta"} -> 
    {{90204, 90824, 90544}, {"", ""}}, {965.6862, 13.719054, "Meta"} -> 
    {{607642, 614687, 727244}, {"", ""}}, {982.7166, 13.718828, "Meta"} -> 
    {{47334, 42915, 114415}, {"Thermozeaxanthin-17/ Zeaxanthin glucoside \
ester [ C63 H98 O8, db=32.76, overall=16.38, Lipid ID=LMPR01070109, KEGG ID= \
]", ""}}, {482.8427, 13.7168665, "Meta"} -> {{22185, 25802, 31961}, 
     {"", ""}}, {992.6864, 13.722834, "Meta"} -> {{515723, 588244, 62341}, 
     {"", ""}}, {504.8561, 13.722639, "Meta"} -> {{30700, 42306, 41476}, 
     {"", ""}}, {1031.695, 13.723343, "Meta"} -> {{124513, 133585, 177480}, 
     {"", ""}}, {1009.7122, 13.727061, "Meta"} -> {{606772, 652530, 811437}, 
     {"", ""}}, {1058.6993, 13.73592, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1053.7383, 13.736089, "Meta"} -> {{687504, 691131, 854846}, {"", ""}}, 
   {338.2818, 13.758765, "Meta"} -> {{323215, 30175, 285609}, {"", ""}}, 
   {1119.7476, 13.730624, "Meta"} -> {{142504, 170020, 1}, {"", ""}}, 
   {1114.7919, 13.734138, "Meta"} -> {{81264, 81146, 233258}, {"", ""}}, 
   {1102.7205, 13.739172, "Meta"} -> {{439851, 101201, 370821}, {"", ""}}, 
   {1141.7909, 13.747208, "Meta"} -> {{329738, 1, 708369}, {"", ""}}, 
   {1158.8184, 13.738751, "Meta"} -> {{105502, 108236, 253281}, {"", ""}}, 
   {1146.747, 13.749473, "Meta"} -> {{377314, 447204, 274679}, {"", ""}}, 
   {1202.8444, 13.744382, "Meta"} -> {{121873, 121131, 295175}, 
     {"Ganglioside GA2 (d18:1/26:1(17Z)) [ C64 H118 N2 O18, db=68.60, \
overall=34.30, HMP ID=HMDB04895, KEGG ID= ]", ""}}, 
   {1185.8173, 13.754801, "Meta"} -> {{483194, 519311, 594074}, {"", ""}}, 
   {1190.7725, 13.755764, "Meta"} -> {{289575, 449253, 296772}, {"", ""}}, 
   {1011.7083, 13.866961, "Meta"} -> {{46762, 70832, 48226}, {"", ""}}, 
   {1234.7983, 13.766872, "Meta"} -> {{252523, 338862, 244042}, {"", ""}}, 
   {639.3065, 13.762452, "Meta"} -> {{136926, 159459, 124949}, 
     {"Protorifamycin I [ C35 H45 N O10, db=55.35, overall=27.68, Lipid \
ID=LMPK01000050, KEGG ID=C12246 ]", ""}}, {1229.8431, 13.765171, "Meta"} -> 
    {{276730, 450384, 1}, {"", ""}}, {636.3007, 13.76603, "Meta"} -> 
    {{288135, 236427, 159395}, {"", ""}}, {1246.8712, 13.768721, "Meta"} -> 
    {{105870, 110698, 290485}, {"", ""}}, {692.323, 13.76518, "Meta"} -> 
    {{91524, 113157, 70845}, {"", ""}}, {579.284, 13.767687, "Meta"} -> 
    {{246275, 214207, 118157}, 
     {" [ C33 H41 N O8, db=0.00, overall=31.75, mfg=63.50 ]", ""}}, 
   {621.3346, 13.749526, "Meta"} -> {{52321, 614227, 68170}, {"", ""}}, 
   {1273.8698, 13.773914, "Meta"} -> {{329550, 215034, 408725}, {"", ""}}, 
   {1030.7332, 13.746588, "Meta"} -> {{1651184, 1365482, 1591678}, {"", ""}}, 
   {576.2868, 13.770852, "Meta"} -> {{79378, 96109, 84901}, {"", ""}}, 
   {1068.696, 13.763723, "Meta"} -> {{1, 394066, 462975}, {"", ""}}, 
   {1278.8254, 13.776278, "Meta"} -> {{237136, 274157, 148169}, {"", ""}}, 
   {561.3117, 13.775912, "Meta"} -> {{1807800, 1837901, 1310020}, {"", ""}}, 
   {1339.8785, 13.780607, "Meta"} -> {{128784, 1, 1}, {"", ""}}, 
   {567.3707, 13.7708, "Meta"} -> {{34657, 26087, 27968}, {"", ""}}, 
   {1322.8525, 13.784331, "Meta"} -> {{154737, 137256, 57570}, {"", ""}}, 
   {1334.9222, 13.792586, "Meta"} -> {{82268, 100347, 224826}, {"", ""}}, 
   {889.551, 13.800771, "Meta"} -> {{112815, 61923, 1}, {"", ""}}, 
   {1099.6451, 13.763071, "Meta"} -> {{670760, 611425, 1}, {"", ""}}, 
   {523.3653, 13.780612, "Meta"} -> {{1.15*^8, 9.75*^7, 8.37*^7}, 
     {"1-hexadecyl-2-acetyl-glycero-3-phosphocholine [ C26 H54 N O7 P, \
db=85.55, overall=42.77, KEGG ID=, CAS ID=74389-68-7 ]", "74389-68-7"}}, 
   {865.5515, 13.794698, "Meta"} -> {{1, 166949, 129023}, {"", ""}}, 
   {1058.2133, 13.77028, "Meta"} -> {{243298, 1, 1}, {"", ""}}, 
   {1608.04, 13.77903, "Meta"} -> {{1640710, 1550719, 1225887}, {"", ""}}, 
   {2637.7942, 13.772834, "Meta"} -> {{384884, 1, 1}, {"", ""}}, 
   {1046.7288, 13.771727, "Meta"} -> {{4.55*^7, 4.59*^7, 3.93*^7}, {"", ""}}, 
   {171.108, 13.797971, "Meta"} -> {{509747, 1, 342907}, {"", ""}}, 
   {1366.8785, 13.790698, "Meta"} -> {{122418, 136229, 68957}, {"", ""}}, 
   {398.1857, 13.79976, "Meta"} -> {{302506, 1, 130469}, {"", ""}}, 
   {2131.4026, 13.776884, "Meta"} -> {{1808865, 1712387, 1522744}, {"", ""}}, 
   {321.2667, 13.802221, "Meta"} -> {{86181, 93551, 170683}, 
     {"Anandamide (18:3, n-6) [ C20 H35 N O2, db=98.53, overall=49.26, Lipid \
ID=LMFA08040003, KEGG ID= ]", ""}}, {1378.9491, 13.801964, "Meta"} -> 
    {{1, 90593, 1}, {"", ""}}, {1410.9069, 13.799668, "Meta"} -> 
    {{141322, 1, 73395}, {"", ""}}, {326.2219, 13.802333, "Meta"} -> 
    {{119504, 130991, 124963}, {"3a-OH Desogestrel [ C22 H30 O2, db=65.76, \
overall=32.88, KEGG ID=, CAS ID=70805-84-4 ]", "70805-84-4"}}, 
   {495.3673, 13.825147, "Meta"} -> {{404488, 489081, 458891}, {"", ""}}, 
   {1405.9486, 13.799881, "Meta"} -> {{192641, 103398, 203791}, {"", ""}}, 
   {345.2666, 13.810092, "Meta"} -> {{149907, 105669, 192718}, 
     {"Anandamide (20:5, n-3) [ C22 H35 N O2, db=85.48, overall=42.74, Lipid \
ID=LMFA08040008, KEGG ID= ]", ""}}, {328.2401, 13.805646, "Meta"} -> 
    {{171870, 220825, 192918}, {"3,9,15-Docosatriynoic acid [ C22 H32 O2, \
db=84.46, overall=42.23, Lipid ID=, KEGG ID= ]", ""}}, 
   {1422.9753, 13.803818, "Meta"} -> {{64429, 65049, 169386}, {"", ""}}, 
   {1330.8604, 13.71827, "Meta"} -> {{69040, 90472, 55882}, {"", ""}}, 
   {1454.929, 13.805271, "Meta"} -> {{52979, 66207, 37899}, {"", ""}}, 
   {536.5281, 13.803085, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {587.4892, 13.8079605, "Meta"} -> {{1, 10123, 11907}, {"", ""}}, 
   {1449.9736, 13.80397, "Meta"} -> {{150618, 64910, 43922}, {"", ""}}, 
   {341.3044, 13.817472, "Meta"} -> {{1605490, 1582245, 1686168}, {"", ""}}, 
   {354.3241, 13.811501, "Meta"} -> {{9014, 14417, 22586}, {"", ""}}, 
   {281.2712, 13.812444, "Meta"} -> {{1.33*^7, 1.08*^7, 1.64*^7}, 
     {"Oleamide [ C18 H35 N O, db=95.12, overall=47.56, KEGG ID=, CAS \
ID=301-02-0 ]", "301-02-0"}}, {1467.0009, 13.8062, "Meta"} -> 
    {{83757, 1, 150298}, {"", ""}}, {312.3138, 13.81286, "Meta"} -> 
    {{30885, 27421, 45524}, {"", ""}}, {841.5513, 13.813585, "Meta"} -> 
    {{657476, 624715, 426237}, {"", ""}}, {401.3155, 13.8185835, "Meta"} -> 
    {{67885, 45026, 1}, {"", ""}}, {326.3296, 13.8149185, "Meta"} -> 
    {{181481, 202720, 537821}, {"", ""}}, {856.5198, 13.818584, "Meta"} -> 
    {{178594, 146049, 104043}, {"", ""}}, {1511.0262, 13.81507, "Meta"} -> 
    {{1, 66607, 120024}, {"", ""}}, {376.2038, 13.804546, "Meta"} -> 
    {{355106, 80051, 261569}, {"fluorometholone [ C22 H29 F O4, db=59.20, \
overall=29.60, KEGG ID=, CAS ID=426-13-1 ]", "426-13-1"}}, 
   {887.643, 13.824824, "Meta"} -> {{293046, 280136, 280081}, {"", ""}}, 
   {262.2296, 13.822443, "Meta"} -> {{107204, 114469, 117443}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=86.48, overall=43.24, Lipid \
ID=, KEGG ID= ]", ""}}, {1555.054, 13.823677, "Meta"} -> 
    {{56483, 54942, 1}, {"", ""}}, {1599.0771, 13.82784, "Meta"} -> 
    {{43627, 43331, 79428}, {"", ""}}, {393.1754, 13.824646, "Meta"} -> 
    {{80474, 70636, 58187}, 
     {"Thr His His [ C16 H23 N7 O5, db=62.69, overall=31.35 ]", ""}}, 
   {280.2402, 13.821678, "Meta"} -> {{880525, 1604933, 1436945}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.73, overall=42.36, \
Lipid ID=, KEGG ID= ]", ""}}, {404.272, 13.831084, "Meta"} -> 
    {{37152, 25985, 1}, {"", ""}}, {318.1871, 13.828527, "Meta"} -> 
    {{71304, 61526, 61426}, {"", ""}}, {336.1598, 13.82475, "Meta"} -> 
    {{196493, 178962, 143555}, {"", ""}}, {742.5544, 13.829965, "Meta"} -> 
    {{59237, 56235, 1}, {"", ""}}, {264.2449, 13.830167, "Meta"} -> 
    {{154162, 122747, 155487}, {"9,12-octadecadienal [ C18 H32 O, db=93.91, \
overall=46.95, Lipid ID=, KEGG ID= ]", ""}}, {362.2315, 13.826858, "Meta"} -> 
    {{76442, 39842, 29757}, {"", ""}}, {637.5649, 13.826834, "Meta"} -> 
    {{207096, 147331, 206334}, {"", ""}}, {1604.0345, 13.831274, "Meta"} -> 
    {{44835, 59219, 61203}, {"", ""}}, {917.6042, 13.830849, "Meta"} -> 
    {{243616, 208105, 152087}, {"", ""}}, {454.2603, 13.837749, "Meta"} -> 
    {{139848, 90904, 92864}, {"18-acetoxy-PGF2alpha-11-acetate [ C24 H38 O8, \
db=67.62, overall=33.81, Lipid ID=LMFA03010098, KEGG ID= ]", ""}}, 
   {1643.1019, 13.833906, "Meta"} -> {{26362, 1, 63635}, {"", ""}}, 
   {356.2921, 13.832834, "Meta"} -> {{4297055, 3732844, 3168500}, 
     {"1-(11E-octadecenoyl)-rac-glycerol [ C21 H40 O4, db=98.15, \
overall=49.07, KEGG ID=, CAS ID= ]", ""}}, {416.3249, 13.833222, "Meta"} -> 
    {{263899, 314393, 197412}, {"", ""}}, {296.2716, 13.837235, "Meta"} -> 
    {{1675847, 1712565, 2268740}, {"10-methylene-octadecanoic acid [ C19 H36 \
O2, db=78.33, overall=39.16, Lipid ID=, KEGG ID= ]", ""}}, 
   {595.554, 13.834362, "Meta"} -> {{187546, 207885, 261706}, {"", ""}}, 
   {331.3083, 13.839138, "Meta"} -> {{28886, 31078, 45992}, {"", ""}}, 
   {1648.0614, 13.838582, "Meta"} -> {{42280, 1, 50481}, {"", ""}}, 
   {314.2819, 13.838939, "Meta"} -> {{116857, 874294, 176212}, 
     {"2-hydroxy-nonadecanoic acid [ C19 H38 O3, db=79.99, overall=40.00, \
Lipid ID=, KEGG ID= ]", ""}}, {359.3394, 13.840835, "Meta"} -> 
    {{48461, 57716, 153395}, {"", ""}}, {550.5438, 13.840639, "Meta"} -> 
    {{49428, 50011, 68401}, {"", ""}}, {345.3232, 13.839605, "Meta"} -> 
    {{1, 1, 22461}, {"", ""}}, {351.3135, 13.836865, "Meta"} -> 
    {{30589, 40893, 31637}, {"Anandamide (20:2, n-6) [ C22 H41 N O2, \
db=87.77, overall=43.88, Lipid ID=LMFA08040002, KEGG ID= ]", ""}}, 
   {589.5048, 13.843435, "Meta"} -> {{83225, 72868, 80918}, {"", ""}}, 
   {593.5384, 13.859751, "Meta"} -> {{48838, 38856, 63963}, {"", ""}}, 
   {486.3916, 13.846743, "Meta"} -> {{30748, 35320, 42030}, {"", ""}}, 
   {269.2717, 13.850058, "Meta"} -> {{173396, 238033, 165957}, {"", ""}}, 
   {958.5066, 13.858265, "Meta"} -> {{121754, 107244, 83544}, {"", ""}}, 
   {312.2662, 13.867914, "Meta"} -> {{723235, 790968, 1967738}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=84.87, overall=42.44, Lipid \
ID=, KEGG ID= ]", ""}}, {376.1632, 13.867001, "Meta"} -> 
    {{171100, 138947, 171770}, {"", ""}}, {875.5037, 13.871608, "Meta"} -> 
    {{177217, 165358, 139194}, {"", ""}}, {807.4806, 13.867861, "Meta"} -> 
    {{1712364, 1223149, 828191}, {"", ""}}, {268.2402, 13.870259, "Meta"} -> 
    {{69214, 66524, 46319}, {"9-heptadecylenic acid [ C17 H32 O2, db=81.99, \
overall=40.99, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {360.1681, 13.864379, "Meta"} -> {{83589, 68396, 1}, 
     {"Leu Asn Asp [ C14 H24 N4 O7, db=34.15, overall=17.08 ]", ""}}, 
   {914.4793, 13.871298, "Meta"} -> {{43991, 45922, 41238}, {"", ""}}, 
   {418.1739, 13.870945, "Meta"} -> {{89276, 95005, 83544}, 
     {"Nimodipine [ C21 H26 N2 O7, db=61.54, overall=30.77, KEGG ID=C07267, \
CAS ID=66085-59-4 ]", "66085-59-4"}}, {662.2484, 13.876678, "Meta"} -> 
    {{59525, 76095, 65618}, {"", ""}}, {1103.5966, 13.872333, "Meta"} -> 
    {{1742730, 1, 1}, {"", ""}}, {346.1531, 13.871804, "Meta"} -> 
    {{479451, 618180, 538803}, {"", ""}}, {390.1788, 13.869486, "Meta"} -> 
    {{350352, 361161, 369667}, 
     {"Asp Lys Glu [ C15 H26 N4 O8, db=62.57, overall=31.29 ]", ""}}, 
   {1153.6309, 13.874, "Meta"} -> {{1, 314739, 231385}, {"", ""}}, 
   {328.1421, 13.873054, "Meta"} -> {{276750, 296305, 255540}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=67.54, overall=33.77 ]", ""}}, 
   {357.3227, 13.877501, "Meta"} -> {{62937, 90509, 180067}, {"", ""}}, 
   {294.0996, 13.875195, "Meta"} -> {{129855, 133755, 119250}, {"", ""}}, 
   {1135.623, 13.873161, "Meta"} -> {{211657, 214571, 187913}, {"", ""}}, 
   {239.1157, 13.8723, "Meta"} -> {{28201, 27130, 30378}, {"", ""}}, 
   {1189.6305, 13.875001, "Meta"} -> {{361017, 41715, 311605}, {"", ""}}, 
   {420.1898, 13.874806, "Meta"} -> {{19109, 24035, 1}, 
     {"Gln His His [ C17 H24 N8 O5, db=42.13, overall=21.06 ]", ""}}, 
   {670.265, 13.873167, "Meta"} -> {{42785, 45311, 943731}, {"", ""}}, 
   {580.2324, 13.874638, "Meta"} -> {{5043065, 5262805, 3854798}, {"", ""}}, 
   {640.2526, 13.874076, "Meta"} -> {{133259, 136571, 1}, {"", ""}}, 
   {612.2593, 13.875, "Meta"} -> {{3661554, 4150320, 3047379}, {"", ""}}, 
   {644.284, 13.875222, "Meta"} -> {{7944789, 8948151, 7126272}, {"", ""}}, 
   {1180.491, 13.877401, "Meta"} -> {{91455, 1, 31989}, {"", ""}}, 
   {1254.532, 13.877502, "Meta"} -> {{84532, 13329, 62307}, {"", ""}}, 
   {864.3481, 13.876028, "Meta"} -> {{110183, 144257, 113195}, {"", ""}}, 
   {282.1003, 13.8762245, "Meta"} -> {{583506, 606466, 519878}, {"", ""}}, 
   {706.3213, 13.875223, "Meta"} -> {{489237, 523692, 423538}, {"", ""}}, 
   {1242.5096, 13.876581, "Meta"} -> {{61948, 38342, 1}, {"", ""}}, 
   {582.2468, 13.8751, "Meta"} -> {{5426146, 1, 4942167}, 
     {"Biliverdin IX [ C33 H34 N4 O6, db=45.81, overall=22.91, HMP \
ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", " 114-25-0"}}, 
   {896.3746, 13.876728, "Meta"} -> {{173224, 35545, 1}, {"", ""}}, 
   {720.3007, 13.875195, "Meta"} -> {{320764, 319680, 238365}, {"", ""}}, 
   {908.3734, 13.876348, "Meta"} -> {{1, 85796, 1}, {"", ""}}, 
   {636.1519, 13.87985, "Meta"} -> {{59610, 1, 51664}, {"", ""}}, 
   {943.4197, 13.876037, "Meta"} -> {{105860, 109986, 73887}, {"", ""}}, 
   {1192.4886, 13.875974, "Meta"} -> {{706778, 771110, 551670}, {"", ""}}, 
   {1226.5306, 13.877594, "Meta"} -> {{188177, 1, 1}, {"", ""}}, 
   {314.1267, 13.875557, "Meta"} -> {{662430, 772123, 569577}, {"", ""}}, 
   {748.2959, 13.87564, "Meta"} -> {{119579, 126164, 83881}, {"", ""}}, 
   {734.3167, 13.875916, "Meta"} -> {{864603, 923297, 720674}, {"", ""}}, 
   {970.4116, 13.876899, "Meta"} -> {{1, 95065, 65753}, {"", ""}}, 
   {867.3674, 13.8762865, "Meta"} -> {{228467, 255326, 161708}, {"", ""}}, 
   {926.3857, 13.876266, "Meta"} -> {{144431, 131283, 120744}, {"", ""}}, 
   {583.2517, 13.87564, "Meta"} -> {{3259272, 3424908, 1901810}, {"", ""}}, 
   {956.396, 13.876835, "Meta"} -> {{49186, 118128, 56097}, {"", ""}}, 
   {676.308, 13.876473, "Meta"} -> {{136314, 131802, 111937}, {"", ""}}, 
   {929.4038, 13.876501, "Meta"} -> {{92296, 105104, 72576}, {"", ""}}, 
   {672.2801, 13.875572, "Meta"} -> {{2157199, 2056151, 1}, {"", ""}}, 
   {493.2209, 13.875945, "Meta"} -> {{279905, 291630, 231054}, {"", ""}}, 
   {658.2643, 13.874903, "Meta"} -> {{393260, 387898, 297229}, {"", ""}}, 
   {1151.4832, 13.877482, "Meta"} -> {{31554, 38604, 26692}, {"", ""}}, 
   {961.4299, 13.877784, "Meta"} -> {{1, 1, 17303}, {"", ""}}, 
   {912.4054, 13.877669, "Meta"} -> {{1, 361310, 1}, {"", ""}}, 
   {762.3116, 13.876194, "Meta"} -> {{402076, 392655, 280264}, {"", ""}}, 
   {975.4451, 13.8780365, "Meta"} -> {{49290, 52931, 34063}, {"", ""}}, 
   {509.216, 13.87594, "Meta"} -> {{57005, 61886, 55141}, {"", ""}}, 
   {491.2056, 13.876723, "Meta"} -> {{298061, 321451, 275158}, 
     {"Tyr Phe Tyr [ C27 H29 N3 O6, db=65.06, overall=32.53 ]", ""}}, 
   {881.3826, 13.877259, "Meta"} -> {{37236, 42785, 26479}, {"", ""}}, 
   {1193.664, 13.879387, "Meta"} -> {{216787, 216593, 204261}, {"", ""}}, 
   {582.7497, 13.876502, "Meta"} -> {{405376, 429868, 124375}, {"", ""}}, 
   {495.208, 13.876967, "Meta"} -> {{45677, 45603, 39930}, 
     {"Trp Tyr Gln [ C25 H29 N5 O6, db=56.92, overall=28.46 ]", ""}}, 
   {616.2538, 13.877678, "Meta"} -> {{114238, 113679, 96006}, {"", ""}}, 
   {479.205, 13.876445, "Meta"} -> {{70609, 79628, 59864}, 
     {"Nicardipine [ C26 H29 N3 O6, db=70.81, overall=35.41, KEGG ID=C07264, \
CAS ID=55985-32-5 ]", "55985-32-5"}}, {878.365, 13.876516, "Meta"} -> 
    {{15637, 17703, 11823}, {"", ""}}, {567.2211, 13.876649, "Meta"} -> 
    {{167541, 170720, 113307}, {"", ""}}, {644.7861, 13.877095, "Meta"} -> 
    {{20582, 23412, 15974}, {"", ""}}, {461.195, 13.876152, "Meta"} -> 
    {{1, 29954, 24829}, 
     {"Gln Trp Glu [ C21 H27 N5 O7, db=34.78, overall=17.39 ]", ""}}, 
   {298.1317, 13.878472, "Meta"} -> {{660381, 661174, 437357}, {"", ""}}, 
   {352.1394, 13.880392, "Meta"} -> {{41824, 36204, 24960}, 
     {"Asn Tyr Gly [ C15 H20 N4 O6, db=68.82, overall=34.41 ]", ""}}, 
   {284.1158, 13.879252, "Meta"} -> {{322575, 348002, 276213}, {"", ""}}, 
   {477.1898, 13.879307, "Meta"} -> {{173989, 238210, 252014}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=74.18, overall=37.09, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {833.4963, 13.885234, "Meta"} -> 
    {{201149, 193991, 124349}, {"", ""}}, {1045.5562, 13.8920965, "Meta"} -> 
    {{82069, 26834, 20823}, {"", ""}}, {1095.5912, 13.892453, "Meta"} -> 
    {{40629, 47325, 41370}, {"", ""}}, {1048.5735, 13.892926, "Meta"} -> 
    {{52315, 54015, 39122}, {"", ""}}, {779.4516, 13.885543, "Meta"} -> 
    {{94995, 97758, 52956}, {"", ""}}, {918.6492, 13.8966, "Meta"} -> 
    {{420813, 55775, 313837}, {"", ""}}, {935.6756, 13.895752, "Meta"} -> 
    {{366771, 402444, 499729}, {"", ""}}, {891.6496, 13.895306, "Meta"} -> 
    {{267033, 295608, 393363}, {"C24 Sulfatide [ C48 H93 N O11 S, db=88.42, \
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   {749.4387, 13.89454, "Meta"} -> {{45452, 53038, 40187}, {"", ""}}, 
   {830.5967, 13.895909, "Meta"} -> {{170475, 229763, 1}, {"", ""}}, 
   {847.6232, 13.896607, "Meta"} -> {{195450, 173536, 225429}, {"", ""}}, 
   {979.702, 13.896585, "Meta"} -> {{439404, 493463, 600037}, {"", ""}}, 
   {1050.7274, 13.9000435, "Meta"} -> {{602698, 45562, 1}, {"", ""}}, 
   {1028.6847, 13.898851, "Meta"} -> {{547162, 528724, 270721}, {"", ""}}, 
   {984.6579, 13.897518, "Meta"} -> {{469233, 529196, 354860}, {"", ""}}, 
   {1023.7278, 13.898656, "Meta"} -> {{490640, 517932, 645500}, {"", ""}}, 
   {962.6753, 13.896331, "Meta"} -> {{67978, 79185, 37386}, {"", ""}}, 
   {803.597, 13.898972, "Meta"} -> {{102547, 104288, 144953}, {"", ""}}, 
   {1006.7014, 13.900152, "Meta"} -> {{45118, 59361, 31809}, {"", ""}}, 
   {1067.7542, 13.901264, "Meta"} -> {{497033, 501757, 617047}, {"", ""}}, 
   {1094.7538, 13.901059, "Meta"} -> {{512283, 543177, 1}, {"", ""}}, 
   {465.3222, 13.902696, "Meta"} -> {{2789653, 2714734, 2328343}, {"", ""}}, 
   {1138.7803, 13.90453, "Meta"} -> {{35623, 48848, 1}, {"", ""}}, 
   {478.8288, 13.901231, "Meta"} -> {{31198, 1, 1}, {"", ""}}, 
   {996.7292, 13.904589, "Meta"} -> {{51073, 53382, 134381}, 
     {"TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,\
13Z,16Z,19Z))[iso3] [ C67 H96 O6, db=48.00, overall=24.00, Lipid \
ID=LMGL03012576, KEGG ID= ]", ""}}, {1160.7618, 13.905588, "Meta"} -> 
    {{468651, 537174, 327614}, {"", ""}}, {503.2691, 13.903366, "Meta"} -> 
    {{84694, 69278, 58634}, {"", ""}}, {522.8552, 13.904035, "Meta"} -> 
    {{1, 122268, 151370}, {"", ""}}, {1001.6842, 13.904192, "Meta"} -> 
    {{93299, 99437, 147604}, {"", ""}}, {511.8639, 13.905617, "Meta"} -> 
    {{34296, 36353, 36746}, {"", ""}}, {544.8687, 13.907429, "Meta"} -> 
    {{166008, 153909, 202011}, {"", ""}}, {489.8508, 13.903928, "Meta"} -> 
    {{1, 21417, 19853}, {"", ""}}, {1050.6691, 13.904042, "Meta"} -> 
    {{1, 197706, 153352}, {"", ""}}, {1040.753, 13.906883, "Meta"} -> 
    {{84128, 87240, 202627}, {"", ""}}, {549.3798, 13.901501, "Meta"} -> 
    {{3140999, 2271510, 1979199}, {"", ""}}, {555.8901, 13.907157, "Meta"} -> 
    {{950478, 1062007, 1}, {"", ""}}, {1248.8145, 13.916356, "Meta"} -> 
    {{1, 60093, 383597}, {"", ""}}, {591.8776, 13.913758, "Meta"} -> 
    {{63853, 79606, 1}, {"", ""}}, {591.3753, 13.914109, "Meta"} -> 
    {{122509, 150350, 1}, {"", ""}}, {1172.8337, 13.914706, "Meta"} -> 
    {{215401, 230816, 530481}, {"", ""}}, {643.9424, 13.918862, "Meta"} -> 
    {{452147, 497860, 496016}, {"", ""}}, {1243.8593, 13.917862, "Meta"} -> 
    {{841018, 916950, 960307}, {"", ""}}, {1216.8606, 13.917243, "Meta"} -> 
    {{276687, 272325, 577217}, {"", ""}}, {1292.8436, 13.918814, "Meta"} -> 
    {{468450, 296718, 333951}, {"", ""}}, {482.3011, 13.906962, "Meta"} -> 
    {{102274, 1, 40220}, {"", ""}}, {1260.8875, 13.921888, "Meta"} -> 
    {{332328, 340318, 644638}, {"", ""}}, {1336.8698, 13.9245, "Meta"} -> 
    {{407112, 224158, 1}, {"Ganglioside GA1 (d18:1/24:1(15Z)) [ C68 H124 N2 \
O23, db=60.87, overall=30.44, HMP ID=HMDB04906, KEGG ID= ]", ""}}, 
   {1304.9122, 13.925807, "Meta"} -> {{303142, 319527, 612597}, {"", ""}}, 
   {1309.8685, 13.923631, "Meta"} -> {{439973, 499983, 555674}, {"", ""}}, 
   {1331.9117, 13.925688, "Meta"} -> {{701248, 762159, 234420}, {"", ""}}, 
   {1066.7665, 13.906301, "Meta"} -> {{236192, 176565, 162630}, {"", ""}}, 
   {1348.9387, 13.928513, "Meta"} -> {{292479, 310519, 572976}, {"", ""}}, 
   {1380.8955, 13.928842, "Meta"} -> {{356708, 409483, 70252}, {"", ""}}, 
   {442.2608, 13.933564, "Meta"} -> {{152797, 106552, 81738}, {"", ""}}, 
   {1375.9377, 13.930394, "Meta"} -> {{600128, 659697, 645714}, {"", ""}}, 
   {1392.9644, 13.933, "Meta"} -> {{262515, 274362, 526687}, {"", ""}}, 
   {1424.9208, 13.932688, "Meta"} -> {{96902, 80151, 48534}, {"", ""}}, 
   {1419.9648, 13.935295, "Meta"} -> {{532237, 68771, 128425}, {"", ""}}, 
   {344.2923, 13.939112, "Meta"} -> {{5995642, 3252457, 3236806}, 
     {"1-heptadecanoyl-rac-glycerol [ C20 H40 O4, db=98.52, overall=49.26, \
KEGG ID=, CAS ID=68002-72-2 ]", "68002-72-2"}}, 
   {1468.948, 13.937098, "Meta"} -> {{262179, 281919, 31378}, {"", ""}}, 
   {1436.9904, 13.938028, "Meta"} -> {{266448, 265388, 1}, {"", ""}}, 
   {1463.9899, 13.9394865, "Meta"} -> {{451883, 497013, 96575}, {"", ""}}, 
   {466.3654, 13.941461, "Meta"} -> {{303897, 313659, 1}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=76.50, overall=38.25, \
Lipid ID=LMST01030128, KEGG ID= ]", ""}}, {1481.017, 13.942124, "Meta"} -> 
    {{237475, 240289, 1}, {"", ""}}, {1508.0137, 13.944414, "Meta"} -> 
    {{25113, 26446, 62791}, {"", ""}}, {222.1615, 13.993, "Meta"} -> 
    {{38951, 42937, 43730}, {"", ""}}, {1529.9991, 13.944249, "Meta"} -> 
    {{290492, 334532, 1}, {"", ""}}, {283.2872, 13.950055, "Meta"} -> 
    {{310902, 330547, 299125}, {"Stearamide [ C18 H37 N O, db=99.52, \
overall=49.76, KEGG ID=, CAS ID=124-26-5 ]", "124-26-5"}}, 
   {1525.0424, 13.947517, "Meta"} -> {{195937, 201836, 1}, {"", ""}}, 
   {386.1755, 13.956785, "Meta"} -> {{35079, 35787, 24365}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=50.71, overall=25.36 ]", ""}}, 
   {1623.0092, 13.9477415, "Meta"} -> {{64930, 71269, 1}, {"", ""}}, 
   {428.2901, 13.938, "Meta"} -> {{151967, 1, 134123}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=61.60, \
overall=30.80, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {1618.051, 13.949916, "Meta"} -> {{215446, 1, 25508}, {"", ""}}, 
   {1569.0697, 13.946124, "Meta"} -> {{173089, 187283, 1}, {"", ""}}, 
   {467.3376, 13.954553, "Meta"} -> {{296587, 338277, 324343}, {"", ""}}, 
   {347.2825, 13.963371, "Meta"} -> {{427800, 391517, 673310}, 
     {"(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide [ C22 \
H37 N O2, db=98.13, overall=49.07, KEGG ID=, CAS ID= ]", ""}}, 
   {330.2557, 13.959749, "Meta"} -> {{108861, 148299, 100716}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=84.17, \
overall=42.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {1662.0767, 13.946449, "Meta"} -> {{136901, 13478, 140525}, {"", ""}}, 
   {510.3319, 13.973654, "Meta"} -> {{1, 1, 44853}, 
     {"11-(3-acetoxy-1-propynyl)-1alpha,25-dihydroxy-9,11-didehydrovitamin D3 \
/ 11-(3-acetoxy-1-propynyl)-1 [ C32 H46 O5, db=44.65, overall=22.33, Lipid \
ID=LMST03020511, KEGG ID= ]", ""}}, {452.3502, 13.976595, "Meta"} -> 
    {{26760, 1, 89403}, {"5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol \
[ C27 H48 O5, db=62.10, overall=31.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {1657.1215, 13.958542, "Meta"} -> {{1, 90455, 169135}, {"", ""}}, 
   {1750.128, 13.9647875, "Meta"} -> {{88703, 91516, 1}, {"", ""}}, 
   {220.146, 13.986333, "Meta"} -> {{42102, 1, 105361}, {"", ""}}, 
   {329.2933, 13.898458, "Meta"} -> {{333055, 277346, 474281}, {"", ""}}, 
   {460.3175, 13.9654, "Meta"} -> {{87654, 113214, 87302}, 
     {"(24R)-1alpha,24,25,26-tetrahydroxyvitamin D2 / \
(24R)-1alpha,24,25,26-tetrahydroxyergocalciferol [ C28 H44 O5, db=68.24, \
overall=34.12, Lipid ID=LMST03010054, KEGG ID= ]", ""}}, 
   {1745.1743, 13.967287, "Meta"} -> {{56213, 76438, 1}, {"", ""}}, 
   {1701.1473, 13.966741, "Meta"} -> {{1, 93896, 1}, {"", ""}}, 
   {402.2765, 13.957289, "Meta"} -> {{35321, 43486, 1}, 
     {"1alpha-hydroxy-26,27-dinorvitamin D3 25-carboxylic acid / \
1alpha-hydroxy-26,27-dinorcholecalciferol [ C25 H38 O4, db=52.81, \
overall=26.41, Lipid ID=LMST03020025, KEGG ID= ]", ""}}, 
   {440.3505, 13.985816, "Meta"} -> {{1, 269165, 120690}, {"", ""}}, 
   {484.3164, 13.975783, "Meta"} -> {{1, 175449, 1}, {"", ""}}, 
   {653.3246, 13.973182, "Meta"} -> {{61442, 43635, 49049}, {"", ""}}, 
   {334.2482, 13.893001, "Meta"} -> {{1147357, 1057412, 1}, 
     {"Tetrahydrodeoxycorticosterone [ C21 H34 O3, db=65.74, overall=32.87, \
HMP ID=HMDB00879, KEGG ID= ]", ""}}, {1319.1475, 13.976606, "Meta"} -> 
    {{31595, 26587, 22918}, {"", ""}}, {386.3394, 13.973793, "Meta"} -> 
    {{1, 1, 1}, {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=89.09, \
overall=44.55, KEGG ID=, CAS ID= ]", ""}}, {831.6982, 13.975789, "Meta"} -> 
    {{39095, 29199, 31701}, {"", ""}}, {806.668, 13.976223, "Meta"} -> 
    {{477165, 415831, 361337}, {"", ""}}, {866.6982, 13.981547, "Meta"} -> 
    {{24917, 26638, 26703}, {"", ""}}, {354.2087, 13.977749, "Meta"} -> 
    {{551615, 507052, 427328}, {"", ""}}, {224.1773, 13.974033, "Meta"} -> 
    {{11660, 12143, 14499}, {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, \
db=68.79, overall=34.39, Lipid ID=, KEGG ID= ]", ""}}, 
   {270.2557, 13.976111, "Meta"} -> {{733323, 704256, 643407}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=99.62, overall=49.81, \
Lipid ID=, KEGG ID= ]", ""}}, {1062.9073, 13.976445, "Meta"} -> 
    {{81729, 77161, 66234}, {"", ""}}, {597.4186, 13.975773, "Meta"} -> 
    {{90158, 78513, 44149}, {"", ""}}, {238.2292, 13.975834, "Meta"} -> 
    {{439290, 412624, 382988}, {"cis-11-Hexadecenal [ C16 H30 O, db=98.78, \
overall=49.39, KEGG ID=, CAS ID=53939-28-9 ]", "53939-28-9"}}, 
   {256.2401, 13.976223, "Meta"} -> {{2318605, 673739, 1870469}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=86.75, overall=43.37, Lipid \
ID=, KEGG ID= ]", ""}}, {414.2322, 13.97861, "Meta"} -> 
    {{263297, 224556, 210710}, {"", ""}}, {386.2337, 13.980557, "Meta"} -> 
    {{28238, 1, 29569}, {"1-tridecanoyl-sn-glycero-3-phosphate [ C16 H37 N O7 \
P, db=38.62, overall=19.31, KEGG ID=, CAS ID= ]", ""}}, 
   {568.3997, 13.977068, "Meta"} -> {{89915, 49890, 44512}, 
     {"1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphate (ammonium salt) [ \
C28 H59 N O8 P, db=52.38, overall=26.19, KEGG ID=, CAS ID= ]", ""}}, 
   {374.1813, 13.978594, "Meta"} -> {{35109, 47810, 34861}, 
     {"Glu Asn Leu [ C15 H26 N4 O7, db=57.08, overall=28.54 ]", ""}}, 
   {401.2, 13.978515, "Meta"} -> {{171427, 146679, 92813}, {"", ""}}, 
   {429.2065, 13.981425, "Meta"} -> {{39866, 52557, 45230}, {"", ""}}, 
   {444.2765, 13.977774, "Meta"} -> {{70999, 80921, 1}, {"", ""}}, 
   {610.4531, 13.979807, "Meta"} -> {{335568, 319022, 272675}, {"", ""}}, 
   {897.0775, 13.963102, "Meta"} -> {{38502, 35202, 27191}, {"", ""}}, 
   {420.3661, 13.976656, "Meta"} -> {{26487, 23607, 20785}, {"", ""}}, 
   {294.1873, 13.977543, "Meta"} -> {{74201, 58985, 59499}, 
     {"Sodium tetradecyl sulfate [ C14 H30 O4 S, db=82.16, overall=41.08, \
KEGG ID=, CAS ID=139-88-8 ]", "139-88-8"}}, {556.3739, 13.973735, "Meta"} -> 
    {{128045, 1, 1}, {"", ""}}, {540.3787, 13.981038, "Meta"} -> 
    {{109831, 99230, 130193}, {"", ""}}, {500.3862, 13.978946, "Meta"} -> 
    {{105194, 110767, 123228}, {"", ""}}, {1838.1816, 13.978887, "Meta"} -> 
    {{1, 43335, 1}, {"", ""}}, {273.2666, 13.976639, "Meta"} -> 
    {{134594, 121477, 157698}, {"C16 Sphinganine [ C16 H35 N O2, db=89.23, \
overall=44.61, Lipid ID=LMSP01040001, KEGG ID= ]", ""}}, 
   {370.2578, 13.982139, "Meta"} -> {{86236, 91161, 78729}, {"", ""}}, 
   {470.3612, 13.984445, "Meta"} -> {{149976, 46962, 133793}, {"", ""}}, 
   {307.287, 13.978666, "Meta"} -> {{179490, 142384, 158332}, {"", ""}}, 
   {369.1855, 13.979225, "Meta"} -> {{76213, 67146, 55578}, {"", ""}}, 
   {520.4126, 13.9819145, "Meta"} -> {{308464, 275423, 337381}, {"", ""}}, 
   {560.4047, 13.986311, "Meta"} -> {{175901, 209942, 157758}, {"", ""}}, 
   {685.3513, 13.989969, "Meta"} -> {{33281, 33284, 50215}, {"", ""}}, 
   {600.436, 13.992064, "Meta"} -> {{162753, 163772, 93950}, {"", ""}}, 
   {276.2085, 13.992001, "Meta"} -> {{1, 35210, 43417}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=76.40, overall=38.20, Lipid \
ID=, KEGG ID= ]", ""}}, {294.2182, 13.990687, "Meta"} -> 
    {{1, 38189, 33197}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=70.71, \
overall=35.35, Lipid ID=, KEGG ID= ]", ""}}, {486.3319, 13.971826, "Meta"} -> 
    {{195061, 199636, 192846}, {"", ""}}, {1764.1438, 14.027258, "Meta"} -> 
    {{124214, 146737, 1}, {"", ""}}, {306.2556, 13.999083, "Meta"} -> 
    {{545777, 149776, 569902}, {"ETrE(11Z, 14Z, 17Z) [ C20 H34 O2, db=67.35, \
overall=33.67, Lipid ID=LMFA01030378, KEGG ID= ]", ""}}, 
   {507.3694, 13.993544, "Meta"} -> {{4360184, 2793592, 1976224}, {"", ""}}, 
   {323.2821, 13.996278, "Meta"} -> {{255408, 240429, 355372}, 
     {"(9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-dienamide [ C20 H37 N O2, \
db=99.15, overall=49.57, KEGG ID=, CAS ID= ]", ""}}, 
   {490.3655, 14.002969, "Meta"} -> {{1, 209533, 318346}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=61.55, \
overall=30.77, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {362.1752, 14.002638, "Meta"} -> {{44103, 41809, 37270}, 
     {"Met Gly Arg [ C13 H26 N6 O4 S, db=56.03, overall=28.02 ]", ""}}, 
   {360.2646, 14.006222, "Meta"} -> {{52263, 42010, 51634}, 
     {"1alpha,23-dihydroxy-24,25,26,27-tetranorvitamin D3 / \
1alpha,23-dihydroxy-24,25,26,27-tetranorcholeca [ C23 H36 O3, db=49.92, \
overall=24.96, Lipid ID=LMST03020020, KEGG ID= ]", ""}}, 
   {627.5055, 14.012999, "Meta"} -> {{18540, 16618, 23855}, {"", ""}}, 
   {388.2586, 14.0047655, "Meta"} -> {{24130, 20973, 20057}, 
     {"7,12-Dioxo-5beta-cholan-24-oic Acid [ C24 H36 O4, db=55.81, \
overall=27.91, Lipid ID=, KEGG ID= ]", ""}}, {472.3551, 13.985233, "Meta"} -> 
    {{45567, 32775, 39519}, {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehyd\
ro-23-oxavitamin D3 / 26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=61.77, \
overall=30.89, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {420.3237, 13.996353, "Meta"} -> {{160683, 156961, 113532}, 
     {"1alpha,2alpha,25-trihydroxy-19-norvitamin D3 / \
1alpha,2alpha,25-trihydroxy-19-norcholecalciferolchol [ C26 H44 O4, db=77.07, \
overall=38.53, Lipid ID=LMST03020547, KEGG ID= ]", ""}}, 
   {512.3477, 14.046452, "Meta"} -> {{265895, 485245, 242491}, 
     {"ZK 159222 [ C32 H48 O5, db=50.94, overall=25.47, Lipid \
ID=LMST03020621, KEGG ID= ]", ""}}, {545.3171, 14.010888, "Meta"} -> 
    {{48147, 33542, 26093}, {"", ""}}, {469.2862, 14.021042, "Meta"} -> 
    {{23293, 1, 22103}, {"", ""}}, {259.2508, 14.031133, "Meta"} -> 
    {{50046, 46771, 71670}, {"", ""}}, {242.2245, 14.033613, "Meta"} -> 
    {{889669, 964745, 997996}, {"Isopentadecylic acid [ C15 H30 O2, db=99.40, \
overall=49.70, KEGG ID=, CAS ID= ]", ""}}, {295.2873, 14.061223, "Meta"} -> 
    {{83011, 81453, 69577}, {"", ""}}, {408.1761, 14.037353, "Meta"} -> 
    {{976692, 1.08*^7, 1716184}, 
     {"Trp Gly Phe [ C22 H24 N4 O4, db=41.37, overall=20.69 ]", ""}}, 
   {298.2508, 14.035623, "Meta"} -> {{1, 30953, 24160}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=71.18, overall=35.59, \
Lipid ID=, KEGG ID= ]", ""}}, {454.3265, 13.978308, "Meta"} -> 
    {{1, 188657, 164695}, {"GPCho(O-7:0/O-7:0) [ C22 H49 N O6 P, db=80.05, \
overall=40.03, Lipid ID=LMGP01040080, KEGG ID= ]", ""}}, 
   {449.3718, 14.041364, "Meta"} -> {{1205662, 582969, 813907}, {"", ""}}, 
   {171.108, 14.037002, "Meta"} -> {{1, 999561, 285655}, {"", ""}}, 
   {353.3292, 14.065957, "Meta"} -> {{66022, 50688, 62943}, 
     {"(Z)-N-(2-hydroxyethyl)icos-11-enamide [ C22 H43 N O2, db=53.55, \
overall=26.77, KEGG ID=, CAS ID= ]", ""}}, {358.3083, 14.061032, "Meta"} -> 
    {{6115776, 2329073, 2711648}, {"1-octadecanoyl-rac-glycerol [ C21 H42 O4, \
db=91.49, overall=45.75, KEGG ID=, CAS ID= ]", ""}}, 
   {534.3899, 14.062283, "Meta"} -> {{1131938, 492744, 838255}, {"", ""}}, 
   {1218.8057, 14.057057, "Meta"} -> {{527153, 632727, 446797}, {"", ""}}, 
   {642.91, 14.060259, "Meta"} -> {{1, 105243, 1}, {"", ""}}, 
   {1186.8503, 14.059189, "Meta"} -> {{340062, 276783, 438913}, {"", ""}}, 
   {1103.753, 14.057482, "Meta"} -> {{185716, 229781, 223027}, {"", ""}}, 
   {1169.8226, 14.057669, "Meta"} -> {{771582, 882222, 912240}, {"", ""}}, 
   {1262.8317, 14.057412, "Meta"} -> {{519358, 307747, 204478}, 
     {"Ganglioside GM3 (d18:1/24:1(15Z)) [ C65 H118 N2 O21, db=64.86, \
overall=32.43, HMP ID=HMDB04848, KEGG ID= ]", ""}}, 
   {1152.795, 14.05788, "Meta"} -> {{33407, 77918, 1}, {"", ""}}, 
   {1064.743, 14.0559025, "Meta"} -> {{334982, 50478, 289483}, {"", ""}}, 
   {1213.8492, 14.058307, "Meta"} -> {{407938, 974585, 1040064}, {"", ""}}, 
   {1020.7168, 14.055375, "Meta"} -> {{43845, 51358, 36760}, {"", ""}}, 
   {507.8499, 14.0589695, "Meta"} -> {{40934, 51875, 42843}, {"", ""}}, 
   {1125.7968, 14.0580015, "Meta"} -> {{324265, 770650, 833988}, {"", ""}}, 
   {1108.7697, 14.056641, "Meta"} -> {{337878, 1, 268575}, {"", ""}}, 
   {485.8368, 14.06136, "Meta"} -> {{1, 16207, 1}, {"", ""}}, 
   {1230.8765, 14.069205, "Meta"} -> {{22999, 1, 495938}, {"", ""}}, 
   {1306.8593, 14.060386, "Meta"} -> {{174394, 608401, 437376}, {"", ""}}, 
   {1318.9282, 14.062551, "Meta"} -> {{368721, 440265, 615228}, {"", ""}}, 
   {1257.8752, 14.0591755, "Meta"} -> {{897193, 982076, 984744}, {"", ""}}, 
   {1037.7437, 14.060363, "Meta"} -> {{304393, 333052, 361878}, {"", ""}}, 
   {1054.7722, 14.059851, "Meta"} -> {{64429, 78583, 97183}, {"", ""}}, 
   {1350.8864, 14.060532, "Meta"} -> {{222346, 1, 107669}, {"", ""}}, 
   {1362.9545, 14.064612, "Meta"} -> {{393039, 400785, 593779}, {"", ""}}, 
   {1389.9536, 14.06309, "Meta"} -> {{97315, 94054, 101432}, {"", ""}}, 
   {1142.8239, 14.061389, "Meta"} -> {{197348, 220636, 335276}, {"", ""}}, 
   {976.6912, 14.068707, "Meta"} -> {{270343, 321015, 54379}, {"", ""}}, 
   {422.375, 14.068999, "Meta"} -> {{17449, 16925, 19555}, {"", ""}}, 
   {993.7174, 14.063914, "Meta"} -> {{259802, 262960, 315178}, {"", ""}}, 
   {1438.9374, 14.065999, "Meta"} -> {{333331, 133016, 78084}, {"", ""}}, 
   {1433.9799, 14.066055, "Meta"} -> {{651673, 732001, 157442}, {"", ""}}, 
   {949.6916, 14.066196, "Meta"} -> {{189433, 210283, 230653}, {"", ""}}, 
   {1451.0062, 14.068264, "Meta"} -> {{266391, 381140, 572725}, {"", ""}}, 
   {932.6646, 14.065879, "Meta"} -> {{188646, 216995, 170587}, {"", ""}}, 
   {470.2924, 14.073814, "Meta"} -> {{91798, 47188, 80828}, {"", ""}}, 
   {905.6649, 14.069608, "Meta"} -> {{1, 138429, 1}, {"", ""}}, 
   {1522.0323, 14.071529, "Meta"} -> {{529147, 513727, 517896}, {"", ""}}, 
   {888.6409, 14.076768, "Meta"} -> {{172669, 210157, 235365}, {"", ""}}, 
   {1482.9642, 14.067459, "Meta"} -> {{106821, 371860, 52193}, {"", ""}}, 
   {1174.7784, 14.05864, "Meta"} -> {{537301, 660933, 300026}, {"", ""}}, 
   {1526.9904, 14.071257, "Meta"} -> {{270425, 308932, 25972}, {"", ""}}, 
   {1495.0323, 14.071646, "Meta"} -> {{319086, 336939, 510497}, {"", ""}}, 
   {861.6387, 14.075389, "Meta"} -> {{69122, 103197, 106342}, {"", ""}}, 
   {405.3454, 14.078472, "Meta"} -> {{241643, 126435, 120666}, {"", ""}}, 
   {316.2402, 14.079582, "Meta"} -> {{819536, 2709945, 2921132}, 
     {"pregnenolone [ C21 H32 O2, db=98.88, overall=49.44, KEGG ID=, CAS \
ID=1852-38-6 ]", "1852-38-6"}}, {376.2724, 14.080198, "Meta"} -> 
    {{470671, 608662, 516326}, {"", ""}}, {284.2138, 14.07936, "Meta"} -> 
    {{70780, 58306, 68629}, {"11-cis-Retinaldehyde [ C20 H28 O, db=83.12, \
overall=41.56, HMP ID=HMDB02152, KEGG ID= ]", ""}}, 
   {333.2666, 14.079747, "Meta"} -> {{1536688, 1883038, 2723619}, {"", ""}}, 
   {805.0406, 14.07626, "Meta"} -> {{24785, 30035, 17575}, {"", ""}}, 
   {529.4339, 14.081344, "Meta"} -> {{47843, 41389, 43672}, {"", ""}}, 
   {1632.0676, 14.078387, "Meta"} -> {{300535, 318579, 1}, {"", ""}}, 
   {1583.085, 14.078301, "Meta"} -> {{266783, 277265, 407178}, {"", ""}}, 
   {1627.1108, 14.078733, "Meta"} -> {{151193, 204185, 1}, {"", ""}}, 
   {1676.0933, 14.06074, "Meta"} -> {{186269, 240449, 247850}, {"", ""}}, 
   {1715.1598, 14.067248, "Meta"} -> {{1, 1, 204712}, {"", ""}}, 
   {948.6653, 14.082221, "Meta"} -> {{42185, 53617, 47972}, {"", ""}}, 
   {264.2448, 14.087555, "Meta"} -> {{109856, 102437, 97830}, 
     {"9,12-octadecadienal [ C18 H32 O, db=69.08, overall=34.54, Lipid ID=, \
KEGG ID= ]", ""}}, {1813.1312, 14.077153, "Meta"} -> 
    {{1, 78256, 59465}, {"", ""}}, {546.5012, 14.088577, "Meta"} -> 
    {{33914, 28522, 33641}, {"", ""}}, {367.1936, 14.089778, "Meta"} -> 
    {{45259, 1, 1}, {"N-Desethylquinagolide [ C18 H29 N3 O3 S, db=63.48, \
overall=31.74, KEGG ID=, CAS ID= ]", ""}}, {602.4589, 14.089057, "Meta"} -> 
    {{568633, 625346, 586218}, {"", ""}}, {1808.1718, 14.068594, "Meta"} -> 
    {{120214, 1, 117548}, {"", ""}}, {884.7153, 14.088696, "Meta"} -> 
    {{208265, 272792, 226415}, {"", ""}}, {380.2247, 14.088887, "Meta"} -> 
    {{506561, 558075, 470565}, {"", ""}}, {282.2564, 14.088139, "Meta"} -> 
    {{1543628, 1515556, 1426777}, {"5-octadecylenic acid [ C18 H34 O2, \
db=98.70, overall=49.35, Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, 
   {486.3322, 14.0887165, "Meta"} -> {{524511, 562242, 510520}, {"", ""}}, 
   {868.7374, 14.088824, "Meta"} -> {{39541, 42639, 38419}, {"", ""}}, 
   {299.2823, 14.088805, "Meta"} -> {{625234, 643800, 781248}, 
     {"3-Dehydrosphinganine [ C18 H37 N O2, db=99.55, overall=49.78, KEGG \
ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {338.1754, 14.0895, "Meta"} -> {{81459, 1, 69820}, 
     {"2,3-Dinor-6,15-diketo-13,14-dihydro-PGF1a [ C18 H26 O6, db=42.53, \
overall=21.26, KEGG ID=, CAS ID= ]", ""}}, {586.4805, 14.089943, "Meta"} -> 
    {{40042, 100338, 36743}, {"3',4'-Dihydrorhodovibrin [ C41 H62 O2, \
db=20.76, overall=10.38, Lipid ID=LMPR01070139, KEGG ID= ]", ""}}, 
   {440.2498, 14.08963, "Meta"} -> {{63365, 70071, 70047}, {"", ""}}, 
   {404.1936, 14.090585, "Meta"} -> {{29507, 29978, 1}, 
     {"Lys Glu Glu [ C16 H28 N4 O8, db=45.07, overall=22.53 ]", ""}}, 
   {398.202, 14.090389, "Meta"} -> {{104255, 106980, 108192}, 
     {"His Arg Ser [ C15 H26 N8 O5, db=43.07, overall=21.53 ]", ""}}, 
   {395.1929, 14.089863, "Meta"} -> {{135726, 140092, 115958}, {"", ""}}, 
   {1720.1184, 14.061962, "Meta"} -> {{1, 1, 216637}, {"", ""}}, 
   {434.3862, 14.09189, "Meta"} -> {{67057, 61890, 60671}, {"", ""}}, 
   {320.2035, 14.088819, "Meta"} -> {{77822, 74957, 73283}, {"", ""}}, 
   {357.2667, 14.066502, "Meta"} -> {{1, 1, 47595}, {"", ""}}, 
   {1803.2148, 14.080516, "Meta"} -> {{79008, 93913, 100789}, {"", ""}}, 
   {1847.2441, 14.088383, "Meta"} -> {{55159, 1, 1}, {"", ""}}, 
   {1852.1967, 14.0926, "Meta"} -> {{77161, 1, 1}, {"", ""}}, 
   {1896.2227, 14.094833, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {662.4873, 14.106453, "Meta"} -> {{1, 81506, 92094}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaeno\
yl)-sn-glycerol [ C43 H66 O5, db=68.73, overall=34.37, KEGG ID=, CAS ID= ]", 
      ""}}, {498.3687, 14.089807, "Meta"} -> {{31310, 40547, 21540}, 
     {"(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a,24\
b,24c-trihomo-20-epivitamin D3 [ C32 H50 O4, db=49.58, overall=24.79, Lipid \
ID=LMST03020516, KEGG ID= ]", ""}}, {509.3843, 14.0923605, "Meta"} -> 
    {{5825242, 6369840, 5186581}, {"", ""}}, {466.3657, 14.105546, "Meta"} -> 
    {{1, 514932, 486848}, {"6alpha-Hydroxycastasterone [ C28 H50 O5, \
db=82.12, overall=41.06, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {292.2399, 14.107418, "Meta"} -> {{380032, 509526, 475921}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=85.29, overall=42.65, \
HMP ID=HMDB00412, KEGG ID= ]", ""}}, {580.4317, 14.10757, "Meta"} -> 
    {{75630, 64707, 81179}, {"GPCho(O-18:0/4:0) [ C30 H63 N O7 P, db=63.24, \
overall=31.62, Lipid ID=LMGP01020116, KEGG ID= ]", ""}}, 
   {352.2723, 14.1108885, "Meta"} -> {{164593, 175597, 141493}, {"", ""}}, 
   {309.2668, 14.111446, "Meta"} -> {{350117, 445758, 611617}, 
     {"Dicyclomine [ C19 H35 N O2, db=99.35, overall=49.67, KEGG ID=C06951, \
CAS ID=77-19-0 ]", "77-19-0"}}, {222.1617, 14.1038265, "Meta"} -> 
    {{132578, 380577, 1}, {"", ""}}, {960.7672, 14.101361, "Meta"} -> 
    {{268144, 237324, 212751}, {"", ""}}, {499.2963, 14.121678, "Meta"} -> 
    {{1, 1, 1}, {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=89.57, \
overall=44.79, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {484.378, 14.105919, "Meta"} -> {{71305, 57248, 54738}, {"", ""}}, 
   {420.3042, 14.12719, "Meta"} -> {{339444, 346837, 468407}, 
     {"3D,7D,11D-Phytanic acid [ C29 H40 O2, db=55.51, overall=27.76, HMP \
ID=HMDB00417, KEGG ID= ]", ""}}, {696.4838, 14.114749, "Meta"} -> 
    {{1, 265641, 23614}, {"", ""}}, {514.423, 14.141911, "Meta"} -> 
    {{40172, 56212, 54038}, {"", ""}}, {678.511, 14.121193, "Meta"} -> 
    {{274599, 245410, 208468}, {"GPCho(14:0/14:0[U]) [ C36 H73 N O8 P, \
db=73.61, overall=36.81, Lipid ID=LMGP01010478, KEGG ID= ]", ""}}, 
   {895.5533, 14.136167, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {422.34, 14.145611, "Meta"} -> {{209428, 95186, 249379}, {"", ""}}, 
   {340.298, 14.148811, "Meta"} -> {{1986700, 1501590, 1499505}, 
     {"20-oxo-heneicosanoic acid [ C21 H40 O3, db=96.35, overall=48.18, Lipid \
ID=, KEGG ID= ]", ""}}, {352.334, 14.145808, "Meta"} -> 
    {{1, 1, 1}, {"14Z-tricosenoic acid [ C23 H44 O2, db=81.01, overall=40.50, \
Lipid ID=, KEGG ID= ]", ""}}, {1036.8195, 14.135778, "Meta"} -> 
    {{403467, 321706, 296131}, {"", ""}}, {741.6305, 14.144343, "Meta"} -> 
    {{3056297, 1664659, 2279649}, {"", ""}}, {384.3049, 14.142907, "Meta"} -> 
    {{74867, 62489, 78123}, {"", ""}}, {403.3659, 14.148665, "Meta"} -> 
    {{392055, 345927, 530850}, {"", ""}}, {772.5821, 14.131801, "Meta"} -> 
    {{66326, 86348, 101451}, {"GPCho(16:0/19:2(9Z,12Z)[U]) [ C43 H83 N O8 P, \
db=73.13, overall=36.57, Lipid ID=LMGP01010610, KEGG ID= ]", ""}}, 
   {764.5958, 14.144802, "Meta"} -> {{113120, 258732, 268298}, {"", ""}}, 
   {1054.792, 14.132248, "Meta"} -> {{198854, 134746, 115367}, {"", ""}}, 
   {266.2608, 14.148749, "Meta"} -> {{551255, 413119, 493538}, 
     {"3E,13Z-octadecadien-1-ol [ C18 H34 O, db=97.90, overall=48.95, Lipid \
ID=, KEGG ID= ]", ""}}, {375.3339, 14.148222, "Meta"} -> 
    {{1.13*^7, 7906474, 1.08*^7}, {"", ""}}, {358.3078, 14.148471, "Meta"} -> 
    {{7.54*^7, 5.51*^7, 5.32*^7}, {"1-octadecanoyl-rac-glycerol [ C21 H42 O4, \
db=98.40, overall=49.20, KEGG ID=, CAS ID= ]", ""}}, 
   {418.3406, 14.1476965, "Meta"} -> {{3473591, 2648830, 2043921}, 
     {"1alpha,25-dihydroxy-2alpha-methyl-19-norvitamin D3 / \
1alpha,25-dihydroxy-2alpha-methyl-19-norcholeca [ C27 H46 O3, db=67.02, \
overall=33.51, Lipid ID=LMST03020553, KEGG ID= ]", ""}}, 
   {639.5801, 14.147194, "Meta"} -> {{107181, 70346, 64835}, {"", ""}}, 
   {1200.9023, 14.160806, "Meta"} -> {{88184, 77133, 70402}, {"", ""}}, 
   {1112.877, 14.148324, "Meta"} -> {{1854902, 1471349, 1559835}, {"", ""}}, 
   {814.5844, 14.151257, "Meta"} -> {{467047, 315258, 305708}, {"", ""}}, 
   {769.529, 14.1481085, "Meta"} -> {{463989, 345209, 255832}, {"", ""}}, 
   {1471.1823, 14.148783, "Meta"} -> {{1743408, 1334670, 1045273}, {"", ""}}, 
   {343.3194, 14.142917, "Meta"} -> {{212272, 465817, 260883}, {"", ""}}, 
   {527.2676, 14.149583, "Meta"} -> {{226031, 172776, 142814}, {"", ""}}, 
   {456.2764, 14.150944, "Meta"} -> {{1100357, 880841, 800085}, {"", ""}}, 
   {480.2429, 14.151414, "Meta"} -> {{69552, 68717, 37541}, {"", ""}}, 
   {389.3503, 14.147706, "Meta"} -> {{172010, 135247, 169271}, {"", ""}}, 
   {424.2965, 14.153561, "Meta"} -> {{1, 1, 112192}, 
     {"(22E,24E,26E)-1alpha,26b-dihydroxy-22,23,24,25,26,26a-hexadehydro-26a,\
26b-dihomo-27-norvitamin D3 / [ C28 H40 O3, db=44.45, overall=22.22, Lipid \
ID=LMST03020312, KEGG ID= ]", ""}}, {454.3656, 14.155731, "Meta"} -> 
    {{1, 59816, 1}, {"", ""}}, {564.5589, 14.166798, "Meta"} -> 
    {{1, 27599, 35437}, {"", ""}}, {426.327, 14.133777, "Meta"} -> 
    {{75661, 67095, 1}, {"", ""}}, {846.402, 14.16888, "Meta"} -> 
    {{81209, 375410, 240479}, {"", ""}}, {934.6778, 14.200471, "Meta"} -> 
    {{109161, 47554, 64254}, {"", ""}}, {466.1108, 14.175235, "Meta"} -> 
    {{163782, 1013599, 680466}, {"", ""}}, {285.267, 14.18239, "Meta"} -> 
    {{187996, 284364, 346293}, {"C17 Sphingosine [ C17 H35 N O2, db=93.80, \
overall=46.90, Lipid ID=LMSP01040002, KEGG ID= ]", ""}}, 
   {436.3163, 14.176588, "Meta"} -> {{365885, 197720, 142207}, 
     {"4,4-difluoro-1alpha-hydroxyvitamin D3 / \
4,4-difluoro-1alpha-hydroxycholecalciferol [ C27 H42 F2 O2, db=84.08, \
overall=42.04, Lipid ID=LMST03020138, KEGG ID= ]", ""}}, 
   {268.24, 14.176917, "Meta"} -> {{683394, 1523552, 1406102}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=92.99, overall=46.49, Lipid \
ID=LMFA01030060, KEGG ID= ]", ""}}, {446.3394, 14.189685, "Meta"} -> 
    {{790296, 92089, 888604}, {"1alpha,25-dihydroxy-11beta-methoxyvitamin D3 \
/ 1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, db=80.19, \
overall=40.09, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {398.3198, 14.172886, "Meta"} -> {{1, 65059, 47478}, 
     {"(22Z)-1beta-hydroxy-22,23-didehydrovitamin D_3 / \
(22Z)-1beta-hydroxy-22,23-didehydrocholecalciferol [ C27 H42 O2, db=77.14, \
overall=38.57, Lipid ID=LMST03020151, KEGG ID= ]", ""}}, 
   {434.2678, 14.188435, "Meta"} -> {{1, 1, 1}, {"6'-Hydroxymethylsimvastatin \
[ C25 H38 O6, db=84.90, overall=42.45, KEGG ID=, CAS ID=114883-29-3 ]", 
      "114883-29-3"}}, {1364.8975, 14.194389, "Meta"} -> 
    {{388179, 1, 104542}, {"Ganglioside GA1 (d18:1/26:1(17Z)) [ C70 H128 N2 \
O23, db=75.48, overall=37.74, HMP ID=HMDB04907, KEGG ID= ]", ""}}, 
   {1447.9952, 14.192001, "Meta"} -> {{1, 681494, 655784}, {"", ""}}, 
   {1492.0217, 14.194573, "Meta"} -> {{1, 653168, 115132}, {"", ""}}, 
   {412.2971, 14.195, "Meta"} -> {{41580, 46200, 61389}, 
     {"Calcipotriene [ C27 H40 O3, db=80.60, overall=40.30, KEGG ID=, CAS \
ID=112965-21-6 ]", "112965-21-6"}}, {1496.9803, 14.19325, "Meta"} -> 
    {{53808, 346504, 214307}, {"", ""}}, {1420.9965, 14.197917, "Meta"} -> 
    {{299980, 383172, 537250}, {"", ""}}, {1624.1003, 14.197062, "Meta"} -> 
    {{42668, 401558, 41933}, {"", ""}}, {1817.2332, 14.199793, "Meta"} -> 
    {{120134, 103517, 125917}, {"", ""}}, {1597.101, 14.198148, "Meta"} -> 
    {{226979, 260993, 393332}, {"", ""}}, {1408.9271, 14.194473, "Meta"} -> 
    {{362577, 412929, 282100}, {"", ""}}, {1861.258, 14.196594, "Meta"} -> 
    {{117333, 1, 118955}, {"", ""}}, {1403.9694, 14.194972, "Meta"} -> 
    {{642938, 749326, 716734}, {"", ""}}, {1452.9532, 14.194514, "Meta"} -> 
    {{75148, 360815, 259028}, {"", ""}}, {1509.0479, 14.196716, "Meta"} -> 
    {{1, 349162, 469536}, {"", ""}}, {1465.0219, 14.194402, "Meta"} -> 
    {{308156, 349451, 531573}, {"", ""}}, {1553.0742, 14.197194, "Meta"} -> 
    {{252576, 290607, 433432}, {"", ""}}, {1562.9896, 14.198364, "Meta"} -> 
    {{195277, 226391, 158191}, {"", ""}}, {1536.0472, 14.194414, "Meta"} -> 
    {{29720, 530268, 76304}, {"", ""}}, {1376.9705, 14.195032, "Meta"} -> 
    {{1, 356764, 536383}, {"", ""}}, {1602.0566, 14.198463, "Meta"} -> 
    {{322933, 401694, 1}, {"", ""}}, {1729.1761, 14.185585, "Meta"} -> 
    {{1, 172913, 228249}, {"", ""}}, {1695.0688, 14.195794, "Meta"} -> 
    {{138416, 147415, 103941}, {"", ""}}, {1734.1353, 14.190585, "Meta"} -> 
    {{244792, 1, 216396}, {"", ""}}, {1783.1184, 14.192629, "Meta"} -> 
    {{93505, 95900, 71262}, {"", ""}}, {649.9173, 14.20141, "Meta"} -> 
    {{62290, 84675, 56633}, {"", ""}}, {484.2849, 14.207409, "Meta"} -> 
    {{28067, 37243, 32928}, {"GPGro(16:0/0:0)[U] [ C22 H45 O9 P, db=38.98, \
overall=19.49, Lipid ID=LMGP04050002, KEGG ID= ]", ""}}, 
   {1690.1084, 14.19928, "Meta"} -> {{267013, 290668, 270567}, {"", ""}}, 
   {1739.0945, 14.198658, "Meta"} -> {{115518, 1, 95848}, {"", ""}}, 
   {1651.0406, 14.192531, "Meta"} -> {{161198, 170974, 115698}, {"", ""}}, 
   {1641.1263, 14.192625, "Meta"} -> {{239355, 255698, 1}, {"", ""}}, 
   {1271.8907, 14.198788, "Meta"} -> {{259590, 771000, 714641}, {"", ""}}, 
   {1773.2079, 14.200658, "Meta"} -> {{108628, 144723, 177567}, {"", ""}}, 
   {1822.1873, 14.202721, "Meta"} -> {{133800, 148589, 131171}, {"", ""}}, 
   {613.9317, 14.198634, "Meta"} -> {{445685, 486446, 434483}, {"", ""}}, 
   {1866.2135, 14.191801, "Meta"} -> {{105453, 112823, 111565}, {"", ""}}, 
   {649.4179, 14.206075, "Meta"} -> {{1, 137748, 95015}, {"", ""}}, 
   {1276.8481, 14.198558, "Meta"} -> {{201541, 216875, 149041}, {"", ""}}, 
   {1288.9185, 14.196689, "Meta"} -> {{251904, 328756, 459569}, {"", ""}}, 
   {1871.1737, 14.199768, "Meta"} -> {{66201, 78866, 45313}, {"", ""}}, 
   {1232.82, 14.198863, "Meta"} -> {{211431, 396333, 162149}, {"", ""}}, 
   {1827.1462, 14.200866, "Meta"} -> {{1, 81379, 1}, {"", ""}}, 
   {1778.1611, 14.200578, "Meta"} -> {{180103, 1, 174451}, {"", ""}}, 
   {1244.8917, 14.2033415, "Meta"} -> {{222184, 269061, 355757}, {"", ""}}, 
   {583.7208, 14.204438, "Meta"} -> {{20035, 25208, 25850}, {"", ""}}, 
   {1249.8477, 14.203148, "Meta"} -> {{337289, 364864, 381096}, {"", ""}}, 
   {1200.8668, 14.204945, "Meta"} -> {{183824, 189736, 283087}, {"", ""}}, 
   {365.3013, 14.216527, "Meta"} -> {{80970, 105844, 66502}, {"", ""}}, 
   {1188.7935, 14.202201, "Meta"} -> {{209247, 227930, 267729}, {"", ""}}, 
   {605.8921, 14.206543, "Meta"} -> {{42196, 1, 1}, {"", ""}}, 
   {1183.8381, 14.204194, "Meta"} -> {{253403, 542116, 580862}, {"", ""}}, 
   {1144.769, 14.20787, "Meta"} -> {{260202, 198000, 143969}, {"", ""}}, 
   {424.3908, 14.209613, "Meta"} -> {{39384, 32969, 31418}, {"", ""}}, 
   {554.3656, 14.166631, "Meta"} -> {{29522, 253000, 33848}, {"", ""}}, 
   {1156.8387, 14.209628, "Meta"} -> {{109956, 146025, 190819}, {"", ""}}, 
   {1139.8115, 14.206183, "Meta"} -> {{187429, 199506, 459161}, {"", ""}}, 
   {406.3804, 14.209417, "Meta"} -> {{37469, 31721, 34379}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=79.02, \
overall=39.51, Lipid ID=, KEGG ID= ]", ""}}, {440.3857, 14.214, "Meta"} -> 
    {{187493, 146908, 167489}, {"", ""}}, {488.3482, 14.211999, "Meta"} -> 
    {{238511, 191159, 235448}, {"", ""}}, {1100.7411, 14.209909, "Meta"} -> 
    {{1, 148552, 127703}, {"", ""}}, {514.4233, 14.214094, "Meta"} -> 
    {{36886, 31669, 40746}, {"", ""}}, {1116.779, 14.224416, "Meta"} -> 
    {{361750, 1, 402314}, {"", ""}}, {328.3451, 14.2168, "Meta"} -> 
    {{212545, 207283, 221936}, {"", ""}}, {283.2869, 14.21733, "Meta"} -> 
    {{9743055, 9161499, 4627098}, {"Stearamide [ C18 H37 N O, db=96.78, \
overall=48.39, KEGG ID=, CAS ID=124-26-5 ]", "124-26-5"}}, 
   {431.3039, 14.195275, "Meta"} -> {{52525, 1, 66918}, {"", ""}}, 
   {1051.7598, 14.215641, "Meta"} -> {{136051, 145056, 139276}, {"", ""}}, 
   {1095.7856, 14.213828, "Meta"} -> {{1, 1, 229320}, {"", ""}}, 
   {1012.6886, 14.219436, "Meta"} -> {{56705, 67693, 66662}, {"", ""}}, 
   {1022.7088, 14.223097, "Meta"} -> {{28047, 1, 61648}, {"", ""}}, 
   {422.3747, 14.206687, "Meta"} -> {{30974, 39127, 20271}, {"", ""}}, 
   {1007.7326, 14.221612, "Meta"} -> {{97295, 103140, 108630}, {"", ""}}, 
   {518.3967, 14.2736025, "Meta"} -> {{99584, 131577, 525427}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=61.50, \
overall=30.75, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {1885.1884, 14.293885, "Meta"} -> {{71125, 81069, 48861}, {"", ""}}, 
   {325.2996, 14.210102, "Meta"} -> {{23933, 29527, 27644}, 
     {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, db=43.24, overall=21.62, \
KEGG ID=, CAS ID= ]", ""}}, {612.4955, 14.216895, "Meta"} -> 
    {{68948, 1, 77252}, {"", ""}}, {624.5072, 14.226657, "Meta"} -> 
    {{62483, 56592, 194920}, {"", ""}}, {538.3636, 14.237194, "Meta"} -> 
    {{126368, 75197, 1}, {"", ""}}, {308.2716, 14.231286, "Meta"} -> 
    {{75975, 73232, 62383}, {"5,11-Eicosadienoic acid [ C20 H36 O2, db=81.25, \
overall=40.62, Lipid ID=, KEGG ID= ]", ""}}, {278.2241, 14.218176, "Meta"} -> 
    {{94407, 12751, 89372}, {"beta-eleostearic acid [ C18 H30 O2, db=83.37, \
overall=41.68, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {963.7065, 14.228668, "Meta"} -> {{54706, 58514, 72570}, {"", ""}}, 
   {369.3356, 14.230916, "Meta"} -> {{514223, 419752, 432458}, {"", ""}}, 
   {309.3033, 14.23247, "Meta"} -> {{2060189, 1810401, 1922436}, {"", ""}}, 
   {538.4231, 14.239277, "Meta"} -> {{652861, 3010890, 590725}, 
     {"GPCho(O-16:0/O-4:0[U]) [ C28 H61 N O6 P, db=76.53, overall=38.26, \
Lipid ID=LMGP01040044, KEGG ID= ]", ""}}, {520.413, 14.242222, "Meta"} -> 
    {{1062370, 1033176, 1087420}, {"", ""}}, {647.3629, 14.24356, "Meta"} -> 
    {{35608, 39308, 1}, {"", ""}}, {591.3425, 14.248113, "Meta"} -> 
    {{36861, 1, 22660}, {"", ""}}, {636.3988, 14.250115, "Meta"} -> 
    {{40783, 50660, 29057}, {"", ""}}, {1098.8239, 14.252852, "Meta"} -> 
    {{67200, 1, 1}, {"", ""}}, {594.3456, 14.25331, "Meta"} -> 
    {{32241, 53486, 1}, {"L-Urobilin [ C33 H46 N4 O6, db=35.51, \
overall=17.75, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {256.24, 14.260359, "Meta"} -> {{143304, 132123, 127824}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=78.64, overall=39.32, Lipid \
ID=, KEGG ID= ]", ""}}, {387.3139, 14.260241, "Meta"} -> 
    {{58284, 92022, 147565}, {"", ""}}, {373.2977, 14.262173, "Meta"} -> 
    {{101107, 80894, 113401}, {"Arachidonoylmorpholine [ C24 H39 N O2, \
db=92.07, overall=46.03, Lipid ID=LMFA08020052, KEGG ID= ]", ""}}, 
   {227.1883, 14.25888, "Meta"} -> {{130247, 127139, 122515}, {"", ""}}, 
   {310.2297, 14.267167, "Meta"} -> {{128939, 125871, 134442}, 
     {"Desogestrel [ C22 H30 O, db=87.12, overall=43.56, KEGG ID=, CAS \
ID=54024-22-5 ]", "54024-22-5"}}, {402.2882, 14.268779, "Meta"} -> 
    {{1645495, 1917773, 1189690}, {"", ""}}, {359.2815, 14.267722, "Meta"} -> 
    {{1.06*^7, 1.19*^7, 1.57*^7}, {"", ""}}, {272.1768, 14.267366, "Meta"} -> 
    {{35633, 24924, 37840}, {"5,8,11-octadecatriynoic acid [ C18 H24 O2, \
db=55.08, overall=27.54, Lipid ID=, KEGG ID= ]", ""}}, 
   {390.3498, 14.261562, "Meta"} -> {{25166, 1, 1}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=62.19, overall=31.10, \
Lipid ID=, KEGG ID= ]", ""}}, {440.2236, 14.264084, "Meta"} -> 
    {{54451, 54692, 35960}, {"", ""}}, {458.1971, 14.265822, "Meta"} -> 
    {{29319, 23483, 19615}, {"", ""}}, {722.4598, 14.266535, "Meta"} -> 
    {{23229, 29291, 22221}, {"", ""}}, {698.4571, 14.2792225, "Meta"} -> 
    {{36667, 37911, 31133}, {"", ""}}, {1016.7246, 14.284067, "Meta"} -> 
    {{80248, 1, 1}, {"", ""}}, {234.1617, 14.2904, "Meta"} -> 
    {{55065, 651345, 662898}, {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)\
-9,11-didehydrovitamin D3 / 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, \
db=69.61, overall=34.81, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {416.2236, 14.286627, "Meta"} -> {{71456, 64942, 57486}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=73.66, \
overall=36.83, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {134.1094, 14.287377, "Meta"} -> {{205234, 200693, 268425}, 
     {"p-Cymene [ C10 H14, db=86.48, overall=43.24, Lipid ID=LMPR01020045, \
KEGG ID=C06575 ]", ""}}, {349.2979, 14.288562, "Meta"} -> 
    {{75380, 78482, 1}, {"Anandamide (20:3, n-3) [ C22 H39 N O2, db=74.63, \
overall=37.32, Lipid ID=LMFA08040005, KEGG ID= ]", ""}}, 
   {378.288, 14.29039, "Meta"} -> {{1093988, 1302374, 818705}, {"", ""}}, 
   {1116.8062, 14.30288, "Meta"} -> {{129766, 138327, 72456}, {"", ""}}, 
   {286.2294, 14.290941, "Meta"} -> {{440687, 491184, 524534}, 
     {"11-cis-Retinol [ C20 H30 O, db=99.50, overall=49.75, Lipid \
ID=LMPR01090005, KEGG ID=C00899 ]", ""}}, {318.255, 14.292167, "Meta"} -> 
    {{5494390, 1.8*^7, 1.78*^7}, {"Allopregnanolone [ C21 H34 O2, db=64.02, \
overall=32.01, Lipid ID=LMST02030130, KEGG ID= ]", ""}}, 
   {1310.9695, 14.290519, "Meta"} -> {{18350, 22836, 18959}, {"", ""}}, 
   {434.1969, 14.290781, "Meta"} -> {{30068, 25148, 22269}, 
     {"Trp Met Val [ C21 H30 N4 O4 S, db=56.25, overall=28.12 ]", ""}}, 
   {335.2815, 14.294109, "Meta"} -> {{8086558, 1.01*^7, 1.32*^7}, {"", ""}}, 
   {468.3816, 14.297306, "Meta"} -> {{3723863, 1686426, 3786130}, {"", ""}}, 
   {1044.7502, 14.296883, "Meta"} -> {{119726, 141262, 70527}, {"", ""}}, 
   {674.4608, 14.296427, "Meta"} -> {{41566, 39238, 35641}, {"", ""}}, 
   {1022.7092, 14.298482, "Meta"} -> {{45099, 51426, 1}, {"", ""}}, 
   {1963.3293, 14.298726, "Meta"} -> {{44007, 42807, 1}, {"", ""}}, 
   {577.3202, 14.3007145, "Meta"} -> {{25712, 30723, 14369}, 
     {"dihydro-alpha-ergocryptine [ C32 H43 N5 O5, db=34.25, overall=17.13, \
KEGG ID=, CAS ID= ]", ""}}, {1028.7731, 14.29594, "Meta"} -> 
    {{1, 1, 35558}, {"TG(22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4\
Z,7Z,10Z,13Z,16Z,19Z))[iso3] [ C69 H104 O6, db=30.37, overall=15.19, Lipid \
ID=LMGL03012602, KEGG ID= ]", ""}}, {468.3218, 14.263261, "Meta"} -> 
    {{1, 694715, 1}, {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-did\
ehydrovitamin D3 / 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=54.09, \
overall=27.05, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {1880.2303, 14.295215, "Meta"} -> {{94810, 92627, 83553}, {"", ""}}, 
   {562.4212, 14.302342, "Meta"} -> {{1924274, 1990692, 1901437}, {"", ""}}, 
   {952.666, 14.2989645, "Meta"} -> {{36248, 21269, 37573}, {"", ""}}, 
   {366.3494, 14.30147, "Meta"} -> {{17019, 18277, 18358}, 
     {"Nervonic acid [ C24 H46 O2, db=79.78, overall=39.89, KEGG ID=, CAS \
ID=506-37-6 ]", "506-37-6"}}, {484.287, 14.291407, "Meta"} -> 
    {{42757, 34282, 1}, {"", ""}}, {661.7696, 14.304938, "Meta"} -> 
    {{36986, 38881, 40060}, {"", ""}}, {1836.2034, 14.306453, "Meta"} -> 
    {{148884, 145631, 136421}, {"", ""}}, {634.0719, 14.305877, "Meta"} -> 
    {{32545, 39767, 23913}, {"", ""}}, {603.0685, 14.306771, "Meta"} -> 
    {{45226, 53463, 53213}, {"", ""}}, {604.7206, 14.3060255, "Meta"} -> 
    {{29927, 32791, 27491}, {"", ""}}, {1748.1512, 14.302379, "Meta"} -> 
    {{213234, 230554, 1}, {"", ""}}, {573.7178, 14.306849, "Meta"} -> 
    {{36062, 31659, 37718}, {"", ""}}, {1792.1765, 14.2968, "Meta"} -> 
    {{167540, 205550, 19005}, {"", ""}}, {60.0325, 14.311346, "Meta"} -> 
    {{441914, 484976, 308292}, {"Urea [ C H4 N2 O, db=87.29, overall=43.65, \
KEGG ID=C00086, CAS ID=57-13-6 ]", "57-13-6"}}, 
   {968.7169, 14.309335, "Meta"} -> {{95721, 82051, 74345}, {"", ""}}, 
   {1787.222, 14.30246, "Meta"} -> {{1, 143501, 1}, {"", ""}}, 
   {559.0424, 14.307241, "Meta"} -> {{28033, 32067, 31937}, {"", ""}}, 
   {590.0455, 14.306272, "Meta"} -> {{31344, 28886, 20830}, {"", ""}}, 
   {1831.2483, 14.304244, "Meta"} -> {{103382, 106514, 138972}, {"", ""}}, 
   {1743.1947, 14.307287, "Meta"} -> {{162471, 201854, 218974}, {"", ""}}, 
   {647.0946, 14.304667, "Meta"} -> {{40473, 41490, 41826}, {"", ""}}, 
   {1699.1694, 14.298276, "Meta"} -> {{13122, 231014, 297246}, {"", ""}}, 
   {630.768, 14.307372, "Meta"} -> {{40428, 34763, 48391}, {"", ""}}, 
   {1665.057, 14.310457, "Meta"} -> {{216024, 230827, 169017}, {"", ""}}, 
   {2012.3074, 14.281552, "Meta"} -> {{38699, 30960, 1}, {"", ""}}, 
   {1924.2563, 14.306934, "Meta"} -> {{80788, 77539, 72555}, {"", ""}}, 
   {1616.0728, 14.3115015, "Meta"} -> {{359923, 364036, 1}, {"", ""}}, 
   {1875.2738, 14.2969675, "Meta"} -> {{56128, 78438, 101538}, {"", ""}}, 
   {1550.0645, 14.311656, "Meta"} -> {{455897, 506080, 1}, {"", ""}}, 
   {648.7473, 14.305516, "Meta"} -> {{29518, 33000, 27040}, {"", ""}}, 
   {1523.0645, 14.315276, "Meta"} -> {{312893, 337388, 1}, {"", ""}}, 
   {1506.0385, 14.314786, "Meta"} -> {{496910, 508968, 42620}, {"", ""}}, 
   {1462.0117, 14.3143835, "Meta"} -> {{68790, 83363, 467754}, {"", ""}}, 
   {298.2506, 14.321658, "Meta"} -> {{154040, 145215, 323508}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=73.00, overall=36.50, \
Lipid ID=, KEGG ID= ]", ""}}, {650.4595, 14.318721, "Meta"} -> 
    {{30192, 26246, 32430}, {"", ""}}, {1435.0125, 14.319297, "Meta"} -> 
    {{321752, 377527, 510344}, {"", ""}}, {152.1198, 14.325621, "Meta"} -> 
    {{31216, 26067, 1}, {"Limonene-1,2-epoxide [ C10 H16 O, db=71.21, \
overall=35.61, Lipid ID=LMPR01020046, KEGG ID=C07271 ]", ""}}, 
   {1417.9856, 14.31611, "Meta"} -> {{1, 602239, 1}, {"", ""}}, 
   {596.3593, 14.318885, "Meta"} -> {{111492, 106207, 58939}, {"", ""}}, 
   {1373.9594, 14.321887, "Meta"} -> {{549636, 586301, 516319}, {"", ""}}, 
   {944.712, 14.3222, "Meta"} -> {{98383, 81771, 82782}, {"", ""}}, 
   {196.1459, 14.323223, "Meta"} -> {{25682, 28891, 30180}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=55.50, overall=27.75, Lipid ID=, \
KEGG ID= ]", ""}}, {1329.9312, 14.326601, "Meta"} -> 
    {{95003, 91242, 70134}, {"", ""}}, {1346.9602, 14.32572, "Meta"} -> 
    {{272777, 297015, 1}, {"", ""}}, {626.4591, 14.3310995, "Meta"} -> 
    {{80916, 109732, 1}, {"", ""}}, {244.2189, 14.325999, "Meta"} -> 
    {{130719, 154936, 150483}, {"", ""}}, {325.2979, 14.328285, "Meta"} -> 
    {{51104, 66519, 66873}, {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, \
db=68.35, overall=34.18, KEGG ID=, CAS ID= ]", ""}}, 
   {294.2551, 14.3272505, "Meta"} -> {{1.61*^7, 1.75*^7, 1.7*^7}, 
     {"Sterculic acid [ C19 H34 O2, db=82.34, overall=41.17, Lipid \
ID=LMFA01030190, KEGG ID= ]", ""}}, {262.2296, 14.327582, "Meta"} -> 
    {{573272, 659079, 639831}, {"6-[3]-ladderane-1-hexanol [ C18 H30 O, \
db=81.28, overall=40.64, Lipid ID=, KEGG ID= ]", ""}}, 
   {238.1927, 14.326264, "Meta"} -> {{23539, 27981, 28864}, 
     {"3-pentadecynoic acid [ C15 H26 O2, db=57.86, overall=28.93, Lipid ID=, \
KEGG ID= ]", ""}}, {392.2238, 14.332555, "Meta"} -> 
    {{127913, 119885, 102141}, {"6b-Hydroxycortisol [ C22 H32 O6, db=57.81, \
overall=28.91, KEGG ID=, CAS ID=53-35-0 ]", "53-35-0"}}, 
   {1285.907, 14.330352, "Meta"} -> {{447998, 477226, 1}, {"", ""}}, 
   {198.1614, 14.327666, "Meta"} -> {{29633, 1, 43951}, 
     {"9-lauroleic acid [ C12 H22 O2, db=55.65, overall=27.83, Lipid \
ID=LMFA01030041, KEGG ID= ]", ""}}, {311.2817, 14.328415, "Meta"} -> 
    {{6191369, 7477514, 9709596}, {"", ""}}, {354.2882, 14.326629, "Meta"} -> 
    {{1365270, 1573621, 1144081}, {"", ""}}, 
   {1241.8809, 14.334071, "Meta"} -> {{259073, 1, 1}, {"", ""}}, 
   {410.1968, 14.332834, "Meta"} -> {{31273, 29939, 25176}, {"", ""}}, 
   {920.7121, 14.328693, "Meta"} -> {{113680, 128624, 93344}, {"", ""}}, 
   {372.3238, 14.330667, "Meta"} -> {{719142, 403041, 394663}, 
     {"13,14-dihydroxy-docosanoic acid [ C22 H44 O4, db=92.68, overall=46.34, \
Lipid ID=, KEGG ID= ]", ""}}, {1180.7678, 14.332838, "Meta"} -> 
    {{87516, 112920, 91041}, {"", ""}}, {1214.8828, 14.336967, "Meta"} -> 
    {{1, 172862, 265277}, {"", ""}}, {1258.907, 14.333887, "Meta"} -> 
    {{136004, 183088, 228430}, {"", ""}}, {1170.852, 14.335778, "Meta"} -> 
    {{72240, 180003, 109566}, {"", ""}}, {1197.8549, 14.342236, "Meta"} -> 
    {{286081, 350708, 45392}, {"", ""}}, {1202.8094, 14.343749, "Meta"} -> 
    {{38680, 36052, 23530}, {"", ""}}, {1246.8376, 14.333188, "Meta"} -> 
    {{205163, 256083, 1}, {"", ""}}, {1070.7347, 14.356584, "Meta"} -> 
    {{1, 32165, 1}, {"", ""}}, {587.9054, 14.341818, "Meta"} -> 
    {{69593, 85180, 1}, {"", ""}}, {754.5154, 14.349834, "Meta"} -> 
    {{56966, 69376, 46892}, {"", ""}}, {576.9138, 14.348359, "Meta"} -> 
    {{13715, 113377, 110948}, {"", ""}}, {442.4017, 14.35682, "Meta"} -> 
    {{17570, 161061, 167769}, {"", ""}}, {424.3913, 14.357807, "Meta"} -> 
    {{52300, 40023, 40796}, {"", ""}}, {406.3808, 14.358058, "Meta"} -> 
    {{41321, 36427, 35263}, {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ \
C27 H50 O2, db=83.65, overall=41.82, Lipid ID=, KEGG ID= ]", ""}}, 
   {1109.8003, 14.359261, "Meta"} -> {{44222, 49629, 50191}, {"", ""}}, 
   {880.6371, 14.358142, "Meta"} -> {{18970, 24312, 1}, {"", ""}}, 
   {854.6613, 14.358676, "Meta"} -> {{32068, 27637, 25086}, {"", ""}}, 
   {802.5359, 14.362123, "Meta"} -> {{3281548, 3128458, 1}, {"", ""}}, 
   {390.2761, 14.363417, "Meta"} -> {{9983492, 8968215, 1.48*^7}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=96.27, \
overall=48.13, Lipid ID=, KEGG ID= ]", ""}}, {166.0263, 14.363825, "Meta"} -> 
    {{54758, 54129, 52858}, {"Benzoquinoneacetic acid [ C8 H6 O4, db=86.34, \
overall=43.17, HMP ID=HMDB02334, KEGG ID= ]", ""}}, 
   {506.2177, 14.361897, "Meta"} -> {{23227, 16442, 1}, {"", ""}}, 
   {488.2453, 14.363861, "Meta"} -> {{40669, 43580, 35365}, 
     {"(3a,5b,7a,12a)-3,7-dihydroxy-12-(sulfooxy)cholan-24-oic acid [ C24 H40 \
O8 S, db=80.09, overall=40.05, HMP ID=HMDB02600, KEGG ID= ]", ""}}, 
   {1065.7736, 14.364685, "Meta"} -> {{55466, 47043, 37711}, {"", ""}}, 
   {148.0158, 14.363888, "Meta"} -> {{457458, 440452, 432996}, {"", ""}}, 
   {435.3347, 14.36872, "Meta"} -> {{420189, 671025, 1102646}, {"", ""}}, 
   {260.1407, 14.364168, "Meta"} -> {{32071, 31154, 37156}, {"", ""}}, 
   {510.3212, 14.366528, "Meta"} -> {{214664, 218154, 148201}, 
     {"GPCho(8:0/8:0) [ C24 H49 N O8 P, db=69.20, overall=34.60, Lipid \
ID=LMGP01011251, KEGG ID= ]", ""}}, {421.319, 14.36807, "Meta"} -> 
    {{112044, 90701, 134477}, {"", ""}}, {278.1517, 14.363973, "Meta"} -> 
    {{161351, 167227, 153415}, {"", ""}}, {56.0626, 14.364111, "Meta"} -> 
    {{184761, 169639, 173127}, {"", ""}}, {559.2364, 14.3670025, "Meta"} -> 
    {{56852, 45985, 34226}, {"", ""}}, {707.5107, 14.365907, "Meta"} -> 
    {{1, 62889, 65034}, {"", ""}}, {723.5778, 14.369323, "Meta"} -> 
    {{149778, 137781, 141210}, {"", ""}}, {472.2919, 14.36994, "Meta"} -> 
    {{1, 59518, 56297}, {"", ""}}, {612.496, 14.377229, "Meta"} -> 
    {{54009, 230937, 57924}, {"", ""}}, {693.5309, 14.366889, "Meta"} -> 
    {{138911, 128146, 95042}, {"", ""}}, {311.3178, 14.3759985, "Meta"} -> 
    {{816500, 814548, 787354}, {"", ""}}, {242.1879, 14.379251, "Meta"} -> 
    {{78932, 74088, 79286}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
db=85.66, overall=42.83, Lipid ID=, KEGG ID= ]", ""}}, 
   {206.1667, 14.376665, "Meta"} -> {{31781, 46937, 1}, {"", ""}}, 
   {260.1984, 14.38937, "Meta"} -> {{56130, 53691, 55472}, 
     {"3,11-dihydroxy myristoic acid [ C14 H28 O4, db=63.47, overall=31.73, \
Lipid ID=LMFA01050081, KEGG ID= ]", ""}}, {996.7662, 14.379554, "Meta"} -> 
    {{26042, 19701, 14185}, {"", ""}}, {429.2323, 14.385517, "Meta"} -> 
    {{102522, 71308, 59827}, {"", ""}}, {2021.3699, 14.398199, "Meta"} -> 
    {{43688, 31463, 58129}, {"", ""}}, {504.4169, 14.390971, "Meta"} -> 
    {{81942, 61066, 58420}, {"", ""}}, {540.4393, 14.375798, "Meta"} -> 
    {{78554, 13425, 91065}, {"", ""}}, {890.7617, 14.388518, "Meta"} -> 
    {{260372, 212104, 184482}, {"", ""}}, {298.2869, 14.3915205, "Meta"} -> 
    {{144362, 126324, 127823}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
db=67.14, overall=33.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {397.2157, 14.390834, "Meta"} -> {{1, 42908, 30878}, {"", ""}}, 
   {666.5123, 14.391109, "Meta"} -> {{177301, 150420, 151865}, {"", ""}}, 
   {400.2142, 14.393068, "Meta"} -> {{75349, 56817, 63589}, 
     {"Trp Pro Val [ C21 H28 N4 O4, db=30.15, overall=15.08 ]", ""}}, 
   {284.2715, 14.392412, "Meta"} -> {{1, 513780, 118684}, 
     {"Stearic acid [ C18 H36 O2, db=99.03, overall=49.51, KEGG ID=, CAS \
ID=57-11-4 ]", "57-11-4"}}, {432.2395, 14.391428, "Meta"} -> 
    {{43942, 42127, 32263}, {"", ""}}, {382.2398, 14.392168, "Meta"} -> 
    {{346420, 189065, 207781}, {"", ""}}, {514.3634, 14.388402, "Meta"} -> 
    {{239486, 219580, 203565}, {"", ""}}, {442.2629, 14.3930025, "Meta"} -> 
    {{125884, 107284, 99530}, {"", ""}}, {457.239, 14.3956, "Meta"} -> 
    {{31535, 30581, 21994}, {"", ""}}, {408.3599, 14.406938, "Meta"} -> 
    {{14272, 17078, 45984}, {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, \
db=75.02, overall=37.51, Lipid ID=, KEGG ID= ]", ""}}, 
   {1938.2709, 14.402037, "Meta"} -> {{88171, 100072, 1}, {"", ""}}, 
   {250.193, 14.395028, "Meta"} -> {{112866, 115507, 98195}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=73.78, overall=36.89, \
Lipid ID=, KEGG ID= ]", ""}}, {301.2979, 14.39117, "Meta"} -> 
    {{62328, 51401, 62525}, {"Dihydrosphingosine [ C18 H39 N O2, db=85.23, \
overall=42.62, KEGG ID=C00836, CAS ID=764-22-7 ]", "764-22-7"}}, 
   {522.4279, 14.397862, "Meta"} -> {{246891, 219920, 431439}, {"", ""}}, 
   {1933.3156, 14.403201, "Meta"} -> {{70806, 78329, 1}, {"", ""}}, 
   {416.2903, 14.408222, "Meta"} -> {{33964, 63508, 53066}, 
     {"(24R,25S)-25,26-epoxy-1alpha,24-dihydroxy-27-norvitamin D3 / \
(24R,25S)-25,26-epoxy-1alpha,24-dihydro [ C26 H40 O4, db=47.47, \
overall=23.74, Lipid ID=LMST03020037, KEGG ID= ]", ""}}, 
   {566.3937, 14.392841, "Meta"} -> {{153743, 1, 1}, {"", ""}}, 
   {474.37, 14.399874, "Meta"} -> {{67202, 55601, 250946}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=85.87, \
overall=42.94, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {612.4365, 14.406086, "Meta"} -> {{365391, 270781, 276772}, {"", ""}}, 
   {470.3972, 14.407165, "Meta"} -> {{57200, 1, 46849}, {"", ""}}, 
   {1850.2188, 14.408482, "Meta"} -> {{134363, 149497, 129850}, {"", ""}}, 
   {566.4545, 14.401355, "Meta"} -> {{607332, 727338, 839320}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=61.55, overall=30.77, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {443.3973, 14.4052, "Meta"} -> 
    {{283894, 81289, 133454}, {"", ""}}, {681.1175, 14.41128, "Meta"} -> 
    {{26134, 29762, 21810}, {"", ""}}, {1899.2042, 14.408434, "Meta"} -> 
    {{1, 66850, 58167}, {"", ""}}, {1943.2288, 14.400298, "Meta"} -> 
    {{58853, 60533, 1}, {"", ""}}, {664.7895, 14.409922, "Meta"} -> 
    {{1, 1, 38307}, {"", ""}}, {448.3536, 14.37326, "Meta"} -> 
    {{908261, 469363, 1}, {"Teasterone [ C28 H48 O4, db=51.26, overall=25.63, \
Lipid ID=LMST01030121, KEGG ID= ]", ""}}, {1806.1923, 14.411065, "Meta"} -> 
    {{180949, 1, 140396}, {"", ""}}, {486.4034, 14.407399, "Meta"} -> 
    {{1, 24193, 25781}, {"1alpha,25-dihydroxy-2beta-pentylvitamin D3 / \
1alpha,25-dihydroxy-2beta-pentylcholecalciferol [ C32 H54 O3, db=34.55, \
overall=17.27, Lipid ID=LMST03020520, KEGG ID= ]", ""}}, 
   {1855.1772, 14.401386, "Meta"} -> {{79726, 1, 71288}, {"", ""}}, 
   {651.7665, 14.412334, "Meta"} -> {{24722, 26146, 28176}, {"", ""}}, 
   {593.0646, 14.419587, "Meta"} -> {{1, 22750, 1}, {"", ""}}, 
   {370.3077, 14.410557, "Meta"} -> {{1.5*^7, 1.03*^7, 1.07*^7}, 
     {"Docosanedioic acid [ C22 H42 O4, db=97.13, overall=48.56, Lipid \
ID=LMFA01170037, KEGG ID= ]", ""}}, {404.3647, 14.4150305, "Meta"} -> 
    {{80162, 77823, 74769}, {"5beta-Cholestane-3alpha,7alpha-diol [ C27 H48 \
O2, db=79.14, overall=39.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {1757.2117, 14.41254, "Meta"} -> {{1, 169593, 1}, {"", ""}}, 
   {1801.2352, 14.410735, "Meta"} -> {{138378, 1, 175626}, {"", ""}}, 
   {1811.1512, 14.408364, "Meta"} -> {{1, 98456, 70656}, {"", ""}}, 
   {1762.1667, 14.414145, "Meta"} -> {{184307, 185795, 1}, {"", ""}}, 
   {390.3488, 14.408688, "Meta"} -> {{74590, 71937, 1}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=54.78, overall=27.39, \
Lipid ID=, KEGG ID= ]", ""}}, {583.4808, 14.395259, "Meta"} -> 
    {{47267, 1, 32942}, {"", ""}}, {637.0912, 14.41594, "Meta"} -> 
    {{30704, 1, 32225}, {"", ""}}, {511.4232, 14.415657, "Meta"} -> 
    {{104754, 97304, 102152}, {"", ""}}, {387.335, 14.411082, "Meta"} -> 
    {{878312, 723040, 882658}, {"", ""}}, {470.097, 14.418974, "Meta"} -> 
    {{1.27*^7, 1.52*^7, 1.08*^7}, {"", ""}}, {493.0873, 14.415969, "Meta"} -> 
    {{93517, 108383, 80914}, {"", ""}}, {1723.0979, 14.419501, "Meta"} -> 
    {{1, 126289, 1}, {"", ""}}, {1625.133, 14.422751, "Meta"} -> 
    {{212439, 247668, 1}, {"", ""}}, {1630.0883, 14.423135, "Meta"} -> 
    {{248634, 263241, 1}, {"", ""}}, {1635.048, 14.425599, "Meta"} -> 
    {{139540, 1, 121727}, {"", ""}}, {1586.0623, 14.426733, "Meta"} -> 
    {{255719, 304986, 1}, {"", ""}}, {447.2265, 14.425441, "Meta"} -> 
    {{41139, 72028, 21127}, 
     {"Ser Arg Trp [ C20 H29 N7 O5, db=50.01, overall=25.00 ]", ""}}, 
   {1581.1057, 14.426365, "Meta"} -> {{156384, 271205, 1}, {"", ""}}, 
   {404.3037, 14.428638, "Meta"} -> {{581510, 569509, 546168}, {"", ""}}, 
   {1542.0363, 14.429039, "Meta"} -> {{278225, 291868, 1}, {"", ""}}, 
   {375.3134, 14.427285, "Meta"} -> {{1, 34253, 49385}, 
     {"N-(1,1-dimethyl-2-hydroxy-ethyl) arachidonoyl amine [ C24 H41 N O2, \
db=81.75, overall=40.88, Lipid ID=LMFA08020019, KEGG ID= ]", ""}}, 
   {1591.0197, 14.430484, "Meta"} -> {{1, 1, 104815}, {"", ""}}, 
   {361.2974, 14.432083, "Meta"} -> {{4046248, 4979468, 5936514}, 
     {"N-methyl N-(2-hydroxy-ethyl) arachidonoyl amine [ C23 H39 N O2, \
db=97.58, overall=48.79, Lipid ID=LMFA08020025, KEGG ID= ]", ""}}, 
   {344.2712, 14.433056, "Meta"} -> {{931284, 5394377, 1112131}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=99.04, \
overall=49.52, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {1546.9941, 14.433572, "Meta"} -> {{145813, 153948, 1}, {"", ""}}, 
   {1476.0247, 14.427167, "Meta"} -> {{301400, 32209, 1}, {"", ""}}, 
   {506.4327, 14.461076, "Meta"} -> {{67081, 1, 50561}, {"", ""}}, 
   {1502.967, 14.438209, "Meta"} -> {{143233, 143254, 126461}, {"", ""}}, 
   {420.3577, 14.4446125, "Meta"} -> {{105336, 100170, 102323}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=65.27, \
overall=32.64, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {1387.9729, 14.434806, "Meta"} -> {{1, 282822, 1}, {"", ""}}, 
   {1493.0544, 14.434714, "Meta"} -> {{216387, 243786, 301513}, {"", ""}}, 
   {511.2607, 14.419092, "Meta"} -> {{52992, 42575, 39998}, {"", ""}}, 
   {1449.0283, 14.43929, "Meta"} -> {{189438, 1, 1}, {"", ""}}, 
   {380.3653, 14.448362, "Meta"} -> {{131671, 128558, 125201}, 
     {"17Z-pentacosenoic acid [ C25 H48 O2, db=96.33, overall=48.17, Lipid \
ID=, KEGG ID= ]", ""}}, {1405.001, 14.443967, "Meta"} -> 
    {{165961, 204051, 1}, {"CL(1'-[16:0/18:1(11Z)],3'-[16:0/18:1(11Z)]) [ C77 \
H146 O17 P2, db=86.52, overall=43.26, Lipid ID=LMGP12010006, KEGG ID= ]", 
      ""}}, {1321.905, 14.456001, "Meta"} -> {{144369, 1, 139886}, {"", ""}}, 
   {1316.9497, 14.455285, "Meta"} -> {{136270, 1, 166565}, {"", ""}}, 
   {438.3322, 14.440999, "Meta"} -> {{628759, 373779, 249989}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=78.36, \
overall=39.18, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {1277.8792, 14.461234, "Meta"} -> {{113101, 107459, 97152}, {"", ""}}, 
   {1118.9772, 14.463029, "Meta"} -> {{90900, 80892, 93497}, {"", ""}}, 
   {636.9634, 14.461871, "Meta"} -> {{28759, 33626, 1}, {"", ""}}, 
   {848.7128, 14.462386, "Meta"} -> {{1, 23621, 20218}, {"", ""}}, 
   {1238.8083, 14.467372, "Meta"} -> {{45355, 46233, 46610}, {"", ""}}, 
   {270.2551, 14.466167, "Meta"} -> {{1.85*^7, 1.84*^7, 1.7*^7}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=94.77, overall=47.38, \
Lipid ID=, KEGG ID= ]", ""}}, {287.2824, 14.466778, "Meta"} -> 
    {{1564463, 1682950, 1758475}, {"C17 Sphinganine [ C17 H37 N O2, db=99.39, \
overall=49.69, Lipid ID=LMSP01040003, KEGG ID= ]", ""}}, 
   {400.334, 14.474161, "Meta"} -> {{130169, 114828, 94550}, 
     {"(5E)-1alpha-hydroxy-3-epivitamin D_3 / \
(5E)-1alpha-hydroxy-3-epicholecalciferol [ C27 H44 O2, db=88.78, \
overall=44.39, Lipid ID=LMST03020234, KEGG ID= ]", ""}}, 
   {1194.7839, 14.473861, "Meta"} -> {{29716, 19801, 18461}, {"", ""}}, 
   {1168.9875, 14.479252, "Meta"} -> {{34958, 1, 23537}, {"", ""}}, 
   {330.2883, 14.466946, "Meta"} -> {{338824, 328138, 277472}, {"", ""}}, 
   {320.2708, 14.478832, "Meta"} -> {{1910533, 1.14*^7, 1.15*^7}, 
     {"3a,20b-Pregnanediol [ C21 H36 O2, db=92.32, overall=46.16, HMP \
ID=HMDB02156, KEGG ID= ]", ""}}, {684.1372, 14.495041, "Meta"} -> 
    {{36073, 37636, 1}, {"", ""}}, {418.2392, 14.489999, "Meta"} -> 
    {{19344, 24263, 21517}, 
     {"Met Arg Leu [ C17 H34 N6 O4 S, db=55.58, overall=27.79 ]", ""}}, 
   {337.2972, 14.478779, "Meta"} -> {{6466870, 8577214, 9380267}, {"", ""}}, 
   {948.7409, 14.486519, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {288.2448, 14.4851265, "Meta"} -> {{72318, 78332, 85778}, 
     {"8-[5]-ladderane-1-octanol [ C20 H32 O, db=62.66, overall=31.33, Lipid \
ID=, KEGG ID= ]", ""}}, {380.3036, 14.478943, "Meta"} -> 
    {{669658, 715469, 563289}, {"", ""}}, {351.3139, 14.491401, "Meta"} -> 
    {{53748, 64509, 49705}, {"Anandamide (20:2, n-6) [ C22 H41 N O2, \
db=69.92, overall=34.96, Lipid ID=LMFA08040002, KEGG ID= ]", ""}}, 
   {1124.8135, 14.482899, "Meta"} -> {{1, 68104, 1}, {"", ""}}, 
   {654.7867, 14.500103, "Meta"} -> {{27987, 36809, 37444}, {"", ""}}, 
   {671.1134, 14.4969425, "Meta"} -> {{32044, 39109, 35281}, {"", ""}}, 
   {645.3889, 14.488171, "Meta"} -> {{58529, 71582, 33837}, {"", ""}}, 
   {426.2745, 14.497218, "Meta"} -> {{137391, 102435, 112464}, 
     {"(23S)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone [ C27 H38 \
O4, db=63.52, overall=31.76, Lipid ID=LMST03020599, KEGG ID= ]", ""}}, 
   {685.7893, 14.4935665, "Meta"} -> {{32673, 36471, 34643}, {"", ""}}, 
   {1947.3323, 14.498856, "Meta"} -> {{61895, 67934, 77942}, {"", ""}}, 
   {1996.3118, 14.491321, "Meta"} -> {{70031, 1, 58544}, {"", ""}}, 
   {641.7627, 14.502058, "Meta"} -> {{34274, 37662, 37249}, {"", ""}}, 
   {636.4919, 14.474574, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {2040.3385, 14.493648, "Meta"} -> {{42020, 43053, 41586}, {"", ""}}, 
   {627.0879, 14.50506, "Meta"} -> {{30547, 29993, 28449}, {"", ""}}, 
   {1991.3583, 14.495925, "Meta"} -> {{41089, 50870, 58533}, {"", ""}}, 
   {494.3971, 14.493335, "Meta"} -> {{111985, 192082, 161863}, {"", ""}}, 
   {592.4704, 14.502999, "Meta"} -> {{1556069, 1679374, 1372663}, {"", ""}}, 
   {919.681, 14.505394, "Meta"} -> {{77688, 40493, 45136}, {"", ""}}, 
   {807.8639, 14.509769, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1903.3048, 14.502486, "Meta"} -> {{60009, 80583, 88929}, {"", ""}}, 
   {793.1883, 14.512266, "Meta"} -> {{1, 1, 18518}, {"", ""}}, 
   {1952.2863, 14.502277, "Meta"} -> {{69618, 79874, 77895}, {"", ""}}, 
   {1869.194, 14.502086, "Meta"} -> {{73256, 62909, 46993}, {"", ""}}, 
   {1908.2607, 14.504808, "Meta"} -> {{94332, 93707, 94646}, {"", ""}}, 
   {1820.2089, 14.511034, "Meta"} -> {{109303, 124160, 111470}, {"", ""}}, 
   {963.707, 14.513001, "Meta"} -> {{70499, 44749, 53645}, {"", ""}}, 
   {1781.1418, 14.511568, "Meta"} -> {{86114, 63586, 1}, {"", ""}}, 
   {1776.1823, 14.514804, "Meta"} -> {{131172, 127664, 1}, {"", ""}}, 
   {386.3397, 14.511031, "Meta"} -> {{1347403, 740079, 699820}, 
     {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=96.95, overall=48.47, KEGG \
ID=, CAS ID= ]", ""}}, {1815.2509, 14.512214, "Meta"} -> 
    {{99614, 127428, 117274}, {"", ""}}, {252.2088, 14.522425, "Meta"} -> 
    {{1, 24284, 27103}, {"2E,4E-hexadecadienoic acid [ C16 H28 O2, db=60.20, \
overall=30.10, Lipid ID=, KEGG ID= ]", ""}}, 
   {1771.2264, 14.515609, "Meta"} -> {{116184, 118827, 138133}, {"", ""}}, 
   {294.2194, 14.478001, "Meta"} -> {{1, 14968, 34691}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=80.00, overall=40.00, \
Lipid ID=, KEGG ID= ]", ""}}, {546.4281, 14.479806, "Meta"} -> 
    {{70606, 88880, 298625}, {"", ""}}, {749.1626, 14.516725, "Meta"} -> 
    {{33151, 1, 1}, {"", ""}}, {596.4413, 14.516907, "Meta"} -> 
    {{1, 140707, 132782}, {"", ""}}, {278.2243, 14.527305, "Meta"} -> 
    {{223739, 28782, 222323}, {"beta-eleostearic acid [ C18 H30 O2, db=62.70, \
overall=31.35, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {763.8373, 14.514566, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {276.2084, 14.51291, "Meta"} -> {{28915, 26454, 23605}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=79.59, overall=39.79, Lipid \
ID=, KEGG ID= ]", ""}}, {1222.882, 14.507078, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {1693.0908, 14.519001, "Meta"} -> 
    {{1, 90433, 59905}, {"", ""}}, {1683.1736, 14.522961, "Meta"} -> 
    {{135687, 1, 1}, {"", ""}}, {576.4755, 14.530964, "Meta"} -> 
    {{1, 640498, 677216}, {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-s\
n-glycerol [ C36 H64 O5, db=81.99, overall=40.99, KEGG ID=, CAS ID= ]", ""}}, 
   {1112.8135, 14.532041, "Meta"} -> {{66872, 60986, 64370}, {"", ""}}, 
   {1551.0957, 14.537624, "Meta"} -> {{138277, 1, 166385}, {"", ""}}, 
   {1507.0687, 14.543251, "Meta"} -> {{118073, 143040, 131032}, {"", ""}}, 
   {1463.0459, 14.548631, "Meta"} -> {{97008, 139960, 1}, {"", ""}}, 
   {412.2124, 14.560958, "Meta"} -> {{18647, 22579, 1}, {"", ""}}, 
   {264.2448, 14.558638, "Meta"} -> {{111872, 143498, 121263}, 
     {"9,12-octadecadienal [ C18 H32 O, db=90.59, overall=45.30, Lipid ID=, \
KEGG ID= ]", ""}}, {296.2707, 14.557776, "Meta"} -> 
    {{1.11*^7, 1.35*^7, 1.23*^7}, {"10-methylene-octadecanoic acid [ C19 H36 \
O2, db=84.40, overall=42.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {394.2399, 14.56191, "Meta"} -> {{79314, 68613, 63534}, {"", ""}}, 
   {356.3036, 14.558113, "Meta"} -> {{351966, 420164, 350932}, {"", ""}}, 
   {313.2974, 14.558834, "Meta"} -> {{3565873, 4795550, 4436711}, 
     {"N-(2-hydroxyethyl)heptadecanamide [ C19 H39 N O2, db=99.60, \
overall=49.80, KEGG ID=, CAS ID= ]", ""}}, {327.3145, 14.5584135, "Meta"} -> 
    {{18166, 17817, 24193}, {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, \
db=63.74, overall=31.87, KEGG ID=, CAS ID= ]", ""}}, 
   {496.4124, 14.55775, "Meta"} -> {{38726, 46794, 47699}, {"", ""}}, 
   {1330.9644, 14.569345, "Meta"} -> {{62667, 66757, 46819}, {"", ""}}, 
   {1224.9006, 14.558654, "Meta"} -> {{62367, 1, 46722}, {"", ""}}, 
   {719.8112, 14.559839, "Meta"} -> {{10949, 1, 1}, {"", ""}}, 
   {323.3189, 14.573417, "Meta"} -> {{939253, 652439, 385851}, {"", ""}}, 
   {2054.3523, 14.574896, "Meta"} -> {{51325, 46162, 1}, {"", ""}}, 
   {563.4318, 14.564408, "Meta"} -> {{847783, 817737, 781700}, {"", ""}}, 
   {827.2118, 14.585125, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {387.3137, 14.578861, "Meta"} -> {{97066, 150603, 135925}, {"", ""}}, 
   {1128.8441, 14.582754, "Meta"} -> {{43620, 40315, 41157}, {"", ""}}, 
   {180.1507, 14.5836115, "Meta"} -> {{30605, 29942, 28566}, 
     {"3,6,8-dodecatrien-1-ol [ C12 H20 O, db=70.80, overall=35.40, Lipid \
ID=, KEGG ID= ]", ""}}, {435.3027, 14.588826, "Meta"} -> 
    {{223976, 186520, 246803}, {"", ""}}, {394.3806, 14.587612, "Meta"} -> 
    {{90623, 88262, 69901}, {"Ximenic acid [ C26 H50 O2, db=85.28, \
overall=42.64, Lipid ID=LMFA01030095, KEGG ID= ]", ""}}, 
   {337.3338, 14.585556, "Meta"} -> {{2.88*^7, 2.34*^7, 3.3*^7}, {"", ""}}, 
   {198.1615, 14.583165, "Meta"} -> {{110081, 109574, 106588}, 
     {"9-lauroleic acid [ C12 H22 O2, db=95.30, overall=47.65, Lipid \
ID=LMFA01030041, KEGG ID= ]", ""}}, {457.3779, 14.587459, "Meta"} -> 
    {{163287, 156074, 204133}, {"", ""}}, {397.3668, 14.5889435, "Meta"} -> 
    {{1886512, 1430402, 1860650}, {"", ""}}, {518.3949, 14.583486, "Meta"} -> 
    {{350820, 422265, 314777}, {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)\
vitamin D3 / 1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, \
db=54.02, overall=27.01, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {382.3923, 14.588941, "Meta"} -> {{368149, 593704, 716135}, {"", ""}}, 
   {618.6064, 14.58071, "Meta"} -> {{197471, 193219, 222989}, {"", ""}}, 
   {2010.329, 14.5813465, "Meta"} -> {{40993, 53210, 57539}, {"", ""}}, 
   {749.5934, 14.587584, "Meta"} -> {{192723, 183963, 218120}, {"", ""}}, 
   {434.3736, 14.585371, "Meta"} -> {{56624, 62601, 58229}, 
     {"6-deoxoteasterone [ C28 H50 O3, db=57.43, overall=28.72, Lipid \
ID=LMST01030120, KEGG ID= ]", ""}}, {368.3762, 14.587169, "Meta"} -> 
    {{103743, 115968, 133581}, {"", ""}}, {675.7857, 14.585401, "Meta"} -> 
    {{1, 53619, 1}, {"", ""}}, {570.4849, 14.596359, "Meta"} -> 
    {{60672, 74488, 56264}, {"Dihydrospheroidene/ Methoxyneurosporene [ C41 \
H62 O, db=48.91, overall=24.45, Lipid ID=LMPR01070149, KEGG ID= ]", ""}}, 
   {646.5057, 14.597443, "Meta"} -> {{2088313, 1891024, 1560765}, {"", ""}}, 
   {777.6257, 14.593777, "Meta"} -> {{2412471, 1309999, 2080967}, {"", ""}}, 
   {1878.251, 14.597361, "Meta"} -> {{52423, 1, 62718}, {"", ""}}, 
   {1873.2964, 14.601121, "Meta"} -> {{57439, 1, 66502}, {"", ""}}, 
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     {"5beta-Cholestane-3alpha,7alpha-diol [ C27 H48 O2, db=61.38, \
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   {1228.9321, 14.649517, "Meta"} -> {{254435, 267922, 1}, {"", ""}}, 
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     {"Dihydrosphingosine [ C18 H39 N O2, db=96.01, overall=48.00, KEGG \
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    {{110292, 52699, 78538}, {"2,4,6-Heptatrienoic acid, \
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O3, db=85.11, overall=42.55, KEGG ID=, CAS ID=230976-85-9 ]", 
      "230976-85-9"}}, {504.4172, 14.684583, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {572.4439, 14.696446, "Meta"} -> 
    {{185152, 1, 169054}, {"", ""}}, {420.3589, 14.700999, "Meta"} -> 
    {{37620, 1, 17260}, {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, \
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     {"18-methyl-5Z,9Z-eicosadienoic acid [ C21 H38 O2, db=89.79, \
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    {{1, 79908, 1}, {"", ""}}, {710.4678, 14.679098, "Meta"} -> 
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    {{1, 91448, 1}, {"", ""}}, {658.4167, 14.70937, "Meta"} -> 
    {{104203, 141650, 151848}, {"", ""}}, {652.4213, 14.713416, "Meta"} -> 
    {{339453, 307121, 383968}, {"", ""}}, {316.2608, 14.722626, "Meta"} -> 
    {{641964, 1, 1}, {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=57.03, \
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   {618.4829, 14.717896, "Meta"} -> {{8429900, 1, 7911002}, {"", ""}}, 
   {464.3117, 14.712481, "Meta"} -> {{1, 12883, 26545}, 
     {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic \
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   {627.543, 14.723062, "Meta"} -> {{44027, 33501, 25073}, {"", ""}}, 
   {298.2502, 14.720165, "Meta"} -> {{1881970, 1.52*^7, 1525492}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=96.33, overall=48.16, \
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    {{528235, 673873, 646755}, {"24-Nor-5beta-cholane-3alpha,7alpha,23-triol \
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   {787.8574, 14.717876, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1248.9193, 14.717847, "Meta"} -> {{62705, 82741, 89301}, {"", ""}}, 
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    {{1318567, 1783465, 1541288}, {"13E,17-octadecadienoic acid [ C18 H32 O2, \
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   {641.5592, 14.724205, "Meta"} -> {{80380, 144524, 79467}, {"", ""}}, 
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   {878.9283, 14.734208, "Meta"} -> {{36153, 36719, 1}, {"", ""}}, 
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   {660.5212, 14.728284, "Meta"} -> {{1409213, 1246007, 1168379}, {"", ""}}, 
   {327.314, 14.733674, "Meta"} -> {{61518, 75652, 55267}, 
     {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, db=66.95, overall=33.47, \
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    {{149373, 150878, 154701}, {"trans-gondoic acid [ C20 H38 O2, db=60.53, \
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     {"1-(9Z,12Z-heptadecadienoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero\
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   {389.3293, 14.748772, "Meta"} -> {{1, 455428, 380799}, 
     {"(-)N-(1R-methyl-2-hydroxy-ethyl) alpha,alpha-dimethylarachidonoyl \
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     {"1alpha-hydroxy-24-methylvitamin D2 / \
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    {{855213, 797315, 810445}, {"", ""}}, {298.2872, 14.814419, "Meta"} -> 
    {{2531197, 9755694, 1.16*^7}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
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   {1010.7714, 14.841031, "Meta"} -> {{218322, 237524, 281032}, {"", ""}}, 
   {861.6182, 14.853371, "Meta"} -> {{256004, 276673, 260380}, 
     {"Galabiosylceramide (d18:1/16:0) [ C46 H87 N O13, db=96.56, \
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   {339.3499, 14.845642, "Meta"} -> {{117392, 120082, 323375}, 
     {"Docosanamide [ C22 H45 N O, db=95.67, overall=47.83, HMP ID=HMDB00583, \
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    {{235599, 76988, 196617}, {"", ""}}, {656.5257, 14.851055, "Meta"} -> 
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     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
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    {{349020, 1, 62675}, {"", ""}}, {341.3288, 14.878036, "Meta"} -> 
    {{1, 29197, 98264}, {"", ""}}, {324.3027, 14.878835, "Meta"} -> 
    {{43373, 61112, 205013}, {"2-propyl-9Z-octadecenoic Acid [ C21 H40 O2, \
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   {365.3654, 14.881139, "Meta"} -> {{149821, 144499, 642953}, {"", ""}}, 
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   {720.5765, 14.894582, "Meta"} -> {{159598, 156400, 161234}, {"", ""}}, 
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   {1454.0242, 14.914153, "Meta"} -> {{169409, 168142, 161604}, {"", ""}}, 
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   {1252.9672, 14.923705, "Meta"} -> {{1, 1, 44661}, {"", ""}}, 
   {700.5531, 14.915303, "Meta"} -> {{5.34*^7, 5.22*^7, 5.24*^7}, {"", ""}}, 
   {798.5251, 14.918499, "Meta"} -> {{319731, 342339, 400725}, {"", ""}}, 
   {869.5117, 14.918613, "Meta"} -> {{148951, 152136, 147947}, {"", ""}}, 
   {1457.028, 14.91376, "Meta"} -> {{173944, 170037, 182554}, {"", ""}}, 
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   {813.4938, 14.918886, "Meta"} -> {{100243, 135661, 128358}, {"", ""}}, 
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   {753.4737, 14.916138, "Meta"} -> {{158775, 174672, 187636}, {"", ""}}, 
   {914.7343, 14.930177, "Meta"} -> {{34322, 34708, 180972}, 
     {"TG(17:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] [ C60 H98 \
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   {428.3655, 14.930514, "Meta"} -> {{1233044, 1201820, 2228908}, 
     {"25-hydroxy-26,27-dimethylvitamin D3 / \
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   {858.6343, 14.935901, "Meta"} -> {{1, 1, 47677}, {"", ""}}, 
   {491.4338, 14.930941, "Meta"} -> {{35875, 45439, 129812}, {"", ""}}, 
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    {{54788, 82268, 89263}, {"", ""}}, {576.4755, 14.971321, "Meta"} -> 
    {{111164, 1, 139303}, {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-s\
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   {1427.0582, 14.953704, "Meta"} -> {{325623, 318906, 326956}, {"", ""}}, 
   {1287.0085, 14.963088, "Meta"} -> {{151048, 157667, 195736}, {"", ""}}, 
   {747.6484, 14.962824, "Meta"} -> {{76483, 74182, 28419}, {"", ""}}, 
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    {{1, 490846, 1}, {"", ""}}, {509.4806, 14.9780655, "Meta"} -> 
    {{58420, 46591, 58656}, {"Cer(d18:1/14:0) [ C32 H63 N O3, db=92.56, \
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   {430.1711, 14.9816675, "Meta"} -> {{73197, 68897, 78916}, {"", ""}}, 
   {430.3446, 14.98436, "Meta"} -> {{541969, 576094, 650301}, 
     {"2beta-methyl-1alpha,25-dihydroxyvitamin D_3 / \
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   {500.3479, 14.986893, "Meta"} -> {{1, 49789, 56218}, {"", ""}}, 
   {415.3571, 14.983973, "Meta"} -> {{1029181, 966032, 1095328}, {"", ""}}, 
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   {848.9196, 14.9934225, "Meta"} -> {{1, 23006, 1}, {"", ""}}, 
   {726.5681, 14.998588, "Meta"} -> {{4370449, 3479405, 3691584}, {"", ""}}, 
   {764.5152, 14.999655, "Meta"} -> {{117264, 109195, 1}, {"", ""}}, 
   {444.3601, 15.005182, "Meta"} -> {{128637, 117779, 116053}, 
     {"1alpha,25-dihydroxy-26,27-dimethylvitamin D3 / \
1alpha,25-dihydroxy-26,27-dimethylcholecalciferol [ C29 H48 O3, db=61.94, \
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    {{1978702, 1750382, 1681219}, {"", ""}}, {578.5272, 15.79175, "Meta"} -> 
    {{619119, 320912, 375162}, {"", ""}}, {646.4517, 15.798346, "Meta"} -> 
    {{33850, 27229, 28167}, {"GPA(14:0/18:1(9Z)) [ C35 H67 O8 P, db=53.75, \
overall=26.87, Lipid ID=LMGP10010019, KEGG ID= ]", ""}}, 
   {629.6106, 15.80247, "Meta"} -> {{82230, 88073, 82122}, {"", ""}}, 
   {647.6218, 15.803638, "Meta"} -> {{476393, 520643, 485742}, 
     {"Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, db=94.85, overall=47.43, \
HMP ID=HMDB04953, KEGG ID= ]", ""}}, {618.52, 15.807126, "Meta"} -> 
    {{1082380, 583754, 1}, {"1-octadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-s\
n-glycerol [ C39 H70 O5, db=91.14, overall=45.57, KEGG ID=, CAS ID= ]", ""}}, 
   {800.6776, 15.794722, "Meta"} -> {{2616401, 2273584, 2245050}, {"", ""}}, 
   {613.5643, 15.813304, "Meta"} -> {{960648, 589854, 680218}, {"", ""}}, 
   {720.5875, 15.822541, "Meta"} -> {{1, 63599, 105911}, 
     {"GPCho(O-16:0/16:0) [ C40 H83 N O7 P, db=74.12, overall=37.06, Lipid \
ID=LMGP01020029, KEGG ID= ]", ""}}, {863.6402, 15.794833, "Meta"} -> 
    {{361699, 242002, 224458}, {"", ""}}, {661.637, 15.824202, "Meta"} -> 
    {{71048, 76503, 62003}, {"", ""}}, {813.6251, 15.798603, "Meta"} -> 
    {{5672082, 3206705, 3172227}, {"", ""}}, {847.6456, 15.813998, "Meta"} -> 
    {{2850483, 2574133, 1609947}, {"", ""}}, {551.4249, 15.827079, "Meta"} -> 
    {{19494, 19027, 13624}, {"", ""}}, {797.6297, 15.801678, "Meta"} -> 
    {{3189369, 2175868, 2325641}, {"", ""}}, {661.4929, 15.831914, "Meta"} -> 
    {{63711, 66023, 66276}, {"", ""}}, {605.6104, 15.850416, "Meta"} -> 
    {{231275, 227511, 227877}, {"", ""}}, {834.2323, 15.869839, "Meta"} -> 
    {{1, 46182, 53722}, {"", ""}}, {831.2332, 15.870869, "Meta"} -> 
    {{1, 155384, 160212}, {"", ""}}, {627.5816, 15.898941, "Meta"} -> 
    {{112837, 61265, 73127}, {"", ""}}, {631.6267, 15.875499, "Meta"} -> 
    {{232181, 281564, 262075}, {"", ""}}, {592.5431, 15.88767, "Meta"} -> 
    {{86827, 39619, 50585}, {"", ""}}, {801.6253, 15.848322, "Meta"} -> 
    {{467354, 1, 340065}, {"GPEtn(22:1(13Z)/18:0)[U] [ C45 H88 N O8 P, \
db=86.54, overall=43.27, Lipid ID=LMGP02010033, KEGG ID= ]", ""}}, 
   {632.5355, 15.902878, "Meta"} -> {{165069, 83092, 123062}, 
     {"1-(9Z-heptadecenoyl)-2-(11Z,14Z-eicosadienoyl)-sn-glycerol [ C40 H72 \
O5, db=87.97, overall=43.98, KEGG ID=, CAS ID= ]", ""}}, 
   {839.6394, 15.8606, "Meta"} -> {{329278, 1, 297071}, {"", ""}}, 
   {814.6932, 15.912194, "Meta"} -> {{5444293, 4825119, 4356497}, {"", ""}}, 
   {852.6397, 15.911029, "Meta"} -> {{198089, 162273, 200604}, {"", ""}}, 
   {773.63, 15.906822, "Meta"} -> {{1869108, 1545513, 1736916}, {"", ""}}, 
   {823.6456, 15.917723, "Meta"} -> {{5615054, 4639504, 4670749}, {"", ""}}, 
   {649.6372, 15.946309, "Meta"} -> {{352919, 311198, 367024}, 
     {"N-Lignoceroylsphingosine [ C42 H83 N O3, db=98.89, overall=49.44, HMP \
ID=HMDB00831, KEGG ID= ]", ""}}, {861.593, 15.911041, "Meta"} -> 
    {{107301, 90788, 97536}, {"", ""}}, {849.6617, 15.960544, "Meta"} -> 
    {{7401973, 6109391, 5189299}, {"", ""}}, {606.5589, 16.002474, "Meta"} -> 
    {{1689877, 679002, 841356}, {"", ""}}, {887.608, 15.950258, "Meta"} -> 
    {{224662, 132556, 103427}, {"", ""}}, {646.5512, 16.021963, "Meta"} -> 
    {{1, 1556070, 2260852}, {"1-(9Z-octadecenoyl)-2-(11Z,14Z-eicosadienoyl)-s\
n-glycerol [ C41 H74 O5, db=90.48, overall=45.24, KEGG ID=, CAS ID= ]", ""}}, 
   {669.6274, 16.021229, "Meta"} -> {{372793, 201966, 238689}, {"", ""}}, 
   {663.653, 16.021738, "Meta"} -> {{86238, 78577, 71426}, 
     {"Ceramide (d18:1/25:0) [ C43 H85 N O3, db=93.46, overall=46.73, HMP \
ID=HMDB04957, KEGG ID= ]", ""}}, {580.3012, 15.999072, "Meta"} -> 
    {{147039, 121407, 107168}, {"", ""}}, {641.5965, 16.03561, "Meta"} -> 
    {{2532353, 1154602, 1608069}, {"", ""}}, {633.6424, 16.0732, "Meta"} -> 
    {{348308, 293543, 423131}, {"", ""}}, {875.6776, 16.05178, "Meta"} -> 
    {{6442777, 3986087, 3938151}, {"", ""}}, {877.6932, 16.229668, "Meta"} -> 
    {{9667607, 8132082, 7261309}, {"", ""}}, {903.7076, 16.322107, "Meta"} -> 
    {{1229461, 1334449, 1}, {"", ""}}, {958.9559, 0.36646155, "Meta"} -> 
    {{1, 33500, 28236}, {"", ""}}, {2422.0625, 0.37100002, "Meta"} -> 
    {{28675, 1, 31928}, {"", ""}}, {1742.01, 0.37975758, "Meta"} -> 
    {{43586, 42234, 40736}, {"", ""}}, {1578.0028, 0.38074994, "Meta"} -> 
    {{49873, 44077, 43269}, {"", ""}}, {1988.023, 0.37995836, "Meta"} -> 
    {{1, 28016, 1}, {"", ""}}, {1824.0161, 0.38057694, "Meta"} -> 
    {{31899, 37250, 39179}, {"", ""}}, {547.9159, 0.39203572, "Meta"} -> 
    {{148000, 142751, 108731}, {"", ""}}, {721.7918, 0.40096295, "Meta"} -> 
    {{69160, 75399, 70864}, {"", ""}}, {557.7853, 0.40799993, "Meta"} -> 
    {{1, 152775, 145315}, {"", ""}}, {791.6165, 0.41215378, "Meta"} -> 
    {{40979, 1, 17062}, {"", ""}}, {633.7165, 0.41170967, "Meta"} -> 
    {{22385, 22060, 32933}, {"", ""}}, {252.1202, 0.45106667, "Meta"} -> 
    {{78156, 72339, 66287}, 
     {"Pro His [ C11 H16 N4 O3, db=76.47, overall=38.23 ]", ""}}, 
   {246.1942, 0.46209374, "Meta"} -> {{28816, 36633, 33419}, {"", ""}}, 
   {278.1842, 0.46203128, "Meta"} -> {{77126, 98012, 67778}, {"", ""}}, 
   {304.1997, 0.46772003, "Meta"} -> {{21097, 23220, 1}, {"", ""}}, 
   {218.1628, 0.46839395, "Meta"} -> {{84510, 100578, 93439}, {"", ""}}, 
   {274.1643, 0.46503848, "Meta"} -> {{1, 34503, 35207}, 
     {"Ala Gly Lys [ C11 H22 N4 O4, db=47.47, overall=23.74 ]", ""}}, 
   {380.0201, 0.5091111, "Meta"} -> {{338975, 85715, 324713}, {"", ""}}, 
   {352.0515, 0.53367996, "Meta"} -> {{81563, 56693, 73440}, {"", ""}}, 
   {135.068, 0.55345714, "Meta"} -> {{141881, 141860, 126460}, 
     {"2-Phenylacetamide [ C8 H9 N O, db=85.97, overall=42.98, KEGG \
ID=C02505, CAS ID=103-81-1 ]", "103-81-1"}}, {281.1835, 0.605074, "Meta"} -> 
    {{57045, 42594, 42539}, {"", ""}}, {115.0629, 0.69411117, "Meta"} -> 
    {{1, 1, 193531}, {"Proline [ C5 H9 N O2, db=79.13, overall=39.57, KEGG \
ID=C00148, CAS ID=147-85-3 ]", "147-85-3"}}, {131.0587, 0.6995, "Meta"} -> 
    {{167228, 80257, 146968}, {"Trans-4-Hydroxy-L-proline [ C5 H9 N O3, \
db=60.12, overall=30.06, KEGG ID=, CAS ID=51-35-4 ]", "51-35-4"}}, 
   {526.0667, 0.66112, "Meta"} -> {{24689, 24775, 1}, {"", ""}}, 
   {380.0206, 0.6642414, "Meta"} -> {{1, 1, 17641}, {"", ""}}, 
   {306.0645, 0.74877775, "Meta"} -> {{77090, 72330, 1}, {"", ""}}, 
   {382.1085, 0.74347997, "Meta"} -> {{30106, 34432, 1}, {"", ""}}, 
   {345.1429, 0.8536799, "Meta"} -> {{31326, 38606, 36259}, {"", ""}}, 
   {138.0291, 0.95441395, "Meta"} -> {{78513, 93514, 47842}, {"", ""}}, 
   {172.0702, 0.99353826, "Meta"} -> {{2.23*^7, 2.15*^7, 2.02*^7}, {"", ""}}, 
   {167.1155, 1.0165, "Meta"} -> {{479669, 512970, 463308}, {"", ""}}, 
   {374.102, 1.0232002, "Meta"} -> {{44535, 1, 14988}, {"", ""}}, 
   {143.0731, 1.2776923, "Meta"} -> {{264621, 291351, 259458}, {"", ""}}, 
   {145.0524, 1.2775834, "Meta"} -> {{1, 449548, 454701}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=90.43, overall=45.21, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {219.1104, 1.44356, "Meta"} -> 
    {{45465, 34441, 1}, {"Pantothenic Acid [ C9 H17 N O5, db=54.47, \
overall=27.23, KEGG ID=, CAS ID=137-08-6 ]", "137-08-6"}}, 
   {309.1688, 3.743654, "Meta"} -> {{57959, 134133, 101815}, 
     {"Pro Pro Pro [ C15 H23 N3 O4, db=83.74, overall=41.87 ]", ""}}, 
   {579.254, 6.318081, "Meta"} -> {{51466, 45195, 42200}, 
     {"2-[[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-Ethane\
sulfonic acid [ C26 H45 N O9 S2, db=83.71, overall=41.85, HMP ID=HMDB02449, \
KEGG ID= ]", ""}}, {419.4932, 6.474, "Meta"} -> {{21447, 15901, 13798}, 
     {"", ""}}, {723.3073, 6.4805007, "Meta"} -> {{14008, 15475, 1}, 
     {"", ""}}, {420.8636, 6.645, "Meta"} -> {{1, 1, 36620}, {"", ""}}, 
   {414.1035, 7.120406, "Meta"} -> {{22493, 23458, 20467}, {"", ""}}, 
   {1517.675, 7.538903, "Meta"} -> {{1, 37820, 34625}, {"", ""}}, 
   {1106.4865, 7.75332, "Meta"} -> {{81857, 118841, 108403}, {"", ""}}, 
   {427.849, 7.8510604, "Meta"} -> {{54292, 60829, 57337}, {"", ""}}, 
   {239.9882, 8.1396, "Meta"} -> {{245397, 893208, 258513}, {"", ""}}, 
   {313.2252, 8.670879, "Meta"} -> {{31191, 32609, 1}, {"", ""}}, 
   {465.1866, 8.675655, "Meta"} -> {{34559, 1, 47402}, 
     {"Biotripyrrin-b [ C25 H27 N3 O6, db=43.66, overall=21.83, HMP \
ID=HMDB03324, KEGG ID= ]", ""}}, {602.3041, 9.497844, "Meta"} -> 
    {{14484, 1, 1}, {"", ""}}, {559.2988, 9.497002, "Meta"} -> 
    {{15440, 14337, 19445}, {"", ""}}, {263.127, 9.515958, "Meta"} -> 
    {{1, 34710, 1}, {"", ""}}, {420.2259, 9.685075, "Meta"} -> 
    {{1, 29393, 21755}, 
     {"His His Lys [ C18 H28 N8 O4, db=54.50, overall=27.25 ]", ""}}, 
   {240.1338, 9.749299, "Meta"} -> {{46471, 62973, 51235}, {"", ""}}, 
   {176.0454, 9.963879, "Meta"} -> {{36322, 30123, 34707}, {"", ""}}, 
   {533.1125, 10.0555, "Meta"} -> {{48156, 45661, 36310}, 
     {"Indomethacin glucuronide [ C25 H24 Cl N O10, db=40.58, overall=20.29, \
KEGG ID=, CAS ID=75523-11-4 ]", "75523-11-4"}}, 
   {593.1437, 10.055286, "Meta"} -> {{53019, 54790, 32576}, {"", ""}}, 
   {536.1192, 10.055125, "Meta"} -> {{18888, 21886, 1}, {"", ""}}, 
   {335.1544, 10.10977, "Meta"} -> {{25009, 26969, 25591}, 
     {"Cys Leu Thr [ C13 H25 N3 O5 S, db=37.55, overall=18.77 ]", ""}}, 
   {630.2684, 10.324069, "Meta"} -> {{42719, 37557, 1}, {"", ""}}, 
   {219.129, 10.36744, "Meta"} -> {{255620, 59739, 47326}, {"", ""}}, 
   {250.1198, 10.418655, "Meta"} -> {{34776, 28811, 30435}, 
     {"Ubiquinone [ C14 H18 O4, db=60.72, overall=30.36, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {302.184, 10.730654, "Meta"} -> {{24525, 1, 1}, {"", ""}}, 
   {323.228, 10.9723625, "Meta"} -> {{379933, 674416, 247189}, {"", ""}}, 
   {171.162, 11.016933, "Meta"} -> {{35908, 27073, 14556}, {"", ""}}, 
   {564.3483, 11.143167, "Meta"} -> {{40210, 41662, 1}, {"", ""}}, 
   {273.0832, 11.159881, "Meta"} -> {{145078, 32444, 1}, {"", ""}}, 
   {503.2805, 11.289723, "Meta"} -> {{29271, 24922, 29152}, {"", ""}}, 
   {396.1934, 11.289607, "Meta"} -> {{46690, 36892, 36861}, 
     {"Pregnenolone sulfate [ C21 H32 O5 S, db=58.26, overall=29.13, HMP \
ID=HMDB00774, KEGG ID= ]", ""}}, {475.2532, 11.290502, "Meta"} -> 
    {{65445, 57508, 1}, {"", ""}}, {632.2486, 11.370108, "Meta"} -> 
    {{1, 63475, 139402}, {"", ""}}, {580.226, 11.39536, "Meta"} -> 
    {{1, 15164, 12247}, {"", ""}}, {456.167, 11.397059, "Meta"} -> 
    {{24524, 23534, 27225}, {"", ""}}, {395.3032, 11.612541, "Meta"} -> 
    {{28142, 20230, 1}, {"", ""}}, {360.3347, 11.940929, "Meta"} -> 
    {{13548, 21565, 23673}, {"", ""}}, {171.1081, 11.943874, "Meta"} -> 
    {{690564, 752493, 538248}, {"", ""}}, {396.2831, 12.028556, "Meta"} -> 
    {{66526, 21485, 1494959}, {"", ""}}, {313.2616, 12.047375, "Meta"} -> 
    {{252426, 615935, 183432}, {"", ""}}, {842.5207, 12.128361, "Meta"} -> 
    {{1, 27093, 1}, {"Spiramycin 1 [ C43 H74 N2 O14, db=60.72, overall=30.36, \
KEGG ID=C01754, CAS ID=24916-50-5 ]", "24916-50-5"}}, 
   {604.1137, 12.167592, "Meta"} -> {{11951, 12784, 1}, {"", ""}}, 
   {381.9989, 12.185469, "Meta"} -> {{32376, 31008, 23024}, {"", ""}}, 
   {572.2186, 12.2466, "Meta"} -> {{16340, 15112, 1}, {"", ""}}, 
   {396.1641, 12.277833, "Meta"} -> {{1, 71604, 19272}, 
     {"Asn Tyr Thr [ C17 H24 N4 O7, db=61.81, overall=30.90 ]", ""}}, 
   {254.0726, 12.292558, "Meta"} -> {{61771, 45847, 41932}, 
     {"Acetaminophen-cysteine [ C11 H14 N2 O3 S, db=76.73, overall=38.36, \
KEGG ID=, CAS ID=64014-06-8 ]", "64014-06-8"}}, 
   {322.1171, 12.32875, "Meta"} -> {{17100, 34854, 1}, {"", ""}}, 
   {614.4236, 12.339584, "Meta"} -> {{1, 74168, 1}, {"", ""}}, 
   {323.2098, 12.388596, "Meta"} -> {{81015, 90030, 1}, 
     {"Betaxolol(hydroxylation) [ C18 H29 N O4, db=71.49, overall=35.74, KEGG \
ID=, CAS ID=87549-35-7 ]", "87549-35-7"}}, {618.251, 12.430832, "Meta"} -> 
    {{37014, 41251, 1}, {"", ""}}, {438.3565, 12.462166, "Meta"} -> 
    {{17380, 18441, 16721}, {"", ""}}, {724.4581, 12.46508, "Meta"} -> 
    {{26827, 1, 32776}, {"", ""}}, {336.228, 12.510321, "Meta"} -> 
    {{69367, 77315, 99508}, {"15-epi-PGA1 [ C20 H32 O4, db=70.01, \
overall=35.01, Lipid ID=LMFA03010047, KEGG ID= ]", ""}}, 
   {431.3032, 12.516041, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {339.2776, 12.558571, "Meta"} -> {{1, 61982, 66964}, {"", ""}}, 
   {359.2849, 12.620791, "Meta"} -> {{132492, 109843, 257239}, {"", ""}}, 
   {1120.5815, 12.721594, "Meta"} -> {{284095, 1, 60496}, {"", ""}}, 
   {360.0762, 12.647442, "Meta"} -> {{11784, 27396, 15103}, {"", ""}}, 
   {870.5521, 12.68296, "Meta"} -> {{1, 31244, 1}, {"", ""}}, 
   {594.374, 12.7149315, "Meta"} -> {{54416, 57188, 47173}, 
     {"7,8-Didehydroastaxanthin [ C40 H50 O4, db=74.93, overall=37.46, Lipid \
ID=LMPR01070051, KEGG ID= ]", ""}}, {909.6228, 12.728479, "Meta"} -> 
    {{1, 22755, 1}, {"", ""}}, {372.2657, 12.741412, "Meta"} -> 
    {{1, 18220, 18648}, {"(22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid [ \
C24 H36 O3, db=63.76, overall=31.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {354.3241, 12.753935, "Meta"} -> {{35261, 30445, 37349}, {"", ""}}, 
   {633.4446, 12.767465, "Meta"} -> {{48214, 44159, 42699}, {"", ""}}, 
   {638.4002, 12.7673855, "Meta"} -> {{42141, 42103, 33243}, {"", ""}}, 
   {546.238, 12.80944, "Meta"} -> {{73372, 54983, 32227}, {"", ""}}, 
   {430.2145, 12.858498, "Meta"} -> {{36113, 35845, 49239}, {"", ""}}, 
   {381.2643, 12.864834, "Meta"} -> {{98602, 105116, 56054}, 
     {"Sphinganine 1-phosphate [ C18 H40 N O5 P, db=61.19, overall=30.59, \
KEGG ID=C01120, CAS ID=19794-97-9 ]", "19794-97-9"}}, 
   {598.4292, 12.9028635, "Meta"} -> {{67653, 411829, 393130}, {"", ""}}, 
   {914.5791, 12.90653, "Meta"} -> {{28434, 32078, 27480}, {"", ""}}, 
   {909.6228, 12.903775, "Meta"} -> {{28404, 33643, 30290}, {"", ""}}, 
   {262.1504, 12.906483, "Meta"} -> {{22700, 42293, 1}, {"", ""}}, 
   {1613.9202, 12.9604435, "Meta"} -> {{75113, 170597, 1}, {"", ""}}, 
   {519.8025, 12.93093, "Meta"} -> {{1, 43701, 78594}, {"", ""}}, 
   {982.6032, 12.922208, "Meta"} -> {{42351, 41919, 24600}, {"", ""}}, 
   {1024.6497, 12.9421835, "Meta"} -> {{337851, 267135, 138750}, {"", ""}}, 
   {1148.6115, 12.963801, "Meta"} -> {{61012, 51529, 35263}, {"", ""}}, 
   {507.3326, 12.98204, "Meta"} -> {{132445, 96137, 99156}, {"", ""}}, 
   {1559.8555, 12.970627, "Meta"} -> {{1, 22633, 23606}, {"", ""}}, 
   {1042.6005, 12.993199, "Meta"} -> {{150816, 147246, 133902}, {"", ""}}, 
   {1037.118, 13.003001, "Meta"} -> {{18721, 39261, 1}, {"", ""}}, 
   {427.3661, 13.001041, "Meta"} -> {{326339, 242494, 260770}, 
     {"Stearoylcarnitine [ C25 H49 N O4, db=99.56, overall=49.78, HMP \
ID=HMDB00848, KEGG ID= ]", ""}}, {1065.1241, 13.043728, "Meta"} -> 
    {{174945, 165637, 249545}, {"", ""}}, {3153.9402, 13.013799, "Meta"} -> 
    {{132149, 1, 176771}, {"", ""}}, {1062.6643, 13.043032, "Meta"} -> 
    {{3.44*^7, 2.86*^7, 1.87*^7}, {"", ""}}, 
   {1691.9418, 13.075117, "Meta"} -> {{48733, 1, 31906}, {"", ""}}, 
   {1124.6125, 13.074121, "Meta"} -> {{387566, 348383, 414305}, {"", ""}}, 
   {840.5426, 13.075176, "Meta"} -> {{139399, 158321, 169854}, {"", ""}}, 
   {1610.915, 13.078408, "Meta"} -> {{109148, 184794, 1}, {"", ""}}, 
   {183.0655, 13.115752, "Meta"} -> {{163181, 163327, 106530}, {"", ""}}, 
   {2538.609, 13.147432, "Meta"} -> {{138733, 61548, 57302}, {"", ""}}, 
   {2562.6084, 13.136644, "Meta"} -> {{132784, 141341, 140354}, {"", ""}}, 
   {545.2796, 13.128334, "Meta"} -> {{31206, 28599, 27680}, {"", ""}}, 
   {1553.9612, 13.132172, "Meta"} -> {{100685, 142806, 153604}, {"", ""}}, 
   {569.3479, 13.150904, "Meta"} -> {{1510609, 1145311, 958226}, {"", ""}}, 
   {1354.8588, 13.150917, "Meta"} -> {{38009, 26891, 25570}, {"", ""}}, 
   {1645.9559, 13.165126, "Meta"} -> {{77758, 83496, 1}, {"", ""}}, 
   {559.2929, 13.138584, "Meta"} -> {{48359, 1, 1}, {"", ""}}, 
   {384.2382, 13.160249, "Meta"} -> {{25973, 24181, 34268}, {"", ""}}, 
   {883.525, 13.1601515, "Meta"} -> {{100428, 73282, 51402}, {"", ""}}, 
   {319.2722, 13.161035, "Meta"} -> {{396653, 241595, 331714}, {"", ""}}, 
   {662.3214, 13.161371, "Meta"} -> {{24908, 19047, 26243}, {"", ""}}, 
   {643.322, 13.174154, "Meta"} -> {{28348, 34974, 16758}, {"", ""}}, 
   {583.2961, 13.172579, "Meta"} -> {{153367, 149360, 134710}, {"", ""}}, 
   {1505.898, 13.17625, "Meta"} -> {{27196, 23787, 23784}, {"", ""}}, 
   {970.6001, 13.182221, "Meta"} -> {{325634, 399863, 145776}, {"", ""}}, 
   {3039.9446, 13.20112, "Meta"} -> {{42095, 52515, 34781}, {"", ""}}, 
   {2967.8972, 13.195209, "Meta"} -> {{36871, 37747, 34804}, {"", ""}}, 
   {2498.639, 13.222151, "Meta"} -> {{121343, 480371, 165488}, {"", ""}}, 
   {1512.0118, 13.256168, "Meta"} -> {{346575, 267725, 258961}, {"", ""}}, 
   {788.5499, 13.282076, "Meta"} -> {{1, 50579, 52055}, {"", ""}}, 
   {1557.9952, 13.283399, "Meta"} -> {{422205, 1, 319026}, {"", ""}}, 
   {2664.6548, 13.3012495, "Meta"} -> {{346130, 298243, 189128}, {"", ""}}, 
   {1558.4962, 13.295667, "Meta"} -> {{65146, 63048, 64581}, {"", ""}}, 
   {1152.6416, 13.311076, "Meta"} -> {{74610, 60769, 65888}, {"", ""}}, 
   {861.5413, 13.332082, "Meta"} -> {{23641, 24742, 29523}, {"", ""}}, 
   {400.2826, 13.33677, "Meta"} -> {{31264, 23487, 29468}, 
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   {920.6287, 13.335076, "Meta"} -> {{292053, 346662, 46029}, {"", ""}}, 
   {426.2297, 13.336428, "Meta"} -> {{22021, 18459, 19010}, 
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    {{258027, 239420, 248864}, {"", ""}}, {669.3311, 13.519043, "Meta"} -> 
    {{19821, 21281, 27297}, {"", ""}}, {956.6267, 13.53476, "Meta"} -> 
    {{563931, 564734, 518924}, {"", ""}}, {390.1793, 13.5351515, "Meta"} -> 
    {{44407, 46794, 41672}, {"", ""}}, {424.259, 13.54431, "Meta"} -> 
    {{178950, 104056, 1}, {"1-heptadecanoyl-sn-glycerol 3-phosphate [ C20 H41 \
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   {244.2192, 13.546301, "Meta"} -> {{45552, 38514, 37016}, {"", ""}}, 
   {1002.7006, 13.568126, "Meta"} -> {{511688, 399935, 479356}, {"", ""}}, 
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   {1056.7117, 13.578376, "Meta"} -> {{207267, 171892, 120498}, {"", ""}}, 
   {797.5224, 13.576999, "Meta"} -> {{143630, 220697, 124084}, {"", ""}}, 
   {1127.7758, 13.584821, "Meta"} -> {{291971, 515886, 553664}, {"", ""}}, 
   {650.3126, 13.582882, "Meta"} -> {{37757, 42652, 38073}, {"", ""}}, 
   {1028.7163, 13.588923, "Meta"} -> {{751228, 808697, 357752}, {"", ""}}, 
   {645.3362, 13.599116, "Meta"} -> {{70201, 74986, 50916}, {"", ""}}, 
   {1188.8286, 13.598631, "Meta"} -> {{135054, 144078, 161733}, {"", ""}}, 
   {889.5718, 13.618206, "Meta"} -> {{39803, 33601, 15122}, {"", ""}}, 
   {330.2768, 13.61125, "Meta"} -> {{4442656, 3212830, 3175556}, 
     {"1-hexadecanoyl-sn-glycerol [ C19 H38 O4, db=72.01, overall=36.01, KEGG \
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    {{11434, 16493, 15925}, 
     {"Thr Met Arg [ C15 H30 N6 O5 S, db=36.71, overall=18.35 ]", ""}}, 
   {370.2482, 13.64018, "Meta"} -> {{114044, 110786, 111951}, 
     {"(20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid [ C24 H34 O3, \
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   {404.2562, 13.6432905, "Meta"} -> {{39798, 30388, 39582}, 
     {"3alpha-Hydroxy-1,7-dioxo-5beta-cholan-24-oic Acid [ C24 H36 O5, \
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   {286.2291, 13.665809, "Meta"} -> {{39458, 29375, 32562}, 
     {"11-cis-Retinol [ C20 H30 O, db=65.17, overall=32.58, Lipid \
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    {{126763, 68190, 29900}, {"", ""}}, {545.8475, 13.691209, "Meta"} -> 
    {{1, 22152, 20233}, {"", ""}}, {1068.7097, 13.687207, "Meta"} -> 
    {{426925, 343221, 1}, {"", ""}}, {325.2975, 13.681, "Meta"} -> 
    {{46574, 51151, 1}, {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, \
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   {701.5288, 13.692271, "Meta"} -> {{100572, 99591, 112987}, {"", ""}}, 
   {1372.908, 13.695891, "Meta"} -> {{121773, 100441, 92554}, {"", ""}}, 
   {1523.95, 13.699626, "Meta"} -> {{48637, 42342, 43693}, {"", ""}}, 
   {1004.6844, 13.699296, "Meta"} -> {{588672, 604360, 1}, {"", ""}}, 
   {1000.5864, 13.70054, "Meta"} -> {{20976, 21385, 22558}, {"", ""}}, 
   {410.2824, 13.69748, "Meta"} -> {{157504, 27217, 29294}, 
     {"24,25-epoxy-1alpha-hydroxy-22,22,23,23-tetradehydrovitamin D3 / \
24,25-epoxy-1alpha-hydroxy-22,22,23, [ C27 H38 O3, db=51.02, overall=25.51, \
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    {{1, 60901, 1}, {"", ""}}, {375.3339, 13.70792, "Meta"} -> 
    {{252311, 256843, 308510}, {"", ""}}, {452.2117, 13.705769, "Meta"} -> 
    {{59744, 45802, 36640}, {"2H-Indol-2-one, \
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      "106916-15-8"}}, {867.6142, 13.707126, "Meta"} -> 
    {{55456, 52479, 56042}, {"", ""}}, {1343.0792, 13.708042, "Meta"} -> 
    {{72019, 40833, 38905}, {"", ""}}, {1028.7784, 13.708222, "Meta"} -> 
    {{632543, 420570, 409863}, {"TG(22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,\
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   {142.0626, 13.712159, "Meta"} -> {{1, 38543, 40440}, 
     {"7-hydroxy-5-heptynoic acid [ C7 H10 O3, db=77.60, overall=38.80, Lipid \
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    {{322739, 227813, 166894}, {"", ""}}, {948.6602, 13.717423, "Meta"} -> 
    {{743770, 860930, 625494}, {"", ""}}, {906.56, 13.726791, "Meta"} -> 
    {{99001, 59122, 32689}, {"", ""}}, {909.5629, 13.730292, "Meta"} -> 
    {{75004, 53121, 40044}, {"", ""}}, {1036.7156, 13.737922, "Meta"} -> 
    {{845711, 244377, 1}, {"", ""}}, {1097.7646, 13.7401, "Meta"} -> 
    {{445885, 485919, 844589}, {"", ""}}, {1570.0927, 13.769002, "Meta"} -> 
    {{1364032, 2478293, 1}, {"", ""}}, {1215.6873, 13.76275, "Meta"} -> 
    {{52395, 45368, 34398}, {"", ""}}, {605.3553, 13.761167, "Meta"} -> 
    {{138242, 131578, 88214}, {"", ""}}, {1614.0557, 13.773646, "Meta"} -> 
    {{393975, 381099, 361332}, {"", ""}}, {2654.766, 13.775891, "Meta"} -> 
    {{1991331, 1856472, 1}, {"", ""}}, {2146.3713, 13.775643, "Meta"} -> 
    {{991061, 1, 678914}, {"", ""}}, {1317.8951, 13.782828, "Meta"} -> 
    {{102924, 428922, 184022}, {"", ""}}, {486.2722, 13.799001, "Meta"} -> 
    {{38213, 38339, 70454}, {"", ""}}, {1493.9999, 13.813615, "Meta"} -> 
    {{120082, 34498, 53486}, {"", ""}}, {1411.0074, 13.822881, "Meta"} -> 
    {{262467, 235077, 194043}, {"", ""}}, {364.3083, 13.814071, "Meta"} -> 
    {{1, 12494, 40169}, {"", ""}}, {246.2344, 13.829058, "Meta"} -> 
    {{22892, 23534, 31977}, {"Dodecylbenzene [ C18 H30, db=83.32, \
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   {464.3502, 13.801808, "Meta"} -> {{1, 1, 40698}, 
     {"Trihydroxycoprostanoic acid [ C28 H48 O5, db=58.21, overall=29.10, HMP \
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    {{135427, 108636, 75769}, {"", ""}}, {1692.0865, 13.839601, "Meta"} -> 
    {{54082, 34917, 43150}, {"", ""}}, {615.5204, 13.8424425, "Meta"} -> 
    {{118095, 61947, 131791}, {"", ""}}, {286.2509, 13.846881, "Meta"} -> 
    {{163457, 659708, 116940}, {"2-hydroxy-heptadecanoic acid [ C17 H34 O3, \
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   {444.2414, 13.852252, "Meta"} -> {{44874, 20643, 18747}, {"", ""}}, 
   {696.2766, 13.87254, "Meta"} -> {{1, 64239, 61356}, {"", ""}}, 
   {332.1373, 13.873767, "Meta"} -> {{50566, 54730, 44898}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=37.37, \
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   {553.2424, 13.875352, "Meta"} -> {{167338, 167889, 149937}, {"", ""}}, 
   {940.4012, 13.875486, "Meta"} -> {{110218, 121491, 83034}, {"", ""}}, 
   {613.7682, 13.876518, "Meta"} -> {{56541, 70867, 1}, 
     {"Diatrizoate [ C11 H9 I3 N2 O4, db=75.97, overall=37.98, KEGG \
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    {{109294, 129934, 99629}, {"", ""}}, {1178.4764, 13.877108, "Meta"} -> 
    {{1, 62920, 28904}, {"", ""}}, {1148.4653, 13.877125, "Meta"} -> 
    {{31757, 40486, 25846}, {"", ""}}, {1210.502, 13.87775, "Meta"} -> 
    {{70705, 70550, 49383}, {"", ""}}, {1196.5201, 13.877587, "Meta"} -> 
    {{315397, 359741, 226776}, {"", ""}}, {1179.6492, 13.879959, "Meta"} -> 
    {{62541, 101243, 101152}, {"", ""}}, {1139.6177, 13.881881, "Meta"} -> 
    {{56576, 54576, 44603}, {"", ""}}, {763.4538, 13.893353, "Meta"} -> 
    {{62875, 53170, 46160}, {"", ""}}, {874.6232, 13.896, "Meta"} -> 
    {{1, 378733, 41306}, {"", ""}}, {1026.6364, 13.899459, "Meta"} -> 
    {{60701, 49510, 48201}, {"", ""}}, {988.6857, 13.899965, "Meta"} -> 
    {{165983, 223054, 295500}, {"", ""}}, {1182.8066, 13.906625, "Meta"} -> 
    {{357883, 30617, 1}, {"", ""}}, {1155.8073, 13.909867, "Meta"} -> 
    {{893587, 983539, 1055714}, {"", ""}}, {1133.7634, 13.909791, "Meta"} -> 
    {{311613, 332753, 1}, {"", ""}}, {1204.7888, 13.910968, "Meta"} -> 
    {{1, 419866, 220457}, {"", ""}}, {412.319, 13.933791, "Meta"} -> 
    {{84045, 1, 49041}, {"", ""}}, {429.3453, 13.92668, "Meta"} -> 
    {{204720, 125653, 122341}, {"", ""}}, {457.2311, 13.933417, "Meta"} -> 
    {{55580, 33758, 21622}, {"", ""}}, {625.5645, 13.932321, "Meta"} -> 
    {{307001, 171565, 184213}, {"1,3-di-(9Z-octadecenoyl)-2-hydroxy-sn-glycer\
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   {392.1986, 13.933346, "Meta"} -> {{197791, 57506, 62037}, 
     {"Betamethasone [ C22 H29 F O5, db=56.48, overall=28.24, KEGG ID=C06848, \
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    {{344464, 356126, 373213}, {"", ""}}, {905.6038, 13.9305, "Meta"} -> 
    {{113022, 63128, 54509}, {"", ""}}, {326.2818, 13.934208, "Meta"} -> 
    {{225797, 140087, 172885}, {"14R-hydroxy-11Z-eicosenoic acid [ C20 H38 \
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   {1512.9745, 13.943259, "Meta"} -> {{203552, 226779, 1}, {"", ""}}, 
   {404.3248, 13.940714, "Meta"} -> {{248878, 164191, 1}, {"", ""}}, 
   {361.3192, 13.941904, "Meta"} -> {{973252, 572294, 837034}, {"", ""}}, 
   {638.4799, 13.954207, "Meta"} -> {{72495, 40708, 60716}, {"", ""}}, 
   {894.7203, 13.9559555, "Meta"} -> {{61470, 42916, 30814}, {"", ""}}, 
   {649.4322, 13.963917, "Meta"} -> {{198600, 178187, 98298}, {"", ""}}, 
   {817.5507, 13.970483, "Meta"} -> {{172064, 25582, 119551}, {"", ""}}, 
   {696.3306, 13.97226, "Meta"} -> {{30493, 22909, 12797}, {"", ""}}, 
   {368.3293, 13.973274, "Meta"} -> {{1, 23700, 1}, 
     {"2-oxo-tricosanoic acid [ C23 H44 O3, db=83.10, overall=41.55, Lipid \
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    {{98157, 115786, 39251}, {"", ""}}, {327.3138, 14.019958, "Meta"} -> 
    {{59259, 52043, 387086}, {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, \
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   {432.3443, 14.042667, "Meta"} -> {{5937529, 3190243, 3060152}, {"", ""}}, 
   {1130.752, 14.0565195, "Meta"} -> {{1, 329804, 1}, {"", ""}}, 
   {1081.7697, 14.056306, "Meta"} -> {{336409, 338058, 396799}, {"", ""}}, 
   {1301.9012, 14.060631, "Meta"} -> {{1, 968362, 926965}, {"", ""}}, 
   {1345.9271, 14.061594, "Meta"} -> {{260723, 879490, 891974}, {"", ""}}, 
   {547.3318, 14.088111, "Meta"} -> {{39511, 44731, 46543}, {"", ""}}, 
   {1416.8945, 14.065963, "Meta"} -> {{266409, 319832, 1}, {"", ""}}, 
   {1478.0059, 14.069033, "Meta"} -> {{44443, 622690, 125786}, {"", ""}}, 
   {1539.0583, 14.065129, "Meta"} -> {{290262, 283330, 400517}, {"", ""}}, 
   {388.3188, 14.077641, "Meta"} -> {{782554, 74511, 293313}, {"", ""}}, 
   {1671.1366, 14.077626, "Meta"} -> {{197720, 208250, 268187}, {"", ""}}, 
   {1759.1885, 14.088881, "Meta"} -> {{119231, 121200, 159148}, {"", ""}}, 
   {362.2226, 14.091807, "Meta"} -> {{45069, 56364, 67544}, {"", ""}}, 
   {406.2871, 14.089751, "Meta"} -> {{343273, 250011, 338005}, {"", ""}}, 
   {442.3058, 14.054035, "Meta"} -> {{84715, 99089, 1}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
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    {{307800, 400059, 372025}, {"Progesterone [ C21 H30 O2, db=66.34, \
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   {415.3467, 14.121041, "Meta"} -> {{1, 370558, 456177}, 
     {"tomatidine [ C27 H45 N O2, db=66.95, overall=33.47, Lipid \
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    {{49859, 37597, 1}, {"", ""}}, {1107.9249, 14.142357, "Meta"} -> 
    {{83770, 56709, 76044}, {"", ""}}, {889.6583, 14.144666, "Meta"} -> 
    {{205191, 142422, 99464}, {"", ""}}, {784.6361, 14.144617, "Meta"} -> 
    {{239548, 1, 106445}, {"", ""}}, {706.5926, 14.145374, "Meta"} -> 
    {{313892, 191056, 165550}, {"", ""}}, {1120.8586, 14.145665, "Meta"} -> 
    {{83785, 63487, 55577}, {"", ""}}, {535.496, 14.138332, "Meta"} -> 
    {{18490, 24162, 16993}, {"", ""}}, {798.6034, 14.14996, "Meta"} -> 
    {{64193, 48769, 46299}, {"GPCho(18:0/19:3(9Z,12Z,15Z)[U]) [ C45 H85 N O8 \
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   {248.2501, 14.149543, "Meta"} -> {{55825, 51734, 58765}, {"", ""}}, 
   {467.2466, 14.092066, "Meta"} -> {{1, 42840, 25331}, 
     {"Penbutolol glucuronide [ C24 H37 N O8, db=37.20, overall=18.60, KEGG \
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    {{182359, 101726, 99333}, {"", ""}}, {1130.8466, 14.151208, "Meta"} -> 
    {{145917, 96953, 91457}, {"", ""}}, {471.2462, 14.144727, "Meta"} -> 
    {{306812, 27682, 165630}, {"", ""}}, {511.4599, 14.152822, "Meta"} -> 
    {{224627, 169077, 142471}, {"", ""}}, {474.2492, 14.152304, "Meta"} -> 
    {{280325, 1, 182547}, {"", ""}}, {431.361, 14.173369, "Meta"} -> 
    {{164534, 127078, 125679}, {"", ""}}, {1541.0024, 14.186885, "Meta"} -> 
    {{38812, 38121, 28436}, {"", ""}}, {537.4757, 14.195916, "Meta"} -> 
    {{225749, 169043, 131461}, {"", ""}}, {1949.3077, 14.181482, "Meta"} -> 
    {{38485, 44538, 47613}, {"", ""}}, {1910.2386, 14.20512, "Meta"} -> 
    {{76867, 80598, 1}, {"", ""}}, {661.5622, 14.189167, "Meta"} -> 
    {{784273, 513904, 1}, {"", ""}}, {342.3608, 14.2178755, "Meta"} -> 
    {{36494, 38517, 53077}, {"", ""}}, {381.2554, 14.218654, "Meta"} -> 
    {{29478, 28522, 1}, {"", ""}}, {592.5907, 14.224184, "Meta"} -> 
    {{70060, 205055, 145681}, {"", ""}}, {354.3608, 14.2303095, "Meta"} -> 
    {{33187, 44688, 94577}, {"", ""}}, {919.6819, 14.234096, "Meta"} -> 
    {{33258, 31403, 33856}, {"", ""}}, {551.3956, 14.253501, "Meta"} -> 
    {{832175, 708479, 499505}, {"", ""}}, {342.255, 14.27097, "Meta"} -> 
    {{1.5*^7, 2438814, 1.46*^7}, {"", ""}}, {1114.7946, 14.253259, "Meta"} -> 
    {{67494, 1, 1}, {"", ""}}, {174.14, 14.273462, "Meta"} -> 
    {{32346, 26634, 39060}, {"", ""}}, {540.4366, 14.265166, "Meta"} -> 
    {{1, 30356, 1}, {"", ""}}, {537.5111, 14.26788, "Meta"} -> 
    {{72820, 85060, 65619}, {"N-Palmitoylsphingosine [ C34 H67 N O3, \
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   {120.0925, 14.28412, "Meta"} -> {{43912, 47620, 48943}, {"", ""}}, 
   {493.3546, 14.284119, "Meta"} -> {{196769, 174357, 129197}, {"", ""}}, 
   {462.2603, 14.291335, "Meta"} -> {{89535, 79681, 65684}, 
     {"Retinyl glucuronide [ C26 H38 O7, db=72.43, overall=36.21, KEGG ID=, \
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    {{126413, 102341, 1}, {"", ""}}, {1929.2153, 14.301193, "Meta"} -> 
    {{59613, 65796, 1}, {"", ""}}, {1919.2993, 14.301039, "Meta"} -> 
    {{42630, 58785, 73209}, {"", ""}}, {678.0978, 14.303559, "Meta"} -> 
    {{1, 26945, 17503}, {"", ""}}, {660.1179, 14.307345, "Meta"} -> 
    {{21843, 27625, 35786}, {"", ""}}, {616.0923, 14.309033, "Meta"} -> 
    {{1, 38120, 58756}, {"", ""}}, {1968.2823, 14.29344, "Meta"} -> 
    {{65361, 62511, 1}, {"", ""}}, {557.4655, 14.3256235, "Meta"} -> 
    {{55887, 64800, 115899}, {"", ""}}, {210.1611, 14.326935, "Meta"} -> 
    {{35006, 30560, 28709}, {"3E,5E-tridecadienoic acid [ C13 H22 O2, \
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   {280.2406, 14.322849, "Meta"} -> {{108990, 135626, 150985}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=82.66, overall=41.33, \
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    {{228701, 281577, 352558}, {"", ""}}, {1224.7938, 14.333634, "Meta"} -> 
    {{108060, 125954, 91097}, {"", ""}}, {1158.784, 14.347498, "Meta"} -> 
    {{50267, 38296, 30507}, {"", ""}}, {412.258, 14.357724, "Meta"} -> 
    {{8825677, 8451044, 7582601}, {"", ""}}, {224.1775, 14.381326, "Meta"} -> 
    {{116214, 136784, 140463}, {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, \
db=80.34, overall=40.17, Lipid ID=, KEGG ID= ]", ""}}, 
   {540.3789, 14.368897, "Meta"} -> {{571022, 1, 1}, {"", ""}}, 
   {266.2606, 14.390668, "Meta"} -> {{53435, 54092, 46957}, 
     {"3E,13Z-octadecadien-1-ol [ C18 H34 O, db=80.14, overall=40.07, Lipid \
ID=, KEGG ID= ]", ""}}, {1987.2571, 14.389832, "Meta"} -> 
    {{54182, 45797, 39372}, {"", ""}}, {644.4889, 14.399479, "Meta"} -> 
    {{119430, 135723, 96791}, {"", ""}}, {782.5681, 14.399292, "Meta"} -> 
    {{1317748, 1080948, 938864}, {"GPCho(18:1(9Z)/18:3(9Z,12Z,15Z)[U]) [ C44 \
H81 N O8 P, db=94.15, overall=47.08, Lipid ID=LMGP01010899, KEGG ID= ]", 
      ""}}, {1982.2996, 14.399588, "Meta"} -> {{67976, 70609, 71997}, 
     {"", ""}}, {1977.3427, 14.395542, "Meta"} -> 
    {{1, 67452, 64814}, {"", ""}}, {415.3658, 14.408801, "Meta"} -> 
    {{275386, 325490, 477214}, {"", ""}}, {1894.2448, 14.404812, "Meta"} -> 
    {{127435, 120280, 110668}, {"", ""}}, {539.2676, 14.406583, "Meta"} -> 
    {{43880, 32642, 23644}, {"", ""}}, {258.1832, 14.399001, "Meta"} -> 
    {{101650, 80762, 82658}, {"2-methyl-tridecanedioic acid [ C14 H26 O4, \
db=63.45, overall=31.73, Lipid ID=, KEGG ID= ]", ""}}, 
   {1674.1147, 14.420113, "Meta"} -> {{258491, 249262, 1}, {"", ""}}, 
   {1669.1595, 14.419, "Meta"} -> {{188160, 216864, 1}, {"", ""}}, 
   {607.7394, 14.417484, "Meta"} -> {{24330, 26358, 26512}, {"", ""}}, 
   {690.5302, 14.423751, "Meta"} -> {{92132, 67896, 55001}, {"", ""}}, 
   {410.3766, 14.434156, "Meta"} -> {{99972, 65320, 21296}, {"", ""}}, 
   {1458.941, 14.442542, "Meta"} -> {{1, 138162, 1}, {"", ""}}, 
   {1360.9753, 14.447921, "Meta"} -> {{142746, 199491, 199320}, {"", ""}}, 
   {415.4019, 14.450322, "Meta"} -> {{20764, 21783, 26413}, {"", ""}}, 
   {1326.8624, 14.456611, "Meta"} -> {{89541, 87405, 76616}, {"", ""}}, 
   {433.3763, 14.454422, "Meta"} -> {{120842, 84787, 61789}, 
     {"(+/-)N-(2-fluro-ethyl)-2,16,16-trimethyl-5Z,8Z,11Z,14Z-tricosatetraeno\
yl amine [ C28 H48 F N O, db=67.24, overall=33.62, Lipid ID=, KEGG ID= ]", 
      ""}}, {450.3702, 14.42675, "Meta"} -> {{115997, 302986, 1}, 
     {"3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-one [ C28 H50 O4, \
db=86.51, overall=43.25, Lipid ID=, KEGG ID= ]", ""}}, 
   {998.7598, 14.480124, "Meta"} -> {{28051, 31153, 31474}, {"", ""}}, 
   {568.4706, 14.499832, "Meta"} -> {{119617, 594878, 485114}, {"", ""}}, 
   {640.1112, 14.502998, "Meta"} -> {{1, 37109, 37059}, {"", ""}}, 
   {537.4164, 14.511375, "Meta"} -> {{767941, 670457, 609058}, {"", ""}}, 
   {1859.2772, 14.508418, "Meta"} -> {{79543, 1, 1}, {"", ""}}, 
   {820.8858, 14.511085, "Meta"} -> {{1, 1, 1}, {"Iohexol [ C19 H26 I3 N3 O9, \
db=28.84, overall=14.42, KEGG ID=, CAS ID=66108-95-0 ]", "66108-95-0"}}, 
   {403.3657, 14.511079, "Meta"} -> {{256908, 181671, 172429}, {"", ""}}, 
   {484.3078, 14.513251, "Meta"} -> {{57862, 28568, 22619}, {"", ""}}, 
   {556.449, 14.513818, "Meta"} -> {{123285, 121052, 123321}, {"", ""}}, 
   {1727.2, 14.51852, "Meta"} -> {{129928, 147654, 1}, {"", ""}}, 
   {371.3507, 14.486881, "Meta"} -> {{44292, 32794, 38527}, {"", ""}}, 
   {1428.9324, 14.556345, "Meta"} -> {{43040, 37276, 32025}, {"", ""}}, 
   {246.2343, 14.558037, "Meta"} -> {{30034, 34491, 35766}, 
     {"Dodecylbenzene [ C18 H30, db=85.43, overall=42.71, HMP ID=HMDB03542, \
KEGG ID= ]", ""}}, {704.547, 14.558501, "Meta"} -> 
    {{44438, 44244, 36497}, {"", ""}}, {353.239, 14.559209, "Meta"} -> 
    {{60726, 52119, 47910}, {"", ""}}, {320.307, 14.586639, "Meta"} -> 
    {{32386, 39951, 48632}, {"", ""}}, {674.1341, 14.583749, "Meta"} -> 
    {{1, 37063, 44734}, {"", ""}}, {1922.2782, 14.597296, "Meta"} -> 
    {{65427, 72655, 49416}, {"", ""}}, {648.6536, 14.599898, "Meta"} -> 
    {{533511, 437147, 323801}, {"", ""}}, {721.5625, 14.639969, "Meta"} -> 
    {{122748, 111069, 153718}, {"", ""}}, {796.2077, 14.596042, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {356.3766, 14.611617, "Meta"} -> 
    {{182495, 361605, 166446}, {"", ""}}, {729.6274, 14.614373, "Meta"} -> 
    {{48760, 446779, 304719}, {"", ""}}, {616.4684, 14.621041, "Meta"} -> 
    {{1, 5405808, 5050536}, {"", ""}}, {292.1672, 14.630277, "Meta"} -> 
    {{139688, 75947, 96683}, {"", ""}}, {783.0571, 14.639333, "Meta"} -> 
    {{55354, 59154, 1}, {"", ""}}, {516.2764, 14.643195, "Meta"} -> 
    {{52778, 23174, 37255}, {"", ""}}, {126.1405, 14.642334, "Meta"} -> 
    {{80956, 37195, 61012}, {"", ""}}, {449.3507, 14.649598, "Meta"} -> 
    {{246343, 149218, 153037}, {"", ""}}, {714.5294, 14.645124, "Meta"} -> 
    {{73458, 92857, 74026}, {"1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-(4Z,7\
Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol [ C47 H70 O5, db=26.90, \
overall=13.45, KEGG ID=, CAS ID= ]", ""}}, {148.0158, 14.662999, "Meta"} -> 
    {{215427, 97868, 1}, {"", ""}}, {1975.3611, 14.680179, "Meta"} -> 
    {{34929, 45187, 1}, {"", ""}}, {1304.9498, 14.676501, "Meta"} -> 
    {{160075, 123421, 84446}, {"", ""}}, {1288.9882, 14.677895, "Meta"} -> 
    {{1, 389163, 307201}, {"", ""}}, {314.2456, 14.663063, "Meta"} -> 
    {{61244, 177384, 145051}, {"Octadecanedioic acid [ C18 H34 O4, db=84.30, \
overall=42.15, HMP ID=HMDB00782, KEGG ID= ]", ""}}, 
   {1887.3066, 14.691118, "Meta"} -> {{38315, 1, 36985}, {"", ""}}, 
   {718.5628, 14.687387, "Meta"} -> {{268123, 325192, 227660}, {"", ""}}, 
   {623.4396, 14.6919565, "Meta"} -> {{65479, 56520, 49039}, {"", ""}}, 
   {645.6059, 14.685749, "Meta"} -> {{34094, 41078, 38570}, {"", ""}}, 
   {628.3971, 14.698038, "Meta"} -> {{47517, 54887, 41111}, {"", ""}}, 
   {1843.2805, 14.697259, "Meta"} -> {{42135, 45558, 1}, {"", ""}}, 
   {648.5186, 14.694042, "Meta"} -> {{135708, 137894, 130859}, {"", ""}}, 
   {408.3972, 14.705543, "Meta"} -> {{30498, 25724, 20763}, 
     {"2,4-dimethyl-2-pentacosenoic acid [ C27 H52 O2, db=74.43, \
overall=37.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {1226.7506, 14.711852, "Meta"} -> {{231183, 219104, 189668}, 
     {"Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=97.82, \
overall=48.91, HMP ID=HMDB04902, KEGG ID= ]", ""}}, 
   {645.4183, 14.717676, "Meta"} -> {{139509, 113453, 125392}, {"", ""}}, 
   {698.468, 14.730161, "Meta"} -> {{57970, 41921, 48994}, {"", ""}}, 
   {758.5008, 14.730802, "Meta"} -> {{70361, 62321, 45376}, {"", ""}}, 
   {337.2991, 14.743073, "Meta"} -> {{430313, 338477, 1}, {"", ""}}, 
   {567.4826, 14.741691, "Meta"} -> {{57779, 72969, 44972}, {"", ""}}, 
   {335.2823, 14.734916, "Meta"} -> {{375339, 428361, 294037}, {"", ""}}, 
   {224.1774, 14.743076, "Meta"} -> {{34861, 42759, 39274}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=58.15, overall=29.08, \
Lipid ID=, KEGG ID= ]", ""}}, {311.2823, 14.741, "Meta"} -> 
    {{416150, 513446, 382901}, {"", ""}}, {410.3415, 14.759458, "Meta"} -> 
    {{1074480, 890500, 13369}, {"", ""}}, {578.4528, 14.761768, "Meta"} -> 
    {{75844, 62936, 71636}, {"", ""}}, {821.8807, 14.768291, "Meta"} -> 
    {{1, 14171, 17858}, {"", ""}}, {454.306, 14.7669325, "Meta"} -> 
    {{264912, 171334, 1}, {"26,26,26-trifluoro-25-hydroxyvitamin D3 / \
26,26,26-trifluoro-25-hydroxycholecalciferol [ C27 H41 F3 O2, db=96.49, \
overall=48.25, Lipid ID=LMST03020131, KEGG ID= ]", ""}}, 
   {754.4952, 14.762309, "Meta"} -> {{19991, 16397, 39357}, {"", ""}}, 
   {544.4848, 14.776436, "Meta"} -> {{46842, 49716, 1}, {"", ""}}, 
   {1023.6713, 14.774457, "Meta"} -> {{107163, 98362, 81561}, 
     {"Trihexosylceramide (d18:1/16:0) [ C52 H97 N O18, db=90.02, \
overall=45.01, HMP ID=HMDB04879, KEGG ID= ]", ""}}, 
   {278.1698, 14.775679, "Meta"} -> {{110651, 104623, 52401}, {"", ""}}, 
   {647.6214, 14.772876, "Meta"} -> {{39782, 41994, 41653}, 
     {"Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, db=98.12, overall=49.06, \
HMP ID=HMDB04953, KEGG ID= ]", ""}}, {434.3759, 14.783721, "Meta"} -> 
    {{125525, 97634, 81519}, {"6-deoxoteasterone [ C28 H50 O3, db=63.15, \
overall=31.57, Lipid ID=LMST01030120, KEGG ID= ]", ""}}, 
   {724.4845, 14.780425, "Meta"} -> {{1, 19019, 21273}, {"", ""}}, 
   {406.3782, 14.821377, "Meta"} -> {{12776, 11173, 24519}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=55.72, \
overall=27.86, Lipid ID=, KEGG ID= ]", ""}}, {704.5472, 14.802679, "Meta"} -> 
    {{57031, 58341, 61241}, {"", ""}}, {1249.0677, 14.813335, "Meta"} -> 
    {{51087, 1, 48847}, {"", ""}}, {843.4971, 14.847156, "Meta"} -> 
    {{101788, 98682, 109848}, {"", ""}}, {2045.5883, 14.842042, "Meta"} -> 
    {{33526, 108339, 121583}, {"", ""}}, {2720.1182, 14.840377, "Meta"} -> 
    {{128752, 119081, 122079}, {"", ""}}, {2061.5564, 14.8452215, "Meta"} -> 
    {{259149, 240499, 270446}, {"", ""}}, {1239.9836, 14.848166, "Meta"} -> 
    {{60651, 89886, 74479}, {"", ""}}, {1387.0208, 14.848454, "Meta"} -> 
    {{468409, 448783, 593900}, {"", ""}}, {565.4473, 14.858251, "Meta"} -> 
    {{332322, 336090, 375270}, {"", ""}}, {1226.951, 14.852665, "Meta"} -> 
    {{23026, 29187, 1}, {"", ""}}, {1419.0518, 14.88988, "Meta"} -> 
    {{25359, 1, 1}, {"", ""}}, {455.3974, 14.8894205, "Meta"} -> 
    {{382366, 590397, 40416}, {"", ""}}, {483.4287, 14.892069, "Meta"} -> 
    {{1482570, 1143690, 60427}, {"", ""}}, {1375.0894, 14.895823, "Meta"} -> 
    {{902634, 694701, 1006687}, {"", ""}}, {469.413, 14.892142, "Meta"} -> 
    {{3729034, 4592921, 208925}, {"", ""}}, {280.2035, 14.893897, "Meta"} -> 
    {{1204941, 948921, 57729}, 
     {"12S-HHTrE [ C17 H28 O3, db=88.18, overall=44.09, KEGG ID=, CAS ID= ]", 
      ""}}, {2113.588, 14.897228, "Meta"} -> {{99875, 1, 119339}, {"", ""}}, 
   {1292.0153, 14.903293, "Meta"} -> {{204559, 221077, 261985}, {"", ""}}, 
   {2139.604, 14.913654, "Meta"} -> {{337988, 357741, 387699}, {"", ""}}, 
   {1521.0576, 14.912457, "Meta"} -> {{30908, 41098, 57874}, {"", ""}}, 
   {738.4997, 14.919686, "Meta"} -> {{1044812, 1103584, 1251115}, {"", ""}}, 
   {1885.4286, 14.923374, "Meta"} -> {{30213, 32719, 44199}, {"", ""}}, 
   {892.7136, 14.926122, "Meta"} -> {{965805, 916095, 170092}, {"", ""}}, 
   {406.3781, 14.850402, "Meta"} -> {{50472, 43626, 21860}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=63.39, \
overall=31.69, Lipid ID=, KEGG ID= ]", ""}}, {607.4578, 14.934502, "Meta"} -> 
    {{116126, 93904, 70559}, {"", ""}}, {1389.1053, 14.947632, "Meta"} -> 
    {{1022142, 951428, 852546}, {"", ""}}, {1363.0868, 14.951377, "Meta"} -> 
    {{145295, 126589, 112415}, {"", ""}}, {1415.0522, 14.961962, "Meta"} -> 
    {{239059, 223897, 240661}, {"", ""}}, {857.512, 14.964919, "Meta"} -> 
    {{72466, 65758, 63738}, {"", ""}}, {1142.867, 14.976418, "Meta"} -> 
    {{19307, 20500, 21741}, {"", ""}}, {1266.9861, 14.97788, "Meta"} -> 
    {{40816, 44315, 45651}, {"", ""}}, {1154.8688, 14.982498, "Meta"} -> 
    {{39789, 46985, 53395}, {"", ""}}, {390.277, 15.002232, "Meta"} -> 
    {{303568, 335632, 322179}, {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic \
Acid [ C24 H38 O4, db=85.91, overall=42.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {752.5832, 15.019201, "Meta"} -> {{96889, 66109, 76577}, {"", ""}}, 
   {484.3526, 15.004758, "Meta"} -> {{61932, 44826, 63907}, 
     {"(22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimethyl-23,24-tetradehydro-\
20-epivitamin D3 / (22S)-1alph [ C31 H48 O4, db=66.11, overall=33.06, Lipid \
ID=LMST03020487, KEGG ID= ]", ""}}, {367.3811, 15.008845, "Meta"} -> 
    {{48824, 45990, 23564}, {"", ""}}, {677.5002, 15.038733, "Meta"} -> 
    {{347760, 1, 275535}, {"GPEtn(13:0/18:0)[U] [ C36 H72 N O8 P, db=95.91, \
overall=47.95, Lipid ID=LMGP02010240, KEGG ID= ]", ""}}, 
   {1391.1198, 15.0320015, "Meta"} -> {{240841, 253047, 222381}, {"", ""}}, 
   {1454.0837, 15.034749, "Meta"} -> {{76470, 48392, 41997}, {"", ""}}, 
   {1380.0681, 15.047085, "Meta"} -> {{203071, 158912, 134727}, {"", ""}}, 
   {755.4903, 15.05794, "Meta"} -> {{192929, 196358, 189861}, {"", ""}}, 
   {784.5607, 15.058108, "Meta"} -> {{69374, 1, 64517}, {"", ""}}, 
   {758.4878, 15.060915, "Meta"} -> {{560756, 607286, 474508}, {"", ""}}, 
   {818.5122, 15.060144, "Meta"} -> {{253159, 237318, 231982}, {"", ""}}, 
   {737.5, 15.062039, "Meta"} -> {{64982, 45473, 47617}, {"", ""}}, 
   {1283.0142, 15.076242, "Meta"} -> {{68676, 59509, 90688}, {"", ""}}, 
   {2171.6577, 15.092257, "Meta"} -> {{124409, 125684, 106812}, {"", ""}}, 
   {995.0105, 15.10904, "Meta"} -> {{23309, 24825, 1}, {"", ""}}, 
   {488.4462, 15.100375, "Meta"} -> {{12590, 16171, 15013}, {"", ""}}, 
   {1469.0988, 15.108223, "Meta"} -> {{279038, 215220, 198386}, {"", ""}}, 
   {1506.1136, 15.1095, "Meta"} -> {{250183, 190778, 152964}, {"", ""}}, 
   {471.3568, 15.111719, "Meta"} -> {{141454, 70952, 21193}, {"", ""}}, 
   {1322.0612, 15.118584, "Meta"} -> {{39390, 37324, 34338}, {"", ""}}, 
   {828.6716, 15.138119, "Meta"} -> {{97711, 77479, 110919}, {"", ""}}, 
   {593.4785, 15.136201, "Meta"} -> {{457633, 450484, 438841}, {"", ""}}, 
   {697.5053, 15.145536, "Meta"} -> {{85587, 92166, 88355}, 
     {"1-tetrahexanoyl-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolam\
ine [ C39 H72 N O7 P, db=68.26, overall=34.13, Lipid ID=, KEGG ID= ]", ""}}, 
   {803.5472, 15.149806, "Meta"} -> {{2836750, 2240983, 2055728}, {"", ""}}, 
   {619.4939, 15.1440735, "Meta"} -> {{124732, 123982, 120107}, 
     {"CerP(d18:0/16:0) [ C34 H70 N O6 P, db=93.09, overall=46.55, Lipid \
ID=LMSP02050003, KEGG ID= ]", ""}}, {558.4257, 15.139498, "Meta"} -> 
    {{33463, 25268, 27954}, {"", ""}}, {622.4963, 15.142163, "Meta"} -> 
    {{24251, 24979, 24256}, {"", ""}}, {820.6892, 15.14996, "Meta"} -> 
    {{62131, 79722, 92572}, {"", ""}}, {893.5938, 15.154918, "Meta"} -> 
    {{124377, 127059, 134269}, {"", ""}}, {663.5204, 15.159599, "Meta"} -> 
    {{61063, 62160, 57528}, {"", ""}}, {779.5471, 15.188432, "Meta"} -> 
    {{2.45*^7, 2.71*^7, 2.7*^7}, {"", ""}}, {851.5445, 15.182407, "Meta"} -> 
    {{87148, 94639, 119130}, {"", ""}}, {805.5616, 15.247258, "Meta"} -> 
    {{1.01*^7, 1.*^7, 1}, {"Galabiosylceramide (d18:1/12:0) [ C42 H79 N O13, \
db=66.51, overall=33.26, HMP ID=HMDB04831, KEGG ID= ]", ""}}, 
   {1489.1093, 15.274734, "Meta"} -> {{641050, 677173, 726774}, {"", ""}}, 
   {719.5459, 15.309272, "Meta"} -> {{41638, 51956, 57817}, 
     {"GPEtn(20:0/14:0)[U] [ C39 H78 N O8 P, db=86.95, overall=43.48, Lipid \
ID=LMGP02010177, KEGG ID= ]", ""}}, {1571.0496, 15.31023, "Meta"} -> 
    {{138951, 144008, 1}, {"", ""}}, {725.5362, 15.288499, "Meta"} -> 
    {{142066, 153575, 1}, {"", ""}}, {873.5031, 15.313261, "Meta"} -> 
    {{122683, 138432, 160950}, {"", ""}}, {756.6148, 15.312764, "Meta"} -> 
    {{399811, 501464, 551917}, {"", ""}}, {1547.1289, 15.317959, "Meta"} -> 
    {{277448, 301609, 1475086}, {"", ""}}, {1573.1439, 15.344415, "Meta"} -> 
    {{1286624, 1305525, 1}, {"", ""}}, {1549.1458, 15.37693, "Meta"} -> 
    {{3056848, 2973049, 1}, {"", ""}}, {782.6284, 15.348928, "Meta"} -> 
    {{162053, 232858, 222831}, {"", ""}}, {952.5369, 15.360694, "Meta"} -> 
    {{68052, 68523, 74162}, {"", ""}}, {1525.1418, 15.393956, "Meta"} -> 
    {{2600739, 1786552, 1}, {"", ""}}, {1491.1252, 15.387623, "Meta"} -> 
    {{60828, 65992, 1}, {"", ""}}, {775.5518, 15.381926, "Meta"} -> 
    {{183120, 1, 319217}, {"", ""}}, {875.5185, 15.418427, "Meta"} -> 
    {{94036, 120864, 150855}, {"", ""}}, {1595.19, 15.493964, "Meta"} -> 
    {{4694446, 3885352, 1020217}, {"", ""}}, {1579.1923, 15.52975, "Meta"} -> 
    {{746914, 1072953, 1269246}, {"", ""}}, {954.5526, 15.542758, "Meta"} -> 
    {{228588, 1, 302022}, {"", ""}}, {1557.2059, 15.597347, "Meta"} -> 
    {{634923, 384572, 357189}, {"", ""}}, {909.5775, 15.618968, "Meta"} -> 
    {{233797, 136605, 150587}, {"", ""}}, {1573.2028, 15.661559, "Meta"} -> 
    {{1839299, 1001397, 1003185}, {"", ""}}, 
   {1559.2216, 15.669201, "Meta"} -> {{397888, 247290, 249887}, {"", ""}}, 
   {602.5269, 15.669942, "Meta"} -> {{29557, 20409, 20029}, 
     {"1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol [ \
C39 H70 O4, db=63.29, overall=31.64, Lipid ID=, KEGG ID= ]", ""}}, 
   {843.6118, 15.722835, "Meta"} -> {{705453, 1, 1}, {"", ""}}, 
   {834.6468, 15.719202, "Meta"} -> {{49766, 27266, 47170}, {"", ""}}, 
   {621.6059, 15.754334, "Meta"} -> {{26758, 46343, 40518}, 
     {"Ceramide (d18:1/22:0) [ C40 H79 N O3, db=87.19, overall=43.60, HMP \
ID=HMDB04952, KEGG ID= ]", ""}}, {838.6273, 15.792639, "Meta"} -> 
    {{111403, 96150, 80518}, {"GPCho(20:0/20:4(5Z,8Z,11Z,14Z)) [ C48 H89 N O8 \
P, db=55.85, overall=27.93, Lipid ID=LMGP01011023, KEGG ID= ]", ""}}, 
   {656.5704, 15.817416, "Meta"} -> {{151337, 110774, 143617}, {"", ""}}, 
   {582.4434, 15.824362, "Meta"} -> {{28784, 28002, 27144}, 
     {"Spheroidenone [ C41 H58 O2, db=89.48, overall=44.74, Lipid \
ID=LMPR01070121, KEGG ID= ]", ""}}, {604.5427, 15.825538, "Meta"} -> 
    {{40774, 29777, 34262}, {"", ""}}, {639.5801, 15.833317, "Meta"} -> 
    {{82672, 158698, 61950}, {"", ""}}, {635.6218, 15.840301, "Meta"} -> 
    {{70007, 71940, 74752}, {"Tricosanamide [ C41 H81 N O3, db=95.86, \
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   {747.6132, 15.858359, "Meta"} -> {{241098, 265576, 175724}, {"", ""}}, 
   {564.3964, 15.855876, "Meta"} -> {{39622, 55700, 50318}, 
     {"Alloxanthin/ Tetradehydrozeaxanthin / (Cynthiaxanthin)/ \
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    {{1414833, 1188904, 995328}, {"", ""}}, {840.7075, 15.923631, "Meta"} -> 
    {{261991, 274628, 195337}, {"", ""}}, {1018.6208, 15.944415, "Meta"} -> 
    {{120196, 149722, 89610}, {"", ""}}, {815.6404, 15.987547, "Meta"} -> 
    {{898462, 600347, 529517}, {"", ""}}, {619.6265, 15.961481, "Meta"} -> 
    {{90783, 91688, 76442}, {"", ""}}, {828.7082, 15.996313, "Meta"} -> 
    {{462425, 414324, 431105}, {"", ""}}, {624.5694, 16.028141, "Meta"} -> 
    {{3818435, 27466, 296737}, {"1-hexadecanoyl-2-eicosanoyl-sn-glycerol [ \
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   {793.5295, 16.028925, "Meta"} -> {{144574, 56051, 77312}, {"", ""}}, 
   {684.6018, 16.037434, "Meta"} -> {{343996, 197970, 255353}, {"", ""}}, 
   {647.6577, 16.104456, "Meta"} -> {{26469, 31193, 19714}, {"", ""}}, 
   {901.6918, 16.16311, "Meta"} -> {{2059270, 1481687, 1004318}, {"", ""}}, 
   {851.6773, 16.1885, "Meta"} -> {{2910746, 2499628, 2533785}, {"", ""}}, 
   {1046.6519, 16.208208, "Meta"} -> {{162788, 146491, 104044}, {"", ""}}, 
   {915.6391, 16.21967, "Meta"} -> {{293178, 1, 216767}, {"", ""}}, 
   {674.5822, 16.300085, "Meta"} -> {{110194, 37737, 71623}, 
     {"1-(9Z,12Z,15Z-octadecatrienoyl)-2-docosanoyl-sn-glycerol [ C43 H78 O5, \
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   {669.6272, 16.306915, "Meta"} -> {{58100, 25801, 30823}, {"", ""}}, 
   {599.7973, 0.40380767, "Meta"} -> {{23381, 8740, 25590}, {"", ""}}, 
   {657.758, 0.40885717, "Meta"} -> {{25503, 22707, 18282}, {"", ""}}, 
   {294.0586, 0.8043199, "Meta"} -> {{1, 1, 85744}, 
     {"2-Butanone, 4-[6-(sulfooxy)-2-naphthalenyl]- [ C14 H14 O5 S, db=75.51, \
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   {281.1835, 0.9314584, "Meta"} -> {{1, 45448, 37213}, {"", ""}}, 
   {398.103, 10.056501, "Meta"} -> {{193517, 201660, 188046}, 
     {"7-Deoxyadriamycinone [ C21 H18 O8, db=72.55, overall=36.27, KEGG ID=, \
CAS ID=38554-25-5 ]", "38554-25-5"}}, {316.1655, 12.127219, "Meta"} -> 
    {{15206, 15034, 19460}, {"Gibberellin A9 [ C19 H24 O4, db=70.57, \
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   {360.3348, 12.153709, "Meta"} -> {{12167, 19553, 20356}, {"", ""}}, 
   {575.2531, 12.914229, "Meta"} -> {{119837, 118890, 93715}, {"", ""}}, 
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   {1089.123, 13.053888, "Meta"} -> {{1, 229711, 179318}, {"", ""}}, 
   {171.1082, 13.161032, "Meta"} -> {{97105, 110260, 133408}, {"", ""}}, 
   {1128.6443, 13.308519, "Meta"} -> {{327408, 286464, 234081}, {"", ""}}, 
   {1054.6296, 13.4031925, "Meta"} -> {{220122, 179650, 220503}, {"", ""}}, 
   {354.2764, 13.447666, "Meta"} -> {{78531, 58407, 63473}, 
     {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 O4, db=81.00, \
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    {{30867, 31232, 40604}, {"3alpha-Hydroxy-1,7-dioxo-5beta-cholan-24-oic \
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   {393.345, 13.526668, "Meta"} -> {{33486, 36058, 1}, {"", ""}}, 
   {924.666, 13.533161, "Meta"} -> {{1, 57092, 67833}, {"", ""}}, 
   {669.1917, 13.736482, "Meta"} -> {{1, 110474, 79323}, {"", ""}}, 
   {1290.8967, 13.782408, "Meta"} -> {{1, 1, 261210}, {"", ""}}, 
   {635.9026, 13.919742, "Meta"} -> {{78435, 87523, 1}, {"", ""}}, 
   {635.3999, 13.91975, "Meta"} -> {{152802, 157955, 1}, {"", ""}}, 
   {516.3801, 14.114333, "Meta"} -> {{79005, 1, 84155}, {"", ""}}, 
   {511.1689, 14.181082, "Meta"} -> {{1, 73097, 107391}, {"", ""}}, 
   {931.215, 14.176583, "Meta"} -> {{1, 205923, 156826}, {"", ""}}, 
   {586.1548, 14.178291, "Meta"} -> {{1, 59593, 38009}, {"", ""}}, 
   {1359.9429, 14.191167, "Meta"} -> {{681549, 1, 721286}, {"", ""}}, 
   {1320.8715, 14.194332, "Meta"} -> {{144736, 197128, 105217}, {"", ""}}, 
   {380.2015, 14.26752, "Meta"} -> {{18842, 1, 19775}, 
     {"fludrocortisone [ C21 H29 F O5, db=74.03, overall=37.01, KEGG \
ID=C07004, CAS ID=127-31-1 ]", "127-31-1"}}, {619.3965, 14.305385, "Meta"} -> 
    {{44610, 46266, 43984}, {"", ""}}, {356.3763, 14.378928, "Meta"} -> 
    {{17020, 25421, 44741}, {"", ""}}, {1889.2896, 14.402522, "Meta"} -> 
    {{1, 104583, 1}, {"", ""}}, {650.1152, 14.411629, "Meta"} -> 
    {{27808, 35027, 33690}, {"", ""}}, {1767.123, 14.413298, "Meta"} -> 
    {{107100, 1, 1}, {"", ""}}, {1679.0721, 14.423563, "Meta"} -> 
    {{1, 121538, 100324}, {"", ""}}, {368.2238, 14.477722, "Meta"} -> 
    {{51650, 41567, 1}, {"Cinnarizine [ C26 H28 N2, db=69.13, overall=34.57, \
KEGG ID=, CAS ID=298-57-7 ]", "298-57-7"}}, {1917.3203, 14.597922, "Meta"} -> 
    {{1, 66224, 63341}, {"", ""}}, {647.4032, 14.609459, "Meta"} -> 
    {{238848, 1, 194559}, {"", ""}}, {500.3232, 14.654705, "Meta"} -> 
    {{79176, 55411, 66827}, {"", ""}}, {1521.0833, 14.646523, "Meta"} -> 
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    {{837713, 1169631, 1868546}, {"", ""}}, {921.5034, 15.239142, "Meta"} -> 
    {{27366, 27889, 34291}, {"", ""}}, {788.0411, 15.420655, "Meta"} -> 
    {{36279, 37316, 56999}, {"", ""}}, {841.5162, 15.547038, "Meta"} -> 
    {{90079, 28863, 88053}, {"", ""}}, {850.624, 15.728799, "Meta"} -> 
    {{631887, 421349, 662444}, {"", ""}}, {517.7982, 0.4096, "Meta"} -> 
    {{18080, 20142, 18269}, {"", ""}}, {666.2423, 12.18948, "Meta"} -> 
    {{33962, 37244, 39713}, {"", ""}}, {572.2543, 12.91816, "Meta"} -> 
    {{90130, 84163, 1}, {"", ""}}, {1595.9451, 12.915928, "Meta"} -> 
    {{287544, 211203, 117935}, {"", ""}}, {3109.9707, 13.280482, "Meta"} -> 
    {{194424, 191951, 224587}, {"", ""}}, {545.3454, 13.662582, "Meta"} -> 
    {{2898544, 2744028, 1}, {"", ""}}, {688.2758, 13.875841, "Meta"} -> 
    {{24923, 20885, 1}, {"", ""}}, {1489.1554, 14.143559, "Meta"} -> 
    {{1592957, 1175155, 1130031}, {"", ""}}, 
   {1390.9865, 14.3234005, "Meta"} -> {{320315, 1, 486111}, {"", ""}}, 
   {530.4326, 14.391999, "Meta"} -> {{36548, 45680, 54269}, {"", ""}}, 
   {594.4261, 14.674281, "Meta"} -> {{139242, 150213, 99211}, {"", ""}}, 
   {1457.1663, 15.1218405, "Meta"} -> {{1200720, 986924, 827844}, {"", ""}}, 
   {2310.636, 15.30744, "Meta"} -> {{113910, 122794, 181702}, {"", ""}}, 
   {467.2173, 13.542123, "Meta"} -> {{22145, 16938, 15756}, 
     {"Levobunolol glucuronide [ C23 H33 N O9, db=57.86, overall=28.93, KEGG \
ID=, CAS ID=66171-80-0 ]", "66171-80-0"}}, {1498.9567, 13.811957, "Meta"} -> 
    {{79286, 1, 27263}, {"", ""}}, {356.2327, 13.884462, "Meta"} -> 
    {{24844, 28110, 22954}, {"Estradiol valerate [ C23 H32 O3, db=46.24, \
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   {406.3805, 14.560919, "Meta"} -> {{25432, 23657, 23554}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=58.66, \
overall=29.33, Lipid ID=, KEGG ID= ]", ""}}, {422.3396, 14.760127, "Meta"} -> 
    {{554641, 384443, 1}, {"", ""}}|>, 
 "19" -> <|{202.0329, 0.33260712, "Meta"} -> {{320861, 198281, 232482}, 
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     {"", ""}}, {942.9842, 0.34920588, "Meta"} -> {{128728, 124829, 142680}, 
     {"", ""}}, {146.1052, 0.34577778, "Meta"} -> {{98340, 85930, 94786}, 
     {"Lysine [ C6 H14 N2 O2, db=85.61, overall=42.81, KEGG ID=C00047, CAS \
ID=56-87-1 ]", "56-87-1"}}, {261.9746, 0.34792307, "Meta"} -> 
    {{26869, 38994, 29536}, {"", ""}}, {327.9996, 0.35123524, "Meta"} -> 
    {{23386, 24789, 21319}, {"", ""}}, {410.0024, 0.35388887, "Meta"} -> 
    {{20296, 17245, 20046}, {"", ""}}, {492.0044, 0.3583055, "Meta"} -> 
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    {{1, 12016, 1}, {"", ""}}, {574.0073, 0.3586285, "Meta"} -> 
    {{39150, 26865, 23539}, {"", ""}}, {589.9859, 0.36100003, "Meta"} -> 
    {{20027, 18183, 14332}, {"", ""}}, {507.9825, 0.35863888, "Meta"} -> 
    {{19395, 25188, 18813}, {"Inosine triphosphate [ C10 H15 N4 O14 P3, \
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   {656.0118, 0.36025003, "Meta"} -> {{19091, 35510, 19236}, {"", ""}}, 
   {738.0146, 0.3612308, "Meta"} -> {{17499, 18681, 18884}, {"", ""}}, 
   {1278.0948, 0.3672727, "Meta"} -> {{1, 11459, 9542}, {"", ""}}, 
   {436.0787, 0.36760005, "Meta"} -> {{28031, 26066, 26023}, {"", ""}}, 
   {340.0591, 0.3675589, "Meta"} -> {{27343, 1, 23649}, {"", ""}}, 
   {600.0828, 0.36788896, "Meta"} -> {{46851, 44028, 47163}, {"", ""}}, 
   {586.0686, 0.36716667, "Meta"} -> {{18541, 16718, 20777}, {"", ""}}, 
   {504.0638, 0.3671143, "Meta"} -> {{16898, 1, 14942}, {"", ""}}, 
   {682.0872, 0.36725715, "Meta"} -> {{18873, 18574, 18581}, {"", ""}}, 
   {518.081, 0.36761123, "Meta"} -> {{46598, 45675, 53521}, {"", ""}}, 
   {168.0872, 0.36461288, "Meta"} -> {{41096, 35953, 31988}, {"", ""}}, 
   {354.0757, 0.36960006, "Meta"} -> {{83131, 81678, 79147}, 
     {"N-Desmethylketazolam [ C19 H15 Cl N2 O3, db=61.05, overall=30.52, KEGG \
ID=, CAS ID=26945-40-4 ]", "26945-40-4"}}, {764.0883, 0.36781484, "Meta"} -> 
    {{10196, 9168, 1}, {"", ""}}, {1442.1014, 0.36745453, "Meta"} -> 
    {{1, 14184, 14746}, {"", ""}}, {1110.0033, 0.36859375, "Meta"} -> 
    {{56612, 1, 52301}, {"", ""}}, {185.9878, 0.37075, "Meta"} -> 
    {{3244337, 2964387, 3232421}, {"", ""}}, 
   {103.9855, 0.37086117, "Meta"} -> {{1198580, 1388556, 1449333}, {"", ""}}, 
   {842.5152, 0.37236363, "Meta"} -> {{58820, 62810, 58240}, 
     {"Spiramycin 1 [ C43 H74 N2 O14, db=50.52, overall=25.26, KEGG \
ID=C01754, CAS ID=24916-50-5 ]", "24916-50-5"}}, 
   {1274.0109, 0.37162504, "Meta"} -> {{181575, 1, 179293}, {"", ""}}, 
   {2094.0337, 0.37128574, "Meta"} -> {{81669, 1, 84762}, {"", ""}}, 
   {2504.0469, 0.37122574, "Meta"} -> {{39245, 1, 35548}, {"", ""}}, 
   {2176.057, 0.37145713, "Meta"} -> {{108493, 1, 118614}, {"", ""}}, 
   {1848.0302, 0.37174284, "Meta"} -> {{296563, 1, 304960}, {"", ""}}, 
   {678.5085, 0.37215626, "Meta"} -> {{49813, 1, 45301}, 
     {"GPCho(14:0/14:0[U]) [ C36 H73 N O8 P, db=51.87, overall=25.93, Lipid \
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    {{1001729, 1054162, 1020894}, {"", ""}}, {760.0074, 0.3722353, "Meta"} -> 
    {{640695, 1, 650868}, {"", ""}}, {349.9932, 0.3725278, "Meta"} -> 
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   {2012.0356, 0.37163636, "Meta"} -> {{242268, 1, 1}, {"", ""}}, 
   {760.5129, 0.37200004, "Meta"} -> {{53407, 1, 51083}, {"", ""}}, 
   {1930.0293, 0.37155885, "Meta"} -> {{120257, 1, 126180}, {"", ""}}, 
   {1766.0236, 0.37175757, "Meta"} -> {{158786, 1, 159195}, {"", ""}}, 
   {1438.0165, 0.37166667, "Meta"} -> {{214032, 1, 208449}, {"", ""}}, 
   {1602.032, 0.37169698, "Meta"} -> {{203837, 1, 200248}, {"", ""}}, 
   {2258.056, 0.37132356, "Meta"} -> {{50485, 1, 56759}, {"", ""}}, 
   {2340.0415, 0.3715, "Meta"} -> {{70512, 1, 68113}, {"", ""}}, 
   {1617.9949, 0.37353334, "Meta"} -> {{55965, 1, 55635}, {"", ""}}, 
   {842.0098, 0.37212902, "Meta"} -> {{480022, 1, 485345}, {"", ""}}, 
   {596.003, 0.3728823, "Meta"} -> {{1536577, 1615317, 1581130}, {"", ""}}, 
   {431.9965, 0.37666664, "Meta"} -> {{2923879, 3050142, 2925514}, {"", ""}}, 
   {1781.9979, 0.37309682, "Meta"} -> {{46083, 1, 42136}, {"", ""}}, 
   {514.0034, 0.37308568, "Meta"} -> {{3064138, 3145314, 3064897}, {"", ""}}, 
   {267.9908, 0.3730278, "Meta"} -> {{5909047, 5829253, 5676849}, {"", ""}}, 
   {2110.02, 0.37291667, "Meta"} -> {{25570, 1, 1}, {"", ""}}, 
   {1535.9908, 0.37340006, "Meta"} -> {{52660, 1, 49326}, {"", ""}}, 
   {1371.9957, 0.3735173, "Meta"} -> {{45192, 1, 42721}, {"", ""}}, 
   {1864.011, 0.3730323, "Meta"} -> {{41603, 1, 1}, {"", ""}}, 
   {1699.9985, 0.3731875, "Meta"} -> {{48815, 1, 46829}, {"", ""}}, 
   {1946.0074, 0.37290323, "Meta"} -> {{34977, 1, 36097}, {"", ""}}, 
   {2028.023, 0.37268, "Meta"} -> {{28142, 1, 26125}, {"", ""}}, 
   {365.97, 0.37485716, "Meta"} -> {{153397, 158074, 149963}, {"", ""}}, 
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   {1207.9905, 0.37368754, "Meta"} -> {{28705, 1, 24764}, {"", ""}}, 
   {447.9728, 0.37527272, "Meta"} -> {{242628, 1, 241025}, {"", ""}}, 
   {1289.9849, 0.37362495, "Meta"} -> {{39177, 1, 36620}, {"", ""}}, 
   {529.9721, 0.37509674, "Meta"} -> {{248019, 1, 241706}, {"", ""}}, 
   {283.9663, 0.37641668, "Meta"} -> {{351333, 340990, 332463}, {"", ""}}, 
   {693.9824, 0.3773871, "Meta"} -> {{102717, 1, 105905}, {"", ""}}, 
   {775.9853, 0.37764287, "Meta"} -> {{73336, 1, 69230}, {"", ""}}, 
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   {857.9875, 0.3774839, "Meta"} -> {{53325, 1, 52537}, {"", ""}}, 
   {1413.9979, 0.38107693, "Meta"} -> {{46959, 51060, 53415}, {"", ""}}, 
   {1331.9816, 0.38222224, "Meta"} -> {{44207, 47493, 44525}, {"", ""}}, 
   {1495.995, 0.38175866, "Meta"} -> {{48857, 46156, 45588}, {"", ""}}, 
   {1249.9858, 0.38258335, "Meta"} -> {{47381, 42116, 45442}, {"", ""}}, 
   {1167.9846, 0.38393104, "Meta"} -> {{36213, 37951, 36676}, {"", ""}}, 
   {571.9606, 0.3881667, "Meta"} -> {{202190, 208853, 194807}, {"", ""}}, 
   {489.9575, 0.38891178, "Meta"} -> {{288046, 294278, 282537}, {"", ""}}, 
   {407.9539, 0.38981822, "Meta"} -> {{337926, 340496, 333549}, {"", ""}}, 
   {325.9501, 0.3924723, "Meta"} -> {{255398, 243657, 240097}, {"", ""}}, 
   {465.9127, 0.39305556, "Meta"} -> {{221330, 217091, 186017}, {"", ""}}, 
   {259.9214, 0.39474198, "Meta"} -> {{153849, 1, 147017}, {"", ""}}, 
   {605.8735, 0.39525005, "Meta"} -> {{117111, 109498, 39890}, {"", ""}}, 
   {243.9473, 0.3973611, "Meta"} -> {{1294054, 1298045, 1237670}, {"", ""}}, 
   {383.9092, 0.39772224, "Meta"} -> {{238229, 234131, 224689}, {"", ""}}, 
   {523.872, 0.3975429, "Meta"} -> {{150510, 151747, 1}, {"", ""}}, 
   {581.8306, 0.40027776, "Meta"} -> {{131394, 139038, 123020}, {"", ""}}, 
   {639.7888, 0.40351427, "Meta"} -> {{119228, 110715, 104532}, {"", ""}}, 
   {441.8685, 0.4018334, "Meta"} -> {{234276, 215638, 210975}, {"", ""}}, 
   {697.7475, 0.40715998, "Meta"} -> {{94476, 99300, 93403}, {"", ""}}, 
   {499.8273, 0.40608332, "Meta"} -> {{179753, 178756, 165586}, {"", ""}}, 
   {615.7448, 0.40847063, "Meta"} -> {{134617, 137318, 124607}, {"", ""}}, 
   {301.9058, 0.40786114, "Meta"} -> {{267609, 254729, 244739}, {"", ""}}, 
   {673.7031, 0.41129026, "Meta"} -> {{1, 99889, 89891}, {"", ""}}, 
   {359.8649, 0.41030556, "Meta"} -> {{190452, 187627, 182139}, {"", ""}}, 
   {417.8229, 0.4105714, "Meta"} -> {{209815, 203645, 205255}, {"", ""}}, 
   {755.7073, 0.41121435, "Meta"} -> {{65726, 67053, 61547}, {"", ""}}, 
   {475.7822, 0.41099995, "Meta"} -> {{154522, 154442, 149652}, {"", ""}}, 
   {575.7568, 0.41006452, "Meta"} -> {{26124, 25187, 28916}, {"", ""}}, 
   {219.9025, 0.4121111, "Meta"} -> {{467945, 457859, 441952}, {"", ""}}, 
   {651.6545, 0.41184002, "Meta"} -> {{1, 58122, 1}, 
     {"Cer(d18:0/24:0) [ C42 H85 N O3, db=58.22, overall=29.11, Lipid \
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    {{89929, 91014, 85162}, {"", ""}}, {277.8617, 0.41355553, "Meta"} -> 
    {{252525, 243514, 1}, {"", ""}}, {161.944, 0.4130858, "Meta"} -> 
    {{239422, 1, 239399}, {"", ""}}, {607.0989, 0.41675, "Meta"} -> 
    {{24446, 19869, 27975}, {"", ""}}, {525.0954, 0.41841662, "Meta"} -> 
    {{56856, 48282, 65130}, {"Sertraline Carbamic acid glucuronide [ C24 H25 \
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      "119733-44-7"}}, {377.0618, 0.41700003, "Meta"} -> 
    {{22426, 20882, 28198}, {"", ""}}, {295.0595, 0.42075, "Meta"} -> 
    {{182872, 144401, 214570}, {"5-Aminoimidazole ribonucleotide [ C8 H14 N3 \
O7 P, db=61.18, overall=30.59, HMP ID=HMDB01235, KEGG ID= ]", ""}}, 
   {361.0891, 0.4204722, "Meta"} -> {{333541, 273053, 385431}, 
     {"His Cys Cys [ C12 H19 N5 O4 S2, db=74.60, overall=37.30 ]", ""}}, 
   {443.0923, 0.42244443, "Meta"} -> {{70175, 60161, 79255}, {"", ""}}, 
   {536.1894, 0.42578793, "Meta"} -> {{50941, 31338, 79832}, {"", ""}}, 
   {342.008, 0.44034287, "Meta"} -> {{58266, 55028, 68297}, {"", ""}}, 
   {279.085, 0.43405554, "Meta"} -> {{1540813, 1080615, 1942680}, {"", ""}}, 
   {284.0491, 0.4420606, "Meta"} -> {{81016, 63236, 65505}, {"", ""}}, 
   {103.0999, 0.44377777, "Meta"} -> {{248567, 174841, 290935}, {"", ""}}, 
   {481.9704, 0.44212005, "Meta"} -> {{10994, 11136, 9942}, {"", ""}}, 
   {183.0875, 0.44372222, "Meta"} -> {{398419, 403618, 352578}, {"", ""}}, 
   {224.0281, 0.4447647, "Meta"} -> {{170166, 180327, 191572}, 
     {"Cys Cys [ C6 H12 N2 O3 S2, db=64.23, overall=32.11 ]", ""}}, 
   {457.0211, 0.45377782, "Meta"} -> {{15737, 10074, 16738}, {"", ""}}, 
   {135.0411, 0.4499394, "Meta"} -> {{644145, 578971, 602894}, {"", ""}}, 
   {262.078, 0.45158333, "Meta"} -> {{386977, 361121, 357876}, 
     {"Asp Glu [ C9 H14 N2 O7, db=81.80, overall=40.90 ]", ""}}, 
   {202.0446, 0.45386112, "Meta"} -> {{8099371, 7832698, 7544019}, {"", ""}}, 
   {159.0275, 0.45163885, "Meta"} -> {{71672, 62019, 63167}, {"", ""}}, 
   {220.1785, 0.4556666, "Meta"} -> {{131402, 121133, 137723}, {"", ""}}, 
   {404.092, 0.45348275, "Meta"} -> {{47803, 44239, 39781}, {"", ""}}, 
   {315.1044, 0.4536389, "Meta"} -> {{277307, 253839, 238206}, {"", ""}}, 
   {320.036, 0.4549231, "Meta"} -> {{1, 28874, 30498}, {"", ""}}, 
   {382.1086, 0.45669445, "Meta"} -> {{3196869, 3163711, 2932936}, {"", ""}}, 
   {396.1638, 0.4501666, "Meta"} -> {{10460, 1, 15201}, 
     {"Asn Tyr Thr [ C17 H24 N4 O7, db=83.05, overall=41.53 ]", ""}}, 
   {113.059, 0.45647225, "Meta"} -> {{427170, 407400, 515353}, 
     {"Creatinine [ C4 H7 N3 O, db=69.36, overall=34.68, KEGG ID=C00791, CAS \
ID=60-27-5 ]", "60-27-5"}}, {339.0908, 0.4577187, "Meta"} -> 
    {{22271, 17910, 17908}, 
     {"Cys Ser Met [ C11 H21 N3 O5 S2, db=57.09, overall=28.54 ]", ""}}, 
   {337.0433, 0.45780003, "Meta"} -> {{174254, 1, 234732}, 
     {"Famotidine [ C8 H15 N7 O2 S3, db=57.43, overall=28.71, KEGG ID=C06994, \
CAS ID=76824-35-6 ]", "76824-35-6"}}, {114.0292, 0.45835483, "Meta"} -> 
    {{146287, 150510, 149863}, {"", ""}}, {174.1111, 0.46506065, "Meta"} -> 
    {{1, 83117, 39071}, {"Arginine [ C6 H14 N4 O2, db=51.57, overall=25.79, \
KEGG ID=C00062, CAS ID=74-79-3 ]", "74-79-3"}}, 
   {131.0692, 0.46048486, "Meta"} -> {{175773, 166944, 1}, 
     {"Creatine [ C4 H9 N3 O2, db=99.16, overall=49.58, KEGG ID=C00300, CAS \
ID=6020-87-7 ]", "6020-87-7"}}, {317.9624, 0.46102777, "Meta"} -> 
    {{225869, 229536, 212782}, {"", ""}}, {260.0039, 0.4610556, "Meta"} -> 
    {{641679, 614932, 604597}, {"", ""}}, {139.0609, 0.45847225, "Meta"} -> 
    {{1244680, 1097342, 1123256}, {"", ""}}, 
   {375.9207, 0.46166673, "Meta"} -> {{175071, 169997, 159497}, {"", ""}}, 
   {498.0259, 0.46341926, "Meta"} -> {{50719, 49608, 44166}, {"", ""}}, 
   {161.1053, 0.46408334, "Meta"} -> {{1804744, 1771761, 1755124}, {"", ""}}, 
   {366.1134, 0.4641667, "Meta"} -> {{58056, 54165, 52894}, {"", ""}}, 
   {440.0675, 0.46469444, "Meta"} -> {{178110, 184949, 153670}, {"", ""}}, 
   {175.0959, 0.4649032, "Meta"} -> {{46630, 50230, 43923}, 
     {"Citrulline [ C6 H13 N3 O3, db=47.39, overall=23.69, KEGG ID=C00327, \
CAS ID=372-75-8 ]", "372-75-8"}}, {115.0636, 0.4639722, "Meta"} -> 
    {{968891, 957281, 937640}, {"Proline [ C5 H9 N O2, db=87.30, \
overall=43.65, KEGG ID=C00148, CAS ID=147-85-3 ]", "147-85-3"}}, 
   {256.1436, 0.4642592, "Meta"} -> {{201693, 176511, 1}, {"", ""}}, 
   {399.0646, 0.4658, "Meta"} -> {{45091, 39752, 39922}, {"", ""}}, 
   {192.1473, 0.46303123, "Meta"} -> {{339953, 342848, 328580}, {"", ""}}, 
   {341.1066, 0.46715382, "Meta"} -> {{36758, 36377, 1}, 
     {"Tyr Cys Gly [ C14 H19 N3 O5 S, db=77.47, overall=38.73 ]", ""}}, 
   {248.1483, 0.46862853, "Meta"} -> {{1, 22219, 23444}, {"", ""}}, 
   {159.1256, 0.47108328, "Meta"} -> {{262480, 236769, 220677}, 
     {"DL-2-Aminooctanoic acid [ C8 H17 N O2, db=86.92, overall=43.46, HMP \
ID=HMDB00991, KEGG ID= ]", ""}}, {60.0325, 0.47265622, "Meta"} -> 
    {{523430, 647865, 541829}, {"Urea [ C H4 N2 O, db=87.80, overall=43.90, \
KEGG ID=C00086, CAS ID=57-13-6 ]", "57-13-6"}}, 
   {297.1425, 0.47046667, "Meta"} -> {{269554, 254473, 65347}, 
     {"Ala His Ala [ C12 H19 N5 O4, db=91.10, overall=45.55 ]", ""}}, 
   {117.0784, 0.47286117, "Meta"} -> {{5975686, 5695949, 5562251}, 
     {"5-Aminopentanoic acid [ C5 H11 N O2, db=96.95, overall=48.48, HMP \
ID=HMDB03355, KEGG ID= ]", ""}}, {222.0852, 0.47502783, "Meta"} -> 
    {{89779, 94148, 89855}, {"", ""}}, {302.184, 0.47386664, "Meta"} -> 
    {{30999, 27595, 26033}, {"", ""}}, {240.0955, 0.47499996, "Meta"} -> 
    {{83002, 78497, 75977}, {"", ""}}, {143.0945, 0.4738333, "Meta"} -> 
    {{681208, 752764, 756551}, {"Triparanol [ C7 H13 N O2, db=69.83, \
overall=34.92, HMP ID=HMDB01378, KEGG ID= ]", ""}}, 
   {228.1473, 0.47896966, "Meta"} -> {{338290, 347312, 350815}, 
     {"Leu Pro [ C11 H20 N2 O3, db=61.48, overall=30.74 ]", ""}}, 
   {257.1031, 0.48044443, "Meta"} -> {{758105, 569351, 1070926}, 
     {"5-Methylcytidine [ C10 H15 N3 O5, db=85.28, overall=42.64, HMP \
ID=HMDB00982, KEGG ID=, CAS ID=2140-61-6 ]", "2140-61-6"}}, 
   {71.074, 0.48255876, "Meta"} -> {{934076, 865278, 871664}, {"", ""}}, 
   {157.1101, 0.4915172, "Meta"} -> {{42162, 36948, 49827}, 
     {"Tranexamic acid [ C8 H15 N O2, db=82.75, overall=41.37, KEGG \
ID=C12535, CAS ID=1197-18-8 ]", "1197-18-8"}}, 
   {144.042, 0.48648572, "Meta"} -> {{1, 136243, 116555}, 
     {"(E)-2-Methylglutaconic acid [ C6 H8 O4, db=81.83, overall=40.91, HMP \
ID=HMDB02266, KEGG ID= ]", ""}}, {240.1471, 0.48564285, "Meta"} -> 
    {{39955, 23524, 26020}, {"", ""}}, {162.0524, 0.48472, "Meta"} -> 
    {{155376, 156710, 139645}, {"2-Hydroxyadipic acid [ C6 H10 O5, db=74.88, \
overall=37.44, HMP ID=HMDB00321, KEGG ID= ]", ""}}, 
   {307.0891, 0.4947, "Meta"} -> {{23667, 20832, 25521}, 
     {"Succinyllipoic acid [ C12 H21 N O4 S2, db=34.62, overall=17.31, HMP \
ID=HMDB01012, KEGG ID= ]", ""}}, {247.9688, 0.49561107, "Meta"} -> 
    {{181269, 186419, 208710}, {"", ""}}, {198.0384, 0.50133336, "Meta"} -> 
    {{119442, 151364, 192612}, {"", ""}}, {168.0283, 0.50608325, "Meta"} -> 
    {{2616319, 1894200, 1869865}, {"Uric acid [ C5 H4 N4 O3, db=97.37, \
overall=48.69, KEGG ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, 
   {191.0248, 0.5051143, "Meta"} -> {{147898, 156414, 159893}, {"", ""}}, 
   {348.0916, 0.5082572, "Meta"} -> {{123799, 109037, 107568}, {"", ""}}, 
   {280.0422, 0.50655884, "Meta"} -> {{44534, 38817, 43735}, {"", ""}}, 
   {133.9952, 0.5028, "Meta"} -> {{236416, 1, 238949}, {"", ""}}, 
   {129.0423, 0.50794446, "Meta"} -> {{464895, 356789, 436980}, 
     {"Pyroglutamic acid [ C5 H7 N O3, db=86.82, overall=43.41, KEGG \
ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, {309.1056, 0.5132, "Meta"} -> 
    {{32061, 33127, 37762}, {"N-Acetyl-a-neuraminic acid [ C11 H19 N O9, \
db=51.18, overall=25.59, HMP ID=HMDB00773, KEGG ID= ]", ""}}, 
   {548.0497, 0.5119356, "Meta"} -> {{49736, 26605, 35226}, {"", ""}}, 
   {112.0135, 0.51612, "Meta"} -> {{1, 892631, 748871}, {"", ""}}, 
   {396.0151, 0.5267038, "Meta"} -> {{74301, 79778, 34451}, {"", ""}}, 
   {393.0659, 0.53931427, "Meta"} -> {{53617, 38243, 60034}, 
     {"5-Hydroxythiabendazole glucuronide [ C16 H15 N3 O7 S, db=55.85, \
overall=27.93, KEGG ID=, CAS ID=6801-82-7 ]", "6801-82-7"}}, 
   {185.1047, 0.54106057, "Meta"} -> {{1, 50701, 76169}, 
     {"Ecgonine [ C9 H15 N O3, db=82.32, overall=41.16, KEGG ID=, CAS \
ID=481-37-8 ]", "481-37-8"}}, {159.068, 0.54042304, "Meta"} -> 
    {{35875, 46047, 43910}, {"Indoleacetaldehyde [ C10 H9 N O, db=55.69, \
overall=27.85, HMP ID=HMDB01190, KEGG ID= ]", ""}}, 
   {132.0244, 0.54202855, "Meta"} -> {{121596, 110339, 108854}, {"", ""}}, 
   {149.0507, 0.54125, "Meta"} -> {{1098198, 966543, 1104878}, 
     {"Methionine [ C5 H11 N O2 S, db=99.04, overall=49.52, KEGG ID=C00073, \
CAS ID=63-68-3 ]", "63-68-3"}}, {279.1315, 0.54772216, "Meta"} -> 
    {{125235, 146635, 122519}, {"", ""}}, {164.047, 0.5517223, "Meta"} -> 
    {{329599, 173309, 281963}, {"p-Coumaric acid [ C9 H8 O3, db=86.35, \
overall=43.17, KEGG ID=, CAS ID=7400-08-0 ]", "7400-08-0"}}, 
   {181.0737, 0.5518889, "Meta"} -> {{2471364, 2086613, 3258583}, 
     {"Tyrosine [ C9 H11 N O3, db=99.43, overall=49.71, KEGG ID=C00082, CAS \
ID=60-18-4 ]", "60-18-4"}}, {122.0354, 0.55100006, "Meta"} -> 
    {{271973, 293377, 244127}, {"", ""}}, {321.1047, 0.5580909, "Meta"} -> 
    {{115076, 21367, 115330}, {"", ""}}, {311.1578, 0.55884373, "Meta"} -> 
    {{344646, 1, 351429}, 
     {"Gly Val His [ C13 H21 N5 O4, db=80.96, overall=40.48 ]", ""}}, 
   {131.0946, 0.5592222, "Meta"} -> {{2.3*^7, 2.12*^7, 2.32*^7}, 
     {"Leucine [ C6 H13 N O2, db=99.82, overall=49.91, KEGG ID=C00123, CAS \
ID=61-90-5 ]", "61-90-5"}}, {85.0889, 0.5585, "Meta"} -> 
    {{2826988, 2559334, 2768490}, {"", ""}}, 
   {175.0582, 0.55870366, "Meta"} -> {{1, 148709, 170583}, 
     {"Guanidinosuccinic Acid [ C5 H9 N3 O4, db=74.59, overall=37.29, KEGG \
ID=C03139, CAS ID=6133-30-8 ]", "6133-30-8"}}, 
   {230.0767, 0.58708334, "Meta"} -> {{74443, 65509, 37859}, {"", ""}}, 
   {124.0136, 0.573853, "Meta"} -> {{125078, 105343, 128268}, {"", ""}}, 
   {262.1892, 0.5915186, "Meta"} -> {{46916, 80158, 1}, {"", ""}}, 
   {315.1291, 0.6577931, "Meta"} -> {{34796, 26643, 1}, {"", ""}}, 
   {181.0738, 0.63259375, "Meta"} -> {{1198009, 1174254, 1}, 
     {"Tyrosine [ C9 H11 N O3, db=99.69, overall=49.85, KEGG ID=C00082, CAS \
ID=60-18-4 ]", "60-18-4"}}, {321.1046, 0.64432, "Meta"} -> 
    {{1, 53433, 1}, {"", ""}}, {262.1526, 0.64625, "Meta"} -> 
    {{1, 1, 20414}, {"", ""}}, {85.0891, 0.65061104, "Meta"} -> 
    {{2725222, 2458312, 2400844}, {"", ""}}, 
   {131.0943, 0.65075004, "Meta"} -> {{2.36*^7, 2.04*^7, 1.96*^7}, 
     {"Leucine [ C6 H13 N O2, db=98.20, overall=49.10, KEGG ID=C00123, CAS \
ID=61-90-5 ]", "61-90-5"}}, {184.0232, 0.6469033, "Meta"} -> 
    {{720598, 575380, 591929}, {"", ""}}, {396.0152, 0.65655553, "Meta"} -> 
    {{54178, 58619, 54820}, {"", ""}}, {198.0385, 0.6591563, "Meta"} -> 
    {{99315, 80718, 1}, {"", ""}}, {366.1426, 0.73793095, "Meta"} -> 
    {{88632, 83495, 81386}, {"", ""}}, {564.0432, 0.6553846, "Meta"} -> 
    {{20855, 1, 20130}, {"", ""}}, {168.0284, 0.66358334, "Meta"} -> 
    {{3379872, 3548442, 2994135}, {"Uric acid [ C5 H4 N4 O3, db=99.35, \
overall=49.68, KEGG ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, 
   {352.0513, 0.6635001, "Meta"} -> {{127466, 129467, 120604}, {"", ""}}, 
   {191.0249, 0.6656572, "Meta"} -> {{463586, 392052, 458177}, {"", ""}}, 
   {176.0948, 0.66323525, "Meta"} -> {{78086, 69530, 70254}, 
     {"Serotonin [ C10 H12 N2 O, db=81.86, overall=40.93, KEGG ID=C00780, CAS \
ID=50-67-9 ]", "50-67-9"}}, {343.1261, 0.6673332, "Meta"} -> 
    {{34798, 34206, 1}, {"b-D-Glucopyranosiduronic acid [ C15 H21 N O8, \
db=84.47, overall=42.23, KEGG ID=, CAS ID=33150-82-2 ]", "33150-82-2"}}, 
   {159.0679, 0.6692903, "Meta"} -> {{62273, 49443, 49538}, 
     {"Indoleacetaldehyde [ C10 H9 N O, db=58.61, overall=29.30, HMP \
ID=HMDB01190, KEGG ID= ]", ""}}, {542.0351, 0.6685769, "Meta"} -> 
    {{33706, 28708, 22318}, {"cefonicid [ C18 H18 N6 O8 S3, db=52.28, \
overall=26.14, KEGG ID=, CAS ID= ]", ""}}, {267.1331, 0.6696945, "Meta"} -> 
    {{47464, 48596, 58200}, {"", ""}}, {346.076, 0.6595, "Meta"} -> 
    {{30547, 59437, 29807}, {"", ""}}, {366.0667, 0.6683939, "Meta"} -> 
    {{50869, 45382, 34805}, {"", ""}}, {348.0913, 0.6686563, "Meta"} -> 
    {{69645, 58080, 57447}, {"", ""}}, {478.0537, 0.6733429, "Meta"} -> 
    {{47697, 41968, 18384}, {"", ""}}, {129.0423, 0.67652774, "Meta"} -> 
    {{433080, 493673, 479491}, {"Pyroglutamic acid [ C5 H7 N O3, db=60.99, \
overall=30.50, KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {297.0706, 0.67399997, "Meta"} -> {{26398, 22408, 21390}, {"", ""}}, 
   {414.0701, 0.68071425, "Meta"} -> {{26049, 27494, 23400}, {"", ""}}, 
   {104.0473, 0.7109601, "Meta"} -> {{1, 1, 1}, {"a-hydroxybutyrate [ C4 H8 \
O3, db=87.83, overall=43.92, KEGG ID=, CAS ID= ]", ""}}, 
   {293.1474, 0.70211107, "Meta"} -> {{768074, 833346, 601572}, {"", ""}}, 
   {124.0136, 0.698871, "Meta"} -> {{126268, 1, 116309}, {"", ""}}, 
   {244.0693, 0.69808567, "Meta"} -> {{142567, 138795, 137753}, 
     {"Uridine [ C9 H12 N2 O6, db=80.06, overall=40.03, KEGG ID=C00299, CAS \
ID=58-96-8 ]", "58-96-8"}}, {228.1472, 0.70621204, "Meta"} -> 
    {{525261, 441697, 483676}, 
     {"Leu Pro [ C11 H20 N2 O3, db=86.33, overall=43.17 ]", ""}}, 
   {246.1213, 0.72223526, "Meta"} -> {{77919, 68165, 73783}, 
     {"Ile Asp [ C10 H18 N2 O5, db=79.46, overall=39.73 ]", ""}}, 
   {126.0292, 0.7198077, "Meta"} -> {{1938971, 1751649, 1794779}, {"", ""}}, 
   {347.9839, 0.72131026, "Meta"} -> {{72368, 1, 69926}, {"", ""}}, 
   {252.1109, 0.7333571, "Meta"} -> {{1, 169738, 152854}, 
     {"Tyr Ala [ C12 H16 N2 O4, db=96.68, overall=48.34 ]", ""}}, 
   {338.0838, 0.75042427, "Meta"} -> {{101366, 97722, 98911}, {"", ""}}, 
   {148.0112, 0.75524235, "Meta"} -> {{182392, 175957, 188738}, {"", ""}}, 
   {136.0384, 0.7559166, "Meta"} -> {{1522442, 782999, 1506127}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=95.18, overall=47.59, KEGG ID=C00262, \
CAS ID=68-94-0 ]", "68-94-0"}}, {277.0016, 0.76956004, "Meta"} -> 
    {{1, 127596, 94382}, {"", ""}}, {161.0507, 0.7749999, "Meta"} -> 
    {{452110, 361805, 473242}, {"", ""}}, {301.1176, 0.832861, "Meta"} -> 
    {{28442, 23820, 25400}, {"", ""}}, {263.0468, 0.8569698, "Meta"} -> 
    {{31107, 26085, 24479}, {"Normetanephrine sulfate [ C9 H13 N O6 S, \
db=62.13, overall=31.07, KEGG ID=, CAS ID=1215-29-8 ]", "1215-29-8"}}, 
   {427.2543, 0.88016677, "Meta"} -> {{46614, 42485, 55417}, {"", ""}}, 
   {533.1839, 0.8766785, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {208.0844, 0.8729697, "Meta"} -> {{858303, 744509, 794343}, 
     {"Kynurenine [ C10 H12 N2 O3, db=98.79, overall=49.40, KEGG ID=C00328, \
CAS ID=343-65-7 ]", "343-65-7"}}, {310.1159, 0.87493944, "Meta"} -> 
    {{46239, 1, 28718}, 
     {"Tyr Glu [ C14 H18 N2 O6, db=80.16, overall=40.08 ]", ""}}, 
   {130.0417, 0.889875, "Meta"} -> {{295910, 1, 289103}, {"", ""}}, 
   {119.0736, 0.8910293, "Meta"} -> {{6466949, 6016103, 5162541}, {"", ""}}, 
   {165.0784, 0.88927776, "Meta"} -> {{3.55*^7, 3.22*^7, 3.32*^7}, 
     {"2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, db=96.07, \
overall=48.03, KEGG ID=, CAS ID=18259-42-2 ]", "18259-42-2"}}, 
   {102.047, 0.8869601, "Meta"} -> {{55568, 1, 1}, {"", ""}}, 
   {268.0808, 0.88524127, "Meta"} -> {{109267, 87355, 148142}, 
     {"Inosine [ C10 H12 N4 O5, db=85.71, overall=42.86, KEGG ID=C00294, CAS \
ID=58-63-9 ]", "58-63-9"}}, {518.1942, 0.9226364, "Meta"} -> 
    {{21645, 1, 16548}, {"Gossypol [ C30 H30 O8, db=74.85, overall=37.42, \
Lipid ID=LMPR01030019, KEGG ID=C07667 ]", ""}}, 
   {359.1316, 0.92291445, "Meta"} -> {{35675, 32696, 35659}, 
     {"Asp Glu Pro [ C14 H21 N3 O8, db=49.24, overall=24.62 ]", ""}}, 
   {358.1738, 0.921639, "Meta"} -> {{49727, 51477, 46516}, {"", ""}}, 
   {315.1679, 0.92541665, "Meta"} -> {{3410721, 2974611, 2734498}, {"", ""}}, 
   {246.1213, 0.9403793, "Meta"} -> {{65585, 52805, 1}, 
     {"Ile Asp [ C10 H18 N2 O5, db=75.39, overall=37.69 ]", ""}}, 
   {348.1567, 0.99688005, "Meta"} -> {{187339, 157474, 1}, 
     {"Ala Arg Cys [ C12 H24 N6 O4 S, db=90.69, overall=45.35 ]", ""}}, 
   {150.0887, 1.0149167, "Meta"} -> {{9210349, 8434688, 6617015}, {"", ""}}, 
   {380.1186, 1.0151613, "Meta"} -> {{153947, 133860, 152431}, 
     {"Cys Gln Met [ C13 H24 N4 O5 S2, db=70.63, overall=35.32 ]", ""}}, 
   {88.0527, 1.0138214, "Meta"} -> {{893000, 945650, 742807}, 
     {"Acetoin [ C4 H8 O2, db=98.92, overall=49.46, KEGG ID=C00810, CAS \
ID=513-86-0 ]", "513-86-0"}}, {132.0785, 1.0133704, "Meta"} -> 
    {{341384, 1, 271562}, {"2-Hydroxy-4-methylvaleric acid [ C6 H12 O3, \
db=96.66, overall=48.33, KEGG ID=, CAS ID=13748-90-8 ]", "13748-90-8"}}, 
   {248.0572, 1.018941, "Meta"} -> {{917334, 995426, 702651}, 
     {"Pyridoxamine Phosphate [ C8 H13 N2 O5 P, db=92.97, overall=46.48, KEGG \
ID=C00647, CAS ID=529-96-4 ]", "529-96-4"}}, {264.0292, 1.0199355, "Meta"} -> 
    {{234864, 240445, 148710}, {"(3-Methoxy-4-hydroxyphenyl)ethylene glycol \
sulfate [ C9 H12 O7 S, db=58.12, overall=29.06, KEGG ID=, CAS ID=3415-67-6 ]"\
, "3415-67-6"}}, {239.9853, 1.04124, "Meta"} -> {{1, 40538, 1}, {"", ""}}, 
   {210.1212, 1.0249231, "Meta"} -> {{346743, 257230, 261671}, {"", ""}}, 
   {338.1254, 1.0379394, "Meta"} -> {{539083, 554367, 356313}, {"", ""}}, 
   {353.0898, 1.0451715, "Meta"} -> {{202032, 186487, 88812}, 
     {"Acenocoumarol [ C19 H15 N O6, db=85.70, overall=42.85, KEGG ID=, CAS \
ID=152-72-7 ]", "152-72-7"}}, {327.1318, 1.0948066, "Meta"} -> 
    {{211766, 217720, 168935}, {"", ""}}, {231.1472, 1.1548711, "Meta"} -> 
    {{139863, 151815, 102874}, {"Isobutyryl carnitine [ C11 H21 N O4, \
db=82.39, overall=41.19, KEGG ID=, CAS ID=25518-49-4 ]", "25518-49-4"}}, 
   {354.1791, 1.2549354, "Meta"} -> {{408256, 376639, 282932}, {"", ""}}, 
   {291.0178, 1.2728126, "Meta"} -> {{63912, 52987, 36122}, {"", ""}}, 
   {276.0544, 1.2674193, "Meta"} -> {{14556, 1, 62784}, {"", ""}}, 
   {216.0308, 1.2762144, "Meta"} -> {{111151, 96227, 65495}, {"", ""}}, 
   {117.0578, 1.2811853, "Meta"} -> {{1, 199535, 1}, 
     {"Indole [ C8 H7 N, db=70.72, overall=35.36, KEGG ID=C00463, CAS \
ID=120-72-9 ]", "120-72-9"}}, {204.0894, 1.2753054, "Meta"} -> 
    {{5.27*^7, 4.52*^7, 4.27*^7}, {"Tryptophan [ C11 H12 N2 O2, db=95.92, \
overall=47.96, KEGG ID=C00078, CAS ID=73-22-3 ]", "73-22-3"}}, 
   {187.0628, 1.2740554, "Meta"} -> {{1.27*^7, 8790879, 1.14*^7}, 
     {"Indoleacrylic acid [ C11 H9 N O2, db=97.72, overall=48.86, HMP \
ID=HMDB00734, KEGG ID=, CAS ID=1204-06-4 ]", "1204-06-4"}}, 
   {650.2158, 1.2843436, "Meta"} -> {{57426, 46494, 51871}, {"", ""}}, 
   {302.0588, 1.2867241, "Meta"} -> {{81338, 102472, 1}, {"", ""}}, 
   {276.0543, 1.4092578, "Meta"} -> {{64333, 59361, 1}, {"", ""}}, 
   {291.0175, 1.4124061, "Meta"} -> {{65190, 64082, 57631}, {"", ""}}, 
   {230.1631, 1.4211999, "Meta"} -> {{98449, 78204, 78694}, 
     {"Leu Val [ C11 H22 N2 O3, db=83.67, overall=41.83 ]", ""}}, 
   {280.1058, 1.5567034, "Meta"} -> {{1, 1, 1}, 
     {"Phe Asp [ C13 H16 N2 O5, db=70.05, overall=35.02 ]", ""}}, 
   {366.1426, 1.5676208, "Meta"} -> {{228042, 243280, 168184}, {"", ""}}, 
   {157.11, 1.5776898, "Meta"} -> {{84899, 74568, 73268}, 
     {"Tranexamic acid [ C8 H15 N O2, db=74.57, overall=37.29, KEGG \
ID=C12535, CAS ID=1197-18-8 ]", "1197-18-8"}}, 
   {219.1104, 1.6220001, "Meta"} -> {{56585, 1, 40262}, 
     {"Pantothenic Acid [ C9 H17 N O5, db=55.18, overall=27.59, KEGG ID=, CAS \
ID=137-08-6 ]", "137-08-6"}}, {260.1369, 1.7801199, "Meta"} -> 
    {{1, 136375, 154324}, 
     {"Glu Leu [ C11 H20 N2 O5, db=77.86, overall=38.93 ]", ""}}, 
   {208.0161, 1.9748787, "Meta"} -> {{165973, 74302, 128884}, {"", ""}}, 
   {260.1368, 1.9889677, "Meta"} -> {{125220, 1, 134669}, 
     {"Glu Leu [ C11 H20 N2 O5, db=90.71, overall=45.35 ]", ""}}, 
   {131.0368, 2.0663033, "Meta"} -> {{387613, 421982, 444566}, {"", ""}}, 
   {613.3187, 2.414278, "Meta"} -> {{168252, 110365, 187625}, {"", ""}}, 
   {294.1216, 2.470125, "Meta"} -> {{39841, 41194, 33368}, 
     {"Aspartame [ C14 H18 N2 O5, db=72.39, overall=36.19, HMP ID=HMDB01894, \
KEGG ID= ]", ""}}, {245.1627, 2.565185, "Meta"} -> 
    {{1, 478596, 428761}, {"2-Methylbutyroylcarnitine [ C12 H23 N O4, \
db=86.34, overall=43.17, HMP ID=HMDB00378, KEGG ID= ]", ""}}, 
   {246.1366, 2.6443236, "Meta"} -> {{324859, 256998, 266693}, {"", ""}}, 
   {159.1255, 2.8531144, "Meta"} -> {{489061, 391967, 435564}, 
     {"DL-2-Aminooctanoic acid [ C8 H17 N O2, db=83.22, overall=41.61, HMP \
ID=HMDB00991, KEGG ID= ]", ""}}, {294.2798, 2.8666072, "Meta"} -> 
    {{41623, 89889, 87683}, {"", ""}}, {129.1512, 2.8755276, "Meta"} -> 
    {{7146410, 1.07*^7, 6962130}, {"", ""}}, {179.0578, 2.9460568, "Meta"} -> 
    {{1, 399182, 254167}, {"5,8-Dihydroxy-3,4-dihydrocarbostyril [ C9 H9 N \
O3, db=94.87, overall=47.43, KEGG ID=, CAS ID=59430-56-7 ]", "59430-56-7"}}, 
   {457.2172, 3.21976, "Meta"} -> {{1, 1, 1}, 
     {"Leu Tyr Tyr [ C24 H31 N3 O6, db=60.12, overall=30.06 ]", ""}}, 
   {113.0839, 3.4427686, "Meta"} -> {{56399, 98312, 125011}, {"", ""}}, 
   {457.2171, 3.449129, "Meta"} -> {{1, 1, 35988}, 
     {"Leu Tyr Tyr [ C24 H31 N3 O6, db=66.31, overall=33.16 ]", ""}}, 
   {353.0194, 3.4831946, "Meta"} -> {{76038, 63462, 56786}, 
     {"H 152/66 [ C16 H13 Cl2 N O4, db=34.19, overall=17.09, KEGG ID=, CAS \
ID=91854-02-3 ]", "91854-02-3"}}, {180.0646, 3.4828331, "Meta"} -> 
    {{1351267, 1184834, 1408868}, {"Paraxanthine [ C7 H8 N4 O2, db=97.04, \
overall=48.52, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {338.0584, 3.4828844, "Meta"} -> {{44035, 1, 45671}, {"", ""}}, 
   {184.1207, 3.5528529, "Meta"} -> {{297384, 245314, 275089}, {"", ""}}, 
   {286.0929, 3.6669033, "Meta"} -> {{288547, 258155, 301590}, 
     {"5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin [ C15 H14 \
N2 O4, db=80.32, overall=40.16, KEGG ID=, CAS ID=28129-90-0 ]", 
      "28129-90-0"}}, {262.1315, 3.6955454, "Meta"} -> 
    {{100457, 88370, 82841}, 
     {"Pro Phe [ C14 H18 N2 O3, db=79.05, overall=39.52 ]", ""}}, 
   {484.3516, 3.714577, "Meta"} -> {{69490, 76808, 67490}, 
     {"(22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimethyl-23,24-tetradehydro-\
20-epivitamin D3 / (22S)-1alph [ C31 H48 O4, db=68.14, overall=34.07, Lipid \
ID=LMST03020487, KEGG ID= ]", ""}}, {264.1109, 3.7114289, "Meta"} -> 
    {{977370, 474177, 997985}, {"", ""}}, {300.9474, 3.7771254, "Meta"} -> 
    {{60152, 35269, 37631}, {"", ""}}, {285.9843, 3.784971, "Meta"} -> 
    {{144384, 121060, 105347}, {"", ""}}, {406.0258, 3.779679, "Meta"} -> 
    {{69657, 40728, 67884}, {"", ""}}, {346.0054, 3.7820883, "Meta"} -> 
    {{291301, 231418, 233287}, {"", ""}}, {390.0608, 3.9207745, "Meta"} -> 
    {{61872, 39176, 44472}, {"", ""}}, {194.1056, 3.9298828, "Meta"} -> 
    {{118234, 85921, 96067}, {"3-Hydroxy-N-glycyl-2,6-xylidine \
(3-Hydroxyglycinexylidide) [ C10 H14 N2 O2, db=79.20, overall=39.60, KEGG \
ID=, CAS ID=112606-87-8 ]", "112606-87-8"}}, {123.0431, 3.9404666, "Meta"} -> 
    {{73107, 1, 76074}, {"Pyrazinamide [ C5 H5 N3 O, db=73.22, overall=36.61, \
KEGG ID=C01956, CAS ID=98-96-4 ]", "98-96-4"}}, 
   {180.0647, 3.9408891, "Meta"} -> {{3376324, 3115870, 3359206}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=98.66, overall=49.33, KEGG ID=, CAS \
ID=611-59-6 ]", "611-59-6"}}, {353.02, 3.9439723, "Meta"} -> 
    {{59600, 48778, 43942}, {"H 152/66 [ C16 H13 Cl2 N O4, db=40.19, \
overall=20.09, KEGG ID=, CAS ID=91854-02-3 ]", "91854-02-3"}}, 
   {338.06, 3.9440384, "Meta"} -> {{30440, 28883, 31531}, 
     {"1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide (AICAR) [ C9 H15 \
N4 O8 P, db=56.82, overall=28.41, KEGG ID=C04677, CAS ID=3031-94-5 ]", 
      "3031-94-5"}}, {282.0003, 4.0873055, "Meta"} -> 
    {{243617, 210354, 214245}, {"", ""}}, {244.1785, 4.1058927, "Meta"} -> 
    {{59190, 1, 53512}, 
     {"Leu Leu [ C12 H24 N2 O3, db=80.30, overall=40.15 ]", ""}}, 
   {315.2042, 4.138722, "Meta"} -> {{271476, 199117, 296677}, {"", ""}}, 
   {180.0646, 4.184583, "Meta"} -> {{1058895, 905600, 1050773}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=96.10, overall=48.05, KEGG ID=, CAS \
ID=611-59-6 ]", "611-59-6"}}, {196.1205, 4.4604373, "Meta"} -> 
    {{37653, 34347, 42756}, {"", ""}}, {259.1781, 4.5265555, "Meta"} -> 
    {{52140, 52040, 1}, {"L-Glutamic acid dibutyl ester [ C13 H25 N O4, \
db=69.80, overall=34.90, KEGG ID=, CAS ID=4261-76-1 ]", "4261-76-1"}}, 
   {278.1625, 4.5463552, "Meta"} -> {{26442, 25345, 28913}, 
     {"Phe Leu [ C15 H22 N2 O3, db=77.05, overall=38.53 ]", ""}}, 
   {196.1206, 4.620389, "Meta"} -> {{147468, 102563, 115553}, {"", ""}}, 
   {145.0523, 4.6313715, "Meta"} -> {{151301, 176091, 173104}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=73.77, overall=36.88, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {221.0685, 4.632059, "Meta"} -> 
    {{60206, 58035, 54110}, {"5-Carboxymethoxy-3,4-dihydrocarbostyril [ C11 \
H11 N O4, db=64.45, overall=32.22, KEGG ID=, CAS ID=58898-50-3 ]", 
      "58898-50-3"}}, {399.1795, 4.9157567, "Meta"} -> 
    {{48784, 41738, 43256}, 
     {"Tyr Ala Phe [ C21 H25 N3 O5, db=71.49, overall=35.75 ]", ""}}, 
   {185.1049, 4.9669666, "Meta"} -> {{1, 1, 1}, {"Ecgonine [ C9 H15 N O3, \
db=77.31, overall=38.66, KEGG ID=, CAS ID=481-37-8 ]", "481-37-8"}}, 
   {649.3074, 5.013072, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {278.163, 5.0759177, "Meta"} -> {{101124, 86703, 95346}, 
     {"Phe Leu [ C15 H22 N2 O3, db=99.27, overall=49.64 ]", ""}}, 
   {535.2641, 5.1008615, "Meta"} -> {{18409, 16559, 17959}, {"", ""}}, 
   {904.4772, 5.3270283, "Meta"} -> {{780489, 661584, 673310}, {"", ""}}, 
   {145.0523, 5.4314723, "Meta"} -> {{179277, 178676, 230613}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=84.42, overall=42.21, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {129.0576, 5.434444, "Meta"} -> 
    {{418834, 389259, 463978}, {"", ""}}, {273.0317, 5.4347143, "Meta"} -> 
    {{33532, 25522, 21124}, {"", ""}}, {175.0629, 5.4345837, "Meta"} -> 
    {{408556, 295761, 271280}, {"3-Indoleacetic Acid [ C10 H9 N O2, db=84.76, \
overall=42.38, KEGG ID=C00954, CAS ID=87-51-4 ]", "87-51-4"}}, 
   {163.063, 5.4345, "Meta"} -> {{38546, 1, 39126}, 
     {"p-Acetaminobenzaldehyde [ C9 H9 N O2, db=64.35, overall=32.17, KEGG \
ID=, CAS ID=122-85-0 ]", "122-85-0"}}, {317.1736, 5.4687505, "Meta"} -> 
    {{1, 1, 1}, {"Leu Trp [ C17 H23 N3 O3, db=81.63, overall=40.81 ]", ""}}, 
   {780.393, 5.47776, "Meta"} -> {{261019, 221336, 240244}, 
     {"25-O-Desacetylrifampin [ C41 H56 N4 O11, db=84.35, overall=42.18, KEGG \
ID=, CAS ID=16783-99-6 ]", "16783-99-6"}}, {506.2009, 5.4841557, "Meta"} -> 
    {{27140, 1, 28513}, {"", ""}}, {351.1581, 5.5261106, "Meta"} -> 
    {{383108, 305864, 326857}, 
     {"Trp Phe [ C20 H21 N3 O3, db=99.58, overall=49.79 ]", ""}}, 
   {462.2364, 5.543243, "Meta"} -> {{24776, 20869, 20856}, {"", ""}}, 
   {119.0735, 5.541345, "Meta"} -> {{1, 1, 140373}, {"", ""}}, 
   {312.1467, 5.5432773, "Meta"} -> {{5743961, 5033360, 5449360}, 
     {"Phe Phe [ C18 H20 N2 O3, db=95.14, overall=47.57 ]", ""}}, 
   {112.0524, 5.5669603, "Meta"} -> {{1, 1, 1}, {"3,5-hexadienoic acid [ C6 \
H8 O2, db=60.24, overall=30.12, Lipid ID=, KEGG ID= ]", ""}}, 
   {415.2207, 5.670666, "Meta"} -> {{22092, 15715, 1}, 
     {"Phe Leu His [ C21 H29 N5 O4, db=66.52, overall=33.26 ]", ""}}, 
   {145.0523, 5.7114286, "Meta"} -> {{51885, 37831, 42550}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=58.30, overall=29.15, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {470.2164, 5.740111, "Meta"} -> 
    {{156239, 137130, 155424}, {"", ""}}, {486.1287, 5.7655144, "Meta"} -> 
    {{32634, 23641, 27705}, {"", ""}}, {814.2692, 5.7653933, "Meta"} -> 
    {{21066, 14071, 20744}, {"", ""}}, {352.0723, 5.766555, "Meta"} -> 
    {{164058, 138119, 152434}, {"Griseofulvin [ C17 H17 Cl O6, db=62.45, \
overall=31.22, KEGG ID=C06686, CAS ID=126-07-8 ]", "126-07-8"}}, 
   {561.114, 5.765363, "Meta"} -> {{24376, 14256, 15593}, {"", ""}}, 
   {367.0347, 5.766611, "Meta"} -> {{164791, 124770, 124514}, 
     {"H 167/87 [ C17 H15 Cl2 N O4, db=30.19, overall=15.10, KEGG ID=, CAS \
ID=91854-01-2 ]", "91854-01-2"}}, {137.0587, 5.7666464, "Meta"} -> 
    {{157569, 138598, 137943}, {"Isoniazid [ C6 H7 N3 O, db=85.82, \
overall=42.91, KEGG ID=C07054, CAS ID=54-85-3 ]", "54-85-3"}}, 
   {680.2204, 5.7653627, "Meta"} -> {{32537, 22125, 30020}, {"", ""}}, 
   {194.0796, 5.7665, "Meta"} -> {{1.24*^7, 9838127, 1.12*^7}, 
     {"D-Glucoside [ C7 H14 O6, db=97.63, overall=48.82, HMP ID=HMDB03570, \
KEGG ID= ]", ""}}, {292.0482, 5.7668047, "Meta"} -> 
    {{66073, 60121, 62375}, {"", ""}}, {427.0664, 5.7660594, "Meta"} -> 
    {{31547, 24766, 22345}, {"", ""}}, {308.021, 5.7663703, "Meta"} -> 
    {{23460, 24897, 18615}, {"", ""}}, {336.0987, 5.766, "Meta"} -> 
    {{22367, 1, 23168}, {"", ""}}, {339.0394, 5.7657404, "Meta"} -> 
    {{20274, 1, 1}, {"", ""}}, {276.0943, 5.767443, "Meta"} -> 
    {{177189, 154779, 171949}, 
     {"Glu Glu [ C10 H16 N2 O7, db=91.86, overall=45.93 ]", ""}}, 
   {546.167, 5.766311, "Meta"} -> {{37113, 28707, 35241}, {"", ""}}, 
   {82.0146, 5.7676473, "Meta"} -> {{329136, 285754, 316601}, {"", ""}}, 
   {450.2112, 6.0146294, "Meta"} -> {{20264, 1, 15395}, {"", ""}}, 
   {598.3831, 6.149971, "Meta"} -> {{110962, 84750, 44071}, {"", ""}}, 
   {210.1363, 6.1674, "Meta"} -> {{187240, 143966, 295812}, {"", ""}}, 
   {1076.5251, 6.1918607, "Meta"} -> {{449107, 387165, 436195}, {"", ""}}, 
   {285.1937, 6.2077217, "Meta"} -> {{394814, 430558, 161322}, {"", ""}}, 
   {413.1947, 6.402389, "Meta"} -> {{488861, 414278, 448295}, 
     {"Phe Phe Thr [ C22 H27 N3 O5, db=96.85, overall=48.42 ]", ""}}, 
   {210.1363, 6.4091425, "Meta"} -> {{1, 153701, 153360}, {"", ""}}, 
   {171.1256, 6.4184237, "Meta"} -> {{364999, 1, 1}, 
     {"Gabapentin [ C9 H17 N O2, db=89.41, overall=44.71, KEGG ID=C07018, CAS \
ID=60142-96-3 ]", "60142-96-3"}}, {225.134, 6.4274607, "Meta"} -> 
    {{224263, 1, 174565}, {"", ""}}, {464.2267, 6.4558063, "Meta"} -> 
    {{11846, 1, 1}, {"", ""}}, {636.2752, 6.4700866, "Meta"} -> 
    {{50270, 46104, 47752}, 
     {" [ C34 H40 N2 O10, db=0.00, overall=30.97, mfg=61.94 ]", ""}}, 
   {401.8564, 6.4737997, "Meta"} -> {{66502, 81025, 55297}, {"", ""}}, 
   {1205.5684, 6.4744167, "Meta"} -> {{933778, 1102697, 722990}, {"", ""}}, 
   {650.291, 6.4855704, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1072.4163, 6.52011, "Meta"} -> {{35057, 32190, 28222}, {"", ""}}, 
   {1019.5046, 6.519862, "Meta"} -> {{1447352, 1313827, 1349282}, {"", ""}}, 
   {339.8352, 6.519917, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {370.2202, 6.5523853, "Meta"} -> {{1, 1, 13010}, {"", ""}}, 
   {393.1896, 6.6016774, "Meta"} -> {{1, 1, 1}, 
     {"Phe Leu Asp [ C19 H27 N3 O6, db=93.55, overall=46.78 ]", ""}}, 
   {1262.5898, 6.6459446, "Meta"} -> {{903253, 781963, 840134}, {"", ""}}, 
   {748.3746, 6.6664577, "Meta"} -> {{68563, 58046, 64428}, {"", ""}}, 
   {467.5117, 6.6833715, "Meta"} -> {{35927, 27128, 23736}, {"", ""}}, 
   {449.8743, 6.681861, "Meta"} -> {{143445, 117269, 125939}, {"", ""}}, 
   {1349.622, 6.682221, "Meta"} -> {{1135710, 1055562, 1067621}, {"", ""}}, 
   {462.5233, 6.6829696, "Meta"} -> {{68643, 57521, 55845}, {"", ""}}, 
   {467.8464, 6.68125, "Meta"} -> {{25909, 22560, 17191}, {"", ""}}, 
   {457.2013, 6.682588, "Meta"} -> {{24433, 24352, 23541}, {"", ""}}, 
   {1076.5258, 6.7304854, "Meta"} -> {{16046, 1, 13263}, {"", ""}}, 
   {298.1418, 6.74896, "Meta"} -> {{72605, 66271, 14996}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=73.54, overall=36.77, \
KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {1200.5566, 6.7732415, "Meta"} -> {{113387, 87557, 100410}, {"", ""}}, 
   {741.297, 6.7771387, "Meta"} -> {{50924, 38753, 41874}, {"", ""}}, 
   {189.0785, 6.956638, "Meta"} -> {{239282, 175188, 135530}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=94.09, overall=47.05, HMP \
ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {429.2361, 6.977999, "Meta"} -> {{88496, 62753, 36681}, 
     {"Pro Trp Lys [ C22 H31 N5 O4, db=90.19, overall=45.09 ]", ""}}, 
   {260.0935, 7.0326056, "Meta"} -> {{42098, 78836, 38005}, 
     {"Furafylline [ C12 H12 N4 O3, db=57.24, overall=28.62, KEGG ID=, CAS \
ID=80288-49-9 ]", "80288-49-9"}}, {179.1517, 7.0339313, "Meta"} -> 
    {{1, 58148, 1}, {"", ""}}, {162.1254, 7.032972, "Meta"} -> 
    {{833528, 841933, 857456}, {"", ""}}, {386.884, 7.089772, "Meta"} -> 
    {{58153, 141038, 35126}, {"", ""}}, {339.9438, 7.090166, "Meta"} -> 
    {{93368, 163162, 71220}, {"", ""}}, {165.9783, 7.0914993, "Meta"} -> 
    {{1, 230754, 1}, {"", ""}}, {324.978, 7.0900297, "Meta"} -> 
    {{21606, 65679, 16176}, {"", ""}}, {389.8912, 7.089734, "Meta"} -> 
    {{20858, 53535, 1}, {"", ""}}, {554.8763, 7.0902586, "Meta"} -> 
    {{215150, 578621, 116315}, {"", ""}}, {590.8546, 7.090121, "Meta"} -> 
    {{1, 188650, 1}, {"", ""}}, {166.9861, 7.0904727, "Meta"} -> 
    {{3105979, 6842680, 2566112}, {"", ""}}, {280.9265, 7.090501, "Meta"} -> 
    {{82563, 150304, 1}, {"", ""}}, {264.9547, 7.0911846, "Meta"} -> 
    {{1, 43343, 1}, {"", ""}}, {395.8936, 7.0915, "Meta"} -> 
    {{53414, 87466, 39572}, {"", ""}}, {431.8628, 7.0915837, "Meta"} -> 
    {{1, 44017, 1}, {"", ""}}, {624.9684, 7.1091247, "Meta"} -> 
    {{1, 22566, 1}, {"", ""}}, {534.1705, 7.1183324, "Meta"} -> 
    {{19326, 13901, 14655}, {"", ""}}, {354.0646, 7.1213336, "Meta"} -> 
    {{63475, 49201, 57688}, {"", ""}}, {238.0838, 7.121195, "Meta"} -> 
    {{671010, 560568, 632585}, {"Propanoic acid, \
2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- [ C12 H14 O5, db=99.24, \
overall=49.62, KEGG ID=, CAS ID=53564-64-0 ]", "53564-64-0"}}, 
   {278.0763, 7.119251, "Meta"} -> {{319224, 306074, 323743}, {"", ""}}, 
   {351.0169, 7.127134, "Meta"} -> {{42705, 27996, 30001}, {"", ""}}, 
   {1560.7216, 7.157438, "Meta"} -> {{51010, 43582, 41373}, {"", ""}}, 
   {941.4612, 7.1827216, "Meta"} -> {{149756, 114579, 121203}, {"", ""}}, 
   {299.2095, 7.264514, "Meta"} -> {{71292, 64694, 66129}, {"", ""}}, 
   {270.1572, 7.337296, "Meta"} -> {{72423, 40805, 67859}, {"", ""}}, 
   {280.1885, 7.331959, "Meta"} -> {{44133, 39369, 1}, {"", ""}}, 
   {361.1425, 7.353097, "Meta"} -> {{26335, 25181, 19047}, 
     {"N-Acetylnorfloxacin [ C18 H20 F N3 O4, db=74.33, overall=37.17, KEGG \
ID=, CAS ID=74011-56-6 ]", "74011-56-6"}}, {309.194, 7.3625283, "Meta"} -> 
    {{267053, 246665, 154396}, {"Nadolol [ C17 H27 N O4, db=98.01, \
overall=49.00, KEGG ID=C07249, CAS ID=42200-33-9 ]", "42200-33-9"}}, 
   {920.4221, 7.436666, "Meta"} -> {{43083, 30447, 52918}, {"", ""}}, 
   {287.2094, 7.4803905, "Meta"} -> {{309689, 314973, 150735}, 
     {"O-octanoyl-R-carnitine [ C15 H29 N O4, db=84.96, overall=42.48, Lipid \
ID=, KEGG ID=C02838 ]", ""}}, {206.1518, 7.485084, "Meta"} -> 
    {{43627, 87208, 119718}, {"", ""}}, {174.0887, 7.533999, "Meta"} -> 
    {{319420, 407476, 352636}, {"2-Propylglutaric acid [ C8 H14 O4, db=96.02, \
overall=48.01, KEGG ID=, CAS ID=32806-62-5 ]", "32806-62-5"}}, 
   {142.0625, 7.5357056, "Meta"} -> {{52866, 110339, 114314}, 
     {"7-hydroxy-5-heptynoic acid [ C7 H10 O3, db=91.50, overall=45.75, Lipid \
ID=, KEGG ID= ]", ""}}, {833.3582, 7.620576, "Meta"} -> 
    {{381947, 318005, 344585}, {"", ""}}, {182.0914, 7.628904, "Meta"} -> 
    {{94484, 70887, 95045}, {"Dacarbazine [ C6 H10 N6 O, db=63.87, \
overall=31.94, KEGG ID=C06936, CAS ID=4342-03-4 ]", "3/4/42"}}, 
   {1389.6527, 7.619026, "Meta"} -> {{209733, 112372, 260096}, {"", ""}}, 
   {170.1415, 7.7676864, "Meta"} -> {{62578, 69229, 86367}, {"", ""}}, 
   {1193.519, 7.7542224, "Meta"} -> {{88819, 85047, 102510}, {"", ""}}, 
   {318.1216, 7.8365397, "Meta"} -> {{17618, 14916, 17771}, 
     {"Fluvoxamine acid [ C14 H17 F3 N2 O3, db=57.11, overall=28.55, KEGG \
ID=, CAS ID=84692-89-7 ]", "84692-89-7"}}, {432.8377, 7.851473, "Meta"} -> 
    {{34617, 22399, 31731}, {"", ""}}, {433.1729, 7.8523235, "Meta"} -> 
    {{30116, 1, 21457}, {"", ""}}, {1245.5992, 7.851389, "Meta"} -> 
    {{2253660, 1474907, 2346609}, {"", ""}}, {415.2002, 7.8513994, "Meta"} -> 
    {{174787, 136244, 195258}, {"", ""}}, {428.1836, 7.8517575, "Meta"} -> 
    {{1, 35496, 52915}, 
     {"Ser Trp His [ C20 H24 N6 O5, db=49.60, overall=24.80 ]", ""}}, 
   {1298.5118, 7.8517423, "Meta"} -> {{69321, 57129, 74387}, {"", ""}}, 
   {863.401, 7.871555, "Meta"} -> {{105571, 121266, 114940}, {"", ""}}, 
   {916.3146, 7.8727407, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {189.0785, 7.8873053, "Meta"} -> {{78089, 57082, 61482}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=68.09, overall=34.05, HMP \
ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {185.1414, 7.8914566, "Meta"} -> {{104103, 172684, 163568}, 
     {"N-methyl-Gabapentin [ C10 H19 N O2, db=74.42, overall=37.21, KEGG ID=, \
CAS ID=102937-74-6 ]", "102937-74-6"}}, {208.0732, 8.064808, "Meta"} -> 
    {{1, 1, 1}, {"2,5-Dimethoxycinnamic acid [ C11 H12 O4, db=79.88, \
overall=39.94, HMP ID=HMDB02370, KEGG ID= ]", ""}}, 
   {318.1217, 8.112399, "Meta"} -> {{20286, 23714, 27501}, 
     {"Fluvoxamine acid [ C14 H17 F3 N2 O3, db=51.04, overall=25.52, KEGG \
ID=, CAS ID=84692-89-7 ]", "84692-89-7"}}, {186.1189, 8.142306, "Meta"} -> 
    {{151404, 244829, 233765}, {"", ""}}, {415.3079, 8.180323, "Meta"} -> 
    {{56773, 42647, 52939}, {"", ""}}, {301.2252, 8.18464, "Meta"} -> 
    {{167676, 146408, 147794}, {"", ""}}, {210.0888, 8.229969, "Meta"} -> 
    {{48111, 1, 33434}, {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 \
O4, db=76.31, overall=38.15, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {619.2852, 8.249543, "Meta"} -> {{35091, 21864, 35515}, 
     {" [ C34 H41 N3 O8, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {301.2252, 8.364499, "Meta"} -> {{144931, 124816, 126415}, {"", ""}}, 
   {224.1042, 8.49708, "Meta"} -> {{55871, 44794, 53956}, {"", ""}}, 
   {222.0865, 8.595155, "Meta"} -> {{37185, 31064, 32871}, {"", ""}}, 
   {538.2428, 8.63658, "Meta"} -> {{12074, 1, 14126}, {"", ""}}, 
   {289.1346, 8.648037, "Meta"} -> {{107297, 83163, 58676}, {"", ""}}, 
   {332.1369, 8.648942, "Meta"} -> {{122594, 148451, 301880}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=83.61, \
overall=41.80, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {247.1604, 8.659072, "Meta"} -> {{155266, 134691, 144563}, {"", ""}}, 
   {1395.5562, 8.677833, "Meta"} -> {{3178753, 2603577, 3628888}, {"", ""}}, 
   {1237.4865, 8.679944, "Meta"} -> {{587320, 466173, 648463}, {"", ""}}, 
   {1290.4019, 8.679688, "Meta"} -> {{42983, 39519, 35145}, {"", ""}}, 
   {1059.5352, 8.717444, "Meta"} -> {{122039, 49638, 141723}, {"", ""}}, 
   {201.1364, 8.713065, "Meta"} -> {{133389, 118546, 135914}, 
     {"Capryloylglycine [ C10 H19 N O3, db=67.21, overall=33.61, HMP \
ID=HMDB00832, KEGG ID= ]", ""}}, {302.1881, 8.721181, "Meta"} -> 
    {{91426, 70978, 91687}, {"2-Methoxyestradiol [ C19 H26 O3, db=78.62, \
overall=39.31, HMP ID=HMDB00405, KEGG ID= ]", ""}}, 
   {496.2306, 8.726456, "Meta"} -> {{160835, 138498, 146444}, {"", ""}}, 
   {594.2002, 8.727458, "Meta"} -> {{36103, 27685, 28773}, {"", ""}}, 
   {332.1369, 8.780612, "Meta"} -> {{470032, 587059, 1000940}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=85.03, \
overall=42.52, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {430.1107, 8.796733, "Meta"} -> {{24223, 30530, 50825}, {"", ""}}, 
   {300.1108, 8.80197, "Meta"} -> {{110895, 150111, 252182}, {"", ""}}, 
   {313.2252, 8.7906, "Meta"} -> {{449062, 453799, 269576}, {"", ""}}, 
   {286.2617, 8.82916, "Meta"} -> {{39333, 46045, 44055}, {"", ""}}, 
   {346.1526, 8.849605, "Meta"} -> {{27565, 41476, 58060}, {"", ""}}, 
   {215.1519, 8.867749, "Meta"} -> {{125589, 106216, 131638}, {"", ""}}, 
   {224.1021, 8.969444, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {223.1208, 8.969972, "Meta"} -> {{52945, 45844, 54164}, 
     {"Rimiterol [ C12 H17 N O3, db=47.61, overall=23.81, KEGG ID=, CAS \
ID=32953-89-2 ]", "32953-89-2"}}, {196.1092, 8.977416, "Meta"} -> 
    {{30120, 35315, 40601}, {"Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- [ \
C11 H16 O3, db=59.23, overall=29.61, KEGG ID=, CAS ID=64111-04-2 ]", 
      "64111-04-2"}}, {253.165, 9.127285, "Meta"} -> 
    {{213920, 201491, 195341}, {"", ""}}, {199.157, 9.126751, "Meta"} -> 
    {{554629, 534019, 530321}, {"", ""}}, {1089.4962, 9.145666, "Meta"} -> 
    {{158125, 86349, 186104}, {"", ""}}, {346.1526, 9.17123, "Meta"} -> 
    {{17171, 26697, 46539}, {"", ""}}, {181.1102, 9.210125, "Meta"} -> 
    {{116538, 91283, 98620}, {"2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- \
Metabolite [ C10 H15 N O2, db=76.98, overall=38.49, KEGG ID=, CAS ID= ]", 
      ""}}, {382.2563, 9.247962, "Meta"} -> {{1, 1, 79932}, 
     {"C17 Sphingosine-1-phosphate [ C17 H39 N2 O5 P, db=59.88, \
overall=29.94, Lipid ID=LMSP01040004, KEGG ID= ]", ""}}, 
   {592.3259, 9.304143, "Meta"} -> {{16931, 11234, 16582}, {"", ""}}, 
   {298.1321, 9.309667, "Meta"} -> {{28488, 23719, 43450}, {"", ""}}, 
   {411.1791, 9.316696, "Meta"} -> {{22196, 22076, 37564}, 
     {"Tyr Val Met [ C19 H29 N3 O5 S, db=58.11, overall=29.06 ]", ""}}, 
   {332.1369, 9.345439, "Meta"} -> {{30961, 46424, 61930}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=61.66, \
overall=30.83, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {189.1184, 9.360473, "Meta"} -> {{51249, 76694, 159757}, {"", ""}}, 
   {211.1571, 9.3698, "Meta"} -> {{60736, 52965, 50846}, {"", ""}}, 
   {196.1076, 9.373194, "Meta"} -> {{1, 191894, 143178}, {"", ""}}, 
   {343.2259, 9.375806, "Meta"} -> {{34587, 20871, 40211}, 
     {"dibucaine [ C20 H29 N3 O2, db=78.46, overall=39.23, KEGG ID=, CAS \
ID=85-79-0 ]", "85-79-0"}}, {594.3415, 9.429972, "Meta"} -> 
    {{50668, 39873, 51491}, {"L-Urobilin [ C33 H46 N4 O6, db=97.19, \
overall=48.59, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {202.1203, 9.477693, "Meta"} -> {{55285, 49551, 60501}, 
     {"sebacic acid [ C10 H18 O4, db=70.07, overall=35.04, KEGG ID=C08277, \
CAS ID=111-20-6 ]", "111-20-6"}}, {254.1153, 9.500695, "Meta"} -> 
    {{234546, 190258, 230997}, {"methyl \
4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ C13 H18 O5, \
db=77.56, overall=38.78, Lipid ID=, KEGG ID= ]", ""}}, 
   {640.2432, 9.499125, "Meta"} -> {{15266, 14194, 13559}, 
     {"5-Methyltetrahydropteroyltri-L-glutamate [ C25 H36 N8 O12, db=61.28, \
overall=30.64, KEGG ID=C04489, CAS ID= ]", ""}}, 
   {564.2544, 9.498889, "Meta"} -> {{50628, 46815, 50925}, {"", ""}}, 
   {330.2192, 9.5008, "Meta"} -> {{28066, 37087, 1}, 
     {"Gestodene metabolite 2 [ C21 H30 O3, db=68.18, overall=34.09, KEGG \
ID=, CAS ID= ]", ""}}, {262.12, 9.519543, "Meta"} -> 
    {{104231, 79153, 90845}, {"Artemisin [ C15 H18 O4, db=68.17, \
overall=34.08, Lipid ID=LMPR01030020, KEGG ID=C09344 ]", ""}}, 
   {264.1357, 9.516806, "Meta"} -> {{311737, 265236, 259227}, {"", ""}}, 
   {327.2406, 9.530406, "Meta"} -> {{125201, 130318, 54341}, {"", ""}}, 
   {463.184, 9.53997, "Meta"} -> {{337324, 281900, 303616}, 
     {"Ritodrine glucuronide [ C23 H29 N O9, db=95.20, overall=47.60, KEGG \
ID=, CAS ID=129464-58-0 ]", "129464-58-0"}}, {273.1762, 9.569387, "Meta"} -> 
    {{226382, 186474, 210917}, {"", ""}}, {327.2405, 9.610461, "Meta"} -> 
    {{153289, 141424, 127981}, {"", ""}}, {273.1762, 9.6855, "Meta"} -> 
    {{158428, 122030, 152137}, {"", ""}}, {360.1935, 9.683611, "Meta"} -> 
    {{104332, 85174, 94754}, {"Aldosterone [ C21 H28 O5, db=80.00, \
overall=40.00, KEGG ID=, CAS ID=52-39-1 ]", "52-39-1"}}, 
   {238.1201, 9.702206, "Meta"} -> {{259162, 18956, 122309}, {"", ""}}, 
   {520.202, 9.758688, "Meta"} -> {{15469, 1, 15986}, {"", ""}}, 
   {422.2412, 9.75828, "Meta"} -> {{166089, 134607, 139810}, {"", ""}}, 
   {362.2091, 9.759223, "Meta"} -> {{409357, 349512, 371742}, 
     {"20alpha-Dihydroprednisolone [ C21 H30 O5, db=80.45, overall=40.22, \
KEGG ID=, CAS ID=15847-24-2 ]", "15847-24-2"}}, 
   {346.214, 9.791315, "Meta"} -> {{28276, 25561, 29648}, 
     {"Corticosterone [ C21 H30 O4, db=61.19, overall=30.59, HMP \
ID=HMDB01547, KEGG ID= ]", ""}}, {638.2274, 9.789353, "Meta"} -> 
    {{16504, 1, 15257}, {"", ""}}, {346.1525, 9.793889, "Meta"} -> 
    {{165191, 193912, 256508}, {"", ""}}, {562.2387, 9.788788, "Meta"} -> 
    {{49623, 41995, 43009}, {"", ""}}, {557.2833, 9.790912, "Meta"} -> 
    {{17771, 16459, 22839}, {"", ""}}, {510.2462, 9.815877, "Meta"} -> 
    {{34918, 26144, 33148}, {"", ""}}, {229.1674, 9.85191, "Meta"} -> 
    {{40369, 35676, 45469}, {"", ""}}, {548.2599, 9.858362, "Meta"} -> 
    {{28452, 24198, 23923}, {"", ""}}, {504.2344, 9.858466, "Meta"} -> 
    {{23045, 18844, 1}, {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, \
db=72.48, overall=36.24, KEGG ID=, CAS ID= ]", ""}}, 
   {470.3088, 9.879321, "Meta"} -> {{1, 46205, 1}, {"", ""}}, 
   {550.2021, 9.877315, "Meta"} -> {{25780, 22002, 24028}, {"", ""}}, 
   {346.1525, 9.904173, "Meta"} -> {{151762, 168469, 227858}, {"", ""}}, 
   {238.0238, 9.941334, "Meta"} -> {{70047, 78987, 54214}, {"", ""}}, 
   {396.272, 9.949917, "Meta"} -> {{1, 65584, 1}, {"", ""}}, 
   {352.1786, 9.951111, "Meta"} -> {{78766, 55430, 93697}, {"", ""}}, 
   {244.0709, 9.960057, "Meta"} -> {{52108, 56815, 79327}, 
     {"Uridine [ C9 H12 N2 O6, db=67.18, overall=33.59, KEGG ID=C00299, CAS \
ID=58-96-8 ]", "58-96-8"}}, {238.1185, 9.979892, "Meta"} -> 
    {{21334, 1, 1}, {"", ""}}, {330.1981, 9.977964, "Meta"} -> 
    {{99651, 86633, 86766}, 
     {"Val Arg Gly [ C13 H26 N6 O4, db=57.73, overall=28.86 ]", ""}}, 
   {284.0936, 9.975928, "Meta"} -> {{21609, 17279, 21456}, {"", ""}}, 
   {463.2106, 10.027572, "Meta"} -> {{15027, 11870, 14528}, {"", ""}}, 
   {314.1266, 10.0307455, "Meta"} -> {{113672, 132781, 151594}, {"", ""}}, 
   {314.2933, 10.043069, "Meta"} -> {{43876, 38985, 37439}, {"", ""}}, 
   {285.1574, 10.05632, "Meta"} -> {{41232, 49371, 46304}, 
     {"6,7-Dimethyltetrahydropterin [ C15 H19 N5 O, db=55.04, overall=27.52, \
HMP ID=HMDB02397, KEGG ID= ]", ""}}, {300.1323, 10.061844, "Meta"} -> 
    {{76498, 71715, 1}, {"8-Hydroxypromazine [ C17 H20 N2 O S, db=45.98, \
overall=22.99, KEGG ID=, CAS ID=130349-17-6 ]", "130349-17-6"}}, 
   {356.0424, 10.055119, "Meta"} -> {{115510, 96413, 79109}, {"", ""}}, 
   {758.2462, 10.054517, "Meta"} -> {{484722, 396277, 435702}, {"", ""}}, 
   {524.1633, 10.055028, "Meta"} -> {{113615, 98077, 99431}, {"", ""}}, 
   {338.0701, 10.055571, "Meta"} -> {{492909, 443820, 476186}, 
     {"Asn Cys Cys [ C10 H18 N4 O5 S2, db=69.48, overall=34.74 ]", ""}}, 
   {240.0997, 10.05514, "Meta"} -> {{9439617, 7981945, 7841634}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=99.31, overall=49.66, KEGG ID=, CAS ID=56392-15-5 ]", "56392-15-5"}}, 
   {180.0783, 10.055166, "Meta"} -> {{882590, 769855, 845567}, 
     {"o-Methoxyhydrocinnamic acid [ C10 H12 O3, db=99.04, overall=49.52, \
KEGG ID=, CAS ID= ]", ""}}, {222.0891, 10.055057, "Meta"} -> 
    {{4729108, 4080605, 4473361}, {"2E,4E,8E,10E-Dodecatetraenedioic acid [ \
C12 H14 O4, db=99.63, overall=49.81, Lipid ID=, KEGG ID= ]", ""}}, 
   {773.212, 10.0548, "Meta"} -> {{1, 132998, 140782}, {"", ""}}, 
   {428.1355, 10.05561, "Meta"} -> {{70893, 63534, 72135}, {"", ""}}, 
   {284.0629, 10.055297, "Meta"} -> {{51539, 28552, 33538}, {"", ""}}, 
   {370.0939, 10.056542, "Meta"} -> {{44535, 46528, 46377}, {"", ""}}, 
   {518.1473, 10.055831, "Meta"} -> {{111346, 81131, 357062}, {"", ""}}, 
   {353.0342, 10.055324, "Meta"} -> {{242403, 217284, 187917}, {"", ""}}, 
   {413.0684, 10.055799, "Meta"} -> {{105521, 97661, 97220}, {"", ""}}, 
   {254.1151, 10.055778, "Meta"} -> {{227808, 211343, 228971}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=92.65, overall=46.32, Lipid ID=, KEGG ID= ]", ""}}, 
   {382.1291, 10.055561, "Meta"} -> {{74207, 1, 68726}, 
     {"Asn Phe Cys [ C16 H22 N4 O5 S, db=52.83, overall=26.41 ]", ""}}, 
   {270.1108, 10.057515, "Meta"} -> {{103417, 407817, 460609}, 
     {"Idebenone Metabolite (Benzenebutanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C13 H18 O6, db=87.10, overall=43.55, \
KEGG ID=, CAS ID=95233-52-6 ]", "95233-52-6"}}, 
   {238.0837, 10.05803, "Meta"} -> {{103115, 120651, 145363}, 
     {"Propanoic acid, 2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- [ C12 H14 O5, \
db=79.56, overall=39.78, KEGG ID=, CAS ID=53564-64-0 ]", "53564-64-0"}}, 
   {329.2564, 10.071557, "Meta"} -> {{931341, 821064, 827330}, {"", ""}}, 
   {298.1417, 10.074715, "Meta"} -> {{249906, 200742, 227071}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=61.89, overall=30.94, \
KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {267.1807, 10.080885, "Meta"} -> {{70728, 1, 71601}, 
     {"Metoprolol [ C15 H25 N O3, db=55.81, overall=27.91, KEGG ID=C07202, \
CAS ID=51384-51-1 ]", "51384-51-1"}}, {213.1727, 10.082888, "Meta"} -> 
    {{100937, 153180, 109115}, {"", ""}}, {280.1306, 10.084135, "Meta"} -> 
    {{50908, 40957, 46265}, {"Betaxolol(deaminated) [ C15 H20 O5, db=67.92, \
overall=33.96, KEGG ID=, CAS ID=87549-34-6 ]", "87549-34-6"}}, 
   {324.0999, 10.10015, "Meta"} -> {{80472, 283939, 1}, 
     {"7-Hydroxywarfarin [ C19 H16 O5, db=62.79, overall=31.40, KEGG ID=, CAS \
ID=17834-03-6 ]", "17834-03-6"}}, {542.2723, 10.113879, "Meta"} -> 
    {{18778, 14882, 16286}, {"", ""}}, {226.1503, 10.1374, "Meta"} -> 
    {{28978, 46618, 17698}, {"", ""}}, {564.2545, 10.16625, "Meta"} -> 
    {{42987, 37617, 38774}, {"", ""}}, {157.1461, 10.186832, "Meta"} -> 
    {{203265, 150659, 261963}, {"", ""}}, {776.6856, 10.190693, "Meta"} -> 
    {{126493, 99060, 115505}, {"Thyroxine [ C15 H11 I4 N O4, db=98.31, \
overall=49.15, KEGG ID=C08212, CAS ID=51-48-9 ]", "51-48-9"}}, 
   {275.1915, 10.220444, "Meta"} -> {{275945, 225713, 256408}, {"", ""}}, 
   {258.165, 10.220358, "Meta"} -> {{27618, 18190, 23553}, {"", ""}}, 
   {250.1179, 10.22413, "Meta"} -> {{18663, 23523, 16304}, {"", ""}}, 
   {210.123, 10.228934, "Meta"} -> {{1, 160522, 164710}, {"", ""}}, 
   {346.1381, 10.229135, "Meta"} -> {{41716, 35364, 39909}, {"", ""}}, 
   {286.1097, 10.229067, "Meta"} -> {{42492, 33611, 49573}, 
     {"His Met [ C11 H18 N4 O3 S, db=62.46, overall=31.23 ]", ""}}, 
   {438.1865, 10.251937, "Meta"} -> {{25375, 22462, 24709}, 
     {"Phe Ser Trp [ C23 H26 N4 O5, db=47.42, overall=23.71 ]", ""}}, 
   {254.1509, 10.254307, "Meta"} -> {{30138, 31931, 26566}, {"", ""}}, 
   {222.1614, 10.2523, "Meta"} -> {{42755, 32998, 32501}, {"", ""}}, 
   {272.162, 10.262467, "Meta"} -> {{77543, 75581, 74260}, {"", ""}}, 
   {324.0948, 10.281, "Meta"} -> {{38530, 39119, 31615}, {"", ""}}, 
   {166.0989, 10.282687, "Meta"} -> {{60253, 46838, 55577}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=46.36, overall=23.18, Lipid \
ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, {615.2453, 10.311601, "Meta"} -> 
    {{60163, 43947, 1}, {"", ""}}, {582.2476, 10.3178005, "Meta"} -> 
    {{724096, 624220, 690218}, {"Biliverdin IX [ C33 H34 N4 O6, db=70.82, \
overall=35.41, HMP ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", 
      " 114-25-0"}}, {612.2579, 10.319498, "Meta"} -> 
    {{91321, 31090, 61513}, {"", ""}}, {598.2435, 10.3203745, "Meta"} -> 
    {{67900, 46322, 54301}, {"", ""}}, {580.2318, 10.321624, "Meta"} -> 
    {{129106, 107381, 112077}, {"", ""}}, {302.1078, 10.325857, "Meta"} -> 
    {{18652, 14850, 1}, {"", ""}}, {299.1918, 10.32961, "Meta"} -> 
    {{700897, 602562, 670956}, {"", ""}}, {144.1147, 10.324371, "Meta"} -> 
    {{1, 1, 17383}, {"\207-ethyl caproic acid [ C8 H16 O2, db=81.51, \
overall=40.75, KEGG ID=, CAS ID= ]", ""}}, {489.1998, 10.348856, "Meta"} -> 
    {{64946, 65421, 72425}, {"Terbinafine metabolite glucuronide [ C25 H31 N \
O9, db=76.80, overall=38.40, KEGG ID=, CAS ID= ]", ""}}, 
   {264.0959, 10.353962, "Meta"} -> {{38922, 29804, 1}, {"", ""}}, 
   {319.0784, 10.364562, "Meta"} -> {{1, 23759, 41417}, {"", ""}}, 
   {453.2262, 10.414259, "Meta"} -> {{80008, 48276, 68440}, {"", ""}}, 
   {252.134, 10.437142, "Meta"} -> {{93762, 78448, 81168}, {"", ""}}, 
   {343.2186, 10.472101, "Meta"} -> {{60626, 54732, 60956}, {"", ""}}, 
   {632.2476, 10.46173, "Meta"} -> {{1, 14158, 20950}, {"", ""}}, 
   {314.1266, 10.46791, "Meta"} -> {{28154, 30695, 28961}, {"", ""}}, 
   {245.145, 10.478071, "Meta"} -> {{80643, 74915, 69461}, {"", ""}}, 
   {690.4105, 10.481418, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {492.2092, 10.482031, "Meta"} -> {{24625, 21139, 25935}, {"", ""}}, 
   {416.2284, 10.482223, "Meta"} -> {{106351, 89211, 85302}, 
     {"Ramipril [ C23 H32 N2 O5, db=71.08, overall=35.54, KEGG ID=C07232, CAS \
ID=87333-19-5 ]", "87333-19-5"}}, {356.1961, 10.4823885, "Meta"} -> 
    {{132495, 103094, 114461}, {"", ""}}, {316.2036, 10.483486, "Meta"} -> 
    {{50390, 48642, 55201}, {"Acitretin Ro 23-4293 [ C20 H28 O3, db=83.16, \
overall=41.58, KEGG ID=, CAS ID=121693-28-5 ]", "121693-28-5"}}, 
   {319.218, 10.518692, "Meta"} -> {{51442, 46494, 44150}, {"", ""}}, 
   {250.118, 10.512572, "Meta"} -> {{57652, 51603, 53667}, {"", ""}}, 
   {205.1132, 10.609686, "Meta"} -> {{138444, 152266, 125411}, {"", ""}}, 
   {218.0879, 10.616875, "Meta"} -> {{68460, 78953, 84194}, {"", ""}}, 
   {254.1511, 10.619676, "Meta"} -> {{271207, 238571, 261418}, {"", ""}}, 
   {243.1831, 10.626083, "Meta"} -> {{251942, 237400, 239602}, {"", ""}}, 
   {225.1725, 10.6266775, "Meta"} -> {{1, 46069, 38335}, {"", ""}}, 
   {385.2821, 10.648808, "Meta"} -> {{23263, 22852, 12433}, {"", ""}}, 
   {602.2044, 10.638667, "Meta"} -> {{23683, 21162, 21854}, {"", ""}}, 
   {545.3771, 10.661119, "Meta"} -> {{40867, 1, 1}, {"", ""}}, 
   {325.2075, 10.677681, "Meta"} -> {{36471, 28556, 21715}, {"", ""}}, 
   {173.1233, 10.677229, "Meta"} -> {{117728, 124434, 180563}, {"", ""}}, 
   {171.1619, 10.675749, "Meta"} -> {{107414, 80478, 113466}, {"", ""}}, 
   {301.2074, 10.694365, "Meta"} -> {{156562, 127817, 144659}, {"", ""}}, 
   {286.1105, 10.689359, "Meta"} -> {{21425, 1, 1}, 
     {"Hydroxymelphalan [ C13 H19 Cl N2 O3, db=66.75, overall=33.38, KEGG \
ID=, CAS ID=61733-01-5 ]", "61733-01-5"}}, {346.1349, 10.691233, "Meta"} -> 
    {{17878, 1, 1}, {"", ""}}, {343.2722, 10.704386, "Meta"} -> 
    {{1403281, 1107655, 1253626}, {"Dodecanoylcarnitine [ C19 H37 N O4, \
db=90.71, overall=45.36, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {302.1125, 10.712086, "Meta"} -> {{25408, 22347, 20002}, {"", ""}}, 
   {340.1257, 10.728134, "Meta"} -> {{63114, 47780, 54112}, {"", ""}}, 
   {242.1516, 10.728, "Meta"} -> {{581945, 490936, 536758}, {"", ""}}, 
   {400.1631, 10.728265, "Meta"} -> {{71068, 71726, 78797}, 
     {"N-AcetylCilastatin [ C18 H28 N2 O6 S, db=63.48, overall=31.74, KEGG \
ID=, CAS ID=94388-32-6 ]", "94388-32-6"}}, {331.2723, 10.732485, "Meta"} -> 
    {{47684, 41173, 50221}, {"", ""}}, {252.1335, 10.748029, "Meta"} -> 
    {{19049, 18135, 1}, {"", ""}}, {212.1408, 10.760103, "Meta"} -> 
    {{28669, 24253, 91961}, {"12-oxo-10Z-dodecenoic acid [ C12 H20 O3, \
db=80.89, overall=40.45, Lipid ID=, KEGG ID= ]", ""}}, 
   {239.1884, 10.751323, "Meta"} -> {{18813, 54525, 42398}, {"", ""}}, 
   {226.0562, 10.78225, "Meta"} -> {{70922, 96453, 33795}, {"", ""}}, 
   {367.2718, 10.79603, "Meta"} -> {{348858, 361308, 134724}, {"", ""}}, 
   {262.1177, 10.825701, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {343.2721, 10.835971, "Meta"} -> {{602694, 741334, 1}, 
     {"Dodecanoylcarnitine [ C19 H37 N O4, db=97.12, overall=48.56, HMP \
ID=HMDB02250, KEGG ID= ]", ""}}, {227.1882, 10.834806, "Meta"} -> 
    {{408159, 385051, 370830}, {"", ""}}, {281.1964, 10.834471, "Meta"} -> 
    {{190891, 167442, 161946}, {"", ""}}, {589.4036, 10.839125, "Meta"} -> 
    {{1, 38466, 43943}, {"", ""}}, {316.1647, 10.838167, "Meta"} -> 
    {{35092, 39046, 74745}, {"Gibberellin A9 [ C19 H24 O4, db=60.62, \
overall=30.31, Lipid ID=LMPR01040080, KEGG ID=C11863 ]", ""}}, 
   {594.3588, 10.837862, "Meta"} -> {{61292, 49915, 55536}, {"", ""}}, 
   {346.1531, 10.850415, "Meta"} -> {{21491, 21477, 24189}, {"", ""}}, 
   {360.1682, 10.850501, "Meta"} -> {{49951, 56176, 54352}, {"", ""}}, 
   {328.142, 10.851166, "Meta"} -> {{133022, 160826, 122138}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=71.54, overall=35.77 ]", ""}}, 
   {298.1327, 10.851243, "Meta"} -> {{31110, 24377, 1}, {"", ""}}, 
   {355.272, 10.84606, "Meta"} -> {{1141104, 1129570, 617771}, {"", ""}}, 
   {383.288, 10.873963, "Meta"} -> {{29096, 1, 35914}, {"", ""}}, 
   {388.2436, 10.871462, "Meta"} -> {{62907, 1, 56779}, 
     {"Thr Ile Arg [ C16 H32 N6 O5, db=61.43, overall=30.71 ]", ""}}, 
   {284.1808, 10.88514, "Meta"} -> {{68330, 61933, 53365}, {"", ""}}, 
   {301.2077, 10.885583, "Meta"} -> {{1905620, 1650884, 1751122}, {"", ""}}, 
   {276.1936, 10.92211, "Meta"} -> {{157258, 157648, 144524}, {"", ""}}, 
   {342.3243, 10.933499, "Meta"} -> {{46120, 42896, 49278}, {"", ""}}, 
   {242.1516, 10.939269, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {400.163, 10.940041, "Meta"} -> {{1, 1, 1}, {"N-AcetylCilastatin [ C18 H28 \
N2 O6 S, db=61.45, overall=30.73, KEGG ID=, CAS ID=94388-32-6 ]", 
      "94388-32-6"}}, {287.2463, 10.968501, "Meta"} -> 
    {{84322, 78943, 87717}, {"", ""}}, {498.3417, 10.976148, "Meta"} -> 
    {{36051, 1, 28973}, {"", ""}}, {381.2882, 10.990801, "Meta"} -> 
    {{30536, 30966, 26703}, {"5,6-DiHETrE-EA [ C22 H39 N O4, db=62.62, \
overall=31.31, Lipid ID=LMFA08040029, KEGG ID= ]", ""}}, 
   {431.2308, 10.993176, "Meta"} -> {{25173, 25621, 22561}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=63.44, overall=31.72 ]", ""}}, 
   {414.2039, 10.993806, "Meta"} -> {{139462, 157260, 112282}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=75.35, overall=37.67 ]", ""}}, 
   {616.403, 10.994139, "Meta"} -> {{61709, 48297, 1}, {"", ""}}, 
   {633.4297, 10.99538, "Meta"} -> {{37629, 33643, 33755}, {"", ""}}, 
   {285.9721, 10.995276, "Meta"} -> {{14834, 46690, 20961}, {"", ""}}, 
   {249.1109, 11.002543, "Meta"} -> {{27898, 34418, 37622}, {"", ""}}, 
   {440.2017, 10.997424, "Meta"} -> {{22866, 1, 23971}, 
     {"Phe Gln Phe [ C23 H28 N4 O5, db=38.67, overall=19.34 ]", ""}}, 
   {276.1334, 11.004139, "Meta"} -> {{100914, 91447, 103826}, 
     {"Saccharopine [ C11 H20 N2 O6, db=56.45, overall=28.23, KEGG ID=, CAS \
ID=997-68-2 ]", "997-68-2"}}, {465.3087, 11.014788, "Meta"} -> 
    {{23695, 23813, 1}, {"Cholylglycine [ C26 H43 N O6, db=75.71, \
overall=37.85, KEGG ID=, CAS ID=475-31-0 ]", "475-31-0"}}, 
   {236.1403, 11.007713, "Meta"} -> {{36568, 32855, 38063}, {"", ""}}, 
   {345.2335, 11.036324, "Meta"} -> {{199561, 159565, 174220}, {"", ""}}, 
   {410.2874, 11.06508, "Meta"} -> {{1, 47668, 49766}, {"", ""}}, 
   {402.2185, 11.074946, "Meta"} -> {{34876, 29235, 36880}, 
     {"Trandolaprilat [ C22 H30 N2 O5, db=47.66, overall=23.83, KEGG ID=, CAS \
ID=87679-71-8 ]", "87679-71-8"}}, {276.0972, 11.078914, "Meta"} -> 
    {{154312, 127357, 147962}, 
     {"Glu Glu [ C10 H16 N2 O7, db=71.47, overall=35.73 ]", ""}}, 
   {331.2721, 11.109583, "Meta"} -> {{81654, 84979, 92793}, {"", ""}}, 
   {402.1563, 11.114313, "Meta"} -> {{22706, 44803, 1}, {"", ""}}, 
   {321.215, 11.114806, "Meta"} -> {{299447, 610897, 112754}, {"", ""}}, 
   {304.1884, 11.114723, "Meta"} -> {{783493, 1758941, 290175}, {"", ""}}, 
   {224.0838, 11.132531, "Meta"} -> {{35543, 36128, 36570}, {"", ""}}, 
   {278.0912, 11.133195, "Meta"} -> {{43073, 35309, 33218}, 
     {"Glu Met [ C10 H18 N2 O5 S, db=50.61, overall=25.31 ]", ""}}, 
   {327.223, 11.149416, "Meta"} -> {{380322, 303706, 326539}, 
     {"Levonorgestrel oxime [ C21 H29 N O2, db=60.97, overall=30.49, KEGG \
ID=, CAS ID=53016-31-2 ]", "53016-31-2"}}, {172.1474, 11.181901, "Meta"} -> 
    {{29086, 41871, 84007}, {"3-methyl-nonanoic acid [ C10 H20 O2, db=48.71, \
overall=24.36, Lipid ID=, KEGG ID= ]", ""}}, {238.1544, 11.197818, "Meta"} -> 
    {{112670, 99986, 108673}, {"", ""}}, {265.0592, 11.2015, "Meta"} -> 
    {{150007, 159497, 219355}, {"", ""}}, {256.1671, 11.202999, "Meta"} -> 
    {{79387, 73682, 69995}, {"", ""}}, {331.272, 11.201206, "Meta"} -> 
    {{57131, 21044, 22548}, {"", ""}}, {202.1566, 11.219847, "Meta"} -> 
    {{337058, 334827, 256475}, {"10-hydroxy-undecanoic acid [ C11 H22 O3, \
db=57.60, overall=28.80, Lipid ID=, KEGG ID= ]", ""}}, 
   {357.2877, 11.224555, "Meta"} -> {{828712, 722886, 672286}, {"", ""}}, 
   {287.2463, 11.230424, "Meta"} -> {{49154, 18287, 26743}, {"", ""}}, 
   {286.196, 11.254839, "Meta"} -> {{32737, 21704, 30997}, 
     {"Androstenedione [ C19 H26 O2, db=51.24, overall=25.62, KEGG ID=C00280, \
CAS ID=63-05-8 ]", "63-05-8"}}, {306.1806, 11.240032, "Meta"} -> 
    {{59908, 48423, 59644}, {"Tetranor Iloprost [ C18 H26 O4, db=57.37, \
overall=28.69, KEGG ID=, CAS ID=93220-69-0 ]", "93220-69-0"}}, 
   {303.223, 11.255501, "Meta"} -> {{488819, 404930, 395543}, {"", ""}}, 
   {288.1332, 11.251001, "Meta"} -> {{59609, 43947, 52159}, 
     {"4-Methylumbelliferyl heptanoate [ C17 H20 O4, db=40.76, overall=20.38, \
KEGG ID=, CAS ID=18319-92-1 ]", "18319-92-1"}}, 
   {248.1406, 11.251324, "Meta"} -> {{28984, 22896, 20838}, 
     {"2,4-Pentadienoic acid, \
3-methyl-5-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)- [ C15 H20 O3, db=58.71, \
overall=29.36, KEGG ID=, CAS ID=126624-24-6 ]", "126624-24-6"}}, 
   {358.2326, 11.257731, "Meta"} -> {{43743, 39909, 49743}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=70.59, overall=35.30 ]", ""}}, 
   {717.4275, 11.272499, "Meta"} -> {{98663, 86362, 75121}, {"", ""}}, 
   {587.1718, 11.289588, "Meta"} -> {{21349, 18412, 1}, {"", ""}}, 
   {294.1107, 11.290332, "Meta"} -> {{33778, 27312, 24182}, {"", ""}}, 
   {1280.5605, 11.288729, "Meta"} -> {{19084, 17345, 1}, {"", ""}}, 
   {452.1514, 11.289388, "Meta"} -> {{75847, 60232, 48971}, {"", ""}}, 
   {586.2752, 11.289446, "Meta"} -> {{147754, 169713, 137031}, {"", ""}}, 
   {527.1393, 11.289233, "Meta"} -> {{101758, 1, 58759}, {"", ""}}, 
   {496.1945, 11.289706, "Meta"} -> {{29503, 22805, 18811}, 
     {"Trp Glu Tyr [ C25 H28 N4 O7, db=59.40, overall=29.70 ]", ""}}, 
   {845.4351, 11.289027, "Meta"} -> {{327496, 270043, 194833}, {"", ""}}, 
   {530.1451, 11.290032, "Meta"} -> {{56655, 1, 34899}, 
     {"Ketoconazole [ C26 H28 Cl2 N4 O4, db=59.08, overall=29.54, KEGG \
ID=C07061, CAS ID=65277-42-1 ]", "65277-42-1"}}, 
   {531.2824, 11.290118, "Meta"} -> {{28599, 32774, 25914}, {"", ""}}, 
   {866.3558, 11.289026, "Meta"} -> {{76076, 70474, 44202}, {"", ""}}, 
   {876.3872, 11.289584, "Meta"} -> {{44909, 42529, 27889}, {"", ""}}, 
   {608.2851, 11.289752, "Meta"} -> {{21897, 17858, 1}, 
     {" [ C34 H42 N O9, db=0.00, overall=41.18, mfg=82.37 ]", ""}}, 
   {445.2463, 11.290056, "Meta"} -> {{128139, 121306, 106339}, {"", ""}}, 
   {534.248, 11.289888, "Meta"} -> {{993878, 1037115, 844773}, {"", ""}}, 
   {512.1748, 11.289804, "Meta"} -> {{259720, 249286, 194553}, {"", ""}}, 
   {485.2606, 11.290346, "Meta"} -> {{1, 36294, 33905}, {"", ""}}, 
   {414.2037, 11.289584, "Meta"} -> {{1.21*^7, 1.12*^7, 8571818}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=82.04, overall=41.02 ]", ""}}, 
   {280.131, 11.2896385, "Meta"} -> {{103954, 89762, 82052}, 
     {"Betaxolol(deaminated) [ C15 H20 O5, db=93.07, overall=46.54, KEGG ID=, \
CAS ID=87549-34-6 ]", "87549-34-6"}}, {431.2309, 11.289611, "Meta"} -> 
    {{3841049, 3449468, 2973690}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=83.76, overall=41.88 ]", ""}}, 
   {487.292, 11.2910595, "Meta"} -> {{41713, 34847, 1}, {"", ""}}, 
   {544.1991, 11.289091, "Meta"} -> {{28554, 23164, 24868}, {"", ""}}, 
   {471.2445, 11.291112, "Meta"} -> {{47083, 41515, 30484}, {"", ""}}, 
   {459.2618, 11.289667, "Meta"} -> {{453007, 515589, 415479}, 
     {"Arg Val Trp [ C22 H33 N7 O4, db=83.80, overall=41.90 ]", ""}}, 
   {457.2271, 11.291111, "Meta"} -> {{99916, 82701, 76289}, {"", ""}}, 
   {493.246, 11.289943, "Meta"} -> {{31003, 29455, 23455}, 
     {"Epothilone A [ C26 H39 N O6 S, db=62.97, overall=31.48, Lipid \
ID=LMPK01000045, KEGG ID=C12153 ]", ""}}, {560.2447, 11.289834, "Meta"} -> 
    {{32197, 30214, 32676}, {"Chloramphenicol palmitate [ C27 H42 Cl2 N2 O6, \
db=50.93, overall=25.46, KEGG ID=C11726, CAS ID=530-43-8 ]", "530-43-8"}}, 
   {473.2773, 11.28986, "Meta"} -> {{100518, 109258, 112564}, 
     {"Leu Trp Arg [ C23 H35 N7 O4, db=65.72, overall=32.86 ]", ""}}, 
   {480.1932, 11.290501, "Meta"} -> {{45181, 34639, 35529}, {"", ""}}, 
   {440.2009, 11.290919, "Meta"} -> {{149525, 138970, 123096}, 
     {"punaglandin 8 [ C23 H33 Cl O6, db=31.94, overall=15.97, Lipid \
ID=LMFA03120045, KEGG ID= ]", ""}}, {749.4477, 11.296001, "Meta"} -> 
    {{16133, 16785, 12786}, {"", ""}}, {455.3245, 11.3231, "Meta"} -> 
    {{82252, 82983, 42690}, {"", ""}}, {369.2876, 11.339501, "Meta"} -> 
    {{516886, 539759, 193459}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, \
db=97.62, overall=48.81, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {226.1929, 11.347332, "Meta"} -> {{132605, 121464, 129829}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=85.58, overall=42.79, \
KEGG ID=, CAS ID= ]", ""}}, {336.1572, 11.353258, "Meta"} -> 
    {{114022, 75561, 114931}, {"", ""}}, {243.2196, 11.351666, "Meta"} -> 
    {{41099, 25842, 27533}, {"2-amino-tetradecanoic acid [ C14 H29 N O2, \
db=77.47, overall=38.74, Lipid ID=, KEGG ID= ]", ""}}, 
   {256.1672, 11.371285, "Meta"} -> {{160950, 116957, 140656}, {"", ""}}, 
   {285.1361, 11.375806, "Meta"} -> {{230105, 717691, 772689}, 
     {"Morphine [ C17 H19 N O3, db=95.72, overall=47.86, KEGG ID=C01516, CAS \
ID=57-27-2 ]", "57-27-2"}}, {282.1465, 11.395613, "Meta"} -> 
    {{160443, 150807, 147154}, {"Artemisinin [ C15 H22 O5, db=88.47, \
overall=44.23, KEGG ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {208.1094, 11.39564, "Meta"} -> {{239967, 218986, 230239}, 
     {"1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo- [ C12 H16 O3, \
db=81.98, overall=40.99, KEGG ID=, CAS ID=28043-09-6 ]", "28043-09-6"}}, 
   {250.1206, 11.395556, "Meta"} -> {{1806127, 1565419, 1673324}, 
     {"Ubiquinone [ C14 H18 O4, db=99.59, overall=49.80, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {366.1019, 11.395695, "Meta"} -> 
    {{236080, 196984, 205111}, 
     {"Cys Asn Met [ C12 H22 N4 O5 S2, db=72.32, overall=36.16 ]", ""}}, 
   {381.0665, 11.395805, "Meta"} -> {{83690, 68390, 60106}, {"", ""}}, 
   {268.131, 11.395668, "Meta"} -> {{3090498, 2696148, 2798874}, {"", ""}}, 
   {842.34, 11.395239, "Meta"} -> {{18520, 53954, 47827}, {"", ""}}, 
   {589.1759, 11.39528, "Meta"} -> {{25632, 18276, 17112}, {"", ""}}, 
   {384.0751, 11.395806, "Meta"} -> {{58607, 45689, 46414}, {"", ""}}, 
   {649.2068, 11.395183, "Meta"} -> {{37444, 27470, 33443}, {"", ""}}, 
   {504.2696, 11.396668, "Meta"} -> {{169959, 133805, 141721}, {"", ""}}, 
   {312.0943, 11.396322, "Meta"} -> {{22735, 25055, 25833}, {"", ""}}, 
   {575.2477, 11.396999, "Meta"} -> {{65860, 44284, 53406}, {"", ""}}, 
   {328.1616, 11.3960285, "Meta"} -> {{100098, 92724, 97949}, 
     {"Methotrimeprazine [ C19 H24 N2 O S, db=76.92, overall=38.46, KEGG \
ID=C07192, CAS ID=60-99-1 ]", "60-99-1"}}, {441.1043, 11.396527, "Meta"} -> 
    {{69449, 56256, 47167}, {"", ""}}, {398.1249, 11.39558, "Meta"} -> 
    {{25387, 23121, 31989}, 
     {"Cys Tyr Asn [ C16 H22 N4 O6 S, db=64.30, overall=32.15 ]", ""}}, 
   {410.1626, 11.397676, "Meta"} -> {{34438, 35680, 45063}, 
     {"Phe Asn Met [ C18 H26 N4 O5 S, db=72.68, overall=36.34 ]", ""}}, 
   {426.1383, 11.396766, "Meta"} -> {{190165, 177209, 189316}, 
     {"Mometasone [ C22 H28 Cl2 O4, db=54.85, overall=27.42, KEGG ID=C07816, \
CAS ID=105102-22-5 ]", "105102-22-5"}}, {136.1248, 11.399722, "Meta"} -> 
    {{153237, 138808, 133658}, {"(+)-Limonene [ C10 H16, db=85.33, \
overall=42.67, Lipid ID=LMPR01020041, KEGG ID=C06099 ]", ""}}, 
   {266.115, 11.397911, "Meta"} -> {{31003, 36445, 38178}, {"", ""}}, 
   {214.1567, 11.399723, "Meta"} -> {{2424834, 2104043, 2191417}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=86.76, overall=43.38, \
Lipid ID=, KEGG ID= ]", ""}}, {274.189, 11.399056, "Meta"} -> 
    {{269462, 262318, 256650}, {"", ""}}, {312.1249, 11.399559, "Meta"} -> 
    {{64620, 66362, 59840}, {"", ""}}, {154.1354, 11.39986, "Meta"} -> 
    {{282549, 256684, 251476}, {"Linalool [ C10 H18 O, db=84.18, \
overall=42.09, Lipid ID=LMPR01020038, KEGG ID=C03985 ]", ""}}, 
   {647.4454, 11.415207, "Meta"} -> {{51095, 46576, 48914}, {"", ""}}, 
   {196.1447, 11.415208, "Meta"} -> {{33782, 48554, 45266}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=61.34, overall=30.67, Lipid ID=, \
KEGG ID= ]", ""}}, {397.3034, 11.419818, "Meta"} -> 
    {{58731, 49285, 59917}, {"", ""}}, {518.121, 11.434154, "Meta"} -> 
    {{20199, 17291, 15753}, {"", ""}}, {336.157, 11.451531, "Meta"} -> 
    {{63277, 1, 102617}, {"", ""}}, {246.1829, 11.451807, "Meta"} -> 
    {{44840, 1, 1}, {"", ""}}, {241.2038, 11.455589, "Meta"} -> 
    {{51370, 35161, 35947}, {"", ""}}, {478.2178, 11.45214, "Meta"} -> 
    {{53263, 48861, 47326}, {"Formestane-4-O-glucuronide [ C25 H34 O9, \
db=82.02, overall=41.01, KEGG ID=, CAS ID=102848-54-4 ]", "102848-54-4"}}, 
   {210.1249, 11.457354, "Meta"} -> {{1, 1, 34897}, 
     {"Jasmonic acid [ C12 H18 O3, db=81.52, overall=40.76, Lipid \
ID=LMFA02020001, KEGG ID= ]", ""}}, {342.2878, 11.461249, "Meta"} -> 
    {{41233, 26162, 23461}, {"", ""}}, {367.1506, 11.475408, "Meta"} -> 
    {{141389, 114727, 112869}, 
     {"Asp His Pro [ C15 H21 N5 O6, db=71.89, overall=35.95 ]", ""}}, 
   {285.1362, 11.475694, "Meta"} -> {{1726826, 1375799, 1515939}, 
     {"Morphine [ C17 H19 N O3, db=98.62, overall=49.31, KEGG ID=C01516, CAS \
ID=57-27-2 ]", "57-27-2"}}, {528.1969, 11.478286, "Meta"} -> 
    {{31536, 26149, 29152}, {"", ""}}, {460.2096, 11.476846, "Meta"} -> 
    {{21907, 18921, 21902}, 
     {"Trp Gln Gln [ C21 H28 N6 O6, db=60.46, overall=30.23 ]", ""}}, 
   {311.2457, 11.484715, "Meta"} -> {{265543, 125475, 262782}, {"", ""}}, 
   {347.2489, 11.499638, "Meta"} -> {{71505, 60811, 59952}, {"", ""}}, 
   {356.2318, 11.490559, "Meta"} -> {{17136, 1, 17585}, 
     {"Estradiol valerate [ C23 H32 O3, db=40.90, overall=20.45, Lipid \
ID=LMST02010039, KEGG ID=C12859 ]", ""}}, {344.1596, 11.518447, "Meta"} -> 
    {{262118, 188645, 236242}, {"16-Hydroxy-4-carboxyretinoic acid [ C20 H24 \
O5, db=62.38, overall=31.19, KEGG ID=, CAS ID=99665-36-8 ]", "99665-36-8"}}, 
   {414.204, 11.526778, "Meta"} -> {{76429, 80043, 76575}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=76.96, overall=38.48 ]", ""}}, 
   {413.2931, 11.527801, "Meta"} -> {{1, 13659, 1}, {"", ""}}, 
   {449.3137, 11.528334, "Meta"} -> {{39336, 10115, 27453}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=91.01, overall=45.51, HMP \
ID=HMDB00708, KEGG ID= ]", ""}}, {431.3032, 11.527909, "Meta"} -> 
    {{39342, 36907, 38275}, {"", ""}}, {250.1557, 11.546168, "Meta"} -> 
    {{47781, 42431, 44510}, {"Gemfibrozil [ C15 H22 O3, db=55.73, \
overall=27.87, KEGG ID=, CAS ID=25812-30-0 ]", "25812-30-0"}}, 
   {632.2483, 11.548585, "Meta"} -> {{624569, 869851, 1477280}, {"", ""}}, 
   {441.3298, 11.567675, "Meta"} -> {{72107, 56936, 60473}, {"", ""}}, 
   {424.3029, 11.567376, "Meta"} -> {{111830, 88806, 94814}, 
     {"2alpha-Fluoro-19-nor-22-oxa-1alpha,25-dihydroxyvitamin D3 [ C25 H41 F \
O4, db=58.90, overall=29.45, Lipid ID=LMST03020616, KEGG ID= ]", ""}}, 
   {488.2383, 11.5761385, "Meta"} -> {{29771, 19919, 23181}, {"", ""}}, 
   {329.2389, 11.608471, "Meta"} -> {{1396506, 1150220, 1091878}, {"", ""}}, 
   {280.165, 11.619699, "Meta"} -> {{123154, 109626, 107253}, {"", ""}}, 
   {386.1862, 11.624001, "Meta"} -> {{34677, 50305, 1}, {"", ""}}, 
   {386.2455, 11.630222, "Meta"} -> {{142921, 120729, 117474}, 
     {"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid [ C24 H34 O4, \
db=85.79, overall=42.90, Lipid ID=, KEGG ID= ]", ""}}, 
   {598.2424, 11.630831, "Meta"} -> {{56503, 50045, 52947}, {"", ""}}, 
   {735.4978, 11.632807, "Meta"} -> {{36012, 33936, 38421}, 
     {"Dipalmitoylphosphatidylserine [ C38 H74 N O10 P, db=54.29, \
overall=27.15, HMP ID=HMDB00614, KEGG ID= ]", ""}}, 
   {370.3555, 11.634998, "Meta"} -> {{47392, 50632, 48213}, {"", ""}}, 
   {468.2595, 11.6322565, "Meta"} -> {{43974, 40250, 40189}, {"", ""}}, 
   {740.4531, 11.631467, "Meta"} -> {{51378, 43959, 43028}, {"", ""}}, 
   {477.1897, 11.660638, "Meta"} -> {{51556, 72621, 102087}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=85.23, overall=42.62, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {582.2477, 11.661, "Meta"} -> 
    {{45252, 31947, 46299}, {"Biliverdin IX [ C33 H34 N4 O6, db=87.31, \
overall=43.66, HMP ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", 
      " 114-25-0"}}, {354.2379, 11.661621, "Meta"} -> 
    {{27430, 24025, 1}, {"13,14-dihydro-15-keto-PGF2alpha [ C20 H34 O5, \
db=42.26, overall=21.13, Lipid ID=LMFA03010027, KEGG ID= ]", ""}}, 
   {520.2644, 11.689971, "Meta"} -> {{45615, 38781, 36401}, 
     {"Medroxyprogesterone glucuronide [ C28 H40 O9, db=48.42, overall=24.21, \
KEGG ID=, CAS ID= ]", ""}}, {485.356, 11.693, "Meta"} -> 
    {{62282, 53809, 67957}, {"", ""}}, {240.1703, 11.670438, "Meta"} -> 
    {{74231, 73081, 62823}, {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic \
acid [ C14 H24 O3, db=65.39, overall=32.69, Lipid ID=, KEGG ID= ]", ""}}, 
   {439.2696, 11.698639, "Meta"} -> {{23226, 16055, 1}, 
     {"GPA(17:1(9Z)/0:0) [ C20 H42 N O7 P, db=58.14, overall=29.07, Lipid \
ID=LMGP10050002, KEGG ID= ]", ""}}, {414.2039, 11.722752, "Meta"} -> 
    {{224630, 174960, 140371}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=70.02, overall=35.01 ]", ""}}, 
   {522.2801, 11.738907, "Meta"} -> {{52464, 42419, 50066}, {"", ""}}, 
   {262.1541, 11.742794, "Meta"} -> {{1, 153541, 1}, {"", ""}}, 
   {272.2133, 11.744, "Meta"} -> {{64722, 57149, 66334}, {"", ""}}, 
   {588.2251, 11.747442, "Meta"} -> {{47963, 44269, 39752}, {"", ""}}, 
   {528.1907, 11.747131, "Meta"} -> {{25340, 19186, 21235}, {"", ""}}, 
   {371.3033, 11.768027, "Meta"} -> {{216776, 213042, 58485}, {"", ""}}, 
   {590.3101, 11.752577, "Meta"} -> {{81863, 66906, 78767}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=61.46, overall=30.73, HMP \
ID=HMDB04158, KEGG ID= ]", ""}}, {417.1435, 11.795814, "Meta"} -> 
    {{18971, 16767, 1}, {"Mefenamic acid Metabolite (b-D-Glucopyranuronic \
acid, 1-[2-[(2,3-dimethylphenyl)amino]benzoate]) [ C21 H23 N O8, db=50.07, \
overall=25.03, KEGG ID=, CAS ID=102623-18-7 ]", "102623-18-7"}}, 
   {282.1151, 11.797542, "Meta"} -> {{64078, 1, 49584}, {"", ""}}, 
   {342.145, 11.797485, "Meta"} -> {{58252, 46932, 51856}, {"", ""}}, 
   {184.146, 11.798257, "Meta"} -> {{190531, 142859, 162370}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=82.08, overall=41.04, Lipid ID=, \
KEGG ID= ]", ""}}, {373.2647, 11.811193, "Meta"} -> 
    {{76695, 1, 1}, {"", ""}}, {299.2823, 11.815419, "Meta"} -> 
    {{56630, 50541, 14800}, {"3-Dehydrosphinganine [ C18 H37 N O2, db=94.66, \
overall=47.33, KEGG ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {251.2249, 11.800002, "Meta"} -> {{105350, 100554, 1}, {"", ""}}, 
   {534.3375, 11.806134, "Meta"} -> {{65779, 63951, 50621}, {"", ""}}, 
   {465.3086, 11.805584, "Meta"} -> {{184681, 152119, 171548}, 
     {"Cholylglycine [ C26 H43 N O6, db=97.59, overall=48.80, KEGG ID=, CAS \
ID=475-31-0 ]", "475-31-0"}}, {429.2878, 11.80568, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {529.3823, 11.806334, "Meta"} -> 
    {{51763, 1, 50625}, {"", ""}}, {518.2228, 11.805154, "Meta"} -> 
    {{1, 1, 1}, {"26,26,26,27,27,27-hexafluoro-1alpha,25-dihydroxy-16,17,23,2\
3,24,24-hexadehydrovitamin D3 / 26,26,26, [ C27 H32 F6 O3, db=61.57, \
overall=30.78, Lipid ID=LMST03020078, KEGG ID= ]", ""}}, 
   {585.3523, 11.805889, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {521.2284, 11.805668, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {414.204, 11.809854, "Meta"} -> {{1, 125106, 152699}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=78.79, overall=39.40 ]", ""}}, 
   {431.2309, 11.812069, "Meta"} -> {{41848, 50418, 42715}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=56.36, overall=28.18 ]", ""}}, 
   {218.1664, 11.82626, "Meta"} -> {{28898, 17881, 24543}, 
     {"6,8,10,12-pentadecatetraenal [ C15 H22 O, db=57.54, overall=28.77, \
Lipid ID=, KEGG ID= ]", ""}}, {270.1153, 11.829969, "Meta"} -> 
    {{28127, 25179, 20138}, {"chloroprocaine [ C13 H19 Cl N2 O2, db=55.52, \
overall=27.76, KEGG ID=, CAS ID= ]", ""}}, {330.1401, 11.829573, "Meta"} -> 
    {{1, 26848, 20029}, {"Desmethyl methotrimeprazine 5-sulfoxide [ C18 H22 \
N2 O2 S, db=85.40, overall=42.70, KEGG ID=, CAS ID=16808-77-8 ]", 
      "16808-77-8"}}, {172.146, 11.8296385, "Meta"} -> 
    {{46789, 52049, 45110}, {"3-methyl-nonanoic acid [ C10 H20 O2, db=89.90, \
overall=44.95, Lipid ID=, KEGG ID= ]", ""}}, {186.1616, 11.829715, "Meta"} -> 
    {{35140, 35868, 27620}, {"Undecylic acid [ C11 H22 O2, db=83.39, \
overall=41.70, KEGG ID=, CAS ID= ]", ""}}, {431.3031, 11.831061, "Meta"} -> 
    {{39296, 26682, 1}, {"", ""}}, {471.2956, 11.832395, "Meta"} -> 
    {{20524, 18745, 1}, {"", ""}}, {308.1988, 11.834726, "Meta"} -> 
    {{39925, 1, 27842}, {"", ""}}, {355.2544, 11.8503895, "Meta"} -> 
    {{517144, 479434, 394742}, {"", ""}}, {346.1188, 11.835636, "Meta"} -> 
    {{25040, 23489, 27089}, {"Nifedipine [ C17 H18 N2 O6, db=50.63, \
overall=25.31, KEGG ID=C07266, CAS ID=21829-25-4 ]", "21829-25-4"}}, 
   {276.1724, 11.846942, "Meta"} -> {{126242, 126474, 128465}, 
     {"cyclandelate [ C17 H24 O3, db=63.51, overall=31.75, KEGG ID=, CAS \
ID=456-59-7 ]", "456-59-7"}}, {369.197, 11.842227, "Meta"} -> 
    {{43396, 42829, 44428}, {"", ""}}, {588.2903, 11.855272, "Meta"} -> 
    {{33279, 29191, 37300}, {"", ""}}, {330.1805, 11.858284, "Meta"} -> 
    {{260869, 249886, 248863}, {"16-Hydroxy-4-oxoretinoic acid [ C20 H26 O4, \
db=78.37, overall=39.19, KEGG ID=, CAS ID=107257-23-8 ]", "107257-23-8"}}, 
   {252.1358, 11.86086, "Meta"} -> {{43578, 50651, 50697}, {"", ""}}, 
   {290.1884, 11.862444, "Meta"} -> {{170396, 181291, 194273}, 
     {"8-hydroxy-17-octadecene-9,11-diynoic acid [ C18 H26 O3, db=62.31, \
overall=31.16, Lipid ID=, KEGG ID= ]", ""}}, {351.2187, 11.864862, "Meta"} -> 
    {{182215, 162437, 158283}, {"", ""}}, {592.3258, 11.793964, "Meta"} -> 
    {{112369, 95733, 102263}, {"", ""}}, {309.2302, 11.861514, "Meta"} -> 
    {{529414, 173838, 154026}, {"", ""}}, {447.2981, 11.879917, "Meta"} -> 
    {{144850, 133176, 130752}, {"", ""}}, {511.3273, 11.884157, "Meta"} -> 
    {{187649, 162672, 41026}, {"", ""}}, {280.1649, 11.8923235, "Meta"} -> 
    {{47165, 38220, 1}, {"", ""}}, {705.4871, 11.893938, "Meta"} -> 
    {{1, 44925, 50053}, {"", ""}}, {291.2176, 11.896868, "Meta"} -> 
    {{1, 260822, 257131}, {"Penbutolol [ C18 H29 N O2, db=57.95, \
overall=28.98, KEGG ID=C07416, CAS ID=38363-40-5 ]", "38363-40-5"}}, 
   {688.4606, 11.89371, "Meta"} -> {{79502, 1, 74414}, {"", ""}}, 
   {267.2197, 11.913969, "Meta"} -> {{647372, 621847, 616464}, {"", ""}}, 
   {394.2926, 11.915362, "Meta"} -> {{193467, 156658, 160102}, {"", ""}}, 
   {251.2248, 11.917944, "Meta"} -> {{254355, 207484, 251024}, {"", ""}}, 
   {411.3194, 11.915528, "Meta"} -> {{92496, 75802, 89629}, {"", ""}}, 
   {256.219, 11.924389, "Meta"} -> {{67985, 59112, 62318}, {"", ""}}, 
   {610.2709, 11.924807, "Meta"} -> {{1, 21030, 21092}, {"", ""}}, 
   {534.281, 11.92525, "Meta"} -> {{70074, 63594, 68823}, {"", ""}}, 
   {451.3145, 11.934751, "Meta"} -> {{24414, 22982, 26515}, {"", ""}}, 
   {224.1408, 11.931854, "Meta"} -> {{1, 64775, 70351}, 
     {"Methyl jasmonate [ C13 H20 O3, db=49.28, overall=24.64, KEGG \
ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {456.2698, 11.934423, "Meta"} -> {{44157, 49345, 44916}, {"", ""}}, 
   {572.3308, 11.924665, "Meta"} -> {{14715, 11760, 14360}, {"", ""}}, 
   {428.2149, 11.942999, "Meta"} -> {{33835, 31098, 24754}, {"", ""}}, 
   {315.2772, 11.940305, "Meta"} -> {{1621226, 1587105, 1518707}, {"", ""}}, 
   {413.2462, 11.94091, "Meta"} -> {{62568, 66796, 76076}, {"", ""}}, 
   {297.2667, 11.941416, "Meta"} -> {{115657, 114481, 109524}, 
     {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ C18 H35 N O2, db=86.94, \
overall=43.47, KEGG ID=, CAS ID= ]", ""}}, {341.2728, 11.941767, "Meta"} -> 
    {{24206, 1, 23470}, {"", ""}}, {314.0917, 11.9444475, "Meta"} -> 
    {{152931, 185113, 46755}, {"", ""}}, {261.1217, 11.955101, "Meta"} -> 
    {{1, 27994, 1}, {"", ""}}, {379.2542, 11.973425, "Meta"} -> 
    {{54048, 50479, 42138}, {"", ""}}, {594.3415, 11.96689, "Meta"} -> 
    {{170074, 130848, 138058}, {"L-Urobilin [ C33 H46 N4 O6, db=74.87, \
overall=37.44, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {255.2196, 11.968827, "Meta"} -> {{52088, 58706, 1}, {"", ""}}, 
   {414.2043, 11.974148, "Meta"} -> {{70904, 37939, 31888}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=62.51, overall=31.26 ]", ""}}, 
   {312.2301, 11.973156, "Meta"} -> {{1, 46615, 1}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=65.73, \
overall=32.86, Lipid ID=, KEGG ID= ]", ""}}, {328.2254, 11.979709, "Meta"} -> 
    {{62134, 46105, 1}, {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 \
H32 O5, db=55.40, overall=27.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {196.1461, 11.97807, "Meta"} -> {{143841, 115294, 127450}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=60.16, overall=30.08, Lipid ID=, \
KEGG ID= ]", ""}}, {754.4684, 11.973702, "Meta"} -> 
    {{63509, 49219, 55373}, {"", ""}}, {749.5135, 11.97703, "Meta"} -> 
    {{47400, 42257, 48959}, {"", ""}}, {324.1915, 11.994925, "Meta"} -> 
    {{1, 1, 28826}, {"12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid \
[ C18 H28 O5, db=57.41, overall=28.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {309.23, 11.97869, "Meta"} -> {{108592, 433452, 106262}, {"", ""}}, 
   {301.1142, 11.992531, "Meta"} -> {{113719, 92638, 105451}, {"", ""}}, 
   {331.2543, 12.023166, "Meta"} -> {{670428, 619101, 317423}, {"", ""}}, 
   {455.3454, 12.01464, "Meta"} -> {{119118, 106961, 123030}, {"", ""}}, 
   {438.3189, 12.015082, "Meta"} -> {{194092, 172611, 48490}, {"", ""}}, 
   {358.2328, 12.025667, "Meta"} -> {{1856445, 385860, 1068109}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=96.96, overall=48.48 ]", ""}}, 
   {311.152, 12.032904, "Meta"} -> {{165202, 178557, 140104}, {"", ""}}, 
   {353.2775, 12.026425, "Meta"} -> {{1706686, 351492, 976953}, {"", ""}}, 
   {385.3189, 12.040938, "Meta"} -> {{106354, 90350, 50091}, {"", ""}}, 
   {397.3187, 12.041324, "Meta"} -> {{228692, 227583, 67886}, {"", ""}}, 
   {798.4948, 12.054034, "Meta"} -> {{53120, 47310, 51665}, {"", ""}}, 
   {793.5397, 12.054131, "Meta"} -> {{45456, 39894, 41332}, {"", ""}}, 
   {590.3062, 12.072692, "Meta"} -> {{1, 1, 21549}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=57.10, overall=28.55, HMP \
ID=HMDB04158, KEGG ID= ]", ""}}, {326.0038, 12.075236, "Meta"} -> 
    {{1, 105624, 58830}, {"", ""}}, {236.1403, 12.083773, "Meta"} -> 
    {{40241, 32857, 37635}, {"", ""}}, {252.1866, 12.082345, "Meta"} -> 
    {{30576, 40154, 37512}, {"", ""}}, {586.209, 12.083833, "Meta"} -> 
    {{165882, 178449, 175497}, {"", ""}}, {350.155, 12.082278, "Meta"} -> 
    {{86569, 78528, 72594}, {"", ""}}, {526.1727, 12.085113, "Meta"} -> 
    {{155416, 145823, 146642}, {"", ""}}, {466.1347, 12.082086, "Meta"} -> 
    {{135206, 120254, 112913}, {"", ""}}, {270.1981, 12.084306, "Meta"} -> 
    {{329442, 276809, 304093}, {"", ""}}, {412.1294, 12.085416, "Meta"} -> 
    {{117115, 110959, 112180}, {"", ""}}, {368.1654, 12.082582, "Meta"} -> 
    {{114982, 98465, 110447}, {"Testosterone sulfate [ C19 H28 O5 S, \
db=92.27, overall=46.13, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {498.1664, 12.083362, "Meta"} -> {{46850, 39360, 38016}, {"", ""}}, 
   {616.2339, 12.084806, "Meta"} -> {{88374, 78603, 81065}, {"", ""}}, 
   {243.2196, 12.102666, "Meta"} -> {{73154, 74216, 60020}, 
     {"2-amino-tetradecanoic acid [ C14 H29 N O2, db=84.12, overall=42.06, \
Lipid ID=, KEGG ID= ]", ""}}, {482.3452, 12.104295, "Meta"} -> 
    {{196752, 179590, 184589}, {"", ""}}, {234.1617, 12.111666, "Meta"} -> 
    {{54392, 56036, 35984}, {"", ""}}, {248.1769, 12.122094, "Meta"} -> 
    {{64047, 68312, 77851}, {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, \
db=79.54, overall=39.77, Lipid ID=, KEGG ID= ]", ""}}, 
   {291.2195, 12.120156, "Meta"} -> {{74213, 70545, 73344}, 
     {"Penbutolol [ C18 H29 N O2, db=68.40, overall=34.20, KEGG ID=C07416, \
CAS ID=38363-40-5 ]", "38363-40-5"}}, {837.5658, 12.128968, "Meta"} -> 
    {{35373, 28536, 1}, {"", ""}}, {342.1837, 12.136654, "Meta"} -> 
    {{45706, 1, 23830}, {"Acitretin Ro 23-4750 [ C21 H26 O4, db=77.85, \
overall=38.93, KEGG ID=, CAS ID=121785-73-7 ]", "121785-73-7"}}, 
   {264.1359, 12.146778, "Meta"} -> {{1026948, 829713, 960685}, {"", ""}}, 
   {222.1252, 12.146971, "Meta"} -> {{130203, 114748, 114495}, 
     {"Hydroxyibuprofen [ C13 H18 O3, db=74.22, overall=37.11, KEGG ID=, CAS \
ID=51146-55-5 ]", "51146-55-5"}}, {296.1624, 12.147417, "Meta"} -> 
    {{190945, 143622, 166320}, {"Lactone of PGF-MUM [ C16 H24 O5, db=79.76, \
overall=39.88, KEGG ID=, CAS ID= ]", ""}}, {282.1466, 12.147778, "Meta"} -> 
    {{1707747, 1378933, 1561760}, {"Artemisinin [ C15 H22 O5, db=99.12, \
overall=49.56, KEGG ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {341.2723, 12.151607, "Meta"} -> {{19534, 25497, 24113}, {"", ""}}, 
   {380.1164, 12.147638, "Meta"} -> {{70385, 56758, 59712}, 
     {"Cys Gln Met [ C13 H24 N4 O5 S2, db=68.35, overall=34.18 ]", ""}}, 
   {306.1804, 12.177001, "Meta"} -> {{42218, 47781, 58594}, 
     {"Tetranor Iloprost [ C18 H26 O4, db=63.70, overall=31.85, KEGG ID=, CAS \
ID=93220-69-0 ]", "93220-69-0"}}, {402.1937, 12.148144, "Meta"} -> 
    {{99671, 85254, 104424}, 
     {"Pro Trp Thr [ C20 H26 N4 O5, db=72.34, overall=36.17 ]", ""}}, 
   {297.2667, 12.156, "Meta"} -> {{67933, 78224, 67169}, 
     {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ C18 H35 N O2, db=77.59, \
overall=38.79, KEGG ID=, CAS ID= ]", ""}}, {315.2772, 12.155445, "Meta"} -> 
    {{1228811, 1169183, 1142146}, {"", ""}}, {413.2455, 12.157277, "Meta"} -> 
    {{1, 44445, 1}, {"", ""}}, {313.2615, 12.160829, "Meta"} -> 
    {{266598, 107017, 235942}, {"", ""}}, {311.1518, 12.180069, "Meta"} -> 
    {{93368, 93259, 102299}, {"", ""}}, {299.9847, 12.185141, "Meta"} -> 
    {{2031005, 2665732, 730651}, {"", ""}}, {318.1804, 12.2324295, "Meta"} -> 
    {{1, 134119, 139991}, {"Ubiquinone (Q2) [ C19 H26 O4, db=42.47, \
overall=21.23, KEGG ID=, CAS ID=606-06-4 ]", "606-06-4"}}, 
   {606.2023, 12.187666, "Meta"} -> {{69854, 60650, 62887}, {"", ""}}, 
   {462.2252, 12.1875, "Meta"} -> {{302139, 264034, 283759}, 
     {"Hydrocortisone succinate [ C25 H34 O8, db=96.63, overall=48.31, Lipid \
ID=LMST02030126, KEGG ID=C12888 ]", ""}}, {525.2572, 12.187778, "Meta"} -> 
    {{149028, 131264, 140044}, {"", ""}}, {568.2631, 12.187808, "Meta"} -> 
    {{48516, 41953, 46209}, {"", ""}}, {621.1704, 12.188378, "Meta"} -> 
    {{18907, 18410, 14196}, {"", ""}}, {530.2126, 12.187939, "Meta"} -> 
    {{335648, 271701, 299980}, 
     {"Trp Tyr Tyr [ C29 H30 N4 O6, db=72.13, overall=36.06 ]", ""}}, 
   {377.2329, 12.190221, "Meta"} -> {{252679, 197606, 191291}, 
     {"Val Leu Phe [ C20 H31 N3 O4, db=88.80, overall=44.40 ]", ""}}, 
   {628.2743, 12.1870985, "Meta"} -> {{17560, 14485, 19057}, {"", ""}}, 
   {420.2121, 12.200396, "Meta"} -> {{56329, 50266, 47583}, {"", ""}}, 
   {228.1723, 12.197486, "Meta"} -> {{304429, 9723, 168929}, 
     {"10-keto tridecanoic acid [ C13 H24 O3, db=61.20, overall=30.60, Lipid \
ID=LMFA01060042, KEGG ID= ]", ""}}, {372.191, 12.199401, "Meta"} -> 
    {{54774, 44443, 1}, {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=56.89, \
overall=28.44, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {357.2698, 12.228862, "Meta"} -> {{842196, 704179, 405677}, {"", ""}}, 
   {199.1932, 12.220861, "Meta"} -> {{436326, 323977, 203440}, 
     {"dodecanamide [ C12 H25 N O, db=98.45, overall=49.22, Lipid ID=, KEGG \
ID= ]", ""}}, {259.2255, 12.222748, "Meta"} -> {{88797, 121155, 67677}, 
     {"", ""}}, {269.235, 12.2237425, "Meta"} -> {{50222, 59808, 52111}, 
     {"", ""}}, {719.5028, 12.228621, "Meta"} -> {{38965, 31228, 18583}, 
     {"", ""}}, {664.2384, 12.227905, "Meta"} -> {{40326, 63430, 85311}, 
     {"", ""}}, {248.1768, 12.233333, "Meta"} -> 
    {{1, 1, 23089}, {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, \
db=72.21, overall=36.10, Lipid ID=, KEGG ID= ]", ""}}, 
   {284.1987, 12.237692, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {262.1929, 12.242998, "Meta"} -> {{161293, 135835, 142477}, 
     {"5,8-heptadecadiynoic acid [ C17 H26 O2, db=98.55, overall=49.28, Lipid \
ID=, KEGG ID= ]", ""}}, {533.3115, 12.239881, "Meta"} -> 
    {{61244, 56227, 1}, {"", ""}}, {302.1855, 12.243556, "Meta"} -> 
    {{152713, 123686, 127236}, {"2-Methoxyestradiol [ C19 H26 O3, db=76.71, \
overall=38.36, HMP ID=HMDB00405, KEGG ID= ]", ""}}, 
   {436.1856, 12.235857, "Meta"} -> {{63122, 1, 44432}, {"", ""}}, 
   {596.3558, 12.249497, "Meta"} -> {{26336, 21737, 22904}, {"", ""}}, 
   {242.188, 12.252134, "Meta"} -> {{316051, 273206, 278099}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=63.43, \
overall=31.71, Lipid ID=, KEGG ID= ]", ""}}, {614.3666, 12.251577, "Meta"} -> 
    {{40959, 1, 1}, {"", ""}}, {512.1788, 12.245139, "Meta"} -> 
    {{24236, 23561, 23366}, {"10S,11R-epoxy-punaglandin 3 [ C25 H33 Cl O9, \
db=53.22, overall=26.61, Lipid ID=LMFA03120039, KEGG ID= ]", ""}}, 
   {376.1882, 12.266801, "Meta"} -> {{150577, 40808, 45002}, 
     {"Arg Val Cys [ C14 H28 N6 O4 S, db=75.82, overall=37.91 ]", ""}}, 
   {580.2321, 12.270332, "Meta"} -> {{207035, 201445, 171493}, {"", ""}}, 
   {630.2687, 12.26936, "Meta"} -> {{139269, 125845, 97078}, {"", ""}}, 
   {612.2583, 12.2699175, "Meta"} -> {{98475, 166197, 76403}, {"", ""}}, 
   {672.2793, 12.270498, "Meta"} -> {{86443, 88750, 80473}, {"", ""}}, 
   {658.2637, 12.2717495, "Meta"} -> {{33292, 29648, 29012}, {"", ""}}, 
   {644.2843, 12.27025, "Meta"} -> {{265453, 276847, 226132}, {"", ""}}, 
   {298.2154, 12.269302, "Meta"} -> {{30663, 47096, 33817}, 
     {"8E-Heptadecenedioic acid [ C17 H30 O4, db=61.18, overall=30.59, Lipid \
ID=, KEGG ID= ]", ""}}, {336.1262, 12.278805, "Meta"} -> 
    {{47644, 53507, 41391}, {"", ""}}, {238.1567, 12.281195, "Meta"} -> 
    {{874203, 716956, 752729}, {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 \
H22 O3, db=97.15, overall=48.57, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {423.3348, 12.288555, "Meta"} -> {{987191, 1048773, 551206}, {"", ""}}, 
   {311.2457, 12.286498, "Meta"} -> {{535759, 542327, 536516}, {"", ""}}, 
   {374.2429, 12.298686, "Meta"} -> {{72585, 68636, 61377}, 
     {"Digitoxigenin [ C23 H34 O4, db=53.68, overall=26.84, KEGG ID=, CAS \
ID=143-62-4 ]", "143-62-4"}}, {477.1899, 12.302515, "Meta"} -> 
    {{30431, 33446, 30527}, {"3,5-Pyridinedicarboxylic acid, \
2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino] [ C26 \
H27 N3 O6, db=59.31, overall=29.66, KEGG ID=, CAS ID=59875-58-0 ]", 
      "59875-58-0"}}, {768.4842, 12.295834, "Meta"} -> 
    {{1, 47002, 39216}, {"", ""}}, {369.2874, 12.299877, "Meta"} -> 
    {{43410, 45658, 39353}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, \
db=64.19, overall=32.09, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {763.5288, 12.296454, "Meta"} -> {{46750, 37386, 43355}, {"", ""}}, 
   {314.1884, 12.299144, "Meta"} -> {{44462, 64112, 53962}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=70.86, overall=35.43, KEGG ID=, \
CAS ID=38030-57-8 ]", "38030-57-8"}}, {271.2523, 12.302779, "Meta"} -> 
    {{102771, 126530, 97221}, {"2R-aminohexadecanoic acid [ C16 H33 N O2, \
db=52.07, overall=26.04, Lipid ID=, KEGG ID= ]", ""}}, 
   {625.346, 12.299999, "Meta"} -> {{152936, 131687, 142433}, 
     {"Glycochenodeoxycholic acid 3-glucuronide [ C32 H51 N O11, db=99.35, \
overall=49.68, HMP ID=HMDB02579, KEGG ID= ]", ""}}, 
   {342.1463, 12.310115, "Meta"} -> {{1, 1, 29989}, {"", ""}}, 
   {663.2926, 12.299033, "Meta"} -> {{1, 1, 21308}, {"", ""}}, 
   {372.2661, 12.3107815, "Meta"} -> {{342269, 289398, 321900}, 
     {"(22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid [ C24 H36 O3, db=66.95, \
overall=33.48, Lipid ID=, KEGG ID= ]", ""}}, {329.2566, 12.319615, "Meta"} -> 
    {{1, 18232, 24150}, {"", ""}}, {265.2404, 12.332487, "Meta"} -> 
    {{63953, 58355, 58576}, {"", ""}}, {305.2328, 12.322701, "Meta"} -> 
    {{41890, 34979, 36957}, {"", ""}}, {230.1879, 12.337853, "Meta"} -> 
    {{127743, 106103, 13850}, {"4-hydroxy-tridecanoic acid [ C13 H26 O3, \
db=63.86, overall=31.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {631.4503, 12.339085, "Meta"} -> {{87346, 73617, 1}, {"", ""}}, 
   {312.1359, 12.347117, "Meta"} -> {{1203719, 976350, 851980}, {"", ""}}, 
   {388.2607, 12.350721, "Meta"} -> {{35932, 33055, 21182}, 
     {"7,12-Dioxo-5beta-cholan-24-oic Acid [ C24 H36 O4, db=77.22, \
overall=38.61, Lipid ID=, KEGG ID= ]", ""}}, {328.2249, 12.339256, "Meta"} -> 
    {{161793, 169400, 110778}, {"9,12,13-trihydroxy-10,15-octadecadienoic \
acid [ C18 H32 O5, db=76.40, overall=38.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {425.3361, 12.35692, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {408.3088, 12.36271, "Meta"} -> {{51095, 48617, 1}, {"", ""}}, 
   {281.2354, 12.3655615, "Meta"} -> {{138603, 153079, 178384}, {"", ""}}, 
   {360.1656, 12.382274, "Meta"} -> {{66103, 63985, 59467}, 
     {"Leu Asn Asp [ C14 H24 N4 O7, db=77.19, overall=38.60 ]", ""}}, 
   {338.2439, 12.380382, "Meta"} -> {{41016, 54570, 50928}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=74.85, overall=37.42, KEGG ID=, \
CAS ID= ]", ""}}, {436.1472, 12.383839, "Meta"} -> {{1, 1, 38886}, {"", ""}}, 
   {376.1198, 12.386286, "Meta"} -> {{58465, 57341, 46378}, 
     {"Asp Asn Glu [ C13 H20 N4 O9, db=55.52, overall=27.76 ]", ""}}, 
   {278.1519, 12.387778, "Meta"} -> {{4086645, 4215617, 3257037}, {"", ""}}, 
   {148.0158, 12.3895, "Meta"} -> {{445523, 465419, 372913}, {"", ""}}, 
   {204.0784, 12.3909445, "Meta"} -> {{300247, 320907, 245024}, {"", ""}}, 
   {396.2873, 12.403235, "Meta"} -> {{166782, 152021, 121527}, 
     {"PGF2alpha isopropyl ester [ C23 H40 O5, db=87.08, overall=43.54, Lipid \
ID=LMFA03010076, KEGG ID= ]", ""}}, {276.17, 12.37928, "Meta"} -> 
    {{64960, 1, 1}, {"cyclandelate [ C17 H24 O3, db=51.06, overall=25.53, \
KEGG ID=, CAS ID=456-59-7 ]", "456-59-7"}}, {607.326, 12.407581, "Meta"} -> 
    {{1, 20686, 28464}, {"", ""}}, {675.4764, 12.4054, "Meta"} -> 
    {{70017, 54601, 65605}, {"", ""}}, {487.2618, 12.410424, "Meta"} -> 
    {{25503, 24413, 22953}, {"", ""}}, {562.256, 12.410714, "Meta"} -> 
    {{15620, 1, 1}, {"Protoporphyrin [ C34 H34 N4 O4, db=79.79, \
overall=39.90, KEGG ID=C01079, CAS ID=553-12-8 ]", "553-12-8"}}, 
   {547.2891, 12.410121, "Meta"} -> {{34196, 41426, 42864}, {"", ""}}, 
   {449.3139, 12.410828, "Meta"} -> {{493074, 416210, 420329}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=99.45, overall=49.73, HMP \
ID=HMDB00708, KEGG ID= ]", ""}}, {505.2336, 12.410571, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {431.3035, 12.411553, "Meta"} -> 
    {{315262, 267534, 297488}, {"", ""}}, {413.2934, 12.41158, "Meta"} -> 
    {{1, 1, 97558}, {"", ""}}, {491.3008, 12.412041, "Meta"} -> 
    {{55432, 38448, 1}, {"", ""}}, {1312.7719, 12.4140005, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {851.5811, 12.417131, "Meta"} -> 
    {{39688, 31476, 42108}, {"C20-OHSulfatide [ C44 H85 N O12 S, db=89.76, \
overall=44.88, Lipid ID=LMSP06020005, KEGG ID= ]", ""}}, 
   {467.301, 12.424151, "Meta"} -> {{547550, 448182, 109322}, 
     {"Myristoyl L-a-lysophosphatidylcholine [ C22 H46 N O7 P, db=96.32, \
overall=48.16, KEGG ID=, CAS ID=20559-16-4 ]", "20559-16-4"}}, 
   {469.361, 12.42775, "Meta"} -> {{179727, 154920, 177558}, {"", ""}}, 
   {452.3344, 12.426857, "Meta"} -> {{325652, 311686, 343156}, {"", ""}}, 
   {505.2485, 12.426792, "Meta"} -> {{38515, 37923, 1}, {"", ""}}, 
   {863.4587, 12.424135, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {614.2372, 12.435374, "Meta"} -> {{28065, 21101, 25116}, {"", ""}}, 
   {324.0821, 12.4366255, "Meta"} -> {{25167, 141770, 34207}, {"", ""}}, 
   {274.2141, 12.443, "Meta"} -> {{340962, 320036, 49731}, 
     {"2,15-dihydroxy-pentadecylic acid [ C15 H30 O4, db=98.78, \
overall=49.39, Lipid ID=LMFA01050082, KEGG ID= ]", ""}}, 
   {256.2038, 12.44312, "Meta"} -> {{22571, 21323, 1}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=62.07, overall=31.03, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {352.171, 12.430658, "Meta"} -> 
    {{41856, 42988, 46444}, {"", ""}}, {370.1815, 12.436501, "Meta"} -> 
    {{87636, 68736, 53128}, {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 \
H30 O5 S, db=68.09, overall=34.04, KEGG ID=, CAS ID=977-36-6 ]", 
      "977-36-6"}}, {500.1792, 12.433194, "Meta"} -> 
    {{31627, 27894, 24917}, {"gamma-Hydroxyphenylbutazone glucuronide [ C25 \
H28 N2 O9, db=72.50, overall=36.25, KEGG ID=, CAS ID= ]", ""}}, 
   {588.225, 12.436315, "Meta"} -> {{95235, 98276, 94536}, {"", ""}}, 
   {504.2695, 12.450472, "Meta"} -> {{87122, 66699, 74148}, {"", ""}}, 
   {528.189, 12.4353895, "Meta"} -> {{72441, 62886, 73256}, {"", ""}}, 
   {414.1453, 12.441296, "Meta"} -> {{1, 47838, 52021}, {"", ""}}, 
   {270.2135, 12.456722, "Meta"} -> {{230409, 299844, 125406}, {"", ""}}, 
   {292.167, 12.460268, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {719.5026, 12.466721, "Meta"} -> {{52609, 42934, 49941}, {"", ""}}, 
   {399.3347, 12.47114, "Meta"} -> {{1078509, 1211785, 153386}, 
     {"Palmitoylcarnitine [ C23 H45 N O4, db=99.77, overall=49.89, Lipid \
ID=LMFA07070004, KEGG ID=C02990 ]", ""}}, {182.1666, 12.464886, "Meta"} -> 
    {{32919, 31605, 34797}, {"7E,9Z-dodecadien-1-ol [ C12 H22 O, db=80.52, \
overall=40.26, Lipid ID=, KEGG ID= ]", ""}}, {242.1878, 12.468251, "Meta"} -> 
    {{153609, 362736, 363314}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 \
O3, db=62.18, overall=31.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {895.6074, 12.470839, "Meta"} -> {{1, 1, 41457}, {"", ""}}, 
   {496.3607, 12.486807, "Meta"} -> {{1, 214193, 278577}, {"", ""}}, 
   {513.3873, 12.487667, "Meta"} -> {{235883, 206889, 230700}, {"", ""}}, 
   {384.1933, 12.488749, "Meta"} -> {{62665, 64933, 1}, {"", ""}}, 
   {250.1204, 12.488947, "Meta"} -> {{38347, 35652, 25385}, 
     {"Ubiquinone [ C14 H18 O4, db=74.11, overall=37.06, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {409.3186, 12.504228, "Meta"} -> 
    {{149412, 124956, 143355}, {"", ""}}, {374.2808, 12.501667, "Meta"} -> 
    {{173687, 140506, 145585}, {"3beta-Hydroxychol-4-en-24-oic Acid [ C24 H38 \
O3, db=92.13, overall=46.07, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2756, 12.501445, "Meta"} -> {{217115, 182785, 201086}, {"", ""}}, 
   {356.2712, 12.505676, "Meta"} -> {{312683, 283454, 249009}, 
     {"4,8,12,15,19,21-tetracosahexaenoic acid [ C24 H36 O2, db=94.78, \
overall=47.39, Lipid ID=, KEGG ID= ]", ""}}, {546.153, 12.509251, "Meta"} -> 
    {{28768, 26103, 29577}, {"", ""}}, {331.2721, 12.510544, "Meta"} -> 
    {{37175, 26085, 21739}, {"", ""}}, {449.314, 12.51639, "Meta"} -> 
    {{846933, 736656, 735968}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, \
db=99.24, overall=49.62, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {562.2545, 12.516361, "Meta"} -> {{19983, 16278, 1}, 
     {"Protoporphyrin [ C34 H34 N4 O4, db=70.11, overall=35.05, KEGG \
ID=C01079, CAS ID=553-12-8 ]", "553-12-8"}}, {505.2343, 12.514931, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {487.2613, 12.517092, "Meta"} -> 
    {{38906, 35183, 34144}, {"", ""}}, {942.5912, 12.517724, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {391.3102, 12.521373, "Meta"} -> 
    {{69223, 61483, 26928}, {"N,N-(2,2-dihydroxy-ethyl) arachidonoyl amine [ \
C24 H41 N O3, db=41.49, overall=20.74, Lipid ID=LMFA08020028, KEGG ID= ]", 
      ""}}, {768.484, 12.522172, "Meta"} -> {{1, 1, 34544}, {"", ""}}, 
   {547.2912, 12.518182, "Meta"} -> {{35037, 45588, 46536}, {"", ""}}, 
   {763.5285, 12.522705, "Meta"} -> {{37642, 32461, 36788}, {"", ""}}, 
   {612.2584, 12.528093, "Meta"} -> {{121085, 66520, 41886}, {"", ""}}, 
   {537.3427, 12.543621, "Meta"} -> {{64236, 54485, 45157}, 
     {"GPEtn(10:0/11:0)[U] [ C26 H52 N O8 P, db=59.82, overall=29.91, Lipid \
ID=LMGP02010053, KEGG ID= ]", ""}}, {425.2543, 12.535178, "Meta"} -> 
    {{21061, 18660, 1}, {"GPEtn(14:0/0:0) [ C19 H40 N O7 P, db=66.09, \
overall=33.05, Lipid ID=LMGP02050003, KEGG ID= ]", ""}}, 
   {557.4136, 12.545144, "Meta"} -> {{274133, 230338, 263823}, {"", ""}}, 
   {355.2721, 12.554709, "Meta"} -> {{157521, 1, 120813}, {"", ""}}, 
   {225.2089, 12.554222, "Meta"} -> {{166715, 158693, 133424}, {"", ""}}, 
   {650.3645, 12.549894, "Meta"} -> {{40156, 1, 1}, 
     {"Digoxigenin bisdigitoxoside [ C35 H54 O11, db=73.18, overall=36.59, \
KEGG ID=, CAS ID=5297-05-2 ]", "5/2/97"}}, {580.2348, 12.5748005, "Meta"} -> 
    {{118581, 87901, 1}, {"", ""}}, {501.3662, 12.573688, "Meta"} -> 
    {{95608, 87135, 96287}, {"", ""}}, {434.2881, 12.585032, "Meta"} -> 
    {{54709, 1111442, 1}, {"(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitam\
in D3 3-oxide / (5Z)-(3S)-1alpha,25-dihydroxy-3-deo [ C26 H42 O3 S, db=73.08, \
overall=36.54, Lipid ID=LMST03020052, KEGG ID= ]", ""}}, 
   {467.3008, 12.5836935, "Meta"} -> {{7653301, 4891772, 990687}, 
     {"Myristoyl L-a-lysophosphatidylcholine [ C22 H46 N O7 P, db=97.87, \
overall=48.94, KEGG ID=, CAS ID=20559-16-4 ]", "20559-16-4"}}, 
   {505.2486, 12.583806, "Meta"} -> {{385045, 268929, 58860}, {"", ""}}, 
   {565.2755, 12.582859, "Meta"} -> {{284972, 228781, 60575}, 
     {" [ C32 H39 N O8, overall=43.39, mfg=86.78 ]", ""}}, 
   {451.3146, 12.585577, "Meta"} -> {{292030, 555196, 1}, {"", ""}}, 
   {279.2563, 12.585971, "Meta"} -> {{1034786, 1060844, 1002215}, {"", ""}}, 
   {319.2485, 12.586908, "Meta"} -> {{823882, 870786, 757346}, 
     {"N-hydroxy arachidonoyl amine [ C20 H33 N O2, db=80.38, overall=40.19, \
Lipid ID=LMFA08020029, KEGG ID= ]", ""}}, {625.3125, 12.582887, "Meta"} -> 
    {{55555, 50026, 1}, {"", ""}}, {499.2697, 12.597638, "Meta"} -> 
    {{437630, 338702, 60097}, {"", ""}}, {584.4132, 12.599159, "Meta"} -> 
    {{352470, 1, 332252}, {"", ""}}, {601.4399, 12.599721, "Meta"} -> 
    {{263578, 230611, 254107}, {"", ""}}, {246.2193, 12.616779, "Meta"} -> 
    {{125418, 110320, 116227}, {"", ""}}, {367.4175, 12.6358, "Meta"} -> 
    {{17189, 16699, 18368}, {"", ""}}, {579.2638, 12.629876, "Meta"} -> 
    {{186089, 131275, 1}, {"", ""}}, {541.3169, 12.629602, "Meta"} -> 
    {{1703370, 875154, 1}, {"", ""}}, {639.2913, 12.632768, "Meta"} -> 
    {{63219, 1, 1}, 
     {" [ C33 H41 N3 O10, db=0.00, overall=27.22, mfg=54.45 ]", ""}}, 
   {425.3506, 12.640696, "Meta"} -> {{1536798, 1617464, 227368}, {"", ""}}, 
   {185.1413, 12.638656, "Meta"} -> {{1, 97336, 104118}, 
     {"N-methyl-Gabapentin [ C10 H19 N O2, db=81.22, overall=40.61, KEGG ID=, \
CAS ID=102937-74-6 ]", "102937-74-6"}}, {285.2666, 12.643584, "Meta"} -> 
    {{23773, 24477, 26523}, {"C17 Sphingosine [ C17 H35 N O2, db=57.52, \
overall=28.76, Lipid ID=LMSP01040002, KEGG ID= ]", ""}}, 
   {327.277, 12.625759, "Meta"} -> {{81803, 58817, 93310}, {"", ""}}, 
   {821.5705, 12.638498, "Meta"} -> {{32477, 29815, 32051}, {"", ""}}, 
   {268.24, 12.642863, "Meta"} -> {{52366, 122003, 100848}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=79.16, overall=39.58, Lipid \
ID=LMFA01030060, KEGG ID= ]", ""}}, {545.3922, 12.643999, "Meta"} -> 
    {{80951, 75891, 77233}, {"", ""}}, {302.1891, 12.6535015, "Meta"} -> 
    {{53462, 26553, 47381}, {"2-Methoxyestradiol [ C19 H26 O3, db=65.37, \
overall=32.69, HMP ID=HMDB00405, KEGG ID= ]", ""}}, 
   {650.4213, 12.651346, "Meta"} -> {{250306, 217597, 226807}, {"", ""}}, 
   {645.466, 12.651555, "Meta"} -> {{236455, 209301, 210601}, {"", ""}}, 
   {335.2434, 12.66379, "Meta"} -> {{587352, 1, 619711}, {"", ""}}, 
   {256.2034, 12.661515, "Meta"} -> {{84378, 79106, 1}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=61.28, overall=30.64, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {493.3169, 12.66411, "Meta"} -> 
    {{1455365, 895757, 237714}, {"", ""}}, {531.2641, 12.663871, "Meta"} -> 
    {{93259, 61852, 20201}, {"", ""}}, {590.3068, 12.671346, "Meta"} -> 
    {{83092, 63799, 77208}, {"D-Urobilinogen [ C33 H42 N4 O6, db=52.07, \
overall=26.03, HMP ID=HMDB04158, KEGG ID= ]", ""}}, 
   {396.1935, 12.680503, "Meta"} -> {{1, 68273, 62457}, 
     {"Pregnenolone sulfate [ C21 H32 O5 S, db=36.59, overall=18.29, HMP \
ID=HMDB00774, KEGG ID= ]", ""}}, {632.5102, 12.680666, "Meta"} -> 
    {{1, 1, 72448}, {"", ""}}, {865.5968, 12.684233, "Meta"} -> 
    {{34398, 29529, 36548}, {"", ""}}, {395.2349, 12.689027, "Meta"} -> 
    {{1, 102506, 67452}, {"", ""}}, {379.2488, 12.687057, "Meta"} -> 
    {{997104, 883935, 643626}, {"Sphingosine-1-phosphate [ C18 H38 N O5 P, \
db=99.36, overall=49.68, KEGG ID=, CAS ID=26993-30-6 ]", "26993-30-6"}}, 
   {319.2487, 12.687944, "Meta"} -> {{2414029, 1752061, 2222276}, 
     {"N-hydroxy arachidonoyl amine [ C20 H33 N O2, db=82.57, overall=41.29, \
Lipid ID=LMFA08020029, KEGG ID= ]", ""}}, {279.2564, 12.689749, "Meta"} -> 
    {{2902042, 3173226, 3316616}, {"", ""}}, {342.3243, 12.690058, "Meta"} -> 
    {{84295, 106722, 74915}, {"", ""}}, {352.236, 12.696232, "Meta"} -> 
    {{187764, 175034, 269078}, {"", ""}}, {180.0781, 12.695332, "Meta"} -> 
    {{65012, 65701, 87903}, {"o-Methoxyhydrocinnamic acid [ C10 H12 O3, \
db=82.64, overall=41.32, KEGG ID=, CAS ID= ]", ""}}, 
   {314.1855, 12.695227, "Meta"} -> {{370328, 356075, 579472}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=73.03, overall=36.52, KEGG ID=, \
CAS ID=38030-57-8 ]", "38030-57-8"}}, {309.2304, 12.69561, "Meta"} -> 
    {{645038, 627460, 875823}, {"", ""}}, {475.2699, 12.694333, "Meta"} -> 
    {{123320, 99124, 1}, {"", ""}}, {236.1406, 12.695944, "Meta"} -> 
    {{48693, 39168, 62573}, {"", ""}}, {689.4924, 12.699888, "Meta"} -> 
    {{211686, 184543, 122956}, {"", ""}}, {672.4659, 12.699749, "Meta"} -> 
    {{247457, 222653, 231146}, {"", ""}}, {609.351, 12.6962595, "Meta"} -> 
    {{15647, 1, 1}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl [ C32 H51 N O10, \
db=94.76, overall=47.38, HMP ID=HMDB02474, KEGG ID= ]", ""}}, 
   {382.2147, 12.704666, "Meta"} -> {{1, 1, 1}, {"3,12-Dioxochola-1,4,9(11)-t\
rien-24-oic Acid [ C24 H30 O4, db=73.34, overall=36.67, Lipid ID=, KEGG ID= \
]", ""}}, {589.4187, 12.706942, "Meta"} -> {{58287, 59905, 57369}, {"", ""}}, 
   {307.2718, 12.7117195, "Meta"} -> {{17316, 26713, 15887}, {"", ""}}, 
   {270.2192, 12.709618, "Meta"} -> {{1, 59290, 177007}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=85.03, overall=42.52, Lipid \
ID=LMFA01060051, KEGG ID= ]", ""}}, {537.217, 12.694345, "Meta"} -> 
    {{21246, 18772, 1}, {"", ""}}, {499.2698, 12.711946, "Meta"} -> 
    {{321552, 232253, 112970}, {"", ""}}, {300.2299, 12.716436, "Meta"} -> 
    {{80025, 88478, 1}, {"4-methyl-hexadecanedioic acid [ C17 H32 O4, \
db=79.78, overall=39.89, Lipid ID=, KEGG ID= ]", ""}}, 
   {630.4941, 12.715778, "Meta"} -> {{139046, 143887, 47327}, {"", ""}}, 
   {252.2085, 12.716553, "Meta"} -> {{15269, 19541, 33517}, 
     {"2E,4E-hexadecadienoic acid [ C16 H28 O2, db=73.15, overall=36.57, \
Lipid ID=, KEGG ID= ]", ""}}, {914.5783, 12.727905, "Meta"} -> 
    {{1, 37699, 34924}, {"", ""}}, {280.2014, 12.73493, "Meta"} -> 
    {{35787, 46406, 54737}, 
     {"12S-HHTrE [ C17 H28 O3, db=42.31, overall=21.16, KEGG ID=, CAS ID= ]", 
      ""}}, {329.2928, 12.71444, "Meta"} -> {{892021, 984718, 1009964}, 
     {"", ""}}, {355.2179, 12.744277, "Meta"} -> {{75971, 74334, 81209}, 
     {"p-Hydroxypropoxyphene [ C22 H29 N O3, db=63.66, overall=31.83, KEGG \
ID=, CAS ID=43117-32-4 ]", "43117-32-4"}}, {240.2085, 12.740068, "Meta"} -> 
    {{29779, 1, 1}, {"2-pentadecenoic acid [ C15 H28 O2, db=72.07, \
overall=36.04, Lipid ID=, KEGG ID= ]", ""}}, {573.2378, 12.738915, "Meta"} -> 
    {{1, 20191, 1}, {"", ""}}, {874.5164, 12.745845, "Meta"} -> 
    {{90053, 75604, 28683}, {"Ivermectin B1a [ C48 H74 O14, db=21.59, \
overall=10.80, KEGG ID=C07970, CAS ID=71827-03-7 ]", "71827-03-7"}}, 
   {615.29, 12.742728, "Meta"} -> {{82283, 43863, 30689}, {"", ""}}, 
   {393.2191, 12.747176, "Meta"} -> {{97558, 105228, 137397}, {"", ""}}, 
   {733.5184, 12.745, "Meta"} -> {{168259, 148919, 169410}, {"", ""}}, 
   {716.4917, 12.745065, "Meta"} -> {{194270, 166743, 184969}, {"", ""}}, 
   {517.3169, 12.746193, "Meta"} -> {{5206278, 2888828, 855698}, 
     {"Linolenoyl lysolecithin [ C26 H48 N O7 P, db=99.00, overall=49.50, \
KEGG ID=, CAS ID=63163-01-9 ]", "63163-01-9"}}, 
   {555.2641, 12.744076, "Meta"} -> {{300275, 1, 1}, 
     {"Leucine Enkephalin [ C28 H37 N5 O7, db=46.08, overall=23.04, KEGG ID=, \
CAS ID=81678-16-2 ]", "81678-16-2"}}, {1096.581, 12.747542, "Meta"} -> 
    {{194500, 167799, 24640}, {"", ""}}, {1058.6335, 12.748626, "Meta"} -> 
    {{559183, 1, 1}, {"", ""}}, {451.2698, 12.751194, "Meta"} -> 
    {{150831, 128916, 94509}, {"", ""}}, {1104.6042, 12.750401, "Meta"} -> 
    {{98091, 31557, 1}, {"", ""}}, {594.238, 12.752146, "Meta"} -> 
    {{101336, 64174, 17828}, {"", ""}}, {1661.8961, 12.749751, "Meta"} -> 
    {{178528, 53501, 1}, {"", ""}}, {295.2514, 12.752306, "Meta"} -> 
    {{9878419, 9524153, 1.12*^7}, {"", ""}}, {646.5257, 12.745705, "Meta"} -> 
    {{35921, 46322, 42143}, {"", ""}}, {654.2522, 12.751028, "Meta"} -> 
    {{170200, 121256, 30880}, {"", ""}}, {541.3161, 12.752888, "Meta"} -> 
    {{1.87*^7, 1.1*^7, 2941926}, {"", ""}}, {597.2377, 12.750058, "Meta"} -> 
    {{154865, 122970, 1}, {"", ""}}, {579.2647, 12.7531395, "Meta"} -> 
    {{1047504, 714188, 282247}, 
     {" [ C32 H39 N2 O8, db=0.00, overall=32.44, mfg=64.87 ]", ""}}, 
   {710.2763, 12.752368, "Meta"} -> {{46183, 25528, 1}, {"", ""}}, 
   {639.2909, 12.752972, "Meta"} -> {{264741, 241117, 96609}, 
     {" [ C33 H41 N3 O10, db=0.00, overall=34.40, mfg=68.80 ]", ""}}, 
   {563.2865, 12.751833, "Meta"} -> {{113734, 54657, 1}, {"", ""}}, 
   {278.2243, 12.768029, "Meta"} -> {{212092, 205194, 262769}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=76.66, overall=38.33, Lipid \
ID=LMFA01030148, KEGG ID= ]", ""}}, {958.6044, 12.764857, "Meta"} -> 
    {{42143, 36386, 30646}, {"", ""}}, {1613.8976, 12.766002, "Meta"} -> 
    {{90047, 44200, 1}, {"", ""}}, {358.1711, 12.782434, "Meta"} -> 
    {{45114, 52439, 55610}, {"", ""}}, {298.1468, 12.782714, "Meta"} -> 
    {{58496, 63639, 58450}, {"", ""}}, {345.1374, 12.7813015, "Meta"} -> 
    {{28303, 1, 1}, {"", ""}}, {200.1773, 12.781779, "Meta"} -> 
    {{122014, 129248, 122447}, {"Lauric acid [ C12 H24 O2, db=93.72, \
overall=46.86, KEGG ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, 
   {214.1929, 12.781723, "Meta"} -> {{77430, 85107, 71937}, 
     {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, db=85.75, overall=42.87, \
KEGG ID=, CAS ID= ]", ""}}, {254.224, 12.784, "Meta"} -> 
    {{109112, 1, 105224}, {"7-palmitoleic acid [ C16 H30 O2, db=89.68, \
overall=44.84, Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, 
   {1072.5817, 12.78529, "Meta"} -> {{383095, 197489, 32704}, {"", ""}}, 
   {777.5449, 12.788111, "Meta"} -> {{121661, 111237, 122273}, {"", ""}}, 
   {294.2171, 12.80724, "Meta"} -> {{84624, 106931, 128124}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=65.45, overall=32.73, \
Lipid ID=, KEGG ID= ]", ""}}, {986.6337, 12.798241, "Meta"} -> 
    {{639491, 242546, 1}, {"", ""}}, {483.3767, 12.801028, "Meta"} -> 
    {{127263, 114142, 124046}, {"", ""}}, {466.3504, 12.800827, "Meta"} -> 
    {{168781, 206428, 193580}, {"", ""}}, {515.2983, 12.801221, "Meta"} -> 
    {{2974056, 2055253, 333558}, {"", ""}}, {272.1993, 12.802755, "Meta"} -> 
    {{1, 48931, 144990}, {"3-methyl-tetradecanedioic acid [ C15 H28 O4, \
db=87.86, overall=43.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {1002.6305, 12.8012295, "Meta"} -> {{42887, 30845, 25899}, {"", ""}}, 
   {1024.5826, 12.804735, "Meta"} -> {{334775, 178981, 1}, {"", ""}}, 
   {591.2919, 12.809055, "Meta"} -> {{309832, 273788, 93795}, 
     {" [ C34 H41 N O8, db=0.00, overall=41.36, mfg=82.72 ]", ""}}, 
   {606.2508, 12.808973, "Meta"} -> {{138189, 104832, 23615}, {"", ""}}, 
   {493.3159, 12.811169, "Meta"} -> {{1.5*^7, 9897557, 2430333}, {"", ""}}, 
   {531.2643, 12.810324, "Meta"} -> {{765527, 586023, 157705}, {"", ""}}, 
   {549.2373, 12.808871, "Meta"} -> {{103819, 71166, 1}, {"", ""}}, 
   {454.3057, 12.813647, "Meta"} -> {{32546, 30083, 35386}, 
     {"26,26,26-trifluoro-25-hydroxyvitamin D3 / \
26,26,26-trifluoro-25-hydroxycholecalciferol [ C27 H41 F3 O2, db=85.90, \
overall=42.95, Lipid ID=LMST03020131, KEGG ID= ]", ""}}, 
   {414.3129, 12.812971, "Meta"} -> {{54068, 59472, 75203}, 
     {"1alpha,25-dihydroxy-9,11-didehydrovitamin D_3 / \
1alpha,25-dihydroxy-9,11-didehydrocholecalciferol [ C27 H42 O3, db=82.66, \
overall=41.33, Lipid ID=LMST03020170, KEGG ID= ]", ""}}, 
   {596.2634, 12.8228445, "Meta"} -> {{30188, 37959, 16121}, {"", ""}}, 
   {437.2892, 12.8172, "Meta"} -> {{37151, 34065, 42130}, {"", ""}}, 
   {682.4242, 12.824768, "Meta"} -> {{26750, 26143, 27809}, {"", ""}}, 
   {398.2432, 12.822418, "Meta"} -> {{103678, 62902, 72118}, {"", ""}}, 
   {677.4712, 12.822635, "Meta"} -> {{29586, 29186, 33887}, {"", ""}}, 
   {256.2036, 12.822162, "Meta"} -> {{179724, 170142, 1}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=61.54, overall=30.77, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {826.5262, 12.818275, "Meta"} -> 
    {{161640, 98062, 87144}, {"", ""}}, {280.2011, 12.8328, "Meta"} -> 
    {{1, 1, 1}, 
     {"12S-HHTrE [ C17 H28 O3, db=40.55, overall=20.28, KEGG ID=, CAS ID= ]", 
      ""}}, {821.5706, 12.8296385, "Meta"} -> {{100153, 86294, 75973}, 
     {"", ""}}, {240.2083, 12.832307, "Meta"} -> 
    {{1, 1, 1}, {"2-pentadecenoic acid [ C15 H28 O2, db=72.97, overall=36.49, \
Lipid ID=, KEGG ID= ]", ""}}, {527.403, 12.835585, "Meta"} -> 
    {{240557, 213770, 253369}, {"", ""}}, {510.3765, 12.837113, "Meta"} -> 
    {{380905, 332747, 370209}, {"", ""}}, {901.4447, 12.842889, "Meta"} -> 
    {{33385, 28854, 1}, {"", ""}}, {338.2438, 12.854486, "Meta"} -> 
    {{31551, 31403, 32842}, {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=56.30, \
overall=28.15, KEGG ID=, CAS ID= ]", ""}}, {885.4796, 12.842206, "Meta"} -> 
    {{111091, 85397, 27762}, {"", ""}}, {588.2239, 12.856218, "Meta"} -> 
    {{31997, 36030, 57568}, {"", ""}}, {414.1448, 12.856258, "Meta"} -> 
    {{25306, 27860, 57081}, {"", ""}}, {472.187, 12.863851, "Meta"} -> 
    {{18127, 1, 1}, 
     {"Trp His Met [ C22 H28 N6 O4 S, db=36.23, overall=18.12 ]", ""}}, 
   {865.5967, 12.867527, "Meta"} -> {{64234, 57489, 65778}, {"", ""}}, 
   {870.5522, 12.86621, "Meta"} -> {{78303, 64539, 37261}, {"", ""}}, 
   {515.2333, 12.872112, "Meta"} -> {{60334, 58113, 1}, {"", ""}}, 
   {384.1824, 12.871333, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {554.4028, 12.871445, "Meta"} -> {{471440, 440089, 485934}, {"", ""}}, 
   {500.1787, 12.860778, "Meta"} -> {{36948, 37126, 51441}, 
     {"gamma-Hydroxyphenylbutazone glucuronide [ C25 H28 N2 O9, db=78.83, \
overall=39.41, KEGG ID=, CAS ID= ]", ""}}, {444.2075, 12.872678, "Meta"} -> 
    {{1, 1, 43369}, {"", ""}}, {477.2857, 12.872913, "Meta"} -> 
    {{1022283, 841694, 279077}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=70.03, overall=35.02 ]", ""}}, 
   {560.2004, 12.861138, "Meta"} -> {{22031, 23853, 33389}, {"", ""}}, 
   {571.4295, 12.871741, "Meta"} -> {{339777, 305613, 336781}, {"", ""}}, 
   {370.1814, 12.859806, "Meta"} -> {{115896, 104187, 174739}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=96.30, \
overall=48.15, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {468.1503, 12.861229, "Meta"} -> {{19618, 16431, 24850}, {"", ""}}, 
   {352.1708, 12.858888, "Meta"} -> {{37089, 38118, 47772}, {"", ""}}, 
   {286.2145, 12.873165, "Meta"} -> {{270989, 507280, 1819984}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=98.68, overall=49.34, HMP \
ID=HMDB00672, KEGG ID= ]", ""}}, {198.1615, 12.874167, "Meta"} -> 
    {{93089, 162055, 587289}, {"9-lauroleic acid [ C12 H22 O2, db=98.26, \
overall=49.13, Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, 
   {346.2464, 12.87547, "Meta"} -> {{31299, 38415, 1}, {"", ""}}, 
   {303.2406, 12.874667, "Meta"} -> {{75957, 138699, 541878}, {"", ""}}, 
   {110.1092, 12.874167, "Meta"} -> {{29616, 47559, 175416}, {"", ""}}, 
   {331.272, 12.874617, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {312.23, 12.861374, "Meta"} -> {{107604, 47238, 1}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=73.37, \
overall=36.68, Lipid ID=, KEGG ID= ]", ""}}, {360.2661, 12.891426, "Meta"} -> 
    {{81151, 82973, 1}, {"1alpha,23-dihydroxy-24,25,26,27-tetranorvitamin D3 \
/ 1alpha,23-dihydroxy-24,25,26,27-tetranorcholeca [ C23 H36 O3, db=79.75, \
overall=39.88, Lipid ID=LMST03020020, KEGG ID= ]", ""}}, 
   {472.2434, 12.8901825, "Meta"} -> {{49004, 53218, 114017}, {"", ""}}, 
   {548.23, 12.8912735, "Meta"} -> {{1, 20583, 34882}, {"", ""}}, 
   {342.2169, 12.894272, "Meta"} -> {{32716, 43693, 111065}, 
     {"Megestrol [ C22 H30 O3, db=77.08, overall=38.54, KEGG ID=C07120, CAS \
ID=3562-63-8 ]", "3562-63-8"}}, {256.2187, 12.893861, "Meta"} -> 
    {{49781, 56570, 98607}, {"", ""}}, {927.4605, 12.892209, "Meta"} -> 
    {{18332, 14298, 1}, {"", ""}}, {911.496, 12.892471, "Meta"} -> 
    {{27377, 33491, 54045}, {"", ""}}, {539.2333, 12.903911, "Meta"} -> 
    {{92444, 109681, 32279}, {"", ""}}, {501.2855, 12.907584, "Meta"} -> 
    {{1712804, 1750106, 646499}, {"Fexofenadine [ C32 H39 N O4, db=58.07, \
overall=29.03, KEGG ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {861.5497, 12.909751, "Meta"} -> {{14625, 16710, 1}, {"", ""}}, 
   {519.3325, 12.914667, "Meta"} -> {{52214, 4.59*^7, 1.07*^7}, 
     {"1-Linoleoylphosphatidylcholine [ C26 H50 N O7 P, db=99.74, \
overall=49.87, KEGG ID=, CAS ID=5655-12-9 ]", "12/9/55"}}, 
   {1012.6501, 12.914031, "Meta"} -> {{838586, 585177, 28395}, {"", ""}}, 
   {635.2734, 12.919773, "Meta"} -> {{47768, 38356, 23501}, {"", ""}}, 
   {1076.6128, 12.916134, "Meta"} -> {{595745, 423627, 144890}, {"", ""}}, 
   {557.2806, 12.91837, "Meta"} -> {{1131075, 886856, 682064}, {"", ""}}, 
   {541.3017, 12.946648, "Meta"} -> {{133455, 79032, 39989}, {"", ""}}, 
   {688.2915, 12.91703, "Meta"} -> {{99390, 85826, 43213}, {"", ""}}, 
   {853.5446, 12.919279, "Meta"} -> {{64391, 71489, 95181}, {"", ""}}, 
   {632.2664, 12.917572, "Meta"} -> {{159417, 147043, 85544}, {"", ""}}, 
   {1091.581, 12.917712, "Meta"} -> {{148541, 108491, 24014}, {"", ""}}, 
   {183.0655, 12.927937, "Meta"} -> {{288560, 170886, 1}, {"", ""}}, 
   {1060.6475, 12.934857, "Meta"} -> {{4161507, 2.02*^7, 73036}, {"", ""}}, 
   {1044.618, 12.990282, "Meta"} -> {{407742, 428777, 34807}, {"", ""}}, 
   {2658.6086, 13.000936, "Meta"} -> {{1, 115082, 565880}, {"", ""}}, 
   {239.0918, 12.93324, "Meta"} -> {{32744, 1, 15359}, {"", ""}}, 
   {1619.9443, 12.934193, "Meta"} -> {{265690, 206950, 36319}, {"", ""}}, 
   {1000.6499, 12.928946, "Meta"} -> {{1137548, 689648, 47287}, {"", ""}}, 
   {481.3173, 12.937497, "Meta"} -> {{3249615, 3234293, 513491}, 
     {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=99.47, overall=49.74, Lipid \
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    {{540801, 302518, 107209}, {"", ""}}, {519.2655, 12.939625, "Meta"} -> 
    {{122217, 136209, 33677}, {"", ""}}, {617.3076, 12.924249, "Meta"} -> 
    {{231488, 262307, 207819}, {"", ""}}, {1661.919, 13.038292, "Meta"} -> 
    {{1, 1, 53160}, {"", ""}}, {659.482, 12.942501, "Meta"} -> 
    {{389629, 389556, 473973}, {"", ""}}, {953.6495, 12.939168, "Meta"} -> 
    {{31348, 28226, 1}, {"", ""}}, {642.4556, 12.942776, "Meta"} -> 
    {{495390, 459095, 545927}, {"", ""}}, {543.3319, 12.949862, "Meta"} -> 
    {{2.44*^7, 1.86*^7, 3412140}, {"Arachidonyl lysolecithin [ C28 H50 N O7 \
P, db=98.77, overall=49.38, KEGG ID=, CAS ID=63163-02-0 ]", "63163-02-0"}}, 
   {581.2797, 12.951424, "Meta"} -> {{631558, 588351, 215180}, {"", ""}}, 
   {656.2662, 12.954677, "Meta"} -> {{78741, 71496, 1}, {"", ""}}, 
   {1673.9594, 13.010462, "Meta"} -> {{51696, 50453, 35811}, {"", ""}}, 
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   {374.2817, 12.962293, "Meta"} -> {{46940, 55391, 112975}, 
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   {791.5607, 13.040998, "Meta"} -> {{188525, 216051, 340897}, 
     {"Phosphatidylserine [ C42 H82 N O10 P, db=66.35, overall=33.17, HMP \
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   {617.3007, 13.047851, "Meta"} -> {{78844, 204407, 537170}, {"", ""}}, 
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   {1643.9438, 13.05885, "Meta"} -> {{348661, 321176, 360031}, {"", ""}}, 
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    {{37800, 36895, 68030}, {"", ""}}, {581.2799, 13.083571, "Meta"} -> 
    {{490287, 493376, 668573}, 
     {" [ C32 H41 N2 O8, db=0.00, overall=32.80, mfg=65.61 ]", ""}}, 
   {1109.1458, 13.055641, "Meta"} -> {{22153, 22201, 23300}, {"", ""}}, 
   {1148.6106, 13.078375, "Meta"} -> {{118104, 106996, 1}, {"", ""}}, 
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   {413.1753, 13.097616, "Meta"} -> {{25666, 43415, 62727}, 
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   {368.1178, 13.0997505, "Meta"} -> {{165870, 223972, 613246}, {"", ""}}, 
   {428.1498, 13.105187, "Meta"} -> {{16624, 36719, 154628}, {"", ""}}, 
   {884.5686, 13.102304, "Meta"} -> {{187718, 150075, 1}, {"", ""}}, 
   {879.6129, 13.101585, "Meta"} -> {{176913, 189548, 226893}, 
     {"C22-OH Sulfatide [ C46 H89 N O12 S, db=91.18, overall=45.59, Lipid \
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    {{340284, 296178, 46001}, {"", ""}}, {1014.6646, 13.105733, "Meta"} -> 
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   {1547.9456, 13.121827, "Meta"} -> {{244133, 180067, 54264}, {"", ""}}, 
   {533.28, 13.1384115, "Meta"} -> {{950038, 386235, 269412}, {"", ""}}, 
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   {923.6393, 13.128447, "Meta"} -> {{148473, 154224, 186097}, {"", ""}}, 
   {369.2878, 13.135938, "Meta"} -> {{24570, 42946, 40437}, 
     {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, db=66.03, overall=33.01, \
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    {{3438162, 1927055, 1126131}, {"Linolenoyl lysolecithin [ C26 H48 N O7 P, \
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   {280.2016, 13.128001, "Meta"} -> {{21314, 1, 55246}, 
     {"12S-HHTrE [ C17 H28 O3, db=67.26, overall=33.63, KEGG ID=, CAS ID= ]", 
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     {"Digitoxigenin [ C23 H34 O4, db=51.93, overall=25.96, KEGG ID=, CAS \
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    {{66219, 88628, 225306}, {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 \
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   {967.665, 13.152544, "Meta"} -> {{117624, 121429, 138344}, {"", ""}}, 
   {859.5254, 13.156605, "Meta"} -> {{89594, 127279, 30607}, {"", ""}}, 
   {284.235, 13.1601715, "Meta"} -> {{112308, 258047, 33843}, 
     {"2-oxo-heptadecanoic acid [ C17 H32 O3, db=99.17, overall=49.59, Lipid \
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    {{69714, 56174, 80320}, {"", ""}}, {415.1816, 13.160233, "Meta"} -> 
    {{33804, 55186, 13436}, 
     {"Pro His Tyr [ C20 H25 N5 O5, db=56.87, overall=28.44 ]", ""}}, 
   {400.2138, 13.160443, "Meta"} -> {{92209, 182615, 32583}, 
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   {360.0762, 13.162133, "Meta"} -> {{1, 24199, 22094}, {"", ""}}, 
   {418.1866, 13.1605, "Meta"} -> {{27413, 47750, 1}, 
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   {435.2755, 13.168929, "Meta"} -> {{44224, 38845, 41730}, {"", ""}}, 
   {362.278, 13.161973, "Meta"} -> {{70224, 164143, 44321}, {"", ""}}, 
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   {210.198, 13.161266, "Meta"} -> {{23617, 56905, 1}, 
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   {568.4186, 13.170556, "Meta"} -> {{241939, 1, 300398}, {"", ""}}, 
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   {396.2874, 13.171314, "Meta"} -> {{15814, 26567, 149777}, 
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    {{106947, 64967, 407214}, {"", ""}}, {413.3138, 13.174972, "Meta"} -> 
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     {"Trp Met Arg [ C22 H33 N7 O4 S, db=87.08, overall=43.54 ]", ""}}, 
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     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=99.55, overall=49.78, Lipid \
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    {{1, 1, 1}, {"", ""}}, {629.4713, 13.1857195, "Meta"} -> 
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    {{422039, 361890, 698766}, {"1,2-dioleoyl-sn-Glycero-3-Phosphate [ C39 \
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   {503.3012, 13.232915, "Meta"} -> {{61414, 40136, 62053}, {"", ""}}, 
   {717.5241, 13.237333, "Meta"} -> {{358419, 449345, 647461}, 
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    {{222567, 246556, 173655}, {"", ""}}, {462.2955, 13.254001, "Meta"} -> 
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   {819.592, 13.497973, "Meta"} -> {{679868, 748018, 864964}, {"", ""}}, 
   {802.5656, 13.49772, "Meta"} -> {{1, 730600, 846317}, 
     {"1-heptadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosph\
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ID= ]", ""}}, {479.337, 13.495556, "Meta"} -> {{1.26*^7, 8228834, 4355788}, 
     {"", ""}}, {1165.6327, 13.499093, "Meta"} -> {{208871, 122579, 43867}, 
     {"", ""}}, {1151.618, 13.505199, "Meta"} -> {{245092, 185450, 1}, 
     {"", ""}}, {988.6857, 13.50629, "Meta"} -> {{781605, 349209, 26919}, 
     {"", ""}}, {339.2883, 13.506903, "Meta"} -> {{1, 229449, 304971}, 
     {"", ""}}, {517.285, 13.498918, "Meta"} -> {{254594, 173686, 136556}, 
     {"", ""}}, {765.5234, 13.503918, "Meta"} -> {{121535, 127303, 154668}, 
     {"", ""}}, {1399.899, 13.508409, "Meta"} -> {{55241, 55504, 63909}, 
     {"", ""}}, {1050.7004, 13.5051985, "Meta"} -> 
    {{450346, 390380, 1}, {"", ""}}, {1026.6353, 13.507728, "Meta"} -> 
    {{87354, 1, 1}, {"", ""}}, {1092.7122, 13.491323, "Meta"} -> 
    {{770640, 430623, 40215}, {"", ""}}, {477.1903, 13.515063, "Meta"} -> 
    {{42708, 35082, 85342}, {"3,5-Pyridinedicarboxylic acid, \
2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino] [ C26 \
H27 N3 O6, db=52.47, overall=26.23, KEGG ID=, CAS ID=59875-58-0 ]", 
      "59875-58-0"}}, {279.2562, 13.510799, "Meta"} -> 
    {{886869, 1208863, 1367198}, {"", ""}}, {1123.622, 13.4977045, "Meta"} -> 
    {{77722, 60699, 37467}, {"", ""}}, {598.2433, 13.509795, "Meta"} -> 
    {{33905, 32773, 55510}, {"", ""}}, {846.5917, 13.509481, "Meta"} -> 
    {{180712, 851026, 942278}, {"", ""}}, {863.6182, 13.510503, "Meta"} -> 
    {{822659, 846438, 894519}, {"C22 Sulfatide [ C46 H89 N O11 S, db=87.95, \
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   {885.5996, 13.517038, "Meta"} -> {{67826, 74163, 117528}, {"", ""}}, 
   {612.2584, 13.509334, "Meta"} -> {{409655, 347969, 419338}, {"", ""}}, 
   {580.2323, 13.509277, "Meta"} -> {{630833, 542768, 638852}, {"", ""}}, 
   {547.2957, 13.523854, "Meta"} -> {{397160, 348767, 75550}, {"", ""}}, 
   {644.2847, 13.51143, "Meta"} -> {{1, 1, 1011445}, {"", ""}}, 
   {509.3475, 13.52603, "Meta"} -> {{1.54*^7, 1.42*^7, 2076947}, {"", ""}}, 
   {658.2652, 13.513304, "Meta"} -> {{73863, 50459, 94054}, {"", ""}}, 
   {607.3208, 13.524964, "Meta"} -> {{173720, 163330, 1}, {"", ""}}, 
   {907.6449, 13.525166, "Meta"} -> {{946169, 1063133, 1110492}, 
     {"3-O-Sulfogalactosylceramide [ C48 H93 N O12 S, db=86.45, \
overall=43.23, HMP ID=HMDB00024, KEGG ID= ]", ""}}, 
   {890.6182, 13.524207, "Meta"} -> {{1008080, 810925, 1102859}, {"", ""}}, 
   {720.3006, 13.519515, "Meta"} -> {{41768, 36828, 37595}, {"", ""}}, 
   {672.2796, 13.517088, "Meta"} -> {{303673, 276320, 357406}, {"", ""}}, 
   {571.3639, 13.521864, "Meta"} -> {{4941252, 4430009, 926164}, {"", ""}}, 
   {354.2171, 13.571854, "Meta"} -> {{77588, 58133, 34730}, 
     {"Levonorgestrel acetate [ C23 H30 O3, db=64.58, overall=32.29, KEGG \
ID=, CAS ID=13732-69-9 ]", "13732-69-9"}}, {814.5046, 13.536868, "Meta"} -> 
    {{78077, 1, 93661}, {"", ""}}, {809.5497, 13.531092, "Meta"} -> 
    {{71690, 88012, 113933}, {"", ""}}, {734.3164, 13.525888, "Meta"} -> 
    {{123106, 99212, 114978}, {"", ""}}, {299.2825, 13.542036, "Meta"} -> 
    {{78409, 116755, 36716}, {"3-Dehydrosphinganine [ C18 H37 N O2, db=93.67, \
overall=46.83, KEGG ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {706.3211, 13.528087, "Meta"} -> {{59493, 57814, 62370}, {"", ""}}, 
   {1369.8884, 13.563042, "Meta"} -> {{109355, 1, 39079}, {"", ""}}, 
   {934.6437, 13.537066, "Meta"} -> {{163871, 64718, 834552}, {"", ""}}, 
   {951.6706, 13.535638, "Meta"} -> {{974123, 812628, 1148059}, {"", ""}}, 
   {395.3035, 13.538113, "Meta"} -> {{268619, 380085, 76043}, {"", ""}}, 
   {400.2588, 13.538917, "Meta"} -> {{690992, 878852, 239911}, 
     {"Ophiobolin A [ C25 H36 O4, db=54.29, overall=27.15, Lipid \
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    {{236458, 204567, 61790}, {"Diphenoxylate [ C30 H32 N2 O2, db=83.13, \
overall=41.56, KEGG ID=C07872, CAS ID=915-30-0 ]", "915-30-0"}}, 
   {354.2765, 13.544889, "Meta"} -> {{6970236, 7103255, 1773173}, 
     {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 O4, db=86.35, \
overall=43.17, KEGG ID=, CAS ID= ]", ""}}, {491.2062, 13.533772, "Meta"} -> 
    {{66860, 91077, 78031}, 
     {"Tyr Phe Tyr [ C27 H29 N3 O6, db=57.52, overall=28.76 ]", ""}}, 
   {414.3093, 13.543919, "Meta"} -> {{660201, 686800, 187964}, {"", ""}}, 
   {371.3036, 13.545373, "Meta"} -> {{2010762, 2207788, 499863}, {"", ""}}, 
   {1000.6522, 13.561621, "Meta"} -> {{127908, 106675, 944608}, {"", ""}}, 
   {995.6966, 13.547221, "Meta"} -> {{791994, 728542, 777311}, {"", ""}}, 
   {262.2296, 13.545572, "Meta"} -> {{390516, 399153, 95557}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=92.20, overall=46.10, Lipid \
ID=, KEGG ID= ]", ""}}, {396.2665, 13.645791, "Meta"} -> 
    {{53429, 1, 42360}, {"", ""}}, {508.8397, 13.549695, "Meta"} -> 
    {{145258, 148906, 209373}, {"", ""}}, {1022.6367, 13.552206, "Meta"} -> 
    {{105903, 1, 1}, {"", ""}}, {267.2559, 13.55222, "Meta"} -> 
    {{156915, 162309, 216976}, {"", ""}}, {853.5758, 13.555092, "Meta"} -> 
    {{59387, 63987, 79084}, {"", ""}}, {501.2539, 13.558999, "Meta"} -> 
    {{43693, 28913, 30870}, {"", ""}}, {858.5316, 13.556654, "Meta"} -> 
    {{1, 1, 60020}, {"", ""}}, {1028.648, 13.573232, "Meta"} -> 
    {{134159, 109221, 1}, {"", ""}}, {837.5203, 13.564915, "Meta"} -> 
    {{73919, 48107, 37314}, {"", ""}}, {519.8613, 13.559681, "Meta"} -> 
    {{57047, 969725, 1088510}, {"", ""}}, {1056.7491, 13.56075, "Meta"} -> 
    {{125700, 160357, 227850}, {"", ""}}, {530.8529, 13.562063, "Meta"} -> 
    {{156221, 174636, 1}, {"", ""}}, {463.3064, 13.56053, "Meta"} -> 
    {{1468850, 821012, 978803}, {"", ""}}, {334.1441, 13.569034, "Meta"} -> 
    {{58605, 47464, 118903}, 
     {"Arg Cys Gly [ C11 H22 N6 O4 S, db=50.72, overall=25.36 ]", ""}}, 
   {376.1987, 13.568419, "Meta"} -> {{1, 96553, 159150}, 
     {"Glu Thr Lys [ C15 H28 N4 O7, db=67.35, overall=33.68 ]", ""}}, 
   {316.1717, 13.568858, "Meta"} -> {{42433, 41612, 82966}, 
     {"Ala Asn Leu [ C13 H24 N4 O5, db=54.09, overall=27.05 ]", ""}}, 
   {278.2244, 13.568999, "Meta"} -> {{513865, 445009, 430088}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=86.05, overall=43.02, Lipid \
ID=LMFA01030148, KEGG ID= ]", ""}}, {295.2523, 13.578938, "Meta"} -> 
    {{379800, 460745, 482321}, {"", ""}}, {1088.7043, 13.572557, "Meta"} -> 
    {{473739, 377010, 312193}, {"", ""}}, {1110.6956, 13.577559, "Meta"} -> 
    {{1, 144950, 174278}, {"", ""}}, {960.6902, 13.570629, "Meta"} -> 
    {{182864, 79340, 1}, {"", ""}}, {902.5572, 13.5793, "Meta"} -> 
    {{41079, 43393, 37108}, {"", ""}}, {897.6025, 13.580344, "Meta"} -> 
    {{49485, 52206, 58160}, {"", ""}}, {294.2172, 13.592863, "Meta"} -> 
    {{48549, 48216, 1}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=68.48, \
overall=34.24, Lipid ID=, KEGG ID= ]", ""}}, {466.3728, 13.589202, "Meta"} -> 
    {{66371, 76035, 1}, {"", ""}}, {519.3001, 13.581778, "Meta"} -> 
    {{306739, 193835, 108527}, {"", ""}}, {594.2896, 13.585677, "Meta"} -> 
    {{69529, 39536, 1}, 
     {" [ C33 H42 N2 O8, db=0.00, overall=30.00, mfg=60.00 ]", ""}}, 
   {1132.7306, 13.584446, "Meta"} -> {{355171, 284406, 294520}, {"", ""}}, 
   {481.3526, 13.5835, "Meta"} -> {{1.58*^7, 9816873, 4268566}, 
     {"1-O-Hexadecyl-2-lyso-glycero-3-phosphorylcholine [ C24 H52 N O6 P, \
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   {579.3257, 13.584827, "Meta"} -> {{160422, 141170, 84876}, {"", ""}}, 
   {421.3402, 13.600849, "Meta"} -> {{365304, 746247, 79118}, {"", ""}}, 
   {364.2589, 13.5994625, "Meta"} -> {{104037, 116714, 1}, 
     {"11-deoxy-16,16-dimethyl-PGE2 [ C22 H36 O4, db=63.57, overall=31.78, \
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    {{346528, 696934, 52858}, {"", ""}}, {1545.9933, 13.579229, "Meta"} -> 
    {{87008, 44527, 1}, {"", ""}}, {1176.7563, 13.596857, "Meta"} -> 
    {{309032, 357523, 263442}, {"", ""}}, {404.3139, 13.602781, "Meta"} -> 
    {{1743037, 3735656, 35617}, {"", ""}}, {599.8735, 13.598457, "Meta"} -> 
    {{1, 1, 69875}, {"", ""}}, {946.5852, 13.60276, "Meta"} -> 
    {{60224, 24232, 23948}, {"", ""}}, {547.3639, 13.597056, "Meta"} -> 
    {{1.09*^7, 5334671, 1051923}, {"", ""}}, {941.6301, 13.598959, "Meta"} -> 
    {{1, 71594, 46793}, {"", ""}}, {585.3108, 13.596875, "Meta"} -> 
    {{289716, 186673, 1}, {"", ""}}, {358.2483, 13.611223, "Meta"} -> 
    {{1, 45430, 41989}, {"", ""}}, {312.2663, 13.609001, "Meta"} -> 
    {{615425, 1241011, 123666}, {"18-oxo-nonadecanoic acid [ C19 H36 O3, \
db=91.98, overall=45.99, Lipid ID=, KEGG ID= ]", ""}}, 
   {1215.8278, 13.60837, "Meta"} -> {{251165, 469432, 1}, {"", ""}}, 
   {1220.7823, 13.607741, "Meta"} -> {{233600, 146430, 161233}, {"", ""}}, 
   {1232.8549, 13.610902, "Meta"} -> {{1, 1, 230814}, {"", ""}}, 
   {451.3062, 13.630885, "Meta"} -> {{149871, 1, 1}, {"", ""}}, 
   {773.5247, 13.616361, "Meta"} -> {{41984, 1, 1}, {"", ""}}, 
   {1264.8105, 13.619029, "Meta"} -> {{199125, 161059, 108796}, {"", ""}}, 
   {993.6999, 13.622969, "Meta"} -> {{40913, 31334, 20224}, {"", ""}}, 
   {629.9261, 13.618459, "Meta"} -> {{321674, 258175, 213644}, {"", ""}}, 
   {271.2509, 13.618684, "Meta"} -> {{55985, 62163, 113640}, 
     {"2R-aminohexadecanoic acid [ C16 H33 N O2, db=94.88, overall=47.44, \
Lipid ID=, KEGG ID= ]", ""}}, {367.1602, 13.626543, "Meta"} -> 
    {{43083, 36551, 54180}, {"prasterone sulfate [ C19 H27 O5 S, db=49.48, \
overall=24.74, KEGG ID=, CAS ID=78590-17-7 ]", "78590-17-7"}}, 
   {1276.8809, 13.6216545, "Meta"} -> {{147810, 170152, 1}, {"", ""}}, 
   {254.2244, 13.625055, "Meta"} -> {{573840, 491237, 952091}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=96.21, overall=48.11, Lipid \
ID=LMFA01030055, KEGG ID= ]", ""}}, {356.2328, 13.633856, "Meta"} -> 
    {{1, 113680, 59784}, {"Estradiol valerate [ C23 H32 O3, db=47.05, \
overall=23.52, Lipid ID=LMST02010039, KEGG ID=C12859 ]", ""}}, 
   {370.17, 13.628917, "Meta"} -> {{36831, 26710, 62021}, {"", ""}}, 
   {352.1935, 13.626401, "Meta"} -> {{142819, 129669, 233811}, {"", ""}}, 
   {308.235, 13.627833, "Meta"} -> {{4070040, 2736070, 2716710}, 
     {"methyl 9,10-epoxy-12,15-octadecadienoate [ C19 H32 O3, db=72.91, \
overall=36.45, Lipid ID=, KEGG ID= ]", ""}}, {236.2138, 13.625389, "Meta"} -> 
    {{93996, 88114, 94684}, {"6,11-hexadecadienal [ C16 H28 O, db=62.84, \
overall=31.42, Lipid ID=, KEGG ID= ]", ""}}, {512.3476, 13.627999, "Meta"} -> 
    {{1, 90190, 144274}, {"ZK 159222 [ C32 H48 O5, db=76.77, overall=38.39, \
Lipid ID=LMST03020621, KEGG ID= ]", ""}}, {325.2617, 13.630723, "Meta"} -> 
    {{459439, 291647, 297746}, {"50oxo-ETE-d7 [ C20 H23 D7 O3, db=54.79, \
overall=27.39, Lipid ID=LMFA03060083, KEGG ID= ]", ""}}, 
   {472.3549, 13.629856, "Meta"} -> {{1, 44151, 68798}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehydro-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=78.46, overall=39.23, Lipid \
ID=LMST03020462, KEGG ID= ]", ""}}, {290.2243, 13.629774, "Meta"} -> 
    {{189438, 167595, 140809}, {"Androsterone [ C19 H30 O2, db=84.81, \
overall=42.40, KEGG ID=C00523, CAS ID=53-41-8 ]", "53-41-8"}}, 
   {1303.8798, 13.632357, "Meta"} -> {{368819, 110506, 420515}, {"", ""}}, 
   {1308.8383, 13.623311, "Meta"} -> {{116201, 101387, 40759}, {"", ""}}, 
   {1320.9062, 13.631161, "Meta"} -> {{127476, 136969, 220764}, {"", ""}}, 
   {484.3163, 13.628167, "Meta"} -> {{1, 260422, 1}, {"", ""}}, 
   {589.3743, 13.630784, "Meta"} -> {{430448, 272218, 1}, {"", ""}}, 
   {1347.9061, 13.640295, "Meta"} -> {{58122, 234556, 321244}, {"", ""}}, 
   {1364.9329, 13.639176, "Meta"} -> {{106897, 146732, 154189}, {"", ""}}, 
   {543.3015, 13.631483, "Meta"} -> {{56078, 30808, 1}, {"", ""}}, 
   {268.2188, 13.641944, "Meta"} -> {{970690, 950976, 336277}, {"", ""}}, 
   {505.3532, 13.638071, "Meta"} -> {{2509724, 1313306, 1}, {"", ""}}, 
   {1408.9576, 13.652612, "Meta"} -> {{98260, 108851, 1}, {"", ""}}, 
   {1418.8726, 13.652807, "Meta"} -> {{80789, 53639, 1}, {"", ""}}, 
   {380.2538, 13.661728, "Meta"} -> {{30764, 31049, 38282}, 
     {"16,16-dimethyl-PGE2 [ C22 H36 O5, db=43.84, overall=21.92, Lipid \
ID=LMFA03010065, KEGG ID= ]", ""}}, {277.2381, 13.661151, "Meta"} -> 
    {{1, 315287, 673949}, {"", ""}}, {456.3809, 13.659138, "Meta"} -> 
    {{91669, 43030, 200134}, {"", ""}}, {1452.9851, 13.655355, "Meta"} -> 
    {{89416, 87495, 129565}, {"", ""}}, {1462.9037, 13.658624, "Meta"} -> 
    {{1, 54216, 71825}, {"", ""}}, {1457.9413, 13.6546545, "Meta"} -> 
    {{143693, 113510, 162422}, {"", ""}}, {535.364, 13.656915, "Meta"} -> 
    {{1901919, 1252951, 199829}, {"", ""}}, {315.2885, 13.664111, "Meta"} -> 
    {{410788, 547336, 883142}, {"", ""}}, {255.2563, 13.666528, "Meta"} -> 
    {{1450724, 1657849, 1974447}, {"", ""}}, {1497.008, 13.670268, "Meta"} -> 
    {{1, 61513, 87746}, {"", ""}}, {300.3139, 13.665778, "Meta"} -> 
    {{21750, 36805, 48676}, {"", ""}}, {750.9837, 13.667515, "Meta"} -> 
    {{52971, 47090, 79410}, {"", ""}}, {1541.0359, 13.675578, "Meta"} -> 
    {{1, 36285, 69528}, {"", ""}}, {561.3118, 13.6438, "Meta"} -> 
    {{55334, 1, 83010}, {"", ""}}, {419.3251, 13.692777, "Meta"} -> 
    {{373996, 407382, 460103}, {"", ""}}, {585.5332, 13.689299, "Meta"} -> 
    {{308071, 128158, 1}, {"", ""}}, {728.5284, 13.694607, "Meta"} -> 
    {{330898, 263010, 198498}, {" 1-heptadecanoyl, \
2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate [ C40 H75 N O8 P, \
db=67.05, overall=33.53, KEGG ID=, CAS ID= ]", ""}}, 
   {657.5026, 13.693542, "Meta"} -> {{43900, 46354, 59346}, {"", ""}}, 
   {745.5551, 13.695362, "Meta"} -> {{233563, 219318, 290114}, 
     {"GPEtn(18:0/18:1(9Z))[U] [ C41 H80 N O8 P, db=60.81, overall=30.41, \
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    {{378249, 357732, 480787}, {"", ""}}, {988.6896, 13.703807, "Meta"} -> 
    {{84159, 56766, 19798}, {"", ""}}, {481.3164, 13.701916, "Meta"} -> 
    {{5524599, 4401188, 929012}, {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, \
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   {833.6076, 13.703074, "Meta"} -> {{488609, 456168, 626878}, {"", ""}}, 
   {742.5407, 13.7042, "Meta"} -> {{53517, 76293, 26949}, {"", ""}}, 
   {312.2665, 13.707916, "Meta"} -> {{943057, 1553816, 243635}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=99.80, overall=49.90, Lipid \
ID=, KEGG ID= ]", ""}}, {493.3533, 13.702571, "Meta"} -> 
    {{605854, 395431, 155896}, {"", ""}}, {758.5224, 13.708063, "Meta"} -> 
    {{204252, 350369, 63645}, {"", ""}}, {690.5228, 13.667901, "Meta"} -> 
    {{1, 54237, 72358}, {"1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(7Z,10Z,13\
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KEGG ID=, CAS ID= ]", ""}}, {722.5491, 13.705866, "Meta"} -> 
    {{27258, 37622, 9010}, {"", ""}}, {330.2764, 13.70722, "Meta"} -> 
    {{3.03*^7, 4.92*^7, 8957528}, {"1-hexadecanoyl-sn-glycerol [ C19 H38 O4, \
db=96.78, overall=48.39, KEGG ID=, CAS ID= ]", ""}}, 
   {1359.0566, 13.708065, "Meta"} -> {{330905, 749727, 21563}, {"", ""}}, 
   {698.5018, 13.707211, "Meta"} -> {{99223, 143879, 61264}, {"", ""}}, 
   {347.3029, 13.707416, "Meta"} -> {{3170499, 5349570, 1166823}, {"", ""}}, 
   {1179.8202, 13.7051325, "Meta"} -> {{252097, 347563, 27685}, {"", ""}}, 
   {708.5384, 13.711206, "Meta"} -> {{72805, 74247, 45421}, {"", ""}}, 
   {446.2179, 13.704512, "Meta"} -> {{161458, 173228, 74764}, 
     {"Trp Glu Leu [ C22 H30 N4 O6, db=57.78, overall=28.89 ]", ""}}, 
   {428.2451, 13.707165, "Meta"} -> {{562443, 746994, 312752}, {"", ""}}, 
   {238.2293, 13.707944, "Meta"} -> {{278783, 430455, 85725}, 
     {"cis-11-Hexadecenal [ C16 H30 O, db=98.92, overall=49.46, KEGG ID=, CAS \
ID=53939-28-9 ]", "53939-28-9"}}, {443.2139, 13.701389, "Meta"} -> 
    {{203034, 265081, 72628}, {"", ""}}, {877.6339, 13.707833, "Meta"} -> 
    {{670531, 629093, 845933}, {"", ""}}, {390.3095, 13.707778, "Meta"} -> 
    {{1021881, 1680083, 418508}, {"", ""}}, {361.3191, 13.7076845, "Meta"} -> 
    {{75271, 137375, 32453}, {"", ""}}, {488.2747, 13.70686, "Meta"} -> 
    {{109157, 198116, 140569}, {"Hydrocortisone butyrate propionate [ C28 H40 \
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   {636.4941, 13.70936, "Meta"} -> {{228778, 152808, 54132}, {"", ""}}, 
   {1205.8732, 13.708405, "Meta"} -> {{148029, 178697, 1}, {"", ""}}, 
   {327.2883, 13.575701, "Meta"} -> {{60462, 185690, 53037}, {"", ""}}, 
   {875.5992, 13.708193, "Meta"} -> {{1, 130491, 1}, {"", ""}}, 
   {920.6385, 13.710331, "Meta"} -> {{88489, 76525, 103188}, {"", ""}}, 
   {499.2362, 13.707289, "Meta"} -> {{66073, 111816, 20573}, {"", ""}}, 
   {660.4944, 13.711299, "Meta"} -> {{107911, 83176, 1}, {"", ""}}, 
   {899.616, 13.707419, "Meta"} -> {{48668, 32034, 140482}, {"", ""}}, 
   {904.6328, 13.710101, "Meta"} -> {{1045294, 996145, 969863}, {"", ""}}, 
   {860.6077, 13.708208, "Meta"} -> {{108891, 100081, 782403}, {"", ""}}, 
   {497.3691, 13.71389, "Meta"} -> {{29627, 1, 66944}, {"", ""}}, 
   {921.6601, 13.713472, "Meta"} -> {{757481, 712030, 943405}, {"", ""}}, 
   {507.3686, 13.708972, "Meta"} -> {{5999240, 4181773, 2217813}, {"", ""}}, 
   {938.6867, 13.711778, "Meta"} -> {{41157, 37364, 116901}, {"", ""}}, 
   {284.2349, 13.715, "Meta"} -> {{325962, 260261, 316765}, 
     {"2-oxo-heptadecanoic acid [ C17 H32 O3, db=75.45, overall=37.73, Lipid \
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    {{72580, 68649, 228536}, {"", ""}}, {335.3185, 13.717598, "Meta"} -> 
    {{78790, 88173, 88077}, {"", ""}}, {965.6862, 13.719054, "Meta"} -> 
    {{852991, 748595, 1001352}, {"", ""}}, {982.7166, 13.718828, "Meta"} -> 
    {{46532, 46772, 158615}, {"Thermozeaxanthin-17/ Zeaxanthin glucoside \
ester [ C63 H98 O8, db=32.76, overall=16.38, Lipid ID=LMPR01070109, KEGG ID= \
]", ""}}, {482.8427, 13.7168665, "Meta"} -> {{32852, 28067, 64229}, 
     {"", ""}}, {992.6864, 13.722834, "Meta"} -> {{757412, 656030, 739842}, 
     {"", ""}}, {504.8561, 13.722639, "Meta"} -> {{43833, 40154, 88949}, 
     {"", ""}}, {1031.695, 13.723343, "Meta"} -> {{172983, 134804, 400471}, 
     {"", ""}}, {1009.7122, 13.727061, "Meta"} -> {{994294, 900264, 1176099}, 
     {"", ""}}, {1058.6993, 13.73592, "Meta"} -> {{859830, 211335, 1071732}, 
     {"", ""}}, {1053.7383, 13.736089, "Meta"} -> {{810567, 879717, 1623113}, 
     {"", ""}}, {338.2818, 13.758765, "Meta"} -> {{287783, 263093, 1}, 
     {"", ""}}, {1119.7476, 13.730624, "Meta"} -> 
    {{172557, 191033, 1}, {"", ""}}, {1114.7919, 13.734138, "Meta"} -> 
    {{86388, 105876, 457910}, {"", ""}}, {1102.7205, 13.739172, "Meta"} -> 
    {{762809, 657447, 828360}, {"", ""}}, {1141.7909, 13.747208, "Meta"} -> 
    {{758566, 720285, 1263120}, {"", ""}}, {1158.8184, 13.738751, "Meta"} -> 
    {{124233, 119965, 455803}, {"", ""}}, {1146.747, 13.749473, "Meta"} -> 
    {{515606, 496609, 483096}, {"", ""}}, {1202.8444, 13.744382, "Meta"} -> 
    {{103216, 140397, 465617}, {"Ganglioside GA2 (d18:1/26:1(17Z)) [ C64 H118 \
N2 O18, db=68.60, overall=34.30, HMP ID=HMDB04895, KEGG ID= ]", ""}}, 
   {1185.8173, 13.754801, "Meta"} -> {{618156, 644932, 1140662}, {"", ""}}, 
   {1190.7725, 13.755764, "Meta"} -> {{553609, 481264, 290701}, {"", ""}}, 
   {1011.7083, 13.866961, "Meta"} -> {{101805, 80050, 1}, {"", ""}}, 
   {1234.7983, 13.766872, "Meta"} -> {{412095, 382595, 217932}, {"", ""}}, 
   {639.3065, 13.762452, "Meta"} -> {{130639, 37181, 44666}, 
     {"Protorifamycin I [ C35 H45 N O10, db=55.35, overall=27.68, Lipid \
ID=LMPK01000050, KEGG ID=C12246 ]", ""}}, {1229.8431, 13.765171, "Meta"} -> 
    {{551216, 378127, 999830}, {"", ""}}, {636.3007, 13.76603, "Meta"} -> 
    {{218555, 1, 94728}, {"", ""}}, {1246.8712, 13.768721, "Meta"} -> 
    {{35482, 107217, 511722}, {"", ""}}, {692.323, 13.76518, "Meta"} -> 
    {{116081, 89060, 19317}, {"", ""}}, {579.284, 13.767687, "Meta"} -> 
    {{176889, 119107, 35203}, 
     {" [ C33 H41 N O8, db=0.00, overall=31.75, mfg=63.50 ]", ""}}, 
   {621.3346, 13.749526, "Meta"} -> {{575863, 486884, 327744}, {"", ""}}, 
   {1273.8698, 13.773914, "Meta"} -> {{223261, 253169, 815771}, {"", ""}}, 
   {1030.7332, 13.746588, "Meta"} -> {{1887159, 903848, 19126}, {"", ""}}, 
   {576.2868, 13.770852, "Meta"} -> {{105429, 63251, 23150}, {"", ""}}, 
   {1068.696, 13.763723, "Meta"} -> {{83489, 212556, 15048}, {"", ""}}, 
   {1278.8254, 13.776278, "Meta"} -> {{334781, 327962, 216875}, {"", ""}}, 
   {561.3117, 13.775912, "Meta"} -> {{2033886, 1800787, 617624}, {"", ""}}, 
   {1339.8785, 13.780607, "Meta"} -> {{147379, 153964, 455826}, {"", ""}}, 
   {567.3707, 13.7708, "Meta"} -> {{40149, 34663, 1}, {"", ""}}, 
   {1322.8525, 13.784331, "Meta"} -> {{69019, 139128, 165656}, {"", ""}}, 
   {1334.9222, 13.792586, "Meta"} -> {{111833, 116960, 412313}, {"", ""}}, 
   {889.551, 13.800771, "Meta"} -> {{82660, 85479, 155993}, {"", ""}}, 
   {1099.6451, 13.763071, "Meta"} -> {{641142, 1, 142619}, {"", ""}}, 
   {523.3653, 13.780612, "Meta"} -> {{1.2*^8, 1.06*^8, 3.06*^7}, 
     {"1-hexadecyl-2-acetyl-glycero-3-phosphocholine [ C26 H54 N O7 P, \
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   {865.5515, 13.794698, "Meta"} -> {{198664, 114271, 205778}, {"", ""}}, 
   {1058.2133, 13.77028, "Meta"} -> {{264993, 196969, 56325}, {"", ""}}, 
   {1608.04, 13.77903, "Meta"} -> {{1522328, 1481856, 364241}, {"", ""}}, 
   {2637.7942, 13.772834, "Meta"} -> {{424069, 1, 113452}, {"", ""}}, 
   {1046.7288, 13.771727, "Meta"} -> {{5.27*^7, 4.36*^7, 1}, {"", ""}}, 
   {171.108, 13.797971, "Meta"} -> {{101749, 166100, 916872}, {"", ""}}, 
   {1366.8785, 13.790698, "Meta"} -> {{1, 137492, 86041}, {"", ""}}, 
   {398.1857, 13.79976, "Meta"} -> {{53396, 1, 533434}, {"", ""}}, 
   {2131.4026, 13.776884, "Meta"} -> {{1729560, 1683432, 250806}, {"", ""}}, 
   {321.2667, 13.802221, "Meta"} -> {{76433, 83851, 317030}, 
     {"Anandamide (18:3, n-6) [ C20 H35 N O2, db=98.53, overall=49.26, Lipid \
ID=LMFA08040003, KEGG ID= ]", ""}}, {1378.9491, 13.801964, "Meta"} -> 
    {{98883, 1, 424744}, {"", ""}}, {1410.9069, 13.799668, "Meta"} -> 
    {{1, 1, 83346}, {"", ""}}, {326.2219, 13.802333, "Meta"} -> 
    {{102662, 101745, 314494}, {"3a-OH Desogestrel [ C22 H30 O2, db=65.76, \
overall=32.88, KEGG ID=, CAS ID=70805-84-4 ]", "70805-84-4"}}, 
   {495.3673, 13.825147, "Meta"} -> {{502774, 283528, 132298}, {"", ""}}, 
   {1405.9486, 13.799881, "Meta"} -> {{1, 248386, 499849}, {"", ""}}, 
   {345.2666, 13.810092, "Meta"} -> {{146454, 172796, 548955}, 
     {"Anandamide (20:5, n-3) [ C22 H35 N O2, db=85.48, overall=42.74, Lipid \
ID=LMFA08040008, KEGG ID= ]", ""}}, {328.2401, 13.805646, "Meta"} -> 
    {{293377, 300231, 754472}, {"3,9,15-Docosatriynoic acid [ C22 H32 O2, \
db=84.46, overall=42.23, Lipid ID=, KEGG ID= ]", ""}}, 
   {1422.9753, 13.803818, "Meta"} -> {{102482, 99644, 318560}, {"", ""}}, 
   {1330.8604, 13.71827, "Meta"} -> {{1, 63215, 1}, {"", ""}}, 
   {1454.929, 13.805271, "Meta"} -> {{155053, 75343, 59795}, {"", ""}}, 
   {536.5281, 13.803085, "Meta"} -> {{1, 1, 43508}, {"", ""}}, 
   {587.4892, 13.8079605, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1449.9736, 13.80397, "Meta"} -> {{208064, 87343, 90184}, {"", ""}}, 
   {341.3044, 13.817472, "Meta"} -> {{791799, 1431581, 2334791}, {"", ""}}, 
   {354.3241, 13.811501, "Meta"} -> {{1, 1, 28285}, {"", ""}}, 
   {281.2712, 13.812444, "Meta"} -> {{8588293, 1.01*^7, 1.82*^7}, 
     {"Oleamide [ C18 H35 N O, db=95.12, overall=47.56, KEGG ID=, CAS \
ID=301-02-0 ]", "301-02-0"}}, {1467.0009, 13.8062, "Meta"} -> 
    {{1, 111674, 285134}, {"", ""}}, {312.3138, 13.81286, "Meta"} -> 
    {{15102, 25254, 55572}, {"", ""}}, {841.5513, 13.813585, "Meta"} -> 
    {{691076, 636781, 645416}, {"", ""}}, {401.3155, 13.8185835, "Meta"} -> 
    {{1, 62061, 1}, {"", ""}}, {326.3296, 13.8149185, "Meta"} -> 
    {{74463, 187832, 303298}, {"", ""}}, {856.5198, 13.818584, "Meta"} -> 
    {{149749, 138046, 58011}, {"", ""}}, {1511.0262, 13.81507, "Meta"} -> 
    {{82660, 91749, 1}, {"", ""}}, {376.2038, 13.804546, "Meta"} -> 
    {{1, 116182, 514617}, {"fluorometholone [ C22 H29 F O4, db=59.20, \
overall=29.60, KEGG ID=, CAS ID=426-13-1 ]", "426-13-1"}}, 
   {887.643, 13.824824, "Meta"} -> {{350854, 333486, 109679}, {"", ""}}, 
   {262.2296, 13.822443, "Meta"} -> {{139544, 141099, 163479}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=86.48, overall=43.24, Lipid \
ID=, KEGG ID= ]", ""}}, {1555.054, 13.823677, "Meta"} -> 
    {{70709, 68933, 189927}, {"", ""}}, {1599.0771, 13.82784, "Meta"} -> 
    {{63058, 1, 141233}, {"", ""}}, {393.1754, 13.824646, "Meta"} -> 
    {{101418, 92589, 95998}, 
     {"Thr His His [ C16 H23 N7 O5, db=62.69, overall=31.35 ]", ""}}, 
   {280.2402, 13.821678, "Meta"} -> {{1828177, 1750634, 1498629}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.73, overall=42.36, \
Lipid ID=, KEGG ID= ]", ""}}, {404.272, 13.831084, "Meta"} -> 
    {{20880, 27529, 39741}, {"", ""}}, {318.1871, 13.828527, "Meta"} -> 
    {{75004, 75663, 125510}, {"", ""}}, {336.1598, 13.82475, "Meta"} -> 
    {{214135, 178237, 275023}, {"", ""}}, {742.5544, 13.829965, "Meta"} -> 
    {{53477, 56403, 23834}, {"", ""}}, {264.2449, 13.830167, "Meta"} -> 
    {{113502, 127753, 81603}, {"9,12-octadecadienal [ C18 H32 O, db=93.91, \
overall=46.95, Lipid ID=, KEGG ID= ]", ""}}, {362.2315, 13.826858, "Meta"} -> 
    {{44039, 42995, 62258}, {"", ""}}, {637.5649, 13.826834, "Meta"} -> 
    {{117474, 131966, 48313}, {"", ""}}, {1604.0345, 13.831274, "Meta"} -> 
    {{83738, 1, 136760}, {"", ""}}, {917.6042, 13.830849, "Meta"} -> 
    {{195697, 174257, 38381}, {"", ""}}, {454.2603, 13.837749, "Meta"} -> 
    {{102930, 86687, 21154}, {"18-acetoxy-PGF2alpha-11-acetate [ C24 H38 O8, \
db=67.62, overall=33.81, Lipid ID=LMFA03010098, KEGG ID= ]", ""}}, 
   {1643.1019, 13.833906, "Meta"} -> {{42996, 49133, 93589}, {"", ""}}, 
   {356.2921, 13.832834, "Meta"} -> {{3587859, 3258042, 903011}, 
     {"1-(11E-octadecenoyl)-rac-glycerol [ C21 H40 O4, db=98.15, \
overall=49.07, KEGG ID=, CAS ID= ]", ""}}, {416.3249, 13.833222, "Meta"} -> 
    {{256682, 254932, 57931}, {"", ""}}, {296.2716, 13.837235, "Meta"} -> 
    {{1556260, 2027657, 2202809}, {"10-methylene-octadecanoic acid [ C19 H36 \
O2, db=78.33, overall=39.16, Lipid ID=, KEGG ID= ]", ""}}, 
   {595.554, 13.834362, "Meta"} -> {{126320, 182965, 218431}, {"", ""}}, 
   {331.3083, 13.839138, "Meta"} -> {{25965, 44507, 34764}, {"", ""}}, 
   {1648.0614, 13.838582, "Meta"} -> {{67716, 61209, 81374}, {"", ""}}, 
   {314.2819, 13.838939, "Meta"} -> {{668596, 152521, 130776}, 
     {"2-hydroxy-nonadecanoic acid [ C19 H38 O3, db=79.99, overall=40.00, \
Lipid ID=, KEGG ID= ]", ""}}, {359.3394, 13.840835, "Meta"} -> 
    {{42182, 64227, 80623}, {"", ""}}, {550.5438, 13.840639, "Meta"} -> 
    {{20216, 41542, 46480}, {"", ""}}, {345.3232, 13.839605, "Meta"} -> 
    {{1, 15142, 19904}, {"", ""}}, {351.3135, 13.836865, "Meta"} -> 
    {{47667, 41464, 1}, {"Anandamide (20:2, n-6) [ C22 H41 N O2, db=87.77, \
overall=43.88, Lipid ID=LMFA08040002, KEGG ID= ]", ""}}, 
   {589.5048, 13.843435, "Meta"} -> {{61835, 66318, 23995}, {"", ""}}, 
   {593.5384, 13.859751, "Meta"} -> {{32809, 38336, 22653}, {"", ""}}, 
   {486.3916, 13.846743, "Meta"} -> {{39025, 44793, 134316}, {"", ""}}, 
   {269.2717, 13.850058, "Meta"} -> {{150712, 277077, 240981}, {"", ""}}, 
   {958.5066, 13.858265, "Meta"} -> {{96380, 82818, 18945}, {"", ""}}, 
   {312.2662, 13.867914, "Meta"} -> {{675993, 1897641, 401288}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=84.87, overall=42.44, Lipid \
ID=, KEGG ID= ]", ""}}, {376.1632, 13.867001, "Meta"} -> 
    {{84147, 152964, 203387}, {"", ""}}, {875.5037, 13.871608, "Meta"} -> 
    {{173367, 1, 41490}, {"", ""}}, {807.4806, 13.867861, "Meta"} -> 
    {{1623533, 1221250, 473039}, {"", ""}}, {268.2402, 13.870259, "Meta"} -> 
    {{49440, 56751, 32332}, {"9-heptadecylenic acid [ C17 H32 O2, db=81.99, \
overall=40.99, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {360.1681, 13.864379, "Meta"} -> {{75717, 64463, 80710}, 
     {"Leu Asn Asp [ C14 H24 N4 O7, db=34.15, overall=17.08 ]", ""}}, 
   {914.4793, 13.871298, "Meta"} -> {{40518, 59534, 27112}, {"", ""}}, 
   {418.1739, 13.870945, "Meta"} -> {{101502, 99701, 82766}, 
     {"Nimodipine [ C21 H26 N2 O7, db=61.54, overall=30.77, KEGG ID=C07267, \
CAS ID=66085-59-4 ]", "66085-59-4"}}, {662.2484, 13.876678, "Meta"} -> 
    {{67953, 60758, 101368}, {"", ""}}, {1103.5966, 13.872333, "Meta"} -> 
    {{2308704, 1744764, 348979}, {"", ""}}, {346.1531, 13.871804, "Meta"} -> 
    {{638062, 413236, 586267}, {"", ""}}, {390.1788, 13.869486, "Meta"} -> 
    {{217168, 415793, 489594}, 
     {"Asp Lys Glu [ C15 H26 N4 O8, db=62.57, overall=31.29 ]", ""}}, 
   {1153.6309, 13.874, "Meta"} -> {{431490, 1, 63705}, {"", ""}}, 
   {328.1421, 13.873054, "Meta"} -> {{293493, 280965, 317840}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=67.54, overall=33.77 ]", ""}}, 
   {357.3227, 13.877501, "Meta"} -> {{58234, 87506, 60263}, {"", ""}}, 
   {294.0996, 13.875195, "Meta"} -> {{143117, 130456, 164574}, {"", ""}}, 
   {1135.623, 13.873161, "Meta"} -> {{217420, 199301, 54074}, {"", ""}}, 
   {239.1157, 13.8723, "Meta"} -> {{27453, 28007, 34423}, {"", ""}}, 
   {1189.6305, 13.875001, "Meta"} -> {{35155, 1, 1}, {"", ""}}, 
   {420.1898, 13.874806, "Meta"} -> {{20384, 17929, 29281}, 
     {"Gln His His [ C17 H24 N8 O5, db=42.13, overall=21.06 ]", ""}}, 
   {670.265, 13.873167, "Meta"} -> {{48739, 46487, 1247471}, {"", ""}}, 
   {580.2324, 13.874638, "Meta"} -> {{5887199, 5091070, 5835287}, {"", ""}}, 
   {640.2526, 13.874076, "Meta"} -> {{157250, 137373, 151504}, {"", ""}}, 
   {612.2593, 13.875, "Meta"} -> {{4293602, 3726676, 3988767}, {"", ""}}, 
   {644.284, 13.875222, "Meta"} -> {{1.03*^7, 8755026, 9247969}, {"", ""}}, 
   {1180.491, 13.877401, "Meta"} -> {{1, 40927, 59749}, {"", ""}}, 
   {1254.532, 13.877502, "Meta"} -> {{121518, 1, 1}, {"", ""}}, 
   {864.3481, 13.876028, "Meta"} -> {{160728, 134587, 192852}, {"", ""}}, 
   {282.1003, 13.8762245, "Meta"} -> {{660138, 589011, 703916}, {"", ""}}, 
   {706.3213, 13.875223, "Meta"} -> {{616610, 501701, 515781}, {"", ""}}, 
   {1242.5096, 13.876581, "Meta"} -> {{43820, 37778, 32758}, {"", ""}}, 
   {582.2468, 13.8751, "Meta"} -> {{7070157, 5769179, 5609618}, 
     {"Biliverdin IX [ C33 H34 N4 O6, db=45.81, overall=22.91, HMP \
ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", " 114-25-0"}}, 
   {896.3746, 13.876728, "Meta"} -> {{36781, 173823, 174273}, {"", ""}}, 
   {720.3007, 13.875195, "Meta"} -> {{385037, 319540, 316948}, {"", ""}}, 
   {908.3734, 13.876348, "Meta"} -> {{107111, 1, 94805}, {"", ""}}, 
   {636.1519, 13.87985, "Meta"} -> {{1, 52934, 64371}, {"", ""}}, 
   {943.4197, 13.876037, "Meta"} -> {{134883, 101536, 100361}, {"", ""}}, 
   {1192.4886, 13.875974, "Meta"} -> {{215887, 747796, 807732}, {"", ""}}, 
   {1226.5306, 13.877594, "Meta"} -> {{306429, 202686, 222426}, {"", ""}}, 
   {314.1267, 13.875557, "Meta"} -> {{837322, 746504, 810645}, {"", ""}}, 
   {748.2959, 13.87564, "Meta"} -> {{152966, 116002, 112772}, {"", ""}}, 
   {734.3167, 13.875916, "Meta"} -> {{1146248, 899539, 868552}, {"", ""}}, 
   {970.4116, 13.876899, "Meta"} -> {{126453, 1, 109378}, {"", ""}}, 
   {867.3674, 13.8762865, "Meta"} -> {{346636, 249767, 295550}, {"", ""}}, 
   {926.3857, 13.876266, "Meta"} -> {{209789, 164390, 182138}, {"", ""}}, 
   {583.2517, 13.87564, "Meta"} -> {{4562877, 3366802, 3207912}, {"", ""}}, 
   {956.396, 13.876835, "Meta"} -> {{116906, 86232, 69344}, {"", ""}}, 
   {676.308, 13.876473, "Meta"} -> {{140324, 139865, 125140}, {"", ""}}, 
   {929.4038, 13.876501, "Meta"} -> {{133280, 106035, 144820}, {"", ""}}, 
   {672.2801, 13.875572, "Meta"} -> {{2513867, 2179215, 1}, {"", ""}}, 
   {493.2209, 13.875945, "Meta"} -> {{322612, 287676, 302130}, {"", ""}}, 
   {658.2643, 13.874903, "Meta"} -> {{465360, 401423, 490205}, {"", ""}}, 
   {1151.4832, 13.877482, "Meta"} -> {{61779, 45637, 82188}, {"", ""}}, 
   {961.4299, 13.877784, "Meta"} -> {{35043, 25983, 1}, {"", ""}}, 
   {912.4054, 13.877669, "Meta"} -> {{509954, 1, 346683}, {"", ""}}, 
   {762.3116, 13.876194, "Meta"} -> {{508277, 389752, 367636}, {"", ""}}, 
   {975.4451, 13.8780365, "Meta"} -> {{74799, 56175, 60248}, {"", ""}}, 
   {509.216, 13.87594, "Meta"} -> {{1, 58838, 66940}, {"", ""}}, 
   {491.2056, 13.876723, "Meta"} -> {{343518, 316351, 394823}, 
     {"Tyr Phe Tyr [ C27 H29 N3 O6, db=65.06, overall=32.53 ]", ""}}, 
   {881.3826, 13.877259, "Meta"} -> {{55542, 40978, 1}, {"", ""}}, 
   {1193.664, 13.879387, "Meta"} -> {{255578, 237648, 43589}, {"", ""}}, 
   {582.7497, 13.876502, "Meta"} -> {{684327, 420700, 409417}, {"", ""}}, 
   {495.208, 13.876967, "Meta"} -> {{53339, 37191, 55632}, 
     {"Trp Tyr Gln [ C25 H29 N5 O6, db=56.92, overall=28.46 ]", ""}}, 
   {616.2538, 13.877678, "Meta"} -> {{131123, 113066, 136112}, {"", ""}}, 
   {479.205, 13.876445, "Meta"} -> {{81684, 60232, 75307}, 
     {"Nicardipine [ C26 H29 N3 O6, db=70.81, overall=35.41, KEGG ID=C07264, \
CAS ID=55985-32-5 ]", "55985-32-5"}}, {878.365, 13.876516, "Meta"} -> 
    {{21901, 17280, 22561}, {"", ""}}, {567.2211, 13.876649, "Meta"} -> 
    {{174181, 176112, 185849}, {"", ""}}, {644.7861, 13.877095, "Meta"} -> 
    {{30189, 23947, 21913}, {"", ""}}, {461.195, 13.876152, "Meta"} -> 
    {{38318, 34369, 34532}, 
     {"Gln Trp Glu [ C21 H27 N5 O7, db=34.78, overall=17.39 ]", ""}}, 
   {298.1317, 13.878472, "Meta"} -> {{750447, 660268, 783960}, {"", ""}}, 
   {352.1394, 13.880392, "Meta"} -> {{38571, 32422, 47302}, 
     {"Asn Tyr Gly [ C15 H20 N4 O6, db=68.82, overall=34.41 ]", ""}}, 
   {284.1158, 13.879252, "Meta"} -> {{367229, 336065, 438965}, {"", ""}}, 
   {477.1898, 13.879307, "Meta"} -> {{198560, 241361, 314298}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=74.18, overall=37.09, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {833.4963, 13.885234, "Meta"} -> 
    {{263226, 183449, 42307}, {"", ""}}, {1045.5562, 13.8920965, "Meta"} -> 
    {{110452, 72761, 1}, {"", ""}}, {1095.5912, 13.892453, "Meta"} -> 
    {{68889, 41299, 26662}, {"", ""}}, {1048.5735, 13.892926, "Meta"} -> 
    {{83290, 45447, 20033}, {"", ""}}, {779.4516, 13.885543, "Meta"} -> 
    {{150060, 105608, 1}, {"", ""}}, {918.6492, 13.8966, "Meta"} -> 
    {{65304, 530533, 509518}, {"", ""}}, {935.6756, 13.895752, "Meta"} -> 
    {{521623, 462251, 624426}, {"", ""}}, {891.6496, 13.895306, "Meta"} -> 
    {{388731, 371368, 487200}, {"C24 Sulfatide [ C48 H93 N O11 S, db=88.42, \
overall=44.21, Lipid ID=LMSP06020013, KEGG ID= ]", ""}}, 
   {749.4387, 13.89454, "Meta"} -> {{1, 43037, 21706}, {"", ""}}, 
   {830.5967, 13.895909, "Meta"} -> {{264372, 233683, 253320}, {"", ""}}, 
   {847.6232, 13.896607, "Meta"} -> {{235278, 235622, 278972}, {"", ""}}, 
   {979.702, 13.896585, "Meta"} -> {{642419, 585845, 751631}, {"", ""}}, 
   {1050.7274, 13.9000435, "Meta"} -> {{1, 70037, 32648}, {"", ""}}, 
   {1028.6847, 13.898851, "Meta"} -> {{809507, 584899, 1}, {"", ""}}, 
   {984.6579, 13.897518, "Meta"} -> {{703197, 590013, 598109}, {"", ""}}, 
   {1023.7278, 13.898656, "Meta"} -> {{684825, 603424, 783739}, {"", ""}}, 
   {962.6753, 13.896331, "Meta"} -> {{95347, 78478, 44188}, {"", ""}}, 
   {803.597, 13.898972, "Meta"} -> {{135781, 115159, 179335}, {"", ""}}, 
   {1006.7014, 13.900152, "Meta"} -> {{75050, 48935, 529179}, {"", ""}}, 
   {1067.7542, 13.901264, "Meta"} -> {{659853, 643108, 775696}, {"", ""}}, 
   {1094.7538, 13.901059, "Meta"} -> {{88169, 615081, 37897}, {"", ""}}, 
   {465.3222, 13.902696, "Meta"} -> {{3278855, 2271106, 759346}, {"", ""}}, 
   {1138.7803, 13.90453, "Meta"} -> {{652846, 50161, 25939}, {"", ""}}, 
   {478.8288, 13.901231, "Meta"} -> {{39378, 37567, 66537}, {"", ""}}, 
   {996.7292, 13.904589, "Meta"} -> {{75599, 71014, 129520}, 
     {"TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,\
13Z,16Z,19Z))[iso3] [ C67 H96 O6, db=48.00, overall=24.00, Lipid \
ID=LMGL03012576, KEGG ID= ]", ""}}, {1160.7618, 13.905588, "Meta"} -> 
    {{69314, 602240, 468596}, {"", ""}}, {503.2691, 13.903366, "Meta"} -> 
    {{96624, 70712, 1}, {"", ""}}, {522.8552, 13.904035, "Meta"} -> 
    {{145589, 154707, 215897}, {"", ""}}, {1001.6842, 13.904192, "Meta"} -> 
    {{123235, 134608, 204078}, {"", ""}}, {511.8639, 13.905617, "Meta"} -> 
    {{40853, 39034, 56283}, {"", ""}}, {544.8687, 13.907429, "Meta"} -> 
    {{195593, 190973, 303735}, {"", ""}}, {489.8508, 13.903928, "Meta"} -> 
    {{26593, 22940, 32767}, {"", ""}}, {1050.6691, 13.904042, "Meta"} -> 
    {{137166, 186904, 128310}, {"", ""}}, {1040.753, 13.906883, "Meta"} -> 
    {{104852, 130127, 238333}, {"", ""}}, {549.3798, 13.901501, "Meta"} -> 
    {{2557756, 2022948, 207410}, {"", ""}}, {555.8901, 13.907157, "Meta"} -> 
    {{80184, 1267377, 1530339}, {"", ""}}, {1248.8145, 13.916356, "Meta"} -> 
    {{499134, 398334, 1}, {"", ""}}, {591.8776, 13.913758, "Meta"} -> 
    {{88221, 84379, 94940}, {"", ""}}, {591.3753, 13.914109, "Meta"} -> 
    {{158557, 160608, 162043}, {"", ""}}, {1172.8337, 13.914706, "Meta"} -> 
    {{274282, 281613, 623656}, {"", ""}}, {643.9424, 13.918862, "Meta"} -> 
    {{661575, 587952, 614225}, {"", ""}}, {1243.8593, 13.917862, "Meta"} -> 
    {{1098690, 1046155, 1396948}, {"", ""}}, 
   {1216.8606, 13.917243, "Meta"} -> {{346933, 327954, 737475}, {"", ""}}, 
   {1292.8436, 13.918814, "Meta"} -> {{651253, 275286, 217072}, {"", ""}}, 
   {482.3011, 13.906962, "Meta"} -> {{108079, 231369, 1}, {"", ""}}, 
   {1260.8875, 13.921888, "Meta"} -> {{402993, 433304, 800061}, {"", ""}}, 
   {1336.8698, 13.9245, "Meta"} -> {{625106, 498022, 435426}, 
     {"Ganglioside GA1 (d18:1/24:1(15Z)) [ C68 H124 N2 O23, db=60.87, \
overall=30.44, HMP ID=HMDB04906, KEGG ID= ]", ""}}, 
   {1304.9122, 13.925807, "Meta"} -> {{374346, 388066, 804843}, {"", ""}}, 
   {1309.8685, 13.923631, "Meta"} -> {{657804, 618605, 770492}, {"", ""}}, 
   {1331.9117, 13.925688, "Meta"} -> {{964354, 868731, 326542}, {"", ""}}, 
   {1066.7665, 13.906301, "Meta"} -> {{1, 231067, 223289}, {"", ""}}, 
   {1348.9387, 13.928513, "Meta"} -> {{380573, 362008, 820700}, {"", ""}}, 
   {1380.8955, 13.928842, "Meta"} -> {{1, 433165, 79386}, {"", ""}}, 
   {442.2608, 13.933564, "Meta"} -> {{101493, 186424, 14429}, {"", ""}}, 
   {1375.9377, 13.930394, "Meta"} -> {{824794, 745320, 234803}, {"", ""}}, 
   {1392.9644, 13.933, "Meta"} -> {{337877, 332716, 698963}, {"", ""}}, 
   {1424.9208, 13.932688, "Meta"} -> {{124728, 124909, 76596}, {"", ""}}, 
   {1419.9648, 13.935295, "Meta"} -> {{721733, 703933, 806133}, {"", ""}}, 
   {344.2923, 13.939112, "Meta"} -> {{3056550, 5861036, 498984}, 
     {"1-heptadecanoyl-rac-glycerol [ C20 H40 O4, db=98.52, overall=49.26, \
KEGG ID=, CAS ID=68002-72-2 ]", "68002-72-2"}}, 
   {1468.948, 13.937098, "Meta"} -> {{134538, 104635, 242286}, {"", ""}}, 
   {1436.9904, 13.938028, "Meta"} -> {{347991, 318546, 665618}, {"", ""}}, 
   {1463.9899, 13.9394865, "Meta"} -> {{618390, 39852, 130688}, {"", ""}}, 
   {466.3654, 13.941461, "Meta"} -> {{298885, 354078, 1}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=76.50, overall=38.25, \
Lipid ID=LMST01030128, KEGG ID= ]", ""}}, {1481.017, 13.942124, "Meta"} -> 
    {{311438, 312985, 1}, {"", ""}}, {1508.0137, 13.944414, "Meta"} -> 
    {{45162, 500987, 73620}, {"", ""}}, {222.1615, 13.993, "Meta"} -> 
    {{1, 328013, 1}, {"", ""}}, {1529.9991, 13.944249, "Meta"} -> 
    {{422203, 1, 1}, {"", ""}}, {283.2872, 13.950055, "Meta"} -> 
    {{307687, 306793, 328182}, {"Stearamide [ C18 H37 N O, db=99.52, \
overall=49.76, KEGG ID=, CAS ID=124-26-5 ]", "124-26-5"}}, 
   {1525.0424, 13.947517, "Meta"} -> {{269596, 262490, 1}, {"", ""}}, 
   {386.1755, 13.956785, "Meta"} -> {{34695, 1, 34656}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=50.71, overall=25.36 ]", ""}}, 
   {1623.0092, 13.9477415, "Meta"} -> {{1, 124347, 95301}, {"", ""}}, 
   {428.2901, 13.938, "Meta"} -> {{126838, 1, 1}, {"(23S,25R)-25-hydroxyvitam\
in D3 26,23-lactone / (23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 \
H40 O4, db=61.60, overall=30.80, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {1618.051, 13.949916, "Meta"} -> {{302755, 251844, 1}, {"", ""}}, 
   {1569.0697, 13.946124, "Meta"} -> {{236567, 210378, 383669}, {"", ""}}, 
   {467.3376, 13.954553, "Meta"} -> {{451494, 229334, 67941}, {"", ""}}, 
   {347.2825, 13.963371, "Meta"} -> {{538608, 441252, 589106}, 
     {"(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide [ C22 \
H37 N O2, db=98.13, overall=49.07, KEGG ID=, CAS ID= ]", ""}}, 
   {330.2557, 13.959749, "Meta"} -> {{592831, 151980, 457310}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=84.17, \
overall=42.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {1662.0767, 13.946449, "Meta"} -> {{246275, 214692, 1}, {"", ""}}, 
   {510.3319, 13.973654, "Meta"} -> {{78876, 52374, 78381}, 
     {"11-(3-acetoxy-1-propynyl)-1alpha,25-dihydroxy-9,11-didehydrovitamin D3 \
/ 11-(3-acetoxy-1-propynyl)-1 [ C32 H46 O5, db=44.65, overall=22.33, Lipid \
ID=LMST03020511, KEGG ID= ]", ""}}, {452.3502, 13.976595, "Meta"} -> 
    {{1, 124757, 173176}, {"5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pent\
ol [ C27 H48 O5, db=62.10, overall=31.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {1657.1215, 13.958542, "Meta"} -> {{165489, 1, 1}, {"", ""}}, 
   {1750.128, 13.9647875, "Meta"} -> {{143487, 1, 1}, {"", ""}}, 
   {220.146, 13.986333, "Meta"} -> {{1, 70009, 147274}, {"", ""}}, 
   {329.2933, 13.898458, "Meta"} -> {{286154, 355310, 223285}, {"", ""}}, 
   {460.3175, 13.9654, "Meta"} -> {{1, 152314, 111321}, 
     {"(24R)-1alpha,24,25,26-tetrahydroxyvitamin D2 / \
(24R)-1alpha,24,25,26-tetrahydroxyergocalciferol [ C28 H44 O5, db=68.24, \
overall=34.12, Lipid ID=LMST03010054, KEGG ID= ]", ""}}, 
   {1745.1743, 13.967287, "Meta"} -> {{105280, 1, 120037}, {"", ""}}, 
   {1701.1473, 13.966741, "Meta"} -> {{1, 115103, 163517}, {"", ""}}, 
   {402.2765, 13.957289, "Meta"} -> {{39569, 129305, 41020}, 
     {"1alpha-hydroxy-26,27-dinorvitamin D3 25-carboxylic acid / \
1alpha-hydroxy-26,27-dinorcholecalciferol [ C25 H38 O4, db=52.81, \
overall=26.41, Lipid ID=LMST03020025, KEGG ID= ]", ""}}, 
   {440.3505, 13.985816, "Meta"} -> {{448647, 419101, 408512}, {"", ""}}, 
   {484.3164, 13.975783, "Meta"} -> {{240242, 158075, 156661}, {"", ""}}, 
   {653.3246, 13.973182, "Meta"} -> {{42703, 73649, 14176}, {"", ""}}, 
   {334.2482, 13.893001, "Meta"} -> {{1029248, 1, 529885}, 
     {"Tetrahydrodeoxycorticosterone [ C21 H34 O3, db=65.74, overall=32.87, \
HMP ID=HMDB00879, KEGG ID= ]", ""}}, {1319.1475, 13.976606, "Meta"} -> 
    {{27864, 22090, 1}, {"", ""}}, {386.3394, 13.973793, "Meta"} -> 
    {{258342, 240460, 254198}, {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, \
db=89.09, overall=44.55, KEGG ID=, CAS ID= ]", ""}}, 
   {831.6982, 13.975789, "Meta"} -> {{24315, 23643, 21843}, {"", ""}}, 
   {806.668, 13.976223, "Meta"} -> {{388969, 327949, 226815}, {"", ""}}, 
   {866.6982, 13.981547, "Meta"} -> {{14739, 19911, 26708}, {"", ""}}, 
   {354.2087, 13.977749, "Meta"} -> {{449010, 448341, 390289}, {"", ""}}, 
   {224.1773, 13.974033, "Meta"} -> {{1, 14274, 24614}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=68.79, overall=34.39, \
Lipid ID=, KEGG ID= ]", ""}}, {270.2557, 13.976111, "Meta"} -> 
    {{667970, 630944, 457383}, {"10-methyl-hexadecanoic acid [ C17 H34 O2, \
db=99.62, overall=49.81, Lipid ID=, KEGG ID= ]", ""}}, 
   {1062.9073, 13.976445, "Meta"} -> {{62705, 58881, 39763}, {"", ""}}, 
   {597.4186, 13.975773, "Meta"} -> {{64516, 57498, 35945}, {"", ""}}, 
   {238.2292, 13.975834, "Meta"} -> {{388213, 363524, 258942}, 
     {"cis-11-Hexadecenal [ C16 H30 O, db=98.78, overall=49.39, KEGG ID=, CAS \
ID=53939-28-9 ]", "53939-28-9"}}, {256.2401, 13.976223, "Meta"} -> 
    {{2019961, 626615, 1110270}, {"2-propyl-tridecanoic acid [ C16 H32 O2, \
db=86.75, overall=43.37, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2322, 13.97861, "Meta"} -> {{235506, 229558, 208769}, {"", ""}}, 
   {386.2337, 13.980557, "Meta"} -> {{24208, 1, 20901}, 
     {"1-tridecanoyl-sn-glycero-3-phosphate [ C16 H37 N O7 P, db=38.62, \
overall=19.31, KEGG ID=, CAS ID= ]", ""}}, {568.3997, 13.977068, "Meta"} -> 
    {{101692, 1, 38867}, {"1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphate \
(ammonium salt) [ C28 H59 N O8 P, db=52.38, overall=26.19, KEGG ID=, CAS ID= \
]", ""}}, {374.1813, 13.978594, "Meta"} -> {{37966, 35801, 29313}, 
     {"Glu Asn Leu [ C15 H26 N4 O7, db=57.08, overall=28.54 ]", ""}}, 
   {401.2, 13.978515, "Meta"} -> {{152318, 128238, 82906}, {"", ""}}, 
   {429.2065, 13.981425, "Meta"} -> {{59768, 48035, 1}, {"", ""}}, 
   {444.2765, 13.977774, "Meta"} -> {{30264, 52164, 54844}, {"", ""}}, 
   {610.4531, 13.979807, "Meta"} -> {{258740, 292208, 272499}, {"", ""}}, 
   {897.0775, 13.963102, "Meta"} -> {{61422, 1, 18339}, {"", ""}}, 
   {420.3661, 13.976656, "Meta"} -> {{1, 29653, 23391}, {"", ""}}, 
   {294.1873, 13.977543, "Meta"} -> {{78376, 51979, 44701}, 
     {"Sodium tetradecyl sulfate [ C14 H30 O4 S, db=82.16, overall=41.08, \
KEGG ID=, CAS ID=139-88-8 ]", "139-88-8"}}, {556.3739, 13.973735, "Meta"} -> 
    {{236132, 238555, 267867}, {"", ""}}, {540.3787, 13.981038, "Meta"} -> 
    {{110703, 112970, 1}, {"", ""}}, {500.3862, 13.978946, "Meta"} -> 
    {{179569, 161531, 212045}, {"", ""}}, {1838.1816, 13.978887, "Meta"} -> 
    {{58525, 53300, 1}, {"", ""}}, {273.2666, 13.976639, "Meta"} -> 
    {{104932, 103887, 93419}, {"C16 Sphinganine [ C16 H35 N O2, db=89.23, \
overall=44.61, Lipid ID=LMSP01040001, KEGG ID= ]", ""}}, 
   {370.2578, 13.982139, "Meta"} -> {{79655, 72241, 63465}, {"", ""}}, 
   {470.3612, 13.984445, "Meta"} -> {{148980, 294427, 155428}, {"", ""}}, 
   {307.287, 13.978666, "Meta"} -> {{77164, 101688, 51109}, {"", ""}}, 
   {369.1855, 13.979225, "Meta"} -> {{1, 53942, 40019}, {"", ""}}, 
   {520.4126, 13.9819145, "Meta"} -> {{482398, 420825, 577963}, {"", ""}}, 
   {560.4047, 13.986311, "Meta"} -> {{296236, 1, 255836}, {"", ""}}, 
   {685.3513, 13.989969, "Meta"} -> {{29403, 50326, 17020}, {"", ""}}, 
   {600.436, 13.992064, "Meta"} -> {{74939, 112898, 45298}, {"", ""}}, 
   {276.2085, 13.992001, "Meta"} -> {{1, 50802, 54043}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=76.40, overall=38.20, Lipid \
ID=, KEGG ID= ]", ""}}, {294.2182, 13.990687, "Meta"} -> 
    {{56799, 49205, 61677}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, \
db=70.71, overall=35.35, Lipid ID=, KEGG ID= ]", ""}}, 
   {486.3319, 13.971826, "Meta"} -> {{312309, 289655, 1}, {"", ""}}, 
   {1764.1438, 14.027258, "Meta"} -> {{219144, 40726, 24290}, {"", ""}}, 
   {306.2556, 13.999083, "Meta"} -> {{586775, 435348, 458839}, 
     {"ETrE(11Z, 14Z, 17Z) [ C20 H34 O2, db=67.35, overall=33.67, Lipid \
ID=LMFA01030378, KEGG ID= ]", ""}}, {507.3694, 13.993544, "Meta"} -> 
    {{3448091, 2108029, 485168}, {"", ""}}, {323.2821, 13.996278, "Meta"} -> 
    {{214411, 197244, 242896}, {"(9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-die\
namide [ C20 H37 N O2, db=99.15, overall=49.57, KEGG ID=, CAS ID= ]", ""}}, 
   {490.3655, 14.002969, "Meta"} -> {{1341231, 786869, 1577400}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=61.55, \
overall=30.77, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {362.1752, 14.002638, "Meta"} -> {{44440, 35469, 31405}, 
     {"Met Gly Arg [ C13 H26 N6 O4 S, db=56.03, overall=28.02 ]", ""}}, 
   {360.2646, 14.006222, "Meta"} -> {{87507, 49669, 1}, 
     {"1alpha,23-dihydroxy-24,25,26,27-tetranorvitamin D3 / \
1alpha,23-dihydroxy-24,25,26,27-tetranorcholeca [ C23 H36 O3, db=49.92, \
overall=24.96, Lipid ID=LMST03020020, KEGG ID= ]", ""}}, 
   {627.5055, 14.012999, "Meta"} -> {{31250, 23592, 24641}, {"", ""}}, 
   {388.2586, 14.0047655, "Meta"} -> {{30862, 18583, 21077}, 
     {"7,12-Dioxo-5beta-cholan-24-oic Acid [ C24 H36 O4, db=55.81, \
overall=27.91, Lipid ID=, KEGG ID= ]", ""}}, {472.3551, 13.985233, "Meta"} -> 
    {{62902, 146516, 99691}, {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehy\
dro-23-oxavitamin D3 / 26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, \
db=61.77, overall=30.89, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {420.3237, 13.996353, "Meta"} -> {{78531, 1, 91776}, 
     {"1alpha,2alpha,25-trihydroxy-19-norvitamin D3 / \
1alpha,2alpha,25-trihydroxy-19-norcholecalciferolchol [ C26 H44 O4, db=77.07, \
overall=38.53, Lipid ID=LMST03020547, KEGG ID= ]", ""}}, 
   {512.3477, 14.046452, "Meta"} -> {{268761, 169556, 319568}, 
     {"ZK 159222 [ C32 H48 O5, db=50.94, overall=25.47, Lipid \
ID=LMST03020621, KEGG ID= ]", ""}}, {545.3171, 14.010888, "Meta"} -> 
    {{46443, 1, 1}, {"", ""}}, {469.2862, 14.021042, "Meta"} -> 
    {{19357, 16899, 15944}, {"", ""}}, {259.2508, 14.031133, "Meta"} -> 
    {{46068, 36247, 25112}, {"", ""}}, {242.2245, 14.033613, "Meta"} -> 
    {{616362, 662892, 274836}, {"Isopentadecylic acid [ C15 H30 O2, db=99.40, \
overall=49.70, KEGG ID=, CAS ID= ]", ""}}, {295.2873, 14.061223, "Meta"} -> 
    {{74861, 55531, 54601}, {"", ""}}, {408.1761, 14.037353, "Meta"} -> 
    {{445030, 1058987, 956968}, 
     {"Trp Gly Phe [ C22 H24 N4 O4, db=41.37, overall=20.69 ]", ""}}, 
   {298.2508, 14.035623, "Meta"} -> {{93649, 95989, 46457}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=71.18, overall=35.59, \
Lipid ID=, KEGG ID= ]", ""}}, {454.3265, 13.978308, "Meta"} -> 
    {{230857, 403266, 1}, {"GPCho(O-7:0/O-7:0) [ C22 H49 N O6 P, db=80.05, \
overall=40.03, Lipid ID=LMGP01040080, KEGG ID= ]", ""}}, 
   {449.3718, 14.041364, "Meta"} -> {{765916, 1314974, 175831}, {"", ""}}, 
   {171.108, 14.037002, "Meta"} -> {{1, 163627, 1}, {"", ""}}, 
   {353.3292, 14.065957, "Meta"} -> {{51833, 52536, 1}, 
     {"(Z)-N-(2-hydroxyethyl)icos-11-enamide [ C22 H43 N O2, db=53.55, \
overall=26.77, KEGG ID=, CAS ID= ]", ""}}, {358.3083, 14.061032, "Meta"} -> 
    {{3224047, 8346122, 645334}, {"1-octadecanoyl-rac-glycerol [ C21 H42 O4, \
db=91.49, overall=45.75, KEGG ID=, CAS ID= ]", ""}}, 
   {534.3899, 14.062283, "Meta"} -> {{537829, 429291, 1033527}, {"", ""}}, 
   {1218.8057, 14.057057, "Meta"} -> {{789835, 685495, 1}, {"", ""}}, 
   {642.91, 14.060259, "Meta"} -> {{134068, 1, 101536}, {"", ""}}, 
   {1186.8503, 14.059189, "Meta"} -> {{365478, 454788, 798296}, {"", ""}}, 
   {1103.753, 14.057482, "Meta"} -> {{283849, 1, 1}, {"", ""}}, 
   {1169.8226, 14.057669, "Meta"} -> {{1142675, 985738, 1354508}, {"", ""}}, 
   {1262.8317, 14.057412, "Meta"} -> {{417466, 692102, 31693}, 
     {"Ganglioside GM3 (d18:1/24:1(15Z)) [ C65 H118 N2 O21, db=64.86, \
overall=32.43, HMP ID=HMDB04848, KEGG ID= ]", ""}}, 
   {1152.795, 14.05788, "Meta"} -> {{47571, 39264, 1}, {"", ""}}, 
   {1064.743, 14.0559025, "Meta"} -> {{94560, 1, 1}, {"", ""}}, 
   {1213.8492, 14.058307, "Meta"} -> {{579339, 543366, 1342588}, {"", ""}}, 
   {1020.7168, 14.055375, "Meta"} -> {{66323, 43426, 1}, {"", ""}}, 
   {507.8499, 14.0589695, "Meta"} -> {{56850, 43939, 69869}, {"", ""}}, 
   {1125.7968, 14.0580015, "Meta"} -> {{1078207, 992036, 1307509}, {"", ""}}, 
   {1108.7697, 14.056641, "Meta"} -> {{62066, 453114, 305459}, {"", ""}}, 
   {485.8368, 14.06136, "Meta"} -> {{19977, 17055, 31547}, {"", ""}}, 
   {1230.8765, 14.069205, "Meta"} -> {{327419, 317805, 909593}, {"", ""}}, 
   {1306.8593, 14.060386, "Meta"} -> {{255637, 632746, 194698}, {"", ""}}, 
   {1318.9282, 14.062551, "Meta"} -> {{487449, 1, 1144720}, {"", ""}}, 
   {1257.8752, 14.0591755, "Meta"} -> {{551098, 1166215, 1392284}, {"", ""}}, 
   {1037.7437, 14.060363, "Meta"} -> {{443517, 402488, 499754}, {"", ""}}, 
   {1054.7722, 14.059851, "Meta"} -> {{1, 1, 241877}, {"", ""}}, 
   {1350.8864, 14.060532, "Meta"} -> {{324856, 281593, 107254}, {"", ""}}, 
   {1362.9545, 14.064612, "Meta"} -> {{518722, 485578, 1}, {"", ""}}, 
   {1389.9536, 14.06309, "Meta"} -> {{142087, 128324, 257114}, {"", ""}}, 
   {1142.8239, 14.061389, "Meta"} -> {{263948, 258170, 637529}, {"", ""}}, 
   {976.6912, 14.068707, "Meta"} -> {{453774, 334424, 30092}, {"", ""}}, 
   {422.375, 14.068999, "Meta"} -> {{31462, 26309, 27606}, {"", ""}}, 
   {993.7174, 14.063914, "Meta"} -> {{394937, 330338, 463528}, {"", ""}}, 
   {1438.9374, 14.065999, "Meta"} -> {{529004, 476507, 1}, {"", ""}}, 
   {1433.9799, 14.066055, "Meta"} -> {{955590, 823020, 179207}, {"", ""}}, 
   {949.6916, 14.066196, "Meta"} -> {{267387, 217845, 328996}, {"", ""}}, 
   {1451.0062, 14.068264, "Meta"} -> {{485432, 343532, 986361}, {"", ""}}, 
   {932.6646, 14.065879, "Meta"} -> {{84545, 272417, 192742}, {"", ""}}, 
   {470.2924, 14.073814, "Meta"} -> {{75072, 8772, 77714}, {"", ""}}, 
   {905.6649, 14.069608, "Meta"} -> {{171649, 187409, 197198}, {"", ""}}, 
   {1522.0323, 14.071529, "Meta"} -> {{44361, 39880, 91034}, {"", ""}}, 
   {888.6409, 14.076768, "Meta"} -> {{264960, 185701, 1}, {"", ""}}, 
   {1482.9642, 14.067459, "Meta"} -> {{504563, 431375, 34049}, {"", ""}}, 
   {1174.7784, 14.05864, "Meta"} -> {{574794, 486384, 289734}, {"", ""}}, 
   {1526.9904, 14.071257, "Meta"} -> {{110515, 320998, 1}, {"", ""}}, 
   {1495.0323, 14.071646, "Meta"} -> {{426116, 406437, 838962}, {"", ""}}, 
   {861.6387, 14.075389, "Meta"} -> {{76249, 117761, 104951}, {"", ""}}, 
   {405.3454, 14.078472, "Meta"} -> {{186020, 405856, 29063}, {"", ""}}, 
   {316.2402, 14.079582, "Meta"} -> {{1397745, 2001693, 2576092}, 
     {"pregnenolone [ C21 H32 O2, db=98.88, overall=49.44, KEGG ID=, CAS \
ID=1852-38-6 ]", "1852-38-6"}}, {376.2724, 14.080198, "Meta"} -> 
    {{724747, 481842, 430804}, {"", ""}}, {284.2138, 14.07936, "Meta"} -> 
    {{112171, 44607, 55071}, {"11-cis-Retinaldehyde [ C20 H28 O, db=83.12, \
overall=41.56, HMP ID=HMDB02152, KEGG ID= ]", ""}}, 
   {333.2666, 14.079747, "Meta"} -> {{2352928, 1504999, 3300617}, {"", ""}}, 
   {805.0406, 14.07626, "Meta"} -> {{43115, 41397, 27826}, {"", ""}}, 
   {529.4339, 14.081344, "Meta"} -> {{40434, 1, 81157}, {"", ""}}, 
   {1632.0676, 14.078387, "Meta"} -> {{410158, 367108, 1}, {"", ""}}, 
   {1583.085, 14.078301, "Meta"} -> {{378451, 332791, 653540}, {"", ""}}, 
   {1627.1108, 14.078733, "Meta"} -> {{275466, 272289, 512595}, {"", ""}}, 
   {1676.0933, 14.06074, "Meta"} -> {{328768, 31911, 322806}, {"", ""}}, 
   {1715.1598, 14.067248, "Meta"} -> {{186034, 215547, 334017}, {"", ""}}, 
   {948.6653, 14.082221, "Meta"} -> {{84855, 124089, 1}, {"", ""}}, 
   {264.2448, 14.087555, "Meta"} -> {{95678, 88154, 83666}, 
     {"9,12-octadecadienal [ C18 H32 O, db=69.08, overall=34.54, Lipid ID=, \
KEGG ID= ]", ""}}, {1813.1312, 14.077153, "Meta"} -> 
    {{1, 88476, 57720}, {"", ""}}, {546.5012, 14.088577, "Meta"} -> 
    {{25921, 22333, 24021}, {"", ""}}, {367.1936, 14.089778, "Meta"} -> 
    {{46863, 28651, 28463}, {"N-Desethylquinagolide [ C18 H29 N3 O3 S, \
db=63.48, overall=31.74, KEGG ID=, CAS ID= ]", ""}}, 
   {602.4589, 14.089057, "Meta"} -> {{497314, 368898, 541182}, {"", ""}}, 
   {1808.1718, 14.068594, "Meta"} -> {{1, 131780, 126250}, {"", ""}}, 
   {884.7153, 14.088696, "Meta"} -> {{168786, 118500, 175223}, {"", ""}}, 
   {380.2247, 14.088887, "Meta"} -> {{456019, 376843, 580230}, {"", ""}}, 
   {282.2564, 14.088139, "Meta"} -> {{1316193, 2628959, 2680407}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=98.70, overall=49.35, Lipid \
ID=LMFA01030065, KEGG ID= ]", ""}}, {486.3322, 14.0887165, "Meta"} -> 
    {{732932, 583514, 1}, {"", ""}}, {868.7374, 14.088824, "Meta"} -> 
    {{29493, 21220, 31892}, {"", ""}}, {299.2823, 14.088805, "Meta"} -> 
    {{438121, 344949, 537359}, {"3-Dehydrosphinganine [ C18 H37 N O2, \
db=99.55, overall=49.78, KEGG ID=C02934, CAS ID=16105-69-4 ]", 
      "16105-69-4"}}, {338.1754, 14.0895, "Meta"} -> 
    {{87640, 58099, 79923}, {"2,3-Dinor-6,15-diketo-13,14-dihydro-PGF1a [ C18 \
H26 O6, db=42.53, overall=21.26, KEGG ID=, CAS ID= ]", ""}}, 
   {586.4805, 14.089943, "Meta"} -> {{63160, 31424, 55003}, 
     {"3',4'-Dihydrorhodovibrin [ C41 H62 O2, db=20.76, overall=10.38, Lipid \
ID=LMPR01070139, KEGG ID= ]", ""}}, {440.2498, 14.08963, "Meta"} -> 
    {{62240, 54462, 1}, {"", ""}}, {404.1936, 14.090585, "Meta"} -> 
    {{29681, 24112, 1}, 
     {"Lys Glu Glu [ C16 H28 N4 O8, db=45.07, overall=22.53 ]", ""}}, 
   {398.202, 14.090389, "Meta"} -> {{113041, 76907, 125650}, 
     {"His Arg Ser [ C15 H26 N8 O5, db=43.07, overall=21.53 ]", ""}}, 
   {395.1929, 14.089863, "Meta"} -> {{149229, 101486, 103907}, {"", ""}}, 
   {1720.1184, 14.061962, "Meta"} -> {{325579, 274262, 1}, {"", ""}}, 
   {434.3862, 14.09189, "Meta"} -> {{63620, 71265, 66865}, {"", ""}}, 
   {320.2035, 14.088819, "Meta"} -> {{58812, 49825, 61583}, {"", ""}}, 
   {357.2667, 14.066502, "Meta"} -> {{54596, 91977, 50712}, {"", ""}}, 
   {1803.2148, 14.080516, "Meta"} -> {{127365, 108771, 153068}, {"", ""}}, 
   {1847.2441, 14.088383, "Meta"} -> {{1, 72491, 1}, {"", ""}}, 
   {1852.1967, 14.0926, "Meta"} -> {{1, 117887, 1}, {"", ""}}, 
   {1896.2227, 14.094833, "Meta"} -> {{91683, 67731, 65083}, {"", ""}}, 
   {662.4873, 14.106453, "Meta"} -> {{62308, 49847, 220178}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaeno\
yl)-sn-glycerol [ C43 H66 O5, db=68.73, overall=34.37, KEGG ID=, CAS ID= ]", 
      ""}}, {498.3687, 14.089807, "Meta"} -> {{66409, 71702, 1}, 
     {"(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a,24\
b,24c-trihomo-20-epivitamin D3 [ C32 H50 O4, db=49.58, overall=24.79, Lipid \
ID=LMST03020516, KEGG ID= ]", ""}}, {509.3843, 14.0923605, "Meta"} -> 
    {{6959898, 4111725, 1265999}, {"", ""}}, {466.3657, 14.105546, "Meta"} -> 
    {{846886, 491962, 1219051}, {"6alpha-Hydroxycastasterone [ C28 H50 O5, \
db=82.12, overall=41.06, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {292.2399, 14.107418, "Meta"} -> {{384119, 429730, 242402}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=85.29, overall=42.65, \
HMP ID=HMDB00412, KEGG ID= ]", ""}}, {580.4317, 14.10757, "Meta"} -> 
    {{110155, 73526, 82574}, {"GPCho(O-18:0/4:0) [ C30 H63 N O7 P, db=63.24, \
overall=31.62, Lipid ID=LMGP01020116, KEGG ID= ]", ""}}, 
   {352.2723, 14.1108885, "Meta"} -> {{177309, 133488, 127124}, {"", ""}}, 
   {309.2668, 14.111446, "Meta"} -> {{397018, 205673, 615325}, 
     {"Dicyclomine [ C19 H35 N O2, db=99.35, overall=49.67, KEGG ID=C06951, \
CAS ID=77-19-0 ]", "77-19-0"}}, {222.1617, 14.1038265, "Meta"} -> 
    {{282644, 161602, 783692}, {"", ""}}, {960.7672, 14.101361, "Meta"} -> 
    {{182511, 194147, 60689}, {"", ""}}, {499.2963, 14.121678, "Meta"} -> 
    {{1, 1, 34526}, {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=89.57, \
overall=44.79, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {484.378, 14.105919, "Meta"} -> {{78547, 42296, 43041}, {"", ""}}, 
   {420.3042, 14.12719, "Meta"} -> {{241072, 310016, 95820}, 
     {"3D,7D,11D-Phytanic acid [ C29 H40 O2, db=55.51, overall=27.76, HMP \
ID=HMDB00417, KEGG ID= ]", ""}}, {696.4838, 14.114749, "Meta"} -> 
    {{284715, 215571, 42622}, {"", ""}}, {514.423, 14.141911, "Meta"} -> 
    {{69325, 52456, 88062}, {"", ""}}, {678.511, 14.121193, "Meta"} -> 
    {{211916, 56782, 125766}, {"GPCho(14:0/14:0[U]) [ C36 H73 N O8 P, \
db=73.61, overall=36.81, Lipid ID=LMGP01010478, KEGG ID= ]", ""}}, 
   {895.5533, 14.136167, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {422.34, 14.145611, "Meta"} -> {{329449, 93161, 426871}, {"", ""}}, 
   {340.298, 14.148811, "Meta"} -> {{1711498, 2398924, 522329}, 
     {"20-oxo-heneicosanoic acid [ C21 H40 O3, db=96.35, overall=48.18, Lipid \
ID=, KEGG ID= ]", ""}}, {352.334, 14.145808, "Meta"} -> 
    {{57678, 1, 52282}, {"14Z-tricosenoic acid [ C23 H44 O2, db=81.01, \
overall=40.50, Lipid ID=, KEGG ID= ]", ""}}, 
   {1036.8195, 14.135778, "Meta"} -> {{248362, 283323, 83158}, {"", ""}}, 
   {741.6305, 14.144343, "Meta"} -> {{1903926, 2688602, 320190}, {"", ""}}, 
   {384.3049, 14.142907, "Meta"} -> {{64670, 78471, 227330}, {"", ""}}, 
   {403.3659, 14.148665, "Meta"} -> {{323999, 481035, 200081}, {"", ""}}, 
   {772.5821, 14.131801, "Meta"} -> {{63424, 83709, 98836}, 
     {"GPCho(16:0/19:2(9Z,12Z)[U]) [ C43 H83 N O8 P, db=73.13, overall=36.57, \
Lipid ID=LMGP01010610, KEGG ID= ]", ""}}, {764.5958, 14.144802, "Meta"} -> 
    {{215529, 218792, 104263}, {"", ""}}, {1054.792, 14.132248, "Meta"} -> 
    {{1, 1, 31397}, {"", ""}}, {266.2608, 14.148749, "Meta"} -> 
    {{447997, 627113, 152665}, {"3E,13Z-octadecadien-1-ol [ C18 H34 O, \
db=97.90, overall=48.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {375.3339, 14.148222, "Meta"} -> {{8291679, 1.26*^7, 3102955}, {"", ""}}, 
   {358.3078, 14.148471, "Meta"} -> {{5.89*^7, 8.55*^7, 1.35*^7}, 
     {"1-octadecanoyl-rac-glycerol [ C21 H42 O4, db=98.40, overall=49.20, \
KEGG ID=, CAS ID= ]", ""}}, {418.3406, 14.1476965, "Meta"} -> 
    {{2847495, 4680813, 635666}, {"1alpha,25-dihydroxy-2alpha-methyl-19-norvi\
tamin D3 / 1alpha,25-dihydroxy-2alpha-methyl-19-norcholeca [ C27 H46 O3, \
db=67.02, overall=33.51, Lipid ID=LMST03020553, KEGG ID= ]", ""}}, 
   {639.5801, 14.147194, "Meta"} -> {{88164, 113276, 53836}, {"", ""}}, 
   {1200.9023, 14.160806, "Meta"} -> {{82283, 137894, 30562}, {"", ""}}, 
   {1112.877, 14.148324, "Meta"} -> {{1437881, 2051303, 257899}, {"", ""}}, 
   {814.5844, 14.151257, "Meta"} -> {{365645, 503668, 80995}, {"", ""}}, 
   {769.529, 14.1481085, "Meta"} -> {{336379, 442234, 1}, {"", ""}}, 
   {1471.1823, 14.148783, "Meta"} -> {{1170511, 1812378, 73938}, {"", ""}}, 
   {343.3194, 14.142917, "Meta"} -> {{132672, 140765, 117543}, {"", ""}}, 
   {527.2676, 14.149583, "Meta"} -> {{192328, 248048, 44821}, {"", ""}}, 
   {456.2764, 14.150944, "Meta"} -> {{938669, 1193798, 275754}, {"", ""}}, 
   {480.2429, 14.151414, "Meta"} -> {{67457, 75550, 14569}, {"", ""}}, 
   {389.3503, 14.147706, "Meta"} -> {{135594, 202025, 75840}, {"", ""}}, 
   {424.2965, 14.153561, "Meta"} -> {{103067, 1, 83097}, 
     {"(22E,24E,26E)-1alpha,26b-dihydroxy-22,23,24,25,26,26a-hexadehydro-26a,\
26b-dihomo-27-norvitamin D3 / [ C28 H40 O3, db=44.45, overall=22.22, Lipid \
ID=LMST03020312, KEGG ID= ]", ""}}, {454.3656, 14.155731, "Meta"} -> 
    {{128941, 110856, 158912}, {"", ""}}, {564.5589, 14.166798, "Meta"} -> 
    {{202009, 1, 19665}, {"", ""}}, {426.327, 14.133777, "Meta"} -> 
    {{40328, 32178, 56770}, {"", ""}}, {846.402, 14.16888, "Meta"} -> 
    {{122571, 241505, 33238}, {"", ""}}, {934.6778, 14.200471, "Meta"} -> 
    {{78706, 133611, 42452}, {"", ""}}, {466.1108, 14.175235, "Meta"} -> 
    {{282920, 444301, 432539}, {"", ""}}, {285.267, 14.18239, "Meta"} -> 
    {{226270, 123158, 211524}, {"C17 Sphingosine [ C17 H35 N O2, db=93.80, \
overall=46.90, Lipid ID=LMSP01040002, KEGG ID= ]", ""}}, 
   {436.3163, 14.176588, "Meta"} -> {{276461, 483810, 36600}, 
     {"4,4-difluoro-1alpha-hydroxyvitamin D3 / \
4,4-difluoro-1alpha-hydroxycholecalciferol [ C27 H42 F2 O2, db=84.08, \
overall=42.04, Lipid ID=LMST03020138, KEGG ID= ]", ""}}, 
   {268.24, 14.176917, "Meta"} -> {{1341108, 494550, 667929}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=92.99, overall=46.49, Lipid \
ID=LMFA01030060, KEGG ID= ]", ""}}, {446.3394, 14.189685, "Meta"} -> 
    {{1193519, 429368, 1620950}, {"1alpha,25-dihydroxy-11beta-methoxyvitamin \
D3 / 1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, \
db=80.19, overall=40.09, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {398.3198, 14.172886, "Meta"} -> {{122999, 1, 40929}, 
     {"(22Z)-1beta-hydroxy-22,23-didehydrovitamin D_3 / \
(22Z)-1beta-hydroxy-22,23-didehydrocholecalciferol [ C27 H42 O2, db=77.14, \
overall=38.57, Lipid ID=LMST03020151, KEGG ID= ]", ""}}, 
   {434.2678, 14.188435, "Meta"} -> {{90951, 89083, 74999}, 
     {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, db=84.90, overall=42.45, \
KEGG ID=, CAS ID=114883-29-3 ]", "114883-29-3"}}, 
   {1364.8975, 14.194389, "Meta"} -> {{176323, 157237, 1}, 
     {"Ganglioside GA1 (d18:1/26:1(17Z)) [ C70 H128 N2 O23, db=75.48, \
overall=37.74, HMP ID=HMDB04907, KEGG ID= ]", ""}}, 
   {1447.9952, 14.192001, "Meta"} -> {{896981, 799522, 166265}, {"", ""}}, 
   {1492.0217, 14.194573, "Meta"} -> {{186929, 66684, 141338}, {"", ""}}, 
   {412.2971, 14.195, "Meta"} -> {{1, 80088, 86310}, 
     {"Calcipotriene [ C27 H40 O3, db=80.60, overall=40.30, KEGG ID=, CAS \
ID=112965-21-6 ]", "112965-21-6"}}, {1496.9803, 14.19325, "Meta"} -> 
    {{435675, 73725, 270094}, {"", ""}}, {1420.9965, 14.197917, "Meta"} -> 
    {{409830, 411843, 888854}, {"", ""}}, {1624.1003, 14.197062, "Meta"} -> 
    {{1, 448161, 41528}, {"", ""}}, {1817.2332, 14.199793, "Meta"} -> 
    {{147919, 170102, 1}, {"", ""}}, {1597.101, 14.198148, "Meta"} -> 
    {{355670, 331098, 619847}, {"", ""}}, {1408.9271, 14.194473, "Meta"} -> 
    {{541328, 128346, 66831}, {"", ""}}, {1861.258, 14.196594, "Meta"} -> 
    {{129134, 126381, 176345}, {"", ""}}, {1403.9694, 14.194972, "Meta"} -> 
    {{265871, 236999, 222151}, {"", ""}}, {1452.9532, 14.194514, "Meta"} -> 
    {{483752, 98484, 76937}, {"", ""}}, {1509.0479, 14.196716, "Meta"} -> 
    {{379263, 1, 1}, {"", ""}}, {1465.0219, 14.194402, "Meta"} -> 
    {{404811, 402279, 1}, {"", ""}}, {1553.0742, 14.197194, "Meta"} -> 
    {{381101, 345886, 1}, {"", ""}}, {1562.9896, 14.198364, "Meta"} -> 
    {{295495, 216447, 202003}, {"", ""}}, {1536.0472, 14.194414, "Meta"} -> 
    {{736805, 669102, 108976}, {"", ""}}, {1376.9705, 14.195032, "Meta"} -> 
    {{432421, 443819, 888741}, {"", ""}}, {1602.0566, 14.198463, "Meta"} -> 
    {{522585, 429183, 1}, {"", ""}}, {1729.1761, 14.185585, "Meta"} -> 
    {{223213, 42750, 371160}, {"", ""}}, {1695.0688, 14.195794, "Meta"} -> 
    {{214574, 176329, 132789}, {"", ""}}, {1734.1353, 14.190585, "Meta"} -> 
    {{1, 1, 365550}, {"", ""}}, {1783.1184, 14.192629, "Meta"} -> 
    {{153665, 115784, 88552}, {"", ""}}, {649.9173, 14.20141, "Meta"} -> 
    {{98872, 71594, 69062}, {"", ""}}, {484.2849, 14.207409, "Meta"} -> 
    {{1, 1, 57963}, {"GPGro(16:0/0:0)[U] [ C22 H45 O9 P, db=38.98, \
overall=19.49, Lipid ID=LMGP04050002, KEGG ID= ]", ""}}, 
   {1690.1084, 14.19928, "Meta"} -> {{394351, 323040, 403610}, {"", ""}}, 
   {1739.0945, 14.198658, "Meta"} -> {{170605, 137665, 118125}, {"", ""}}, 
   {1651.0406, 14.192531, "Meta"} -> {{245775, 179682, 178159}, {"", ""}}, 
   {1641.1263, 14.192625, "Meta"} -> {{333991, 325517, 563990}, {"", ""}}, 
   {1271.8907, 14.198788, "Meta"} -> {{934063, 838552, 1030562}, {"", ""}}, 
   {1773.2079, 14.200658, "Meta"} -> {{174967, 169700, 253075}, {"", ""}}, 
   {1822.1873, 14.202721, "Meta"} -> {{229424, 1, 1}, {"", ""}}, 
   {613.9317, 14.198634, "Meta"} -> {{613183, 564006, 570694}, {"", ""}}, 
   {1866.2135, 14.191801, "Meta"} -> {{168055, 139094, 148290}, {"", ""}}, 
   {649.4179, 14.206075, "Meta"} -> {{163643, 115938, 123396}, {"", ""}}, 
   {1276.8481, 14.198558, "Meta"} -> {{59426, 246336, 157879}, {"", ""}}, 
   {1288.9185, 14.196689, "Meta"} -> {{367522, 342910, 831527}, {"", ""}}, 
   {1871.1737, 14.199768, "Meta"} -> {{100941, 76228, 68163}, {"", ""}}, 
   {1232.82, 14.198863, "Meta"} -> {{310790, 245138, 156258}, {"", ""}}, 
   {1827.1462, 14.200866, "Meta"} -> {{125487, 82123, 54237}, {"", ""}}, 
   {1778.1611, 14.200578, "Meta"} -> {{1, 230544, 264934}, {"", ""}}, 
   {1244.8917, 14.2033415, "Meta"} -> {{271099, 290502, 1}, {"", ""}}, 
   {583.7208, 14.204438, "Meta"} -> {{29388, 25830, 54860}, {"", ""}}, 
   {1249.8477, 14.203148, "Meta"} -> {{415294, 380654, 517578}, {"", ""}}, 
   {1200.8668, 14.204945, "Meta"} -> {{213214, 215563, 460697}, {"", ""}}, 
   {365.3013, 14.216527, "Meta"} -> {{56348, 62260, 86844}, {"", ""}}, 
   {1188.7935, 14.202201, "Meta"} -> {{308686, 259856, 189906}, {"", ""}}, 
   {605.8921, 14.206543, "Meta"} -> {{68075, 48478, 1}, {"", ""}}, 
   {1183.8381, 14.204194, "Meta"} -> {{364009, 338568, 773438}, {"", ""}}, 
   {1144.769, 14.20787, "Meta"} -> {{233226, 194312, 146911}, {"", ""}}, 
   {424.3908, 14.209613, "Meta"} -> {{46638, 48499, 26593}, {"", ""}}, 
   {554.3656, 14.166631, "Meta"} -> {{35281, 20452, 91356}, {"", ""}}, 
   {1156.8387, 14.209628, "Meta"} -> {{157492, 148263, 370267}, {"", ""}}, 
   {1139.8115, 14.206183, "Meta"} -> {{255267, 245946, 277174}, {"", ""}}, 
   {406.3804, 14.209417, "Meta"} -> {{45846, 40391, 28882}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=79.02, \
overall=39.51, Lipid ID=, KEGG ID= ]", ""}}, {440.3857, 14.214, "Meta"} -> 
    {{267566, 253823, 190556}, {"", ""}}, {488.3482, 14.211999, "Meta"} -> 
    {{180345, 128393, 1}, {"", ""}}, {1100.7411, 14.209909, "Meta"} -> 
    {{197152, 170007, 125886}, {"", ""}}, {514.4233, 14.214094, "Meta"} -> 
    {{45706, 39965, 210370}, {"", ""}}, {1116.779, 14.224416, "Meta"} -> 
    {{624948, 323263, 1}, {"", ""}}, {328.3451, 14.2168, "Meta"} -> 
    {{158071, 233790, 219302}, {"", ""}}, {283.2869, 14.21733, "Meta"} -> 
    {{6412828, 7008880, 3433229}, {"Stearamide [ C18 H37 N O, db=96.78, \
overall=48.39, KEGG ID=, CAS ID=124-26-5 ]", "124-26-5"}}, 
   {431.3039, 14.195275, "Meta"} -> {{173834, 169787, 193343}, {"", ""}}, 
   {1051.7598, 14.215641, "Meta"} -> {{169533, 143367, 217268}, {"", ""}}, 
   {1095.7856, 14.213828, "Meta"} -> {{323751, 278683, 280773}, {"", ""}}, 
   {1012.6886, 14.219436, "Meta"} -> {{96052, 68183, 66216}, {"", ""}}, 
   {1022.7088, 14.223097, "Meta"} -> {{30904, 32937, 43447}, {"", ""}}, 
   {422.3747, 14.206687, "Meta"} -> {{51540, 47445, 20838}, {"", ""}}, 
   {1007.7326, 14.221612, "Meta"} -> {{136666, 117720, 147391}, {"", ""}}, 
   {518.3967, 14.2736025, "Meta"} -> {{227064, 206134, 222490}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=61.50, \
overall=30.75, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {1885.1884, 14.293885, "Meta"} -> {{117145, 79793, 79191}, {"", ""}}, 
   {325.2996, 14.210102, "Meta"} -> {{1, 30534, 23047}, 
     {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, db=43.24, overall=21.62, \
KEGG ID=, CAS ID= ]", ""}}, {612.4955, 14.216895, "Meta"} -> 
    {{139475, 1, 28640}, {"", ""}}, {624.5072, 14.226657, "Meta"} -> 
    {{186390, 222018, 55586}, {"", ""}}, {538.3636, 14.237194, "Meta"} -> 
    {{186470, 177951, 1}, {"", ""}}, {308.2716, 14.231286, "Meta"} -> 
    {{76133, 68704, 44492}, {"5,11-Eicosadienoic acid [ C20 H36 O2, db=81.25, \
overall=40.62, Lipid ID=, KEGG ID= ]", ""}}, {278.2241, 14.218176, "Meta"} -> 
    {{120454, 78215, 237502}, {"beta-eleostearic acid [ C18 H30 O2, db=83.37, \
overall=41.68, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {963.7065, 14.228668, "Meta"} -> {{67005, 62576, 86372}, {"", ""}}, 
   {369.3356, 14.230916, "Meta"} -> {{331702, 365100, 89083}, {"", ""}}, 
   {309.3033, 14.23247, "Meta"} -> {{1195483, 1529614, 258849}, {"", ""}}, 
   {538.4231, 14.239277, "Meta"} -> {{708297, 719321, 4245825}, 
     {"GPCho(O-16:0/O-4:0[U]) [ C28 H61 N O6 P, db=76.53, overall=38.26, \
Lipid ID=LMGP01040044, KEGG ID= ]", ""}}, {520.413, 14.242222, "Meta"} -> 
    {{1383764, 1451112, 2011878}, {"", ""}}, {647.3629, 14.24356, "Meta"} -> 
    {{35689, 23414, 1}, {"", ""}}, {591.3425, 14.248113, "Meta"} -> 
    {{42822, 41130, 1}, {"", ""}}, {636.3988, 14.250115, "Meta"} -> 
    {{1, 38590, 87712}, {"", ""}}, {1098.8239, 14.252852, "Meta"} -> 
    {{146620, 89764, 157325}, {"", ""}}, {594.3456, 14.25331, "Meta"} -> 
    {{79857, 52380, 47371}, {"L-Urobilin [ C33 H46 N4 O6, db=35.51, \
overall=17.75, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {256.24, 14.260359, "Meta"} -> {{131832, 111483, 33998}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=78.64, overall=39.32, Lipid \
ID=, KEGG ID= ]", ""}}, {387.3139, 14.260241, "Meta"} -> 
    {{71776, 86549, 120091}, {"", ""}}, {373.2977, 14.262173, "Meta"} -> 
    {{106929, 1, 121577}, {"Arachidonoylmorpholine [ C24 H39 N O2, db=92.07, \
overall=46.03, Lipid ID=LMFA08020052, KEGG ID= ]", ""}}, 
   {227.1883, 14.25888, "Meta"} -> {{67381, 55082, 1}, {"", ""}}, 
   {310.2297, 14.267167, "Meta"} -> {{149167, 136813, 104318}, 
     {"Desogestrel [ C22 H30 O, db=87.12, overall=43.56, KEGG ID=, CAS \
ID=54024-22-5 ]", "54024-22-5"}}, {402.2882, 14.268779, "Meta"} -> 
    {{2673838, 1582063, 830828}, {"", ""}}, {359.2815, 14.267722, "Meta"} -> 
    {{1.27*^7, 1.18*^7, 1.*^7}, {"", ""}}, {272.1768, 14.267366, "Meta"} -> 
    {{37031, 23240, 21015}, {"5,8,11-octadecatriynoic acid [ C18 H24 O2, \
db=55.08, overall=27.54, Lipid ID=, KEGG ID= ]", ""}}, 
   {390.3498, 14.261562, "Meta"} -> {{20817, 34454, 1}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=62.19, overall=31.10, \
Lipid ID=, KEGG ID= ]", ""}}, {440.2236, 14.264084, "Meta"} -> 
    {{52587, 45827, 33474}, {"", ""}}, {458.1971, 14.265822, "Meta"} -> 
    {{30321, 19464, 1}, {"", ""}}, {722.4598, 14.266535, "Meta"} -> 
    {{33528, 21736, 11977}, {"", ""}}, {698.4571, 14.2792225, "Meta"} -> 
    {{32977, 38515, 20620}, {"", ""}}, {1016.7246, 14.284067, "Meta"} -> 
    {{65046, 40179, 38574}, {"", ""}}, {234.1617, 14.2904, "Meta"} -> 
    {{800677, 605700, 42867}, {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)\
-9,11-didehydrovitamin D3 / 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, \
db=69.61, overall=34.81, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {416.2236, 14.286627, "Meta"} -> {{63046, 48128, 52690}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=73.66, \
overall=36.83, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {134.1094, 14.287377, "Meta"} -> {{250747, 199680, 156208}, 
     {"p-Cymene [ C10 H14, db=86.48, overall=43.24, Lipid ID=LMPR01020045, \
KEGG ID=C06575 ]", ""}}, {349.2979, 14.288562, "Meta"} -> 
    {{1, 1, 86817}, {"Anandamide (20:3, n-3) [ C22 H39 N O2, db=74.63, \
overall=37.32, Lipid ID=LMFA08040005, KEGG ID= ]", ""}}, 
   {378.288, 14.29039, "Meta"} -> {{1558403, 855322, 554997}, {"", ""}}, 
   {1116.8062, 14.30288, "Meta"} -> {{150907, 148125, 1}, {"", ""}}, 
   {286.2294, 14.290941, "Meta"} -> {{470839, 408544, 317973}, 
     {"11-cis-Retinol [ C20 H30 O, db=99.50, overall=49.75, Lipid \
ID=LMPR01090005, KEGG ID=C00899 ]", ""}}, {318.255, 14.292167, "Meta"} -> 
    {{5744138, 4746346, 3467328}, {"Allopregnanolone [ C21 H34 O2, db=64.02, \
overall=32.01, Lipid ID=LMST02030130, KEGG ID= ]", ""}}, 
   {1310.9695, 14.290519, "Meta"} -> {{13595, 1, 1}, {"", ""}}, 
   {434.1969, 14.290781, "Meta"} -> {{18585, 16921, 19318}, 
     {"Trp Met Val [ C21 H30 N4 O4 S, db=56.25, overall=28.12 ]", ""}}, 
   {335.2815, 14.294109, "Meta"} -> {{8242822, 7980346, 7866860}, {"", ""}}, 
   {468.3816, 14.297306, "Meta"} -> {{4534681, 2087644, 2350681}, {"", ""}}, 
   {1044.7502, 14.296883, "Meta"} -> {{137532, 1, 58714}, {"", ""}}, 
   {674.4608, 14.296427, "Meta"} -> {{42326, 1, 20290}, {"", ""}}, 
   {1022.7092, 14.298482, "Meta"} -> {{121274, 46021, 53154}, {"", ""}}, 
   {1963.3293, 14.298726, "Meta"} -> {{17693, 1, 75425}, {"", ""}}, 
   {577.3202, 14.3007145, "Meta"} -> {{38233, 32027, 25128}, 
     {"dihydro-alpha-ergocryptine [ C32 H43 N5 O5, db=34.25, overall=17.13, \
KEGG ID=, CAS ID= ]", ""}}, {1028.7731, 14.29594, "Meta"} -> 
    {{40597, 40125, 43733}, {"TG(22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z\
)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] [ C69 H104 O6, db=30.37, overall=15.19, \
Lipid ID=LMGL03012602, KEGG ID= ]", ""}}, {468.3218, 14.263261, "Meta"} -> 
    {{1, 609293, 217760}, {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,1\
1-didehydrovitamin D3 / 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=54.09, \
overall=27.05, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {1880.2303, 14.295215, "Meta"} -> {{122179, 129881, 126275}, {"", ""}}, 
   {562.4212, 14.302342, "Meta"} -> {{2648613, 2547509, 1168194}, {"", ""}}, 
   {952.666, 14.2989645, "Meta"} -> {{43401, 31053, 1}, {"", ""}}, 
   {366.3494, 14.30147, "Meta"} -> {{27454, 26323, 17334}, 
     {"Nervonic acid [ C24 H46 O2, db=79.78, overall=39.89, KEGG ID=, CAS \
ID=506-37-6 ]", "506-37-6"}}, {484.287, 14.291407, "Meta"} -> 
    {{29710, 1, 32772}, {"", ""}}, {661.7696, 14.304938, "Meta"} -> 
    {{58005, 53538, 55900}, {"", ""}}, {1836.2034, 14.306453, "Meta"} -> 
    {{180568, 203950, 1}, {"", ""}}, {634.0719, 14.305877, "Meta"} -> 
    {{43507, 38249, 35306}, {"", ""}}, {603.0685, 14.306771, "Meta"} -> 
    {{63579, 64832, 79824}, {"", ""}}, {604.7206, 14.3060255, "Meta"} -> 
    {{48745, 1, 39880}, {"", ""}}, {1748.1512, 14.302379, "Meta"} -> 
    {{327269, 298591, 1}, {"", ""}}, {573.7178, 14.306849, "Meta"} -> 
    {{43011, 45659, 61654}, {"", ""}}, {1792.1765, 14.2968, "Meta"} -> 
    {{277003, 226347, 1}, {"", ""}}, {60.0325, 14.311346, "Meta"} -> 
    {{693345, 380513, 1}, {"Urea [ C H4 N2 O, db=87.29, overall=43.65, KEGG \
ID=C00086, CAS ID=57-13-6 ]", "57-13-6"}}, {968.7169, 14.309335, "Meta"} -> 
    {{77031, 61403, 51840}, {"", ""}}, {1787.222, 14.30246, "Meta"} -> 
    {{180048, 197359, 249404}, {"", ""}}, {559.0424, 14.307241, "Meta"} -> 
    {{36448, 37224, 46841}, {"", ""}}, {590.0455, 14.306272, "Meta"} -> 
    {{39151, 35849, 38068}, {"", ""}}, {1831.2483, 14.304244, "Meta"} -> 
    {{139473, 165974, 1}, {"", ""}}, {1743.1947, 14.307287, "Meta"} -> 
    {{217385, 261160, 1}, {"", ""}}, {647.0946, 14.304667, "Meta"} -> 
    {{61938, 54104, 74411}, {"", ""}}, {1699.1694, 14.298276, "Meta"} -> 
    {{291611, 328825, 1}, {"", ""}}, {630.768, 14.307372, "Meta"} -> 
    {{62026, 64538, 93337}, {"", ""}}, {1665.057, 14.310457, "Meta"} -> 
    {{355152, 249188, 241206}, {"", ""}}, {2012.3074, 14.281552, "Meta"} -> 
    {{40075, 67354, 21569}, {"", ""}}, {1924.2563, 14.306934, "Meta"} -> 
    {{121134, 95494, 87081}, {"", ""}}, {1616.0728, 14.3115015, "Meta"} -> 
    {{1, 462084, 1}, {"", ""}}, {1875.2738, 14.2969675, "Meta"} -> 
    {{104084, 1, 160355}, {"", ""}}, {1550.0645, 14.311656, "Meta"} -> 
    {{653943, 578097, 43441}, {"", ""}}, {648.7473, 14.305516, "Meta"} -> 
    {{42510, 34118, 41810}, {"", ""}}, {1523.0645, 14.315276, "Meta"} -> 
    {{380768, 475919, 662141}, {"", ""}}, {1506.0385, 14.314786, "Meta"} -> 
    {{715044, 625131, 69162}, {"", ""}}, {1462.0117, 14.3143835, "Meta"} -> 
    {{742002, 677402, 744935}, {"", ""}}, {298.2506, 14.321658, "Meta"} -> 
    {{589926, 508689, 142104}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=73.00, overall=36.50, Lipid ID=, KEGG ID= ]", ""}}, 
   {650.4595, 14.318721, "Meta"} -> {{34229, 25012, 19757}, {"", ""}}, 
   {1435.0125, 14.319297, "Meta"} -> {{406639, 495656, 683641}, {"", ""}}, 
   {152.1198, 14.325621, "Meta"} -> {{24883, 31932, 25614}, 
     {"Limonene-1,2-epoxide [ C10 H16 O, db=71.21, overall=35.61, Lipid \
ID=LMPR01020046, KEGG ID=C07271 ]", ""}}, {1417.9856, 14.31611, "Meta"} -> 
    {{813033, 688578, 1}, {"", ""}}, {596.3593, 14.318885, "Meta"} -> 
    {{105888, 77987, 67538}, {"", ""}}, {1373.9594, 14.321887, "Meta"} -> 
    {{754330, 684360, 739519}, {"", ""}}, {944.712, 14.3222, "Meta"} -> 
    {{92777, 74695, 71988}, {"", ""}}, {196.1459, 14.323223, "Meta"} -> 
    {{26567, 20094, 1}, {"4-dodecynoic acid [ C12 H20 O2, db=55.50, \
overall=27.75, Lipid ID=, KEGG ID= ]", ""}}, 
   {1329.9312, 14.326601, "Meta"} -> {{733157, 115908, 700841}, {"", ""}}, 
   {1346.9602, 14.32572, "Meta"} -> {{339491, 410757, 1}, {"", ""}}, 
   {626.4591, 14.3310995, "Meta"} -> {{124594, 28643, 1}, {"", ""}}, 
   {244.2189, 14.325999, "Meta"} -> {{144591, 126758, 95424}, {"", ""}}, 
   {325.2979, 14.328285, "Meta"} -> {{66978, 52880, 51687}, 
     {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, db=68.35, overall=34.18, \
KEGG ID=, CAS ID= ]", ""}}, {294.2551, 14.3272505, "Meta"} -> 
    {{1.85*^7, 1.44*^7, 1.12*^7}, {"Sterculic acid [ C19 H34 O2, db=82.34, \
overall=41.17, Lipid ID=LMFA01030190, KEGG ID= ]", ""}}, 
   {262.2296, 14.327582, "Meta"} -> {{661705, 561694, 4719031}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=81.28, overall=40.64, Lipid \
ID=, KEGG ID= ]", ""}}, {238.1927, 14.326264, "Meta"} -> 
    {{31792, 31985, 16136}, {"3-pentadecynoic acid [ C15 H26 O2, db=57.86, \
overall=28.93, Lipid ID=, KEGG ID= ]", ""}}, {392.2238, 14.332555, "Meta"} -> 
    {{125867, 112311, 104984}, {"6b-Hydroxycortisol [ C22 H32 O6, db=57.81, \
overall=28.91, KEGG ID=, CAS ID=53-35-0 ]", "53-35-0"}}, 
   {1285.907, 14.330352, "Meta"} -> {{635833, 591881, 626552}, {"", ""}}, 
   {198.1614, 14.327666, "Meta"} -> {{60961, 1, 1}, 
     {"9-lauroleic acid [ C12 H22 O2, db=55.65, overall=27.83, Lipid \
ID=LMFA01030041, KEGG ID= ]", ""}}, {311.2817, 14.328415, "Meta"} -> 
    {{6996587, 6743072, 6157661}, {"", ""}}, {354.2882, 14.326629, "Meta"} -> 
    {{1964333, 1122251, 866821}, {"", ""}}, {1241.8809, 14.334071, "Meta"} -> 
    {{113549, 59023, 430240}, {"", ""}}, {410.1968, 14.332834, "Meta"} -> 
    {{29644, 1, 25616}, {"", ""}}, {920.7121, 14.328693, "Meta"} -> 
    {{183508, 146514, 96009}, {"", ""}}, {372.3238, 14.330667, "Meta"} -> 
    {{425572, 859677, 41250}, {"13,14-dihydroxy-docosanoic acid [ C22 H44 O4, \
db=92.68, overall=46.34, Lipid ID=, KEGG ID= ]", ""}}, 
   {1180.7678, 14.332838, "Meta"} -> {{139002, 96253, 1}, {"", ""}}, 
   {1214.8828, 14.336967, "Meta"} -> {{130579, 159692, 198058}, {"", ""}}, 
   {1258.907, 14.333887, "Meta"} -> {{232685, 215588, 395042}, {"", ""}}, 
   {1170.852, 14.335778, "Meta"} -> {{235612, 99266, 131063}, {"", ""}}, 
   {1197.8549, 14.342236, "Meta"} -> {{52690, 457466, 441976}, {"", ""}}, 
   {1202.8094, 14.343749, "Meta"} -> {{65724, 48823, 49474}, {"", ""}}, 
   {1246.8376, 14.333188, "Meta"} -> {{375335, 262606, 65519}, {"", ""}}, 
   {1070.7347, 14.356584, "Meta"} -> {{56495, 49343, 1}, {"", ""}}, 
   {587.9054, 14.341818, "Meta"} -> {{98169, 92761, 97935}, {"", ""}}, 
   {754.5154, 14.349834, "Meta"} -> {{85507, 60265, 1}, {"", ""}}, 
   {576.9138, 14.348359, "Meta"} -> {{167024, 154059, 15431}, {"", ""}}, 
   {442.4017, 14.35682, "Meta"} -> {{297131, 212387, 78374}, {"", ""}}, 
   {424.3913, 14.357807, "Meta"} -> {{64084, 52290, 18575}, {"", ""}}, 
   {406.3808, 14.358058, "Meta"} -> {{52582, 46579, 18426}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=83.65, \
overall=41.82, Lipid ID=, KEGG ID= ]", ""}}, 
   {1109.8003, 14.359261, "Meta"} -> {{64603, 68097, 87366}, {"", ""}}, 
   {880.6371, 14.358142, "Meta"} -> {{20570, 22031, 1}, {"", ""}}, 
   {854.6613, 14.358676, "Meta"} -> {{43789, 35914, 12074}, {"", ""}}, 
   {802.5359, 14.362123, "Meta"} -> {{3026511, 1, 2419433}, {"", ""}}, 
   {390.2761, 14.363417, "Meta"} -> {{9174280, 2.04*^7, 9905369}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=96.27, \
overall=48.13, Lipid ID=, KEGG ID= ]", ""}}, {166.0263, 14.363825, "Meta"} -> 
    {{49186, 56736, 56597}, {"Benzoquinoneacetic acid [ C8 H6 O4, db=86.34, \
overall=43.17, HMP ID=HMDB02334, KEGG ID= ]", ""}}, 
   {506.2177, 14.361897, "Meta"} -> {{17133, 1, 23184}, {"", ""}}, 
   {488.2453, 14.363861, "Meta"} -> {{42346, 34298, 38467}, 
     {"(3a,5b,7a,12a)-3,7-dihydroxy-12-(sulfooxy)cholan-24-oic acid [ C24 H40 \
O8 S, db=80.09, overall=40.05, HMP ID=HMDB02600, KEGG ID= ]", ""}}, 
   {1065.7736, 14.364685, "Meta"} -> {{42623, 54076, 57059}, {"", ""}}, 
   {148.0158, 14.363888, "Meta"} -> {{422149, 453072, 467082}, {"", ""}}, 
   {435.3347, 14.36872, "Meta"} -> {{364245, 680814, 828427}, {"", ""}}, 
   {260.1407, 14.364168, "Meta"} -> {{29866, 25510, 26278}, {"", ""}}, 
   {510.3212, 14.366528, "Meta"} -> {{237147, 196918, 176873}, 
     {"GPCho(8:0/8:0) [ C24 H49 N O8 P, db=69.20, overall=34.60, Lipid \
ID=LMGP01011251, KEGG ID= ]", ""}}, {421.319, 14.36807, "Meta"} -> 
    {{105002, 119837, 114436}, {"", ""}}, {278.1517, 14.363973, "Meta"} -> 
    {{153693, 173327, 161627}, {"", ""}}, {56.0626, 14.364111, "Meta"} -> 
    {{1, 149869, 1}, {"", ""}}, {559.2364, 14.3670025, "Meta"} -> 
    {{53563, 42909, 43277}, {"", ""}}, {707.5107, 14.365907, "Meta"} -> 
    {{36929, 53751, 25691}, {"", ""}}, {723.5778, 14.369323, "Meta"} -> 
    {{141600, 134523, 128259}, {"", ""}}, {472.2919, 14.36994, "Meta"} -> 
    {{41406, 56335, 76806}, {"", ""}}, {612.496, 14.377229, "Meta"} -> 
    {{74736, 379485, 67502}, {"", ""}}, {693.5309, 14.366889, "Meta"} -> 
    {{123578, 116279, 100290}, {"", ""}}, {311.3178, 14.3759985, "Meta"} -> 
    {{859184, 775639, 984620}, {"", ""}}, {242.1879, 14.379251, "Meta"} -> 
    {{95585, 85106, 79356}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
db=85.66, overall=42.83, Lipid ID=, KEGG ID= ]", ""}}, 
   {206.1667, 14.376665, "Meta"} -> {{58925, 36031, 48571}, {"", ""}}, 
   {260.1984, 14.38937, "Meta"} -> {{62657, 66084, 62530}, 
     {"3,11-dihydroxy myristoic acid [ C14 H28 O4, db=63.47, overall=31.73, \
Lipid ID=LMFA01050081, KEGG ID= ]", ""}}, {996.7662, 14.379554, "Meta"} -> 
    {{20024, 22216, 1}, {"", ""}}, {429.2323, 14.385517, "Meta"} -> 
    {{90336, 65878, 42634}, {"", ""}}, {2021.3699, 14.398199, "Meta"} -> 
    {{51026, 1, 63239}, {"", ""}}, {504.4169, 14.390971, "Meta"} -> 
    {{82402, 142592, 1}, {"", ""}}, {540.4393, 14.375798, "Meta"} -> 
    {{102954, 1768184, 109217}, {"", ""}}, {890.7617, 14.388518, "Meta"} -> 
    {{155135, 152057, 1}, {"", ""}}, {298.2869, 14.3915205, "Meta"} -> 
    {{118778, 112773, 1}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
db=67.14, overall=33.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {397.2157, 14.390834, "Meta"} -> {{36083, 26738, 1}, {"", ""}}, 
   {666.5123, 14.391109, "Meta"} -> {{135824, 128443, 58466}, {"", ""}}, 
   {400.2142, 14.393068, "Meta"} -> {{1, 66168, 25138}, 
     {"Trp Pro Val [ C21 H28 N4 O4, db=30.15, overall=15.08 ]", ""}}, 
   {284.2715, 14.392412, "Meta"} -> {{124311, 367027, 130079}, 
     {"Stearic acid [ C18 H36 O2, db=99.03, overall=49.51, KEGG ID=, CAS \
ID=57-11-4 ]", "57-11-4"}}, {432.2395, 14.391428, "Meta"} -> 
    {{38919, 32910, 1}, {"", ""}}, {382.2398, 14.392168, "Meta"} -> 
    {{235992, 266779, 126135}, {"", ""}}, {514.3634, 14.388402, "Meta"} -> 
    {{233431, 205573, 1}, {"", ""}}, {442.2629, 14.3930025, "Meta"} -> 
    {{95284, 97825, 58990}, {"", ""}}, {457.239, 14.3956, "Meta"} -> 
    {{23022, 21517, 14306}, {"", ""}}, {408.3599, 14.406938, "Meta"} -> 
    {{1, 16240, 53109}, {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, \
db=75.02, overall=37.51, Lipid ID=, KEGG ID= ]", ""}}, 
   {1938.2709, 14.402037, "Meta"} -> {{133996, 1, 129198}, {"", ""}}, 
   {250.193, 14.395028, "Meta"} -> {{123659, 123888, 94330}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=73.78, overall=36.89, \
Lipid ID=, KEGG ID= ]", ""}}, {301.2979, 14.39117, "Meta"} -> 
    {{27815, 41584, 1}, {"Dihydrosphingosine [ C18 H39 N O2, db=85.23, \
overall=42.62, KEGG ID=C00836, CAS ID=764-22-7 ]", "764-22-7"}}, 
   {522.4279, 14.397862, "Meta"} -> {{502440, 220414, 199982}, {"", ""}}, 
   {1933.3156, 14.403201, "Meta"} -> {{102511, 1, 122770}, {"", ""}}, 
   {416.2903, 14.408222, "Meta"} -> {{62270, 42805, 56448}, 
     {"(24R,25S)-25,26-epoxy-1alpha,24-dihydroxy-27-norvitamin D3 / \
(24R,25S)-25,26-epoxy-1alpha,24-dihydro [ C26 H40 O4, db=47.47, \
overall=23.74, Lipid ID=LMST03020037, KEGG ID= ]", ""}}, 
   {566.3937, 14.392841, "Meta"} -> {{1, 205978, 118103}, {"", ""}}, 
   {474.37, 14.399874, "Meta"} -> {{114028, 63566, 61363}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=85.87, \
overall=42.94, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {612.4365, 14.406086, "Meta"} -> {{1050750, 980475, 731731}, {"", ""}}, 
   {470.3972, 14.407165, "Meta"} -> {{36162, 231183, 60500}, {"", ""}}, 
   {1850.2188, 14.408482, "Meta"} -> {{227109, 193593, 1}, {"", ""}}, 
   {566.4545, 14.401355, "Meta"} -> {{1125217, 224928, 1}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=61.55, overall=30.77, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {443.3973, 14.4052, "Meta"} -> 
    {{1, 118435, 61418}, {"", ""}}, {681.1175, 14.41128, "Meta"} -> 
    {{38441, 32921, 55523}, {"", ""}}, {1899.2042, 14.408434, "Meta"} -> 
    {{108814, 88652, 75035}, {"", ""}}, {1943.2288, 14.400298, "Meta"} -> 
    {{66342, 1, 56024}, {"", ""}}, {664.7895, 14.409922, "Meta"} -> 
    {{1, 40232, 54603}, {"", ""}}, {448.3536, 14.37326, "Meta"} -> 
    {{299452, 440212, 1}, {"Teasterone [ C28 H48 O4, db=51.26, overall=25.63, \
Lipid ID=LMST01030121, KEGG ID= ]", ""}}, {1806.1923, 14.411065, "Meta"} -> 
    {{250740, 222919, 244728}, {"", ""}}, {486.4034, 14.407399, "Meta"} -> 
    {{31254, 28455, 55956}, {"1alpha,25-dihydroxy-2beta-pentylvitamin D3 / \
1alpha,25-dihydroxy-2beta-pentylcholecalciferol [ C32 H54 O3, db=34.55, \
overall=17.27, Lipid ID=LMST03020520, KEGG ID= ]", ""}}, 
   {1855.1772, 14.401386, "Meta"} -> {{128183, 1, 88023}, {"", ""}}, 
   {651.7665, 14.412334, "Meta"} -> {{1, 48932, 62078}, {"", ""}}, 
   {593.0646, 14.419587, "Meta"} -> {{33104, 26460, 44342}, {"", ""}}, 
   {370.3077, 14.410557, "Meta"} -> {{2189374, 9853444, 1743347}, 
     {"Docosanedioic acid [ C22 H42 O4, db=97.13, overall=48.56, Lipid \
ID=LMFA01170037, KEGG ID= ]", ""}}, {404.3647, 14.4150305, "Meta"} -> 
    {{125594, 107270, 46295}, {"5beta-Cholestane-3alpha,7alpha-diol [ C27 H48 \
O2, db=79.14, overall=39.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {1757.2117, 14.41254, "Meta"} -> {{217262, 1, 247309}, {"", ""}}, 
   {1801.2352, 14.410735, "Meta"} -> {{195457, 205609, 202530}, {"", ""}}, 
   {1811.1512, 14.408364, "Meta"} -> {{158158, 107361, 114455}, {"", ""}}, 
   {1762.1667, 14.414145, "Meta"} -> {{278792, 1, 286438}, {"", ""}}, 
   {390.3488, 14.408688, "Meta"} -> {{31207, 78466, 1}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=54.78, overall=27.39, \
Lipid ID=, KEGG ID= ]", ""}}, {583.4808, 14.395259, "Meta"} -> 
    {{39807, 1, 23678}, {"", ""}}, {637.0912, 14.41594, "Meta"} -> 
    {{1, 33419, 53575}, {"", ""}}, {511.4232, 14.415657, "Meta"} -> 
    {{1, 140560, 80000}, {"", ""}}, {387.335, 14.411082, "Meta"} -> 
    {{262314, 657829, 133434}, {"", ""}}, {470.097, 14.418974, "Meta"} -> 
    {{1.46*^7, 9475952, 2639124}, {"", ""}}, {493.0873, 14.415969, "Meta"} -> 
    {{78497, 50544, 18771}, {"", ""}}, {1723.0979, 14.419501, "Meta"} -> 
    {{206054, 1, 136697}, {"", ""}}, {1625.133, 14.422751, "Meta"} -> 
    {{251399, 318894, 297961}, {"", ""}}, {1630.0883, 14.423135, "Meta"} -> 
    {{374013, 335710, 346679}, {"", ""}}, {1635.048, 14.425599, "Meta"} -> 
    {{221872, 1, 171164}, {"", ""}}, {1586.0623, 14.426733, "Meta"} -> 
    {{376127, 355433, 377017}, {"", ""}}, {447.2265, 14.425441, "Meta"} -> 
    {{30075, 86288, 1}, 
     {"Ser Arg Trp [ C20 H29 N7 O5, db=50.01, overall=25.00 ]", ""}}, 
   {1581.1057, 14.426365, "Meta"} -> {{276947, 314716, 340437}, {"", ""}}, 
   {404.3037, 14.428638, "Meta"} -> {{886008, 521793, 557409}, {"", ""}}, 
   {1542.0363, 14.429039, "Meta"} -> {{383998, 334286, 1}, {"", ""}}, 
   {375.3134, 14.427285, "Meta"} -> {{35237, 1, 43012}, 
     {"N-(1,1-dimethyl-2-hydroxy-ethyl) arachidonoyl amine [ C24 H41 N O2, \
db=81.75, overall=40.88, Lipid ID=LMFA08020019, KEGG ID= ]", ""}}, 
   {1591.0197, 14.430484, "Meta"} -> {{226667, 139627, 142512}, {"", ""}}, 
   {361.2974, 14.432083, "Meta"} -> {{4595259, 4166776, 3398639}, 
     {"N-methyl N-(2-hydroxy-ethyl) arachidonoyl amine [ C23 H39 N O2, \
db=97.58, overall=48.79, Lipid ID=LMFA08020025, KEGG ID= ]", ""}}, 
   {344.2712, 14.433056, "Meta"} -> {{1256403, 836321, 3035923}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=99.04, \
overall=49.52, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {1546.9941, 14.433572, "Meta"} -> {{223171, 166604, 158328}, {"", ""}}, 
   {1476.0247, 14.427167, "Meta"} -> {{1, 52345, 396254}, {"", ""}}, 
   {506.4327, 14.461076, "Meta"} -> {{1, 21952, 21462}, {"", ""}}, 
   {1502.967, 14.438209, "Meta"} -> {{211621, 1, 149866}, {"", ""}}, 
   {420.3577, 14.4446125, "Meta"} -> {{131926, 115697, 39445}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=65.27, \
overall=32.64, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {1387.9729, 14.434806, "Meta"} -> {{75318, 311657, 69358}, {"", ""}}, 
   {1493.0544, 14.434714, "Meta"} -> {{240144, 1, 318756}, {"", ""}}, 
   {511.2607, 14.419092, "Meta"} -> {{32398, 54992, 48201}, {"", ""}}, 
   {1449.0283, 14.43929, "Meta"} -> {{1, 1, 270580}, {"", ""}}, 
   {380.3653, 14.448362, "Meta"} -> {{176033, 166980, 59118}, 
     {"17Z-pentacosenoic acid [ C25 H48 O2, db=96.33, overall=48.17, Lipid \
ID=, KEGG ID= ]", ""}}, {1405.001, 14.443967, "Meta"} -> 
    {{205011, 254123, 225299}, {"CL(1'-[16:0/18:1(11Z)],3'-[16:0/18:1(11Z)]) \
[ C77 H146 O17 P2, db=86.52, overall=43.26, Lipid ID=LMGP12010006, KEGG ID= \
]", ""}}, {1321.905, 14.456001, "Meta"} -> {{1, 174011, 175513}, {"", ""}}, 
   {1316.9497, 14.455285, "Meta"} -> {{141579, 175237, 165176}, {"", ""}}, 
   {438.3322, 14.440999, "Meta"} -> {{1, 1, 39781}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=78.36, \
overall=39.18, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {1277.8792, 14.461234, "Meta"} -> {{147248, 132655, 134998}, {"", ""}}, 
   {1118.9772, 14.463029, "Meta"} -> {{87830, 1, 39591}, {"", ""}}, 
   {636.9634, 14.461871, "Meta"} -> {{32254, 39819, 38144}, {"", ""}}, 
   {848.7128, 14.462386, "Meta"} -> {{35765, 26158, 1}, {"", ""}}, 
   {1238.8083, 14.467372, "Meta"} -> {{72802, 46661, 47848}, {"", ""}}, 
   {270.2551, 14.466167, "Meta"} -> {{2.17*^7, 1.61*^7, 7584678}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=94.77, overall=47.38, \
Lipid ID=, KEGG ID= ]", ""}}, {287.2824, 14.466778, "Meta"} -> 
    {{1501849, 1593875, 703681}, {"C17 Sphinganine [ C17 H37 N O2, db=99.39, \
overall=49.69, Lipid ID=LMSP01040003, KEGG ID= ]", ""}}, 
   {400.334, 14.474161, "Meta"} -> {{83898, 42058, 1}, 
     {"(5E)-1alpha-hydroxy-3-epivitamin D_3 / \
(5E)-1alpha-hydroxy-3-epicholecalciferol [ C27 H44 O2, db=88.78, \
overall=44.39, Lipid ID=LMST03020234, KEGG ID= ]", ""}}, 
   {1194.7839, 14.473861, "Meta"} -> {{33971, 20087, 17580}, {"", ""}}, 
   {1168.9875, 14.479252, "Meta"} -> {{52878, 1, 19050}, {"", ""}}, 
   {330.2883, 14.466946, "Meta"} -> {{490614, 257306, 242757}, {"", ""}}, 
   {320.2708, 14.478832, "Meta"} -> {{9846521, 6374407, 4504106}, 
     {"3a,20b-Pregnanediol [ C21 H36 O2, db=92.32, overall=46.16, HMP \
ID=HMDB02156, KEGG ID= ]", ""}}, {684.1372, 14.495041, "Meta"} -> 
    {{32197, 45859, 50016}, {"", ""}}, {418.2392, 14.489999, "Meta"} -> 
    {{1, 1, 18881}, 
     {"Met Arg Leu [ C17 H34 N6 O4 S, db=55.58, overall=27.79 ]", ""}}, 
   {337.2972, 14.478779, "Meta"} -> {{5806273, 5156994, 3175008}, {"", ""}}, 
   {948.7409, 14.486519, "Meta"} -> {{1, 51206, 67255}, {"", ""}}, 
   {288.2448, 14.4851265, "Meta"} -> {{74589, 50296, 37643}, 
     {"8-[5]-ladderane-1-octanol [ C20 H32 O, db=62.66, overall=31.33, Lipid \
ID=, KEGG ID= ]", ""}}, {380.3036, 14.478943, "Meta"} -> 
    {{875729, 461501, 396958}, {"", ""}}, {351.3139, 14.491401, "Meta"} -> 
    {{38064, 44804, 37625}, {"Anandamide (20:2, n-6) [ C22 H41 N O2, \
db=69.92, overall=34.96, Lipid ID=LMFA08040002, KEGG ID= ]", ""}}, 
   {1124.8135, 14.482899, "Meta"} -> {{123970, 44717, 78837}, {"", ""}}, 
   {654.7867, 14.500103, "Meta"} -> {{33975, 53023, 59903}, {"", ""}}, 
   {671.1134, 14.4969425, "Meta"} -> {{47868, 40851, 54554}, {"", ""}}, 
   {645.3889, 14.488171, "Meta"} -> {{171322, 1, 144192}, {"", ""}}, 
   {426.2745, 14.497218, "Meta"} -> {{70265, 96531, 79995}, 
     {"(23S)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone [ C27 H38 \
O4, db=63.52, overall=31.76, Lipid ID=LMST03020599, KEGG ID= ]", ""}}, 
   {685.7893, 14.4935665, "Meta"} -> {{37152, 1, 50616}, {"", ""}}, 
   {1947.3323, 14.498856, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1996.3118, 14.491321, "Meta"} -> {{93254, 83260, 92431}, {"", ""}}, 
   {641.7627, 14.502058, "Meta"} -> {{45284, 37770, 48447}, {"", ""}}, 
   {636.4919, 14.474574, "Meta"} -> {{341415, 283094, 235355}, {"", ""}}, 
   {2040.3385, 14.493648, "Meta"} -> {{1, 52917, 71522}, {"", ""}}, 
   {627.0879, 14.50506, "Meta"} -> {{45365, 39715, 42143}, {"", ""}}, 
   {1991.3583, 14.495925, "Meta"} -> {{66135, 78961, 73856}, {"", ""}}, 
   {494.3971, 14.493335, "Meta"} -> {{627165, 1, 1}, {"", ""}}, 
   {592.4704, 14.502999, "Meta"} -> {{2496306, 2073642, 6873550}, {"", ""}}, 
   {919.681, 14.505394, "Meta"} -> {{20001, 32003, 1}, {"", ""}}, 
   {807.8639, 14.509769, "Meta"} -> {{1, 31260, 38415}, {"", ""}}, 
   {1903.3048, 14.502486, "Meta"} -> {{96884, 100255, 93317}, {"", ""}}, 
   {793.1883, 14.512266, "Meta"} -> {{50800, 30682, 30930}, {"", ""}}, 
   {1952.2863, 14.502277, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1869.194, 14.502086, "Meta"} -> {{105849, 79413, 80727}, {"", ""}}, 
   {1908.2607, 14.504808, "Meta"} -> {{128388, 131752, 141613}, {"", ""}}, 
   {1820.2089, 14.511034, "Meta"} -> {{1, 152351, 174804}, {"", ""}}, 
   {963.707, 14.513001, "Meta"} -> {{19510, 27383, 1}, {"", ""}}, 
   {1781.1418, 14.511568, "Meta"} -> {{130606, 85996, 91835}, {"", ""}}, 
   {1776.1823, 14.514804, "Meta"} -> {{228819, 1, 201559}, {"", ""}}, 
   {386.3397, 14.511031, "Meta"} -> {{772593, 1286307, 96435}, 
     {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=96.95, overall=48.47, KEGG \
ID=, CAS ID= ]", ""}}, {1815.2509, 14.512214, "Meta"} -> 
    {{137932, 146636, 143050}, {"", ""}}, {252.2088, 14.522425, "Meta"} -> 
    {{32705, 40371, 30255}, {"2E,4E-hexadecadienoic acid [ C16 H28 O2, \
db=60.20, overall=30.10, Lipid ID=, KEGG ID= ]", ""}}, 
   {1771.2264, 14.515609, "Meta"} -> {{124925, 1, 159819}, {"", ""}}, 
   {294.2194, 14.478001, "Meta"} -> {{90603, 21833, 101284}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=80.00, overall=40.00, \
Lipid ID=, KEGG ID= ]", ""}}, {546.4281, 14.479806, "Meta"} -> 
    {{606519, 465592, 470397}, {"", ""}}, {749.1626, 14.516725, "Meta"} -> 
    {{1, 27254, 26092}, {"", ""}}, {596.4413, 14.516907, "Meta"} -> 
    {{107130, 121200, 117278}, {"", ""}}, {278.2243, 14.527305, "Meta"} -> 
    {{401629, 441840, 451349}, {"beta-eleostearic acid [ C18 H30 O2, \
db=62.70, overall=31.35, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {763.8373, 14.514566, "Meta"} -> {{43222, 24355, 1}, {"", ""}}, 
   {276.2084, 14.51291, "Meta"} -> {{50473, 55227, 42962}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=79.59, overall=39.79, Lipid \
ID=, KEGG ID= ]", ""}}, {1222.882, 14.507078, "Meta"} -> 
    {{142315, 118342, 1}, {"", ""}}, {1693.0908, 14.519001, "Meta"} -> 
    {{164320, 91246, 85043}, {"", ""}}, {1683.1736, 14.522961, "Meta"} -> 
    {{151127, 1, 186762}, {"", ""}}, {576.4755, 14.530964, "Meta"} -> 
    {{1171377, 1, 976740}, {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-\
sn-glycerol [ C36 H64 O5, db=81.99, overall=40.99, KEGG ID=, CAS ID= ]", 
      ""}}, {1112.8135, 14.532041, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1551.0957, 14.537624, "Meta"} -> {{133499, 180459, 144698}, {"", ""}}, 
   {1507.0687, 14.543251, "Meta"} -> {{1, 1, 137110}, {"", ""}}, 
   {1463.0459, 14.548631, "Meta"} -> {{105660, 154544, 112518}, {"", ""}}, 
   {412.2124, 14.560958, "Meta"} -> {{27550, 12225, 14352}, {"", ""}}, 
   {264.2448, 14.558638, "Meta"} -> {{129912, 88562, 55939}, 
     {"9,12-octadecadienal [ C18 H32 O, db=90.59, overall=45.30, Lipid ID=, \
KEGG ID= ]", ""}}, {296.2707, 14.557776, "Meta"} -> 
    {{1.29*^7, 8155753, 2018117}, {"10-methylene-octadecanoic acid [ C19 H36 \
O2, db=84.40, overall=42.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {394.2399, 14.56191, "Meta"} -> {{82922, 53342, 51054}, {"", ""}}, 
   {356.3036, 14.558113, "Meta"} -> {{506491, 294176, 299668}, {"", ""}}, 
   {313.2974, 14.558834, "Meta"} -> {{3350851, 3170233, 1670506}, 
     {"N-(2-hydroxyethyl)heptadecanamide [ C19 H39 N O2, db=99.60, \
overall=49.80, KEGG ID=, CAS ID= ]", ""}}, {327.3145, 14.5584135, "Meta"} -> 
    {{19092, 25547, 13887}, {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, \
db=63.74, overall=31.87, KEGG ID=, CAS ID= ]", ""}}, 
   {496.4124, 14.55775, "Meta"} -> {{48034, 44372, 71827}, {"", ""}}, 
   {1330.9644, 14.569345, "Meta"} -> {{49753, 57893, 29728}, {"", ""}}, 
   {1224.9006, 14.558654, "Meta"} -> {{236315, 1, 274928}, {"", ""}}, 
   {719.8112, 14.559839, "Meta"} -> {{28642, 1, 48954}, {"", ""}}, 
   {323.3189, 14.573417, "Meta"} -> {{602179, 876443, 252755}, {"", ""}}, 
   {2054.3523, 14.574896, "Meta"} -> {{86616, 24671, 1}, {"", ""}}, 
   {563.4318, 14.564408, "Meta"} -> {{1109621, 712430, 1}, {"", ""}}, 
   {827.2118, 14.585125, "Meta"} -> {{1, 32167, 32759}, {"", ""}}, 
   {387.3137, 14.578861, "Meta"} -> {{102023, 93488, 65024}, {"", ""}}, 
   {1128.8441, 14.582754, "Meta"} -> {{44609, 43777, 60514}, {"", ""}}, 
   {180.1507, 14.5836115, "Meta"} -> {{36988, 33792, 41071}, 
     {"3,6,8-dodecatrien-1-ol [ C12 H20 O, db=70.80, overall=35.40, Lipid \
ID=, KEGG ID= ]", ""}}, {435.3027, 14.588826, "Meta"} -> 
    {{152480, 146542, 39763}, {"", ""}}, {394.3806, 14.587612, "Meta"} -> 
    {{106675, 115995, 37518}, {"Ximenic acid [ C26 H50 O2, db=85.28, \
overall=42.64, Lipid ID=LMFA01030095, KEGG ID= ]", ""}}, 
   {337.3338, 14.585556, "Meta"} -> {{2.48*^7, 1.37*^7, 3574773}, {"", ""}}, 
   {198.1615, 14.583165, "Meta"} -> {{127846, 124387, 156366}, 
     {"9-lauroleic acid [ C12 H22 O2, db=95.30, overall=47.65, Lipid \
ID=LMFA01030041, KEGG ID= ]", ""}}, {457.3779, 14.587459, "Meta"} -> 
    {{141689, 110263, 42618}, {"", ""}}, {397.3668, 14.5889435, "Meta"} -> 
    {{1739089, 1216053, 663308}, {"", ""}}, {518.3949, 14.583486, "Meta"} -> 
    {{318810, 283000, 378347}, {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)\
vitamin D3 / 1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, \
db=54.02, overall=27.01, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {382.3923, 14.588941, "Meta"} -> {{179722, 434186, 81958}, {"", ""}}, 
   {618.6064, 14.58071, "Meta"} -> {{184037, 75908, 1}, {"", ""}}, 
   {2010.329, 14.5813465, "Meta"} -> {{90796, 1, 62174}, {"", ""}}, 
   {749.5934, 14.587584, "Meta"} -> {{147628, 435905, 39814}, {"", ""}}, 
   {434.3736, 14.585371, "Meta"} -> {{75956, 74489, 30206}, 
     {"6-deoxoteasterone [ C28 H50 O3, db=57.43, overall=28.72, Lipid \
ID=LMST01030120, KEGG ID= ]", ""}}, {368.3762, 14.587169, "Meta"} -> 
    {{61378, 102639, 28016}, {"", ""}}, {675.7857, 14.585401, "Meta"} -> 
    {{1, 32753, 29934}, {"", ""}}, {570.4849, 14.596359, "Meta"} -> 
    {{105105, 137997, 141660}, {"Dihydrospheroidene/ Methoxyneurosporene [ \
C41 H62 O, db=48.91, overall=24.45, Lipid ID=LMPR01070149, KEGG ID= ]", ""}}, 
   {646.5057, 14.597443, "Meta"} -> {{2907245, 2252924, 313509}, {"", ""}}, 
   {777.6257, 14.593777, "Meta"} -> {{1048828, 1199728, 305877}, {"", ""}}, 
   {1878.251, 14.597361, "Meta"} -> {{96374, 61593, 91721}, {"", ""}}, 
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    {{121483, 108509, 108644}, {"", ""}}, {311.3186, 14.611917, "Meta"} -> 
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    {{53907, 45321, 1}, {"", ""}}, {643.4046, 14.619277, "Meta"} -> 
    {{206672, 167131, 168461}, {"", ""}}, {418.3076, 14.641639, "Meta"} -> 
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   {558.4647, 14.630633, "Meta"} -> {{260750, 1, 322522}, {"", ""}}, 
   {587.268, 14.647654, "Meta"} -> {{51001, 69499, 57941}, {"", ""}}, 
   {594.4864, 14.647084, "Meta"} -> {{4024028, 4469755, 1.82*^7}, 
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    {{122275, 221064, 226197}, {"GPCho(16:0/2:0[U]) [ C26 H53 N O8 P, \
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   {463.3662, 14.650472, "Meta"} -> {{509406, 1854846, 842504}, {"", ""}}, 
   {1241.8918, 14.621572, "Meta"} -> {{183578, 130360, 189617}, {"", ""}}, 
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   {477.3818, 14.653285, "Meta"} -> {{151426, 535754, 164650}, {"", ""}}, 
   {284.2714, 14.654392, "Meta"} -> {{1048676, 715796, 163084}, 
     {"Stearic acid [ C18 H36 O2, db=98.08, overall=49.04, KEGG ID=, CAS \
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    {{225723, 299227, 232949}, {"", ""}}, {576.4755, 14.647612, "Meta"} -> 
    {{1215393, 1138611, 1163479}, {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadi\
enoyl)-sn-glycerol [ C36 H64 O5, db=63.86, overall=31.93, KEGG ID=, CAS ID= \
]", ""}}, {404.3652, 14.650456, "Meta"} -> {{70296, 58511, 90540}, 
     {"5beta-Cholestane-3alpha,7alpha-diol [ C27 H48 O2, db=61.38, \
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   {1228.9321, 14.649517, "Meta"} -> {{465588, 428003, 611275}, {"", ""}}, 
   {301.298, 14.656277, "Meta"} -> {{169594, 160125, 42586}, 
     {"Dihydrosphingosine [ C18 H39 N O2, db=96.01, overall=48.00, KEGG \
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    {{55478, 96947, 61948}, {"2,4,6-Heptatrienoic acid, \
5-methyl-7-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-, (2E,4E,6E)- [ C17 H22 \
O3, db=85.11, overall=42.55, KEGG ID=, CAS ID=230976-85-9 ]", 
      "230976-85-9"}}, {504.4172, 14.684583, "Meta"} -> 
    {{121434, 1, 86536}, {"", ""}}, {572.4439, 14.696446, "Meta"} -> 
    {{1, 1, 540842}, {"", ""}}, {420.3589, 14.700999, "Meta"} -> 
    {{69679, 86654, 58636}, {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, \
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   {672.5206, 14.677082, "Meta"} -> {{5612012, 4370647, 632058}, {"", ""}}, 
   {1980.3177, 14.679613, "Meta"} -> {{1, 1, 59344}, {"", ""}}, 
   {339.3138, 14.689998, "Meta"} -> {{956684, 675229, 273192}, {"", ""}}, 
   {322.2869, 14.6890545, "Meta"} -> {{1153005, 574693, 357130}, 
     {"18-methyl-5Z,9Z-eicosadienoic acid [ C21 H38 O2, db=89.79, \
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    {{120175, 256464, 436659}, {"", ""}}, {710.4678, 14.679098, "Meta"} -> 
    {{217235, 159308, 32631}, {"", ""}}, {382.3195, 14.691675, "Meta"} -> 
    {{1, 120846, 83267}, {"", ""}}, {1931.3354, 14.685877, "Meta"} -> 
    {{63386, 62179, 54948}, {"", ""}}, {690.5313, 14.693032, "Meta"} -> 
    {{200082, 131169, 1}, {"", ""}}, {1892.2664, 14.69138, "Meta"} -> 
    {{71862, 46125, 69725}, {"", ""}}, {410.3753, 14.702883, "Meta"} -> 
    {{200336, 116643, 21948}, {"", ""}}, {658.4167, 14.70937, "Meta"} -> 
    {{102982, 79923, 1}, {"", ""}}, {652.4213, 14.713416, "Meta"} -> 
    {{1, 416333, 330011}, {"", ""}}, {316.2608, 14.722626, "Meta"} -> 
    {{827474, 742729, 615958}, {"7,8-dihydroxy stearic acid [ C18 H36 O4, \
db=57.03, overall=28.52, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {618.4829, 14.717896, "Meta"} -> {{1.1*^7, 1.13*^7, 1.39*^7}, {"", ""}}, 
   {464.3117, 14.712481, "Meta"} -> {{1, 16256, 1}, 
     {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic \
acid [ C27 H44 O6, db=72.18, overall=36.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {627.543, 14.723062, "Meta"} -> {{41985, 1, 55094}, {"", ""}}, 
   {298.2502, 14.720165, "Meta"} -> {{2149741, 2274346, 2612918}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=96.33, overall=48.16, \
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    {{906572, 539237, 338062}, {"24-Nor-5beta-cholane-3alpha,7alpha,23-triol \
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   {787.8574, 14.717876, "Meta"} -> {{1, 46431, 36918}, {"", ""}}, 
   {1248.9193, 14.717847, "Meta"} -> {{100189, 83559, 111189}, {"", ""}}, 
   {1214.9626, 14.718625, "Meta"} -> {{55487, 1, 77558}, {"", ""}}, 
   {262.2295, 14.721832, "Meta"} -> {{135414, 136261, 125165}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=86.76, overall=43.38, Lipid \
ID=, KEGG ID= ]", ""}}, {280.2403, 14.721973, "Meta"} -> 
    {{2770580, 3147414, 2388868}, {"13E,17-octadecadienoic acid [ C18 H32 O2, \
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   {641.5592, 14.724205, "Meta"} -> {{96457, 187674, 126003}, {"", ""}}, 
   {1230.9482, 14.721404, "Meta"} -> {{268211, 221061, 325410}, {"", ""}}, 
   {613.5278, 14.712639, "Meta"} -> {{163443, 174637, 1}, {"", ""}}, 
   {895.2569, 14.730208, "Meta"} -> {{38036, 25302, 48432}, {"", ""}}, 
   {878.9283, 14.734208, "Meta"} -> {{34899, 1, 41534}, {"", ""}}, 
   {548.4439, 14.7357, "Meta"} -> {{262846, 294550, 382470}, {"", ""}}, 
   {660.5212, 14.728284, "Meta"} -> {{1555161, 1367315, 219611}, {"", ""}}, 
   {327.314, 14.733674, "Meta"} -> {{59708, 45510, 17835}, 
     {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, db=66.95, overall=33.47, \
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    {{155094, 56530, 32617}, {"trans-gondoic acid [ C20 H38 O2, db=60.53, \
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   {583.4811, 14.737029, "Meta"} -> {{78260, 71368, 56294}, {"", ""}}, 
   {600.472, 14.752064, "Meta"} -> {{408570, 285278, 260542}, 
     {"1-(9Z,12Z-heptadecadienoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero\
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   {716.5471, 14.760383, "Meta"} -> {{551063, 506778, 142792}, {"", ""}}, 
   {389.3293, 14.748772, "Meta"} -> {{548357, 353924, 161340}, 
     {"(-)N-(1R-methyl-2-hydroxy-ethyl) alpha,alpha-dimethylarachidonoyl \
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     {"", ""}}, {574.4596, 14.754307, "Meta"} -> 
    {{3117277, 3179431, 3764013}, {"", ""}}, {242.1877, 14.760484, "Meta"} -> 
    {{36106, 39743, 19105}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
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   {556.4492, 14.754058, "Meta"} -> {{372269, 281125, 262475}, {"", ""}}, 
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   {444.36, 14.769503, "Meta"} -> {{476136, 421804, 117450}, 
     {"1alpha,25-dihydroxy-26,27-dimethylvitamin D3 / \
1alpha,25-dihydroxy-26,27-dimethylcholecalciferol [ C29 H48 O3, db=93.15, \
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     {"1alpha-hydroxy-24-methylvitamin D2 / \
1alpha-hydroxy-24-methylergocalciferol [ C29 H46 O2, db=63.34, overall=31.67, \
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    {{1119268, 1070371, 125464}, {"", ""}}, {630.3825, 14.770709, "Meta"} -> 
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    {{1148631, 970134, 161493}, {"", ""}}, {298.2872, 14.814419, "Meta"} -> 
    {{1.1*^7, 2186543, 4713491}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
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   {315.3136, 14.814669, "Meta"} -> {{3307999, 1820936, 1100390}, {"", ""}}, 
   {412.2589, 14.804344, "Meta"} -> {{1, 405860, 409117}, {"", ""}}, 
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   {1309.0577, 14.831959, "Meta"} -> {{52622, 1, 19546}, {"", ""}}, 
   {1010.7714, 14.841031, "Meta"} -> {{245254, 169685, 110200}, {"", ""}}, 
   {861.6182, 14.853371, "Meta"} -> {{296534, 191741, 127000}, 
     {"Galabiosylceramide (d18:1/16:0) [ C46 H87 N O13, db=96.56, \
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   {339.3499, 14.845642, "Meta"} -> {{164186, 76088, 54583}, 
     {"Docosanamide [ C22 H45 N O, db=95.67, overall=47.83, HMP ID=HMDB00583, \
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    {{411840, 1, 373836}, {"", ""}}, {656.5257, 14.851055, "Meta"} -> 
    {{125601, 71111, 49622}, {"", ""}}, {1246.9775, 14.836859, "Meta"} -> 
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    {{189325, 129805, 119148}, {"", ""}}, {674.5367, 14.847863, "Meta"} -> 
    {{4.8*^7, 4.1*^7, 7816666}, {"", ""}}, {790.4836, 14.8502035, "Meta"} -> 
    {{77776, 53609, 115892}, {"Bis-[2-lyso-3-arachidonoyl-sn-glycerol]-1-phos\
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     {"", ""}}, {712.4837, 14.8548, "Meta"} -> {{1, 621282, 398312}, 
     {"", ""}}, {772.5084, 14.853306, "Meta"} -> {{315493, 288270, 238147}, 
     {"", ""}}, {468.3215, 14.851771, "Meta"} -> {{90466, 33830, 296137}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
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    {{103784, 1, 30819}, {"", ""}}, {341.3288, 14.878036, "Meta"} -> 
    {{121120, 1, 1}, {"", ""}}, {324.3027, 14.878835, "Meta"} -> 
    {{172874, 15092, 130813}, {"2-propyl-9Z-octadecenoic Acid [ C21 H40 O2, \
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   {365.3654, 14.881139, "Meta"} -> {{279291, 38803, 99196}, {"", ""}}, 
   {424.3554, 14.882167, "Meta"} -> {{3435809, 1.7*^8, 2902441}, {"", ""}}, 
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   {658.2433, 14.953439, "Meta"} -> {{18221, 1, 1}, {"", ""}}, 
   {720.5765, 14.894582, "Meta"} -> {{147284, 138002, 62998}, {"", ""}}, 
   {351.3499, 14.902113, "Meta"} -> {{182846, 128739, 137755}, {"", ""}}, 
   {1413.0363, 14.894115, "Meta"} -> {{243888, 173317, 102602}, {"", ""}}, 
   {1296.9957, 14.909416, "Meta"} -> {{87366, 1, 1}, {"", ""}}, 
   {1299.0092, 14.927766, "Meta"} -> {{804369, 236969, 640522}, {"", ""}}, 
   {1454.0242, 14.914153, "Meta"} -> {{1, 155191, 98393}, {"", ""}}, 
   {756.4732, 14.915776, "Meta"} -> {{342309, 259224, 179191}, {"", ""}}, 
   {722.5224, 14.915698, "Meta"} -> {{99112, 81520, 52590}, {"", ""}}, 
   {1252.9672, 14.923705, "Meta"} -> {{77818, 26204, 1}, {"", ""}}, 
   {700.5531, 14.915303, "Meta"} -> {{6.45*^7, 5.68*^7, 1.62*^7}, {"", ""}}, 
   {798.5251, 14.918499, "Meta"} -> {{340312, 307482, 322889}, {"", ""}}, 
   {869.5117, 14.918613, "Meta"} -> {{146799, 144861, 77554}, {"", ""}}, 
   {1457.028, 14.91376, "Meta"} -> {{1, 200861, 116473}, {"", ""}}, 
   {682.5412, 14.914805, "Meta"} -> {{105312, 63277, 56884}, {"", ""}}, 
   {813.4938, 14.918886, "Meta"} -> {{124673, 94052, 114264}, {"", ""}}, 
   {718.562, 14.911038, "Meta"} -> {{114758, 144790, 1}, {"", ""}}, 
   {753.4737, 14.916138, "Meta"} -> {{173403, 165393, 102720}, {"", ""}}, 
   {914.7343, 14.930177, "Meta"} -> {{84665, 1, 43472}, 
     {"TG(17:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] [ C60 H98 \
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   {428.3655, 14.930514, "Meta"} -> {{2035062, 506820, 660467}, 
     {"25-hydroxy-26,27-dimethylvitamin D3 / \
25-hydroxy-26,27-dimethylcholecalciferol [ C29 H48 O2, db=98.81, \
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   {858.6343, 14.935901, "Meta"} -> {{27156, 1, 37105}, {"", ""}}, 
   {491.4338, 14.930941, "Meta"} -> {{135226, 1, 28313}, {"", ""}}, 
   {468.3579, 14.935543, "Meta"} -> {{765045, 250565, 592598}, 
     {"1alpha,25-dihydroxy-26,27-dimethyl-22,22,23,23-tetradehydro-24a,24b-di\
homovitamin D3 / 1alpha,25-dih [ C31 H48 O3, db=81.00, overall=40.50, Lipid \
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    {{65322, 1, 1}, {"", ""}}, {576.4755, 14.971321, "Meta"} -> 
    {{531533, 448008, 435024}, {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadieno\
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   {1287.0085, 14.963088, "Meta"} -> {{382313, 1, 133483}, {"", ""}}, 
   {747.6484, 14.962824, "Meta"} -> {{43454, 17831, 155433}, {"", ""}}, 
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   {744.4723, 14.964235, "Meta"} -> {{94356, 134057, 44064}, {"", ""}}, 
   {688.5515, 14.964059, "Meta"} -> {{1.58*^7, 1.58*^7, 3865944}, 
     {"Etn-1-P-Cer(d14:1/18:0) [ C38 H77 N2 O6 P, db=98.24, overall=49.12, \
Lipid ID=LMSP03020001, KEGG ID= ]", ""}}, {726.4995, 14.96664, "Meta"} -> 
    {{278441, 379915, 168949}, {"", ""}}, {509.4806, 14.9780655, "Meta"} -> 
    {{60715, 32549, 9806}, {"Cer(d18:1/14:0) [ C32 H63 N O3, db=92.56, \
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   {430.1711, 14.9816675, "Meta"} -> {{72026, 50820, 176207}, {"", ""}}, 
   {430.3446, 14.98436, "Meta"} -> {{764572, 542585, 427652}, 
     {"2beta-methyl-1alpha,25-dihydroxyvitamin D_3 / \
2beta-methyl-1alpha,25-dihydroxycholecalciferol [ C28 H46 O3, db=95.57, \
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   {500.3479, 14.986893, "Meta"} -> {{1, 33664, 40687}, {"", ""}}, 
   {415.3571, 14.983973, "Meta"} -> {{1735456, 1160958, 394697}, {"", ""}}, 
   {529.303, 14.984667, "Meta"} -> {{1, 12374, 14626}, {"", ""}}, 
   {415.3084, 14.981182, "Meta"} -> {{41282, 26833, 176868}, {"", ""}}, 
   {848.9196, 14.9934225, "Meta"} -> {{41943, 33993, 53336}, {"", ""}}, 
   {726.5681, 14.998588, "Meta"} -> {{4831915, 4942343, 1274976}, {"", ""}}, 
   {764.5152, 14.999655, "Meta"} -> {{246078, 146635, 116482}, {"", ""}}, 
   {444.3601, 15.005182, "Meta"} -> {{138701, 100679, 88405}, 
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    {{1873608, 1530267, 477876}, {"", ""}}, {578.5272, 15.79175, "Meta"} -> 
    {{451962, 1201585, 196765}, {"", ""}}, {646.4517, 15.798346, "Meta"} -> 
    {{17920, 22353, 22251}, {"GPA(14:0/18:1(9Z)) [ C35 H67 O8 P, db=53.75, \
overall=26.87, Lipid ID=LMGP10010019, KEGG ID= ]", ""}}, 
   {629.6106, 15.80247, "Meta"} -> {{97852, 84875, 28181}, {"", ""}}, 
   {647.6218, 15.803638, "Meta"} -> {{586123, 471401, 219943}, 
     {"Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, db=94.85, overall=47.43, \
HMP ID=HMDB04953, KEGG ID= ]", ""}}, {618.52, 15.807126, "Meta"} -> 
    {{807081, 1, 541311}, {"1-octadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn\
-glycerol [ C39 H70 O5, db=91.14, overall=45.57, KEGG ID=, CAS ID= ]", ""}}, 
   {800.6776, 15.794722, "Meta"} -> {{2728792, 2108033, 588331}, {"", ""}}, 
   {613.5643, 15.813304, "Meta"} -> {{686921, 2073413, 278757}, {"", ""}}, 
   {720.5875, 15.822541, "Meta"} -> {{91369, 1, 74050}, 
     {"GPCho(O-16:0/16:0) [ C40 H83 N O7 P, db=74.12, overall=37.06, Lipid \
ID=LMGP01020029, KEGG ID= ]", ""}}, {863.6402, 15.794833, "Meta"} -> 
    {{419001, 480020, 83618}, {"", ""}}, {661.637, 15.824202, "Meta"} -> 
    {{70626, 58454, 1}, {"", ""}}, {813.6251, 15.798603, "Meta"} -> 
    {{4627280, 5187088, 457993}, {"", ""}}, {847.6456, 15.813998, "Meta"} -> 
    {{3439763, 2882124, 752380}, {"", ""}}, {551.4249, 15.827079, "Meta"} -> 
    {{31269, 20776, 1}, {"", ""}}, {797.6297, 15.801678, "Meta"} -> 
    {{3174389, 2462861, 443716}, {"", ""}}, {661.4929, 15.831914, "Meta"} -> 
    {{64077, 61522, 125884}, {"", ""}}, {605.6104, 15.850416, "Meta"} -> 
    {{282171, 175715, 32838}, {"", ""}}, {834.2323, 15.869839, "Meta"} -> 
    {{1, 1, 51827}, {"", ""}}, {831.2332, 15.870869, "Meta"} -> 
    {{163459, 1, 152446}, {"", ""}}, {627.5816, 15.898941, "Meta"} -> 
    {{70641, 335222, 57922}, {"", ""}}, {631.6267, 15.875499, "Meta"} -> 
    {{327409, 270828, 93215}, {"", ""}}, {592.5431, 15.88767, "Meta"} -> 
    {{58478, 154818, 21527}, {"", ""}}, {801.6253, 15.848322, "Meta"} -> 
    {{473864, 471106, 48958}, {"GPEtn(22:1(13Z)/18:0)[U] [ C45 H88 N O8 P, \
db=86.54, overall=43.27, Lipid ID=LMGP02010033, KEGG ID= ]", ""}}, 
   {632.5355, 15.902878, "Meta"} -> {{108239, 287444, 79988}, 
     {"1-(9Z-heptadecenoyl)-2-(11Z,14Z-eicosadienoyl)-sn-glycerol [ C40 H72 \
O5, db=87.97, overall=43.98, KEGG ID=, CAS ID= ]", ""}}, 
   {839.6394, 15.8606, "Meta"} -> {{203146, 488450, 1}, {"", ""}}, 
   {814.6932, 15.912194, "Meta"} -> {{6017035, 4463283, 1059726}, {"", ""}}, 
   {852.6397, 15.911029, "Meta"} -> {{233256, 182647, 64856}, {"", ""}}, 
   {773.63, 15.906822, "Meta"} -> {{1764193, 1436338, 1}, {"", ""}}, 
   {823.6456, 15.917723, "Meta"} -> {{5450129, 4408196, 916003}, {"", ""}}, 
   {649.6372, 15.946309, "Meta"} -> {{514425, 354120, 122798}, 
     {"N-Lignoceroylsphingosine [ C42 H83 N O3, db=98.89, overall=49.44, HMP \
ID=HMDB00831, KEGG ID= ]", ""}}, {861.593, 15.911041, "Meta"} -> 
    {{129091, 101332, 1}, {"", ""}}, {849.6617, 15.960544, "Meta"} -> 
    {{6227693, 6541159, 984502}, {"", ""}}, {606.5589, 16.002474, "Meta"} -> 
    {{1048668, 2592028, 287370}, {"", ""}}, {887.608, 15.950258, "Meta"} -> 
    {{243549, 122493, 1}, {"", ""}}, {646.5512, 16.021963, "Meta"} -> 
    {{2208506, 5521496, 1100528}, {"1-(9Z-octadecenoyl)-2-(11Z,14Z-eicosadien\
oyl)-sn-glycerol [ C41 H74 O5, db=90.48, overall=45.24, KEGG ID=, CAS ID= ]", 
      ""}}, {669.6274, 16.021229, "Meta"} -> {{205542, 716690, 54342}, 
     {"", ""}}, {663.653, 16.021738, "Meta"} -> {{86944, 62294, 13390}, 
     {"Ceramide (d18:1/25:0) [ C43 H85 N O3, db=93.46, overall=46.73, HMP \
ID=HMDB04957, KEGG ID= ]", ""}}, {580.3012, 15.999072, "Meta"} -> 
    {{123444, 96422, 1}, {"", ""}}, {641.5965, 16.03561, "Meta"} -> 
    {{1564951, 4499181, 398913}, {"", ""}}, {633.6424, 16.0732, "Meta"} -> 
    {{346464, 375564, 77326}, {"", ""}}, {875.6776, 16.05178, "Meta"} -> 
    {{7005562, 4783157, 605786}, {"", ""}}, {877.6932, 16.229668, "Meta"} -> 
    {{8608565, 8225570, 660613}, {"", ""}}, {903.7076, 16.322107, "Meta"} -> 
    {{1752601, 1498392, 119661}, {"", ""}}, {958.9559, 0.36646155, "Meta"} -> 
    {{36004, 1, 30257}, {"", ""}}, {2422.0625, 0.37100002, "Meta"} -> 
    {{28231, 1, 1}, {"", ""}}, {1742.01, 0.37975758, "Meta"} -> 
    {{39195, 39289, 32263}, {"", ""}}, {1578.0028, 0.38074994, "Meta"} -> 
    {{48027, 42587, 1}, {"", ""}}, {1988.023, 0.37995836, "Meta"} -> 
    {{27005, 27038, 1}, {"", ""}}, {1824.0161, 0.38057694, "Meta"} -> 
    {{33371, 37008, 1}, {"", ""}}, {547.9159, 0.39203572, "Meta"} -> 
    {{139775, 144320, 141441}, {"", ""}}, {721.7918, 0.40096295, "Meta"} -> 
    {{62761, 20658, 59616}, {"", ""}}, {557.7853, 0.40799993, "Meta"} -> 
    {{146053, 149315, 146507}, {"", ""}}, {791.6165, 0.41215378, "Meta"} -> 
    {{36198, 18166, 34540}, {"", ""}}, {633.7165, 0.41170967, "Meta"} -> 
    {{1, 26140, 35550}, {"", ""}}, {252.1202, 0.45106667, "Meta"} -> 
    {{78625, 1, 68484}, 
     {"Pro His [ C11 H16 N4 O3, db=76.47, overall=38.23 ]", ""}}, 
   {246.1942, 0.46209374, "Meta"} -> {{24042, 24266, 27665}, {"", ""}}, 
   {278.1842, 0.46203128, "Meta"} -> {{64895, 61132, 76714}, {"", ""}}, 
   {304.1997, 0.46772003, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {218.1628, 0.46839395, "Meta"} -> {{159734, 156724, 159540}, {"", ""}}, 
   {274.1643, 0.46503848, "Meta"} -> {{1, 1, 1}, 
     {"Ala Gly Lys [ C11 H22 N4 O4, db=47.47, overall=23.74 ]", ""}}, 
   {380.0201, 0.5091111, "Meta"} -> {{117402, 68447, 89851}, {"", ""}}, 
   {352.0515, 0.53367996, "Meta"} -> {{73824, 67609, 75050}, {"", ""}}, 
   {135.068, 0.55345714, "Meta"} -> {{188323, 162129, 169342}, 
     {"2-Phenylacetamide [ C8 H9 N O, db=85.97, overall=42.98, KEGG \
ID=C02505, CAS ID=103-81-1 ]", "103-81-1"}}, {281.1835, 0.605074, "Meta"} -> 
    {{112830, 100620, 1}, {"", ""}}, {115.0629, 0.69411117, "Meta"} -> 
    {{354643, 213328, 86705}, {"Proline [ C5 H9 N O2, db=79.13, \
overall=39.57, KEGG ID=C00148, CAS ID=147-85-3 ]", "147-85-3"}}, 
   {131.0587, 0.6995, "Meta"} -> {{144486, 118231, 83327}, 
     {"Trans-4-Hydroxy-L-proline [ C5 H9 N O3, db=60.12, overall=30.06, KEGG \
ID=, CAS ID=51-35-4 ]", "51-35-4"}}, {526.0667, 0.66112, "Meta"} -> 
    {{1, 21340, 1}, {"", ""}}, {380.0206, 0.6642414, "Meta"} -> 
    {{322671, 231734, 260772}, {"", ""}}, {306.0645, 0.74877775, "Meta"} -> 
    {{82715, 78955, 76487}, {"", ""}}, {382.1085, 0.74347997, "Meta"} -> 
    {{62877, 84377, 60401}, {"", ""}}, {345.1429, 0.8536799, "Meta"} -> 
    {{52146, 42632, 1}, {"", ""}}, {138.0291, 0.95441395, "Meta"} -> 
    {{69222, 38505, 50654}, {"", ""}}, {172.0702, 0.99353826, "Meta"} -> 
    {{2.45*^7, 2.2*^7, 2.18*^7}, {"", ""}}, {167.1155, 1.0165, "Meta"} -> 
    {{472783, 577266, 1}, {"", ""}}, {374.102, 1.0232002, "Meta"} -> 
    {{65310, 77883, 63692}, {"", ""}}, {143.0731, 1.2776923, "Meta"} -> 
    {{338414, 321908, 301984}, {"", ""}}, {145.0524, 1.2775834, "Meta"} -> 
    {{1, 1, 1}, {"Isoquinoline N-oxide [ C9 H7 N O, db=90.43, overall=45.21, \
KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, {219.1104, 1.44356, "Meta"} -> 
    {{31049, 36127, 40644}, {"Pantothenic Acid [ C9 H17 N O5, db=54.47, \
overall=27.23, KEGG ID=, CAS ID=137-08-6 ]", "137-08-6"}}, 
   {309.1688, 3.743654, "Meta"} -> {{27911, 31387, 44234}, 
     {"Pro Pro Pro [ C15 H23 N3 O4, db=83.74, overall=41.87 ]", ""}}, 
   {579.254, 6.318081, "Meta"} -> {{1, 1, 14117}, {"2-[[(3a,5b,7b)-7-hydroxy-\
24-oxo-3-(sulfooxy)cholan-24-yl]amino]-Ethanesulfonic acid [ C26 H45 N O9 S2, \
db=83.71, overall=41.85, HMP ID=HMDB02449, KEGG ID= ]", ""}}, 
   {419.4932, 6.474, "Meta"} -> {{15706, 15603, 1}, {"", ""}}, 
   {723.3073, 6.4805007, "Meta"} -> {{33269, 34286, 1}, {"", ""}}, 
   {420.8636, 6.645, "Meta"} -> {{83004, 61498, 68108}, {"", ""}}, 
   {414.1035, 7.120406, "Meta"} -> {{30825, 33598, 31676}, {"", ""}}, 
   {1517.675, 7.538903, "Meta"} -> {{61136, 50845, 64458}, {"", ""}}, 
   {1106.4865, 7.75332, "Meta"} -> {{1, 28638, 43774}, {"", ""}}, 
   {427.849, 7.8510604, "Meta"} -> {{75574, 1, 70951}, {"", ""}}, 
   {239.9882, 8.1396, "Meta"} -> {{1, 72119, 1}, {"", ""}}, 
   {313.2252, 8.670879, "Meta"} -> {{82509, 1, 73058}, {"", ""}}, 
   {465.1866, 8.675655, "Meta"} -> {{95563, 56749, 80657}, 
     {"Biotripyrrin-b [ C25 H27 N3 O6, db=43.66, overall=21.83, HMP \
ID=HMDB03324, KEGG ID= ]", ""}}, {602.3041, 9.497844, "Meta"} -> 
    {{15599, 1, 17466}, {"", ""}}, {559.2988, 9.497002, "Meta"} -> 
    {{18674, 15419, 21430}, {"", ""}}, {263.127, 9.515958, "Meta"} -> 
    {{1, 46495, 54669}, {"", ""}}, {420.2259, 9.685075, "Meta"} -> 
    {{47445, 33989, 39979}, 
     {"His His Lys [ C18 H28 N8 O4, db=54.50, overall=27.25 ]", ""}}, 
   {240.1338, 9.749299, "Meta"} -> {{1, 36851, 1}, {"", ""}}, 
   {176.0454, 9.963879, "Meta"} -> {{42358, 38864, 52373}, {"", ""}}, 
   {533.1125, 10.0555, "Meta"} -> {{1, 102913, 95368}, 
     {"Indomethacin glucuronide [ C25 H24 Cl N O10, db=40.58, overall=20.29, \
KEGG ID=, CAS ID=75523-11-4 ]", "75523-11-4"}}, 
   {593.1437, 10.055286, "Meta"} -> {{86666, 88013, 72961}, {"", ""}}, 
   {536.1192, 10.055125, "Meta"} -> {{1, 47579, 47960}, {"", ""}}, 
   {335.1544, 10.10977, "Meta"} -> {{30994, 26814, 29200}, 
     {"Cys Leu Thr [ C13 H25 N3 O5 S, db=37.55, overall=18.77 ]", ""}}, 
   {630.2684, 10.324069, "Meta"} -> {{56399, 29224, 46808}, {"", ""}}, 
   {219.129, 10.36744, "Meta"} -> {{1, 58129, 109733}, {"", ""}}, 
   {250.1198, 10.418655, "Meta"} -> {{25703, 17400, 17354}, 
     {"Ubiquinone [ C14 H18 O4, db=60.72, overall=30.36, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {302.184, 10.730654, "Meta"} -> 
    {{100368, 81445, 88958}, {"", ""}}, {323.228, 10.9723625, "Meta"} -> 
    {{811654, 834179, 1}, {"", ""}}, {171.162, 11.016933, "Meta"} -> 
    {{20780, 1, 1}, {"", ""}}, {564.3483, 11.143167, "Meta"} -> 
    {{67185, 55823, 1}, {"", ""}}, {273.0832, 11.159881, "Meta"} -> 
    {{35872, 34295, 46600}, {"", ""}}, {503.2805, 11.289723, "Meta"} -> 
    {{23902, 27233, 21125}, {"", ""}}, {396.1934, 11.289607, "Meta"} -> 
    {{48443, 36758, 30712}, {"Pregnenolone sulfate [ C21 H32 O5 S, db=58.26, \
overall=29.13, HMP ID=HMDB00774, KEGG ID= ]", ""}}, 
   {475.2532, 11.290502, "Meta"} -> {{67777, 61656, 63908}, {"", ""}}, 
   {632.2486, 11.370108, "Meta"} -> {{1, 135030, 105965}, {"", ""}}, 
   {580.226, 11.39536, "Meta"} -> {{31345, 25653, 28964}, {"", ""}}, 
   {456.167, 11.397059, "Meta"} -> {{38306, 38330, 37919}, {"", ""}}, 
   {395.3032, 11.612541, "Meta"} -> {{144289, 157237, 51378}, {"", ""}}, 
   {360.3347, 11.940929, "Meta"} -> {{1, 20166, 19956}, {"", ""}}, 
   {171.1081, 11.943874, "Meta"} -> {{384643, 519763, 1}, {"", ""}}, 
   {396.2831, 12.028556, "Meta"} -> {{260579, 48686, 168501}, {"", ""}}, 
   {313.2616, 12.047375, "Meta"} -> {{245097, 236911, 316920}, {"", ""}}, 
   {842.5207, 12.128361, "Meta"} -> {{42967, 36668, 38930}, 
     {"Spiramycin 1 [ C43 H74 N2 O14, db=60.72, overall=30.36, KEGG \
ID=C01754, CAS ID=24916-50-5 ]", "24916-50-5"}}, 
   {604.1137, 12.167592, "Meta"} -> {{35479, 36066, 12553}, {"", ""}}, 
   {381.9989, 12.185469, "Meta"} -> {{23198, 33739, 1}, {"", ""}}, 
   {572.2186, 12.2466, "Meta"} -> {{19598, 19298, 1}, {"", ""}}, 
   {396.1641, 12.277833, "Meta"} -> {{33999, 94175, 96583}, 
     {"Asn Tyr Thr [ C17 H24 N4 O7, db=61.81, overall=30.90 ]", ""}}, 
   {254.0726, 12.292558, "Meta"} -> {{52825, 47700, 1}, 
     {"Acetaminophen-cysteine [ C11 H14 N2 O3 S, db=76.73, overall=38.36, \
KEGG ID=, CAS ID=64014-06-8 ]", "64014-06-8"}}, 
   {322.1171, 12.32875, "Meta"} -> {{24059, 12502, 59352}, {"", ""}}, 
   {614.4236, 12.339584, "Meta"} -> {{112025, 89985, 99983}, {"", ""}}, 
   {323.2098, 12.388596, "Meta"} -> {{30528, 101504, 85732}, 
     {"Betaxolol(hydroxylation) [ C18 H29 N O4, db=71.49, overall=35.74, KEGG \
ID=, CAS ID=87549-35-7 ]", "87549-35-7"}}, {618.251, 12.430832, "Meta"} -> 
    {{48167, 41099, 43062}, {"", ""}}, {438.3565, 12.462166, "Meta"} -> 
    {{30676, 25203, 1}, {"", ""}}, {724.4581, 12.46508, "Meta"} -> 
    {{56716, 42685, 46997}, {"", ""}}, {336.228, 12.510321, "Meta"} -> 
    {{99696, 1, 81803}, {"15-epi-PGA1 [ C20 H32 O4, db=70.01, overall=35.01, \
Lipid ID=LMFA03010047, KEGG ID= ]", ""}}, {431.3032, 12.516041, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {339.2776, 12.558571, "Meta"} -> 
    {{60141, 1, 61191}, {"", ""}}, {359.2849, 12.620791, "Meta"} -> 
    {{183114, 129923, 1}, {"", ""}}, {1120.5815, 12.721594, "Meta"} -> 
    {{457760, 1, 42770}, {"", ""}}, {360.0762, 12.647442, "Meta"} -> 
    {{1, 23099, 1}, {"", ""}}, {870.5521, 12.68296, "Meta"} -> 
    {{53970, 43173, 1}, {"", ""}}, {594.374, 12.7149315, "Meta"} -> 
    {{70133, 71068, 61310}, {"7,8-Didehydroastaxanthin [ C40 H50 O4, \
db=74.93, overall=37.46, Lipid ID=LMPR01070051, KEGG ID= ]", ""}}, 
   {909.6228, 12.728479, "Meta"} -> {{36140, 30092, 1}, {"", ""}}, 
   {372.2657, 12.741412, "Meta"} -> {{32089, 23073, 25286}, 
     {"(22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid [ C24 H36 O3, db=63.76, \
overall=31.88, Lipid ID=, KEGG ID= ]", ""}}, {354.3241, 12.753935, "Meta"} -> 
    {{34076, 35382, 38794}, {"", ""}}, {633.4446, 12.767465, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {638.4002, 12.7673855, "Meta"} -> 
    {{44934, 42384, 37331}, {"", ""}}, {546.238, 12.80944, "Meta"} -> 
    {{58293, 1, 1}, {"", ""}}, {430.2145, 12.858498, "Meta"} -> 
    {{38073, 39757, 71044}, {"", ""}}, {381.2643, 12.864834, "Meta"} -> 
    {{95028, 94459, 72688}, {"Sphinganine 1-phosphate [ C18 H40 N O5 P, \
db=61.19, overall=30.59, KEGG ID=C01120, CAS ID=19794-97-9 ]", 
      "19794-97-9"}}, {598.4292, 12.9028635, "Meta"} -> 
    {{92634, 475994, 541958}, {"", ""}}, {914.5791, 12.90653, "Meta"} -> 
    {{51784, 44870, 1}, {"", ""}}, {909.6228, 12.903775, "Meta"} -> 
    {{51842, 45028, 33397}, {"", ""}}, {262.1504, 12.906483, "Meta"} -> 
    {{28743, 35355, 22893}, {"", ""}}, {1613.9202, 12.9604435, "Meta"} -> 
    {{47707, 1, 1}, {"", ""}}, {519.8025, 12.93093, "Meta"} -> 
    {{1, 47316, 14008}, {"", ""}}, {982.6032, 12.922208, "Meta"} -> 
    {{37059, 23707, 1}, {"", ""}}, {1024.6497, 12.9421835, "Meta"} -> 
    {{507492, 334560, 23499}, {"", ""}}, {1148.6115, 12.963801, "Meta"} -> 
    {{82188, 57335, 1}, {"", ""}}, {507.3326, 12.98204, "Meta"} -> 
    {{92824, 91709, 1}, {"", ""}}, {1559.8555, 12.970627, "Meta"} -> 
    {{1, 16030, 1}, {"", ""}}, {1042.6005, 12.993199, "Meta"} -> 
    {{137404, 137514, 1}, {"", ""}}, {1037.118, 13.003001, "Meta"} -> 
    {{29116, 1, 10883}, {"", ""}}, {427.3661, 13.001041, "Meta"} -> 
    {{174516, 250288, 1}, {"Stearoylcarnitine [ C25 H49 N O4, db=99.56, \
overall=49.78, HMP ID=HMDB00848, KEGG ID= ]", ""}}, 
   {1065.1241, 13.043728, "Meta"} -> {{135281, 145112, 168514}, {"", ""}}, 
   {3153.9402, 13.013799, "Meta"} -> {{139537, 23173, 134250}, {"", ""}}, 
   {1062.6643, 13.043032, "Meta"} -> {{3.91*^7, 230057, 34531}, {"", ""}}, 
   {1691.9418, 13.075117, "Meta"} -> {{52392, 58284, 20118}, {"", ""}}, 
   {1124.6125, 13.074121, "Meta"} -> {{431027, 1, 370196}, {"", ""}}, 
   {840.5426, 13.075176, "Meta"} -> {{208044, 172381, 253267}, {"", ""}}, 
   {1610.915, 13.078408, "Meta"} -> {{119988, 1, 169973}, {"", ""}}, 
   {183.0655, 13.115752, "Meta"} -> {{166808, 180053, 1}, {"", ""}}, 
   {2538.609, 13.147432, "Meta"} -> {{47057, 58876, 56250}, {"", ""}}, 
   {2562.6084, 13.136644, "Meta"} -> {{198666, 127499, 1}, {"", ""}}, 
   {545.2796, 13.128334, "Meta"} -> {{24754, 1, 1}, {"", ""}}, 
   {1553.9612, 13.132172, "Meta"} -> {{124803, 110418, 32452}, {"", ""}}, 
   {569.3479, 13.150904, "Meta"} -> {{1915329, 1, 1}, {"", ""}}, 
   {1354.8588, 13.150917, "Meta"} -> {{28891, 39279, 1}, {"", ""}}, 
   {1645.9559, 13.165126, "Meta"} -> {{88493, 59170, 1}, {"", ""}}, 
   {559.2929, 13.138584, "Meta"} -> {{91082, 1, 115778}, {"", ""}}, 
   {384.2382, 13.160249, "Meta"} -> {{17762, 28365, 1}, {"", ""}}, 
   {883.525, 13.1601515, "Meta"} -> {{65694, 91127, 1}, {"", ""}}, 
   {319.2722, 13.161035, "Meta"} -> {{152323, 582038, 1}, {"", ""}}, 
   {662.3214, 13.161371, "Meta"} -> {{10844, 27245, 1}, {"", ""}}, 
   {643.322, 13.174154, "Meta"} -> {{1, 20659, 23282}, {"", ""}}, 
   {583.2961, 13.172579, "Meta"} -> {{153286, 103091, 65422}, {"", ""}}, 
   {1505.898, 13.17625, "Meta"} -> {{25429, 21140, 1}, {"", ""}}, 
   {970.6001, 13.182221, "Meta"} -> {{472782, 390528, 1}, {"", ""}}, 
   {3039.9446, 13.20112, "Meta"} -> {{1, 61230, 1}, {"", ""}}, 
   {2967.8972, 13.195209, "Meta"} -> {{34524, 36766, 1}, {"", ""}}, 
   {2498.639, 13.222151, "Meta"} -> {{383343, 495340, 442284}, {"", ""}}, 
   {1512.0118, 13.256168, "Meta"} -> {{274797, 255592, 1}, {"", ""}}, 
   {788.5499, 13.282076, "Meta"} -> {{55072, 1, 695028}, {"", ""}}, 
   {1557.9952, 13.283399, "Meta"} -> {{355862, 338555, 160437}, {"", ""}}, 
   {2664.6548, 13.3012495, "Meta"} -> {{1, 201103, 1}, {"", ""}}, 
   {1558.4962, 13.295667, "Meta"} -> {{1, 61739, 1}, {"", ""}}, 
   {1152.6416, 13.311076, "Meta"} -> {{71691, 1, 69348}, {"", ""}}, 
   {861.5413, 13.332082, "Meta"} -> {{21203, 19555, 1}, {"", ""}}, 
   {400.2826, 13.33677, "Meta"} -> {{33055, 63493, 1}, 
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   {920.6287, 13.335076, "Meta"} -> {{460581, 339594, 1}, {"", ""}}, 
   {426.2297, 13.336428, "Meta"} -> {{13762, 14314, 1}, 
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    {{1, 55551, 83355}, {"", ""}}, {424.259, 13.54431, "Meta"} -> 
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   {1002.7006, 13.568126, "Meta"} -> {{379221, 219669, 1}, {"", ""}}, 
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   {330.2768, 13.61125, "Meta"} -> {{3151399, 2243907, 637865}, 
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     {"Thr Met Arg [ C15 H30 N6 O5 S, db=36.71, overall=18.35 ]", ""}}, 
   {370.2482, 13.64018, "Meta"} -> {{112945, 129885, 1}, 
     {"(20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid [ C24 H34 O3, \
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   {404.2562, 13.6432905, "Meta"} -> {{28760, 36313, 49322}, 
     {"3alpha-Hydroxy-1,7-dioxo-5beta-cholan-24-oic Acid [ C24 H36 O5, \
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   {286.2291, 13.665809, "Meta"} -> {{60291, 40513, 1}, 
     {"11-cis-Retinol [ C20 H30 O, db=65.17, overall=32.58, Lipid \
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    {{180416, 91267, 48361}, {"", ""}}, {545.8475, 13.691209, "Meta"} -> 
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    {{128900, 338599, 490477}, {"", ""}}, {325.2975, 13.681, "Meta"} -> 
    {{47202, 45024, 1}, {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, \
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   {701.5288, 13.692271, "Meta"} -> {{127978, 132788, 152577}, {"", ""}}, 
   {1372.908, 13.695891, "Meta"} -> {{94147, 114581, 12479}, {"", ""}}, 
   {1523.95, 13.699626, "Meta"} -> {{62410, 43674, 1}, {"", ""}}, 
   {1004.6844, 13.699296, "Meta"} -> {{710958, 1, 36902}, {"", ""}}, 
   {1000.5864, 13.70054, "Meta"} -> {{22501, 1, 1}, {"", ""}}, 
   {410.2824, 13.69748, "Meta"} -> {{125647, 35030, 1}, 
     {"24,25-epoxy-1alpha-hydroxy-22,22,23,23-tetradehydrovitamin D3 / \
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    {{222587, 288713, 1}, {"", ""}}, {452.2117, 13.705769, "Meta"} -> 
    {{42773, 65176, 1}, {"2H-Indol-2-one, \
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    {{40062, 40393, 1}, {"", ""}}, {1343.0792, 13.708042, "Meta"} -> 
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     {"7-hydroxy-5-heptynoic acid [ C7 H10 O3, db=77.60, overall=38.80, Lipid \
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    {{242869, 287706, 54727}, {"", ""}}, {948.6602, 13.717423, "Meta"} -> 
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    {{1, 1, 30815}, {"", ""}}, {246.2344, 13.829058, "Meta"} -> 
    {{16307, 22865, 22205}, {"Dodecylbenzene [ C18 H30, db=83.32, \
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   {464.3502, 13.801808, "Meta"} -> {{53862, 63252, 77534}, 
     {"Trihydroxycoprostanoic acid [ C28 H48 O5, db=58.21, overall=29.10, HMP \
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    {{114090, 84864, 1}, {"", ""}}, {1692.0865, 13.839601, "Meta"} -> 
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    {{65625, 85091, 25376}, {"", ""}}, {286.2509, 13.846881, "Meta"} -> 
    {{792845, 737992, 1}, {"2-hydroxy-heptadecanoic acid [ C17 H34 O3, \
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   {444.2414, 13.852252, "Meta"} -> {{23403, 22031, 1}, {"", ""}}, 
   {696.2766, 13.87254, "Meta"} -> {{66183, 1, 72865}, {"", ""}}, 
   {332.1373, 13.873767, "Meta"} -> {{58230, 45463, 37300}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=37.37, \
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   {553.2424, 13.875352, "Meta"} -> {{200169, 178052, 182210}, {"", ""}}, 
   {940.4012, 13.875486, "Meta"} -> {{151060, 117547, 116776}, {"", ""}}, 
   {613.7682, 13.876518, "Meta"} -> {{132785, 64559, 69051}, 
     {"Diatrizoate [ C11 H9 I3 N2 O4, db=75.97, overall=37.98, KEGG \
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    {{129495, 121039, 135019}, {"", ""}}, {1178.4764, 13.877108, "Meta"} -> 
    {{91424, 58959, 54565}, {"", ""}}, {1148.4653, 13.877125, "Meta"} -> 
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    {{79582, 35941, 31451}, {"", ""}}, {874.6232, 13.896, "Meta"} -> 
    {{33410, 403599, 366627}, {"", ""}}, {1026.6364, 13.899459, "Meta"} -> 
    {{76238, 42234, 1}, {"", ""}}, {988.6857, 13.899965, "Meta"} -> 
    {{214056, 133152, 18701}, {"", ""}}, {1182.8066, 13.906625, "Meta"} -> 
    {{53368, 38914, 1}, {"", ""}}, {1155.8073, 13.909867, "Meta"} -> 
    {{1224331, 1130873, 1479181}, {"", ""}}, 
   {1133.7634, 13.909791, "Meta"} -> {{381237, 1, 1}, {"", ""}}, 
   {1204.7888, 13.910968, "Meta"} -> {{866571, 729628, 613125}, {"", ""}}, 
   {412.319, 13.933791, "Meta"} -> {{531150, 115844, 41530}, {"", ""}}, 
   {429.3453, 13.92668, "Meta"} -> {{176759, 369667, 1}, {"", ""}}, 
   {457.2311, 13.933417, "Meta"} -> {{30615, 55204, 1}, {"", ""}}, 
   {625.5645, 13.932321, "Meta"} -> {{144944, 279648, 24687}, 
     {"1,3-di-(9Z-octadecenoyl)-2-hydroxy-sn-glycerol-d5 [ C39 H67 D5 O5, \
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   {392.1986, 13.933346, "Meta"} -> {{1, 1, 100434}, 
     {"Betamethasone [ C22 H29 F O5, db=56.48, overall=28.24, KEGG ID=C06848, \
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    {{393991, 291198, 128586}, {"", ""}}, {905.6038, 13.9305, "Meta"} -> 
    {{68932, 129716, 1}, {"", ""}}, {326.2818, 13.934208, "Meta"} -> 
    {{123130, 237755, 18076}, {"14R-hydroxy-11Z-eicosenoic acid [ C20 H38 O3, \
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   {1512.9745, 13.943259, "Meta"} -> {{333359, 268177, 1}, {"", ""}}, 
   {404.3248, 13.940714, "Meta"} -> {{166587, 328698, 27896}, {"", ""}}, 
   {361.3192, 13.941904, "Meta"} -> {{576017, 995405, 122296}, {"", ""}}, 
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   {894.7203, 13.9559555, "Meta"} -> {{35071, 58830, 1}, {"", ""}}, 
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   {696.3306, 13.97226, "Meta"} -> {{21917, 50748, 1}, {"", ""}}, 
   {368.3293, 13.973274, "Meta"} -> {{48523, 45178, 40414}, 
     {"2-oxo-tricosanoic acid [ C23 H44 O3, db=83.10, overall=41.55, Lipid \
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    {{106762, 147140, 11680}, {"", ""}}, {327.3138, 14.019958, "Meta"} -> 
    {{58177, 71321, 1}, {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, \
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   {432.3443, 14.042667, "Meta"} -> {{4075774, 6390320, 427589}, {"", ""}}, 
   {1130.752, 14.0565195, "Meta"} -> {{449968, 1, 1}, {"", ""}}, 
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   {1301.9012, 14.060631, "Meta"} -> {{1, 1137308, 406557}, {"", ""}}, 
   {1345.9271, 14.061594, "Meta"} -> {{1176889, 1006026, 323747}, {"", ""}}, 
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   {1416.8945, 14.065963, "Meta"} -> {{403327, 312523, 1}, {"", ""}}, 
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   {1539.0583, 14.065129, "Meta"} -> {{376885, 366059, 754614}, {"", ""}}, 
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   {1671.1366, 14.077626, "Meta"} -> {{262997, 220409, 456160}, {"", ""}}, 
   {1759.1885, 14.088881, "Meta"} -> {{159597, 160422, 1}, {"", ""}}, 
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   {442.3058, 14.054035, "Meta"} -> {{162433, 90393, 261727}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
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    {{343446, 1, 373325}, {"Progesterone [ C21 H30 O2, db=66.34, \
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   {415.3467, 14.121041, "Meta"} -> {{1, 67431, 159982}, 
     {"tomatidine [ C27 H45 N O2, db=66.95, overall=33.47, Lipid \
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    {{1, 71963, 47358}, {"", ""}}, {1107.9249, 14.142357, "Meta"} -> 
    {{54995, 81995, 24308}, {"", ""}}, {889.6583, 14.144666, "Meta"} -> 
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    {{180045, 285187, 1}, {"", ""}}, {706.5926, 14.145374, "Meta"} -> 
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    {{26950, 19685, 1}, {"", ""}}, {798.6034, 14.14996, "Meta"} -> 
    {{51518, 86504, 1}, {"GPCho(18:0/19:3(9Z,12Z,15Z)[U]) [ C45 H85 N O8 P, \
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   {248.2501, 14.149543, "Meta"} -> {{44450, 65518, 1}, {"", ""}}, 
   {467.2466, 14.092066, "Meta"} -> {{1, 39325, 16171}, 
     {"Penbutolol glucuronide [ C24 H37 N O8, db=37.20, overall=18.60, KEGG \
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    {{96633, 155215, 1}, {"", ""}}, {1130.8466, 14.151208, "Meta"} -> 
    {{112924, 175090, 1}, {"", ""}}, {471.2462, 14.144727, "Meta"} -> 
    {{250121, 288315, 68000}, {"", ""}}, {511.4599, 14.152822, "Meta"} -> 
    {{266709, 217512, 20664}, {"", ""}}, {474.2492, 14.152304, "Meta"} -> 
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    {{39928, 47008, 1}, {"", ""}}, {1910.2386, 14.20512, "Meta"} -> 
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    {{91350, 718957, 159691}, {"", ""}}, {342.3608, 14.2178755, "Meta"} -> 
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    {{20022, 19350, 14504}, {"", ""}}, {592.5907, 14.224184, "Meta"} -> 
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    {{22369, 29289, 16832}, {"", ""}}, {919.6819, 14.234096, "Meta"} -> 
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    {{942559, 714297, 1}, {"", ""}}, {342.255, 14.27097, "Meta"} -> 
    {{1.8*^7, 2377528, 7619307}, {"", ""}}, {1114.7946, 14.253259, "Meta"} -> 
    {{101248, 72910, 1}, {"", ""}}, {174.14, 14.273462, "Meta"} -> 
    {{39139, 35310, 24647}, {"", ""}}, {540.4366, 14.265166, "Meta"} -> 
    {{44059, 150648, 172433}, {"", ""}}, {537.5111, 14.26788, "Meta"} -> 
    {{76316, 64210, 1}, {"N-Palmitoylsphingosine [ C34 H67 N O3, db=97.22, \
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   {120.0925, 14.28412, "Meta"} -> {{51097, 46402, 40117}, {"", ""}}, 
   {493.3546, 14.284119, "Meta"} -> {{204677, 174941, 1}, {"", ""}}, 
   {462.2603, 14.291335, "Meta"} -> {{49086, 62982, 1}, 
     {"Retinyl glucuronide [ C26 H38 O7, db=72.43, overall=36.21, KEGG ID=, \
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    {{83947, 94458, 1}, {"", ""}}, {1929.2153, 14.301193, "Meta"} -> 
    {{96844, 71277, 55377}, {"", ""}}, {1919.2993, 14.301039, "Meta"} -> 
    {{54174, 91033, 87434}, {"", ""}}, {678.0978, 14.303559, "Meta"} -> 
    {{39227, 27900, 1}, {"", ""}}, {660.1179, 14.307345, "Meta"} -> 
    {{60167, 58887, 70659}, {"", ""}}, {616.0923, 14.309033, "Meta"} -> 
    {{62439, 74391, 107790}, {"", ""}}, {1968.2823, 14.29344, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {557.4655, 14.3256235, "Meta"} -> 
    {{32496, 1, 1}, {"", ""}}, {210.1611, 14.326935, "Meta"} -> 
    {{34262, 1, 17861}, {"3E,5E-tridecadienoic acid [ C13 H22 O2, db=51.36, \
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    {{321082, 154774, 169276}, {"13E,17-octadecadienoic acid [ C18 H32 O2, \
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   {1302.9338, 14.329708, "Meta"} -> {{295358, 358044, 458899}, {"", ""}}, 
   {1224.7938, 14.333634, "Meta"} -> {{169876, 108203, 99995}, {"", ""}}, 
   {1158.784, 14.347498, "Meta"} -> {{62617, 49810, 198562}, {"", ""}}, 
   {412.258, 14.357724, "Meta"} -> {{9105981, 1, 9160977}, {"", ""}}, 
   {224.1775, 14.381326, "Meta"} -> {{958711, 164101, 704148}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=80.34, overall=40.17, \
Lipid ID=, KEGG ID= ]", ""}}, {540.3789, 14.368897, "Meta"} -> 
    {{556627, 700466, 278068}, {"", ""}}, {266.2606, 14.390668, "Meta"} -> 
    {{43736, 43013, 1}, {"3E,13Z-octadecadien-1-ol [ C18 H34 O, db=80.14, \
overall=40.07, Lipid ID=, KEGG ID= ]", ""}}, 
   {1987.2571, 14.389832, "Meta"} -> {{75777, 58578, 45553}, {"", ""}}, 
   {644.4889, 14.399479, "Meta"} -> {{206537, 163852, 1}, {"", ""}}, 
   {782.5681, 14.399292, "Meta"} -> {{1, 792343, 1}, 
     {"GPCho(18:1(9Z)/18:3(9Z,12Z,15Z)[U]) [ C44 H81 N O8 P, db=94.15, \
overall=47.08, Lipid ID=LMGP01010899, KEGG ID= ]", ""}}, 
   {1982.2996, 14.399588, "Meta"} -> {{96781, 101599, 95607}, {"", ""}}, 
   {1977.3427, 14.395542, "Meta"} -> {{1, 1, 81393}, {"", ""}}, 
   {415.3658, 14.408801, "Meta"} -> {{77948, 271151, 47234}, {"", ""}}, 
   {1894.2448, 14.404812, "Meta"} -> {{188197, 145830, 182051}, {"", ""}}, 
   {539.2676, 14.406583, "Meta"} -> {{1, 26869, 1}, {"", ""}}, 
   {258.1832, 14.399001, "Meta"} -> {{27801, 70855, 51321}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=63.45, overall=31.73, \
Lipid ID=, KEGG ID= ]", ""}}, {1674.1147, 14.420113, "Meta"} -> 
    {{1, 339477, 356776}, {"", ""}}, {1669.1595, 14.419, "Meta"} -> 
    {{228699, 305385, 281579}, {"", ""}}, {607.7394, 14.417484, "Meta"} -> 
    {{26218, 33058, 46727}, {"", ""}}, {690.5302, 14.423751, "Meta"} -> 
    {{78498, 73934, 1}, {"", ""}}, {410.3766, 14.434156, "Meta"} -> 
    {{105032, 121675, 59184}, {"", ""}}, {1458.941, 14.442542, "Meta"} -> 
    {{1, 149637, 113435}, {"", ""}}, {1360.9753, 14.447921, "Meta"} -> 
    {{173355, 201818, 1}, {"", ""}}, {415.4019, 14.450322, "Meta"} -> 
    {{24417, 30376, 8831}, {"", ""}}, {1326.8624, 14.456611, "Meta"} -> 
    {{139840, 94282, 90605}, {"", ""}}, {433.3763, 14.454422, "Meta"} -> 
    {{108264, 281504, 1}, {"(+/-)N-(2-fluro-ethyl)-2,16,16-trimethyl-5Z,8Z,11\
Z,14Z-tricosatetraenoyl amine [ C28 H48 F N O, db=67.24, overall=33.62, Lipid \
ID=, KEGG ID= ]", ""}}, {450.3702, 14.42675, "Meta"} -> 
    {{425888, 364907, 288999}, {"3alpha,12alpha,25-trihydroxy-5beta-cholestan\
-7-one [ C28 H50 O4, db=86.51, overall=43.25, Lipid ID=, KEGG ID= ]", ""}}, 
   {998.7598, 14.480124, "Meta"} -> {{35334, 1, 1}, {"", ""}}, 
   {568.4706, 14.499832, "Meta"} -> {{1, 805213, 139151}, {"", ""}}, 
   {640.1112, 14.502998, "Meta"} -> {{37506, 52425, 36486}, {"", ""}}, 
   {537.4164, 14.511375, "Meta"} -> {{882215, 568784, 1}, {"", ""}}, 
   {1859.2772, 14.508418, "Meta"} -> {{102342, 152246, 131877}, {"", ""}}, 
   {820.8858, 14.511085, "Meta"} -> {{28912, 38213, 1}, 
     {"Iohexol [ C19 H26 I3 N3 O9, db=28.84, overall=14.42, KEGG ID=, CAS \
ID=66108-95-0 ]", "66108-95-0"}}, {403.3657, 14.511079, "Meta"} -> 
    {{134656, 341797, 1}, {"", ""}}, {484.3078, 14.513251, "Meta"} -> 
    {{26901, 55588, 1}, {"", ""}}, {556.449, 14.513818, "Meta"} -> 
    {{233855, 178072, 202129}, {"", ""}}, {1727.2, 14.51852, "Meta"} -> 
    {{147881, 194734, 157064}, {"", ""}}, {371.3507, 14.486881, "Meta"} -> 
    {{48660, 51121, 21760}, {"", ""}}, {1428.9324, 14.556345, "Meta"} -> 
    {{75608, 47586, 40625}, {"", ""}}, {246.2343, 14.558037, "Meta"} -> 
    {{33894, 21790, 1}, {"Dodecylbenzene [ C18 H30, db=85.43, overall=42.71, \
HMP ID=HMDB03542, KEGG ID= ]", ""}}, {704.547, 14.558501, "Meta"} -> 
    {{50535, 39380, 1}, {"", ""}}, {353.239, 14.559209, "Meta"} -> 
    {{46592, 40054, 1}, {"", ""}}, {320.307, 14.586639, "Meta"} -> 
    {{36616, 29510, 1}, {"", ""}}, {674.1341, 14.583749, "Meta"} -> 
    {{25284, 39511, 38308}, {"", ""}}, {1922.2782, 14.597296, "Meta"} -> 
    {{113292, 78969, 121195}, {"", ""}}, {648.6536, 14.599898, "Meta"} -> 
    {{338133, 251614, 39560}, {"", ""}}, {721.5625, 14.639969, "Meta"} -> 
    {{76377, 117175, 1}, {"", ""}}, {796.2077, 14.596042, "Meta"} -> 
    {{1, 46711, 54687}, {"", ""}}, {356.3766, 14.611617, "Meta"} -> 
    {{102034, 277367, 51622}, {"", ""}}, {729.6274, 14.614373, "Meta"} -> 
    {{18156, 43670, 1}, {"", ""}}, {616.4684, 14.621041, "Meta"} -> 
    {{1.04*^7, 8997246, 1}, {"", ""}}, {292.1672, 14.630277, "Meta"} -> 
    {{79337, 124249, 90027}, {"", ""}}, {783.0571, 14.639333, "Meta"} -> 
    {{19325, 67647, 47523}, {"", ""}}, {516.2764, 14.643195, "Meta"} -> 
    {{24458, 37993, 41978}, {"", ""}}, {126.1405, 14.642334, "Meta"} -> 
    {{45605, 75795, 1}, {"", ""}}, {449.3507, 14.649598, "Meta"} -> 
    {{115357, 228140, 145764}, {"", ""}}, {714.5294, 14.645124, "Meta"} -> 
    {{135892, 120647, 1}, {"1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-(4Z,7Z,\
10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol [ C47 H70 O5, db=26.90, \
overall=13.45, KEGG ID=, CAS ID= ]", ""}}, {148.0158, 14.662999, "Meta"} -> 
    {{64229, 200180, 117205}, {"", ""}}, {1975.3611, 14.680179, "Meta"} -> 
    {{54780, 56798, 33811}, {"", ""}}, {1304.9498, 14.676501, "Meta"} -> 
    {{169525, 89925, 1}, {"", ""}}, {1288.9882, 14.677895, "Meta"} -> 
    {{416307, 424799, 67590}, {"", ""}}, {314.2456, 14.663063, "Meta"} -> 
    {{1, 150375, 398979}, {"Octadecanedioic acid [ C18 H34 O4, db=84.30, \
overall=42.15, HMP ID=HMDB00782, KEGG ID= ]", ""}}, 
   {1887.3066, 14.691118, "Meta"} -> {{60696, 53412, 57907}, {"", ""}}, 
   {718.5628, 14.687387, "Meta"} -> {{378241, 301529, 1}, {"", ""}}, 
   {623.4396, 14.6919565, "Meta"} -> {{166869, 45682, 1}, {"", ""}}, 
   {645.6059, 14.685749, "Meta"} -> {{36796, 33639, 1}, {"", ""}}, 
   {628.3971, 14.698038, "Meta"} -> {{1, 37909, 1}, {"", ""}}, 
   {1843.2805, 14.697259, "Meta"} -> {{53975, 55033, 46421}, {"", ""}}, 
   {648.5186, 14.694042, "Meta"} -> {{176175, 157910, 1}, {"", ""}}, 
   {408.3972, 14.705543, "Meta"} -> {{69922, 27722, 1}, 
     {"2,4-dimethyl-2-pentacosenoic acid [ C27 H52 O2, db=74.43, \
overall=37.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {1226.7506, 14.711852, "Meta"} -> {{167121, 154964, 1}, 
     {"Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=97.82, \
overall=48.91, HMP ID=HMDB04902, KEGG ID= ]", ""}}, 
   {645.4183, 14.717676, "Meta"} -> {{1, 139633, 202659}, {"", ""}}, 
   {698.468, 14.730161, "Meta"} -> {{67952, 44776, 1}, {"", ""}}, 
   {758.5008, 14.730802, "Meta"} -> {{75999, 40972, 54088}, {"", ""}}, 
   {337.2991, 14.743073, "Meta"} -> {{126299, 1, 1}, {"", ""}}, 
   {567.4826, 14.741691, "Meta"} -> {{75379, 77871, 75654}, {"", ""}}, 
   {335.2823, 14.734916, "Meta"} -> {{355647, 363328, 1}, {"", ""}}, 
   {224.1774, 14.743076, "Meta"} -> {{51438, 46763, 1}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=58.15, overall=29.08, \
Lipid ID=, KEGG ID= ]", ""}}, {311.2823, 14.741, "Meta"} -> 
    {{441162, 388895, 1}, {"", ""}}, {410.3415, 14.759458, "Meta"} -> 
    {{17650, 2339251, 1}, {"", ""}}, {578.4528, 14.761768, "Meta"} -> 
    {{75099, 58480, 1}, {"", ""}}, {821.8807, 14.768291, "Meta"} -> 
    {{26990, 1, 16265}, {"", ""}}, {454.306, 14.7669325, "Meta"} -> 
    {{1, 196380, 157285}, {"26,26,26-trifluoro-25-hydroxyvitamin D3 / \
26,26,26-trifluoro-25-hydroxycholecalciferol [ C27 H41 F3 O2, db=96.49, \
overall=48.25, Lipid ID=LMST03020131, KEGG ID= ]", ""}}, 
   {754.4952, 14.762309, "Meta"} -> {{49312, 45609, 1}, {"", ""}}, 
   {544.4848, 14.776436, "Meta"} -> {{64284, 66669, 71020}, {"", ""}}, 
   {1023.6713, 14.774457, "Meta"} -> {{98313, 96448, 1}, 
     {"Trihexosylceramide (d18:1/16:0) [ C52 H97 N O18, db=90.02, \
overall=45.01, HMP ID=HMDB04879, KEGG ID= ]", ""}}, 
   {278.1698, 14.775679, "Meta"} -> {{78603, 77878, 1}, {"", ""}}, 
   {647.6214, 14.772876, "Meta"} -> {{42182, 34045, 1}, 
     {"Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, db=98.12, overall=49.06, \
HMP ID=HMDB04953, KEGG ID= ]", ""}}, {434.3759, 14.783721, "Meta"} -> 
    {{171813, 207143, 1}, {"6-deoxoteasterone [ C28 H50 O3, db=63.15, \
overall=31.57, Lipid ID=LMST01030120, KEGG ID= ]", ""}}, 
   {724.4845, 14.780425, "Meta"} -> {{24713, 21607, 1}, {"", ""}}, 
   {406.3782, 14.821377, "Meta"} -> {{31047, 29280, 11894}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=55.72, \
overall=27.86, Lipid ID=, KEGG ID= ]", ""}}, {704.5472, 14.802679, "Meta"} -> 
    {{50847, 47211, 1}, {"", ""}}, {1249.0677, 14.813335, "Meta"} -> 
    {{38035, 1, 28761}, {"", ""}}, {843.4971, 14.847156, "Meta"} -> 
    {{117035, 96430, 30238}, {"", ""}}, {2045.5883, 14.842042, "Meta"} -> 
    {{25162, 89117, 1}, {"", ""}}, {2720.1182, 14.840377, "Meta"} -> 
    {{131758, 123890, 1}, {"", ""}}, {2061.5564, 14.8452215, "Meta"} -> 
    {{235737, 208400, 32553}, {"", ""}}, {1239.9836, 14.848166, "Meta"} -> 
    {{114692, 47717, 1}, {"", ""}}, {1387.0208, 14.848454, "Meta"} -> 
    {{561192, 385793, 1}, {"", ""}}, {565.4473, 14.858251, "Meta"} -> 
    {{371613, 344876, 68775}, {"", ""}}, {1226.951, 14.852665, "Meta"} -> 
    {{71515, 29114, 22750}, {"", ""}}, {1419.0518, 14.88988, "Meta"} -> 
    {{31454, 1, 27521}, {"", ""}}, {455.3974, 14.8894205, "Meta"} -> 
    {{33674, 841911, 21728}, {"", ""}}, {483.4287, 14.892069, "Meta"} -> 
    {{106756, 1476759, 20199}, {"", ""}}, {1375.0894, 14.895823, "Meta"} -> 
    {{1334218, 964970, 1}, {"", ""}}, {469.413, 14.892142, "Meta"} -> 
    {{233982, 5296195, 110756}, {"", ""}}, {280.2035, 14.893897, "Meta"} -> 
    {{1, 1664571, 33566}, 
     {"12S-HHTrE [ C17 H28 O3, db=88.18, overall=44.09, KEGG ID=, CAS ID= ]", 
      ""}}, {2113.588, 14.897228, "Meta"} -> {{121425, 105145, 46474}, 
     {"", ""}}, {1292.0153, 14.903293, "Meta"} -> 
    {{288680, 156945, 1}, {"", ""}}, {2139.604, 14.913654, "Meta"} -> 
    {{350132, 344429, 1}, {"", ""}}, {1521.0576, 14.912457, "Meta"} -> 
    {{32919, 37571, 32628}, {"", ""}}, {738.4997, 14.919686, "Meta"} -> 
    {{1, 1032214, 687798}, {"", ""}}, {1885.4286, 14.923374, "Meta"} -> 
    {{20927, 17022, 1}, {"", ""}}, {892.7136, 14.926122, "Meta"} -> 
    {{77772, 507531, 56190}, {"", ""}}, {406.3781, 14.850402, "Meta"} -> 
    {{28959, 39398, 1}, {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 \
H50 O2, db=63.39, overall=31.69, Lipid ID=, KEGG ID= ]", ""}}, 
   {607.4578, 14.934502, "Meta"} -> {{95117, 125049, 1}, {"", ""}}, 
   {1389.1053, 14.947632, "Meta"} -> {{1078984, 875062, 35289}, {"", ""}}, 
   {1363.0868, 14.951377, "Meta"} -> {{129407, 112355, 1}, {"", ""}}, 
   {1415.0522, 14.961962, "Meta"} -> {{150663, 1, 1}, {"", ""}}, 
   {857.512, 14.964919, "Meta"} -> {{70066, 42354, 1}, {"", ""}}, 
   {1142.867, 14.976418, "Meta"} -> {{23733, 21368, 1}, {"", ""}}, 
   {1266.9861, 14.97788, "Meta"} -> {{98506, 60234, 52338}, {"", ""}}, 
   {1154.8688, 14.982498, "Meta"} -> {{58739, 52226, 86757}, {"", ""}}, 
   {390.277, 15.002232, "Meta"} -> {{312925, 168557, 1}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=85.91, \
overall=42.95, Lipid ID=, KEGG ID= ]", ""}}, {752.5832, 15.019201, "Meta"} -> 
    {{366970, 120739, 1}, {"", ""}}, {484.3526, 15.004758, "Meta"} -> 
    {{40922, 28915, 47074}, {"(22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimet\
hyl-23,24-tetradehydro-20-epivitamin D3 / (22S)-1alph [ C31 H48 O4, db=66.11, \
overall=33.06, Lipid ID=LMST03020487, KEGG ID= ]", ""}}, 
   {367.3811, 15.008845, "Meta"} -> {{37116, 44089, 22368}, {"", ""}}, 
   {677.5002, 15.038733, "Meta"} -> {{139191, 183716, 53218}, 
     {"GPEtn(13:0/18:0)[U] [ C36 H72 N O8 P, db=95.91, overall=47.95, Lipid \
ID=LMGP02010240, KEGG ID= ]", ""}}, {1391.1198, 15.0320015, "Meta"} -> 
    {{262862, 247698, 39716}, {"", ""}}, {1454.0837, 15.034749, "Meta"} -> 
    {{80021, 81278, 1}, {"", ""}}, {1380.0681, 15.047085, "Meta"} -> 
    {{85021, 113838, 1}, {"", ""}}, {755.4903, 15.05794, "Meta"} -> 
    {{121145, 204896, 144991}, {"", ""}}, {784.5607, 15.058108, "Meta"} -> 
    {{45236, 58903, 66645}, {"", ""}}, {758.4878, 15.060915, "Meta"} -> 
    {{353743, 489333, 389468}, {"", ""}}, {818.5122, 15.060144, "Meta"} -> 
    {{141084, 211010, 321805}, {"", ""}}, {737.5, 15.062039, "Meta"} -> 
    {{1, 123854, 1}, {"", ""}}, {1283.0142, 15.076242, "Meta"} -> 
    {{143114, 175006, 389850}, {"", ""}}, {2171.6577, 15.092257, "Meta"} -> 
    {{81341, 101106, 1}, {"", ""}}, {995.0105, 15.10904, "Meta"} -> 
    {{41290, 28268, 43236}, {"", ""}}, {488.4462, 15.100375, "Meta"} -> 
    {{65640, 15683, 1}, {"", ""}}, {1469.0988, 15.108223, "Meta"} -> 
    {{74366, 189561, 189516}, {"", ""}}, {1506.1136, 15.1095, "Meta"} -> 
    {{250451, 325973, 1}, {"", ""}}, {471.3568, 15.111719, "Meta"} -> 
    {{33563, 84648, 1}, {"", ""}}, {1322.0612, 15.118584, "Meta"} -> 
    {{45920, 37839, 1}, {"", ""}}, {828.6716, 15.138119, "Meta"} -> 
    {{90691, 97571, 1}, {"", ""}}, {593.4785, 15.136201, "Meta"} -> 
    {{370379, 349377, 1}, {"", ""}}, {697.5053, 15.145536, "Meta"} -> 
    {{62752, 74568, 39932}, {"1-tetrahexanoyl-2-(8-[3]-ladderane-octanyl)-sn-\
glycerophosphoethanolamine [ C39 H72 N O7 P, db=68.26, overall=34.13, Lipid \
ID=, KEGG ID= ]", ""}}, {803.5472, 15.149806, "Meta"} -> 
    {{2416888, 3030151, 1}, {"", ""}}, {619.4939, 15.1440735, "Meta"} -> 
    {{104004, 86993, 1}, {"CerP(d18:0/16:0) [ C34 H70 N O6 P, db=93.09, \
overall=46.55, Lipid ID=LMSP02050003, KEGG ID= ]", ""}}, 
   {558.4257, 15.139498, "Meta"} -> {{16288, 28196, 15428}, {"", ""}}, 
   {622.4963, 15.142163, "Meta"} -> {{28313, 29722, 1}, {"", ""}}, 
   {820.6892, 15.14996, "Meta"} -> {{46059, 42214, 90049}, {"", ""}}, 
   {893.5938, 15.154918, "Meta"} -> {{425475, 374941, 1}, {"", ""}}, 
   {663.5204, 15.159599, "Meta"} -> {{56660, 47889, 1}, {"", ""}}, 
   {779.5471, 15.188432, "Meta"} -> {{2.79*^7, 2.87*^7, 6890072}, {"", ""}}, 
   {851.5445, 15.182407, "Meta"} -> {{66709, 70151, 186830}, {"", ""}}, 
   {805.5616, 15.247258, "Meta"} -> {{8108266, 8090663, 9721492}, 
     {"Galabiosylceramide (d18:1/12:0) [ C42 H79 N O13, db=66.51, \
overall=33.26, HMP ID=HMDB04831, KEGG ID= ]", ""}}, 
   {1489.1093, 15.274734, "Meta"} -> {{327272, 324153, 179363}, {"", ""}}, 
   {719.5459, 15.309272, "Meta"} -> {{1, 1, 54266}, 
     {"GPEtn(20:0/14:0)[U] [ C39 H78 N O8 P, db=86.95, overall=43.48, Lipid \
ID=LMGP02010177, KEGG ID= ]", ""}}, {1571.0496, 15.31023, "Meta"} -> 
    {{102156, 98715, 349854}, {"", ""}}, {725.5362, 15.288499, "Meta"} -> 
    {{102048, 77008, 1}, {"", ""}}, {873.5031, 15.313261, "Meta"} -> 
    {{89541, 85287, 272073}, {"", ""}}, {756.6148, 15.312764, "Meta"} -> 
    {{375141, 290073, 466524}, {"", ""}}, {1547.1289, 15.317959, "Meta"} -> 
    {{307836, 249360, 1}, {"", ""}}, {1573.1439, 15.344415, "Meta"} -> 
    {{1177066, 327105, 1}, {"", ""}}, {1549.1458, 15.37693, "Meta"} -> 
    {{2649649, 2601060, 400226}, {"", ""}}, {782.6284, 15.348928, "Meta"} -> 
    {{170075, 148369, 171837}, {"", ""}}, {952.5369, 15.360694, "Meta"} -> 
    {{56599, 61310, 117095}, {"", ""}}, {1525.1418, 15.393956, "Meta"} -> 
    {{1, 1036667, 439487}, {"", ""}}, {1491.1252, 15.387623, "Meta"} -> 
    {{1, 76016, 68735}, {"", ""}}, {775.5518, 15.381926, "Meta"} -> 
    {{297015, 366409, 453781}, {"", ""}}, {875.5185, 15.418427, "Meta"} -> 
    {{65471, 61670, 168378}, {"", ""}}, {1595.19, 15.493964, "Meta"} -> 
    {{1, 3070379, 668288}, {"", ""}}, {1579.1923, 15.52975, "Meta"} -> 
    {{1140174, 1407060, 1}, {"", ""}}, {954.5526, 15.542758, "Meta"} -> 
    {{251442, 229924, 1}, {"", ""}}, {1557.2059, 15.597347, "Meta"} -> 
    {{604690, 472189, 1}, {"", ""}}, {909.5775, 15.618968, "Meta"} -> 
    {{1, 158814, 1}, {"", ""}}, {1573.2028, 15.661559, "Meta"} -> 
    {{1344105, 1579656, 1}, {"", ""}}, {1559.2216, 15.669201, "Meta"} -> 
    {{359365, 267831, 1}, {"", ""}}, {602.5269, 15.669942, "Meta"} -> 
    {{19778, 36586, 16061}, {"1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-\
octanyl)-sn-glycerol [ C39 H70 O4, db=63.29, overall=31.64, Lipid ID=, KEGG \
ID= ]", ""}}, {843.6118, 15.722835, "Meta"} -> {{1, 789053, 1}, {"", ""}}, 
   {834.6468, 15.719202, "Meta"} -> {{62677, 41312, 1}, {"", ""}}, 
   {621.6059, 15.754334, "Meta"} -> {{47272, 33042, 13252}, 
     {"Ceramide (d18:1/22:0) [ C40 H79 N O3, db=87.19, overall=43.60, HMP \
ID=HMDB04952, KEGG ID= ]", ""}}, {838.6273, 15.792639, "Meta"} -> 
    {{110389, 79130, 1}, {"GPCho(20:0/20:4(5Z,8Z,11Z,14Z)) [ C48 H89 N O8 P, \
db=55.85, overall=27.93, Lipid ID=LMGP01011023, KEGG ID= ]", ""}}, 
   {656.5704, 15.817416, "Meta"} -> {{123673, 340356, 65269}, {"", ""}}, 
   {582.4434, 15.824362, "Meta"} -> {{43263, 40313, 17622}, 
     {"Spheroidenone [ C41 H58 O2, db=89.48, overall=44.74, Lipid \
ID=LMPR01070121, KEGG ID= ]", ""}}, {604.5427, 15.825538, "Meta"} -> 
    {{27960, 52837, 1}, {"", ""}}, {639.5801, 15.833317, "Meta"} -> 
    {{54215, 108732, 17452}, {"", ""}}, {635.6218, 15.840301, "Meta"} -> 
    {{86311, 67607, 18051}, {"Tricosanamide [ C41 H81 N O3, db=95.86, \
overall=47.93, HMP ID=HMDB00950, KEGG ID= ]", ""}}, 
   {747.6132, 15.858359, "Meta"} -> {{267009, 181977, 1}, {"", ""}}, 
   {564.3964, 15.855876, "Meta"} -> {{49455, 40029, 1}, 
     {"Alloxanthin/ Tetradehydrozeaxanthin / (Cynthiaxanthin)/ \
(Pectenoxanthin) [ C40 H52 O2, db=83.49, overall=41.74, Lipid \
ID=LMPR01070053, KEGG ID= ]", ""}}, {873.6609, 15.903295, "Meta"} -> 
    {{1951069, 1366803, 340288}, {"", ""}}, {840.7075, 15.923631, "Meta"} -> 
    {{269368, 257103, 55367}, {"", ""}}, {1018.6208, 15.944415, "Meta"} -> 
    {{113819, 115847, 1}, {"", ""}}, {815.6404, 15.987547, "Meta"} -> 
    {{816115, 770007, 79950}, {"", ""}}, {619.6265, 15.961481, "Meta"} -> 
    {{98992, 80807, 1}, {"", ""}}, {828.7082, 15.996313, "Meta"} -> 
    {{346372, 292837, 67908}, {"", ""}}, {624.5694, 16.028141, "Meta"} -> 
    {{234739, 1144729, 31381}, {"1-hexadecanoyl-2-eicosanoyl-sn-glycerol [ \
C39 H76 O5, db=99.33, overall=49.66, KEGG ID=, CAS ID= ]", ""}}, 
   {793.5295, 16.028925, "Meta"} -> {{88567, 257741, 36456}, {"", ""}}, 
   {684.6018, 16.037434, "Meta"} -> {{215220, 678624, 67940}, {"", ""}}, 
   {647.6577, 16.104456, "Meta"} -> {{28317, 26944, 1}, {"", ""}}, 
   {901.6918, 16.16311, "Meta"} -> {{2081056, 2415498, 210573}, {"", ""}}, 
   {851.6773, 16.1885, "Meta"} -> {{3092635, 2696828, 1}, {"", ""}}, 
   {1046.6519, 16.208208, "Meta"} -> {{147839, 128126, 1}, {"", ""}}, 
   {915.6391, 16.21967, "Meta"} -> {{275318, 246662, 1}, {"", ""}}, 
   {674.5822, 16.300085, "Meta"} -> {{35714, 214916, 1}, 
     {"1-(9Z,12Z,15Z-octadecatrienoyl)-2-docosanoyl-sn-glycerol [ C43 H78 O5, \
db=84.09, overall=42.05, KEGG ID=, CAS ID= ]", ""}}, 
   {669.6272, 16.306915, "Meta"} -> {{36185, 114725, 1}, {"", ""}}, 
   {599.7973, 0.40380767, "Meta"} -> {{22745, 27712, 18857}, {"", ""}}, 
   {657.758, 0.40885717, "Meta"} -> {{23768, 29150, 22633}, {"", ""}}, 
   {294.0586, 0.8043199, "Meta"} -> {{1, 1, 52465}, 
     {"2-Butanone, 4-[6-(sulfooxy)-2-naphthalenyl]- [ C14 H14 O5 S, db=75.51, \
overall=37.75, KEGG ID=, CAS ID=91488-18-5 ]", "91488-18-5"}}, 
   {281.1835, 0.9314584, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {398.103, 10.056501, "Meta"} -> {{1, 1, 1}, {"7-Deoxyadriamycinone [ C21 \
H18 O8, db=72.55, overall=36.27, KEGG ID=, CAS ID=38554-25-5 ]", 
      "38554-25-5"}}, {316.1655, 12.127219, "Meta"} -> 
    {{18986, 17760, 22022}, {"Gibberellin A9 [ C19 H24 O4, db=70.57, \
overall=35.28, Lipid ID=LMPR01040080, KEGG ID=C11863 ]", ""}}, 
   {360.3348, 12.153709, "Meta"} -> {{12473, 16563, 17072}, {"", ""}}, 
   {575.2531, 12.914229, "Meta"} -> {{126702, 121479, 1}, {"", ""}}, 
   {2673.578, 13.020778, "Meta"} -> {{143623, 47227, 139223}, {"", ""}}, 
   {1089.123, 13.053888, "Meta"} -> {{1, 251220, 139006}, {"", ""}}, 
   {171.1082, 13.161032, "Meta"} -> {{70186, 109764, 1}, {"", ""}}, 
   {1128.6443, 13.308519, "Meta"} -> {{1, 228067, 120586}, {"", ""}}, 
   {1054.6296, 13.4031925, "Meta"} -> {{241475, 175492, 180490}, {"", ""}}, 
   {354.2764, 13.447666, "Meta"} -> {{118550, 146026, 180067}, 
     {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 O4, db=81.00, \
overall=40.50, KEGG ID=, CAS ID= ]", ""}}, {404.2564, 13.470193, "Meta"} -> 
    {{1, 33675, 73234}, {"3alpha-Hydroxy-1,7-dioxo-5beta-cholan-24-oic Acid [ \
C24 H36 O5, db=54.21, overall=27.10, Lipid ID=, KEGG ID= ]", ""}}, 
   {393.345, 13.526668, "Meta"} -> {{1, 30954, 72380}, {"", ""}}, 
   {924.666, 13.533161, "Meta"} -> {{80311, 106087, 150120}, {"", ""}}, 
   {669.1917, 13.736482, "Meta"} -> {{20096, 33086, 26765}, {"", ""}}, 
   {1290.8967, 13.782408, "Meta"} -> {{86899, 1, 488426}, {"", ""}}, 
   {635.9026, 13.919742, "Meta"} -> {{96748, 84297, 100459}, {"", ""}}, 
   {635.3999, 13.91975, "Meta"} -> {{184690, 170875, 188671}, {"", ""}}, 
   {516.3801, 14.114333, "Meta"} -> {{136558, 102721, 225925}, {"", ""}}, 
   {511.1689, 14.181082, "Meta"} -> {{1, 31729, 47589}, {"", ""}}, 
   {931.215, 14.176583, "Meta"} -> {{41079, 91418, 1}, {"", ""}}, 
   {586.1548, 14.178291, "Meta"} -> {{16745, 31971, 1}, {"", ""}}, 
   {1359.9429, 14.191167, "Meta"} -> {{1, 1, 282622}, {"", ""}}, 
   {1320.8715, 14.194332, "Meta"} -> {{1, 1, 111089}, {"", ""}}, 
   {380.2015, 14.26752, "Meta"} -> {{20300, 15947, 17018}, 
     {"fludrocortisone [ C21 H29 F O5, db=74.03, overall=37.01, KEGG \
ID=C07004, CAS ID=127-31-1 ]", "127-31-1"}}, {619.3965, 14.305385, "Meta"} -> 
    {{60097, 54228, 53765}, {"", ""}}, {356.3763, 14.378928, "Meta"} -> 
    {{13465, 26055, 29343}, {"", ""}}, {1889.2896, 14.402522, "Meta"} -> 
    {{120349, 150590, 1}, {"", ""}}, {650.1152, 14.411629, "Meta"} -> 
    {{1, 53006, 49926}, {"", ""}}, {1767.123, 14.413298, "Meta"} -> 
    {{1, 1, 126405}, {"", ""}}, {1679.0721, 14.423563, "Meta"} -> 
    {{188941, 136325, 136949}, {"", ""}}, {368.2238, 14.477722, "Meta"} -> 
    {{49392, 1, 37002}, {"Cinnarizine [ C26 H28 N2, db=69.13, overall=34.57, \
KEGG ID=, CAS ID=298-57-7 ]", "298-57-7"}}, {1917.3203, 14.597922, "Meta"} -> 
    {{75232, 96616, 81230}, {"", ""}}, {647.4032, 14.609459, "Meta"} -> 
    {{1, 1, 290764}, {"", ""}}, {500.3232, 14.654705, "Meta"} -> 
    {{56536, 74029, 95855}, {"", ""}}, {1521.0833, 14.646523, "Meta"} -> 
    {{35654, 44458, 1}, {"", ""}}, {1526.0391, 14.64763, "Meta"} -> 
    {{56841, 53297, 1}, {"", ""}}, {1443.0833, 15.060664, "Meta"} -> 
    {{856036, 1, 825811}, {"", ""}}, {723.521, 15.2196665, "Meta"} -> 
    {{463064, 535794, 2634486}, {"", ""}}, {921.5034, 15.239142, "Meta"} -> 
    {{13158, 19251, 41891}, {"", ""}}, {788.0411, 15.420655, "Meta"} -> 
    {{34248, 25317, 1}, {"", ""}}, {841.5162, 15.547038, "Meta"} -> 
    {{69860, 55311, 125476}, {"", ""}}, {850.624, 15.728799, "Meta"} -> 
    {{642201, 584292, 433195}, {"", ""}}, {517.7982, 0.4096, "Meta"} -> 
    {{20739, 21874, 16477}, {"", ""}}, {666.2423, 12.18948, "Meta"} -> 
    {{18444, 18713, 22816}, {"", ""}}, {572.2543, 12.91816, "Meta"} -> 
    {{93051, 80172, 38021}, {"", ""}}, {1595.9451, 12.915928, "Meta"} -> 
    {{298082, 237836, 51815}, {"", ""}}, {3109.9707, 13.280482, "Meta"} -> 
    {{1, 197163, 41590}, {"", ""}}, {545.3454, 13.662582, "Meta"} -> 
    {{3043930, 2228290, 365515}, {"", ""}}, {688.2758, 13.875841, "Meta"} -> 
    {{29696, 21868, 34104}, {"", ""}}, {1489.1554, 14.143559, "Meta"} -> 
    {{1110702, 1523255, 502775}, {"", ""}}, 
   {1390.9865, 14.3234005, "Meta"} -> {{357332, 484979, 673132}, {"", ""}}, 
   {530.4326, 14.391999, "Meta"} -> {{83520, 72178, 58910}, {"", ""}}, 
   {594.4261, 14.674281, "Meta"} -> {{394327, 380388, 489978}, {"", ""}}, 
   {1457.1663, 15.1218405, "Meta"} -> {{1275826, 1358660, 56238}, {"", ""}}, 
   {2310.636, 15.30744, "Meta"} -> {{74262, 77504, 279261}, {"", ""}}, 
   {467.2173, 13.542123, "Meta"} -> {{36598, 33606, 1}, 
     {"Levobunolol glucuronide [ C23 H33 N O9, db=57.86, overall=28.93, KEGG \
ID=, CAS ID=66171-80-0 ]", "66171-80-0"}}, {1498.9567, 13.811957, "Meta"} -> 
    {{109536, 45313, 1}, {"", ""}}, {356.2327, 13.884462, "Meta"} -> 
    {{24442, 16302, 1}, {"Estradiol valerate [ C23 H32 O3, db=46.24, \
overall=23.12, Lipid ID=LMST02010039, KEGG ID=C12859 ]", ""}}, 
   {406.3805, 14.560919, "Meta"} -> {{27707, 33807, 1}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=58.66, \
overall=29.33, Lipid ID=, KEGG ID= ]", ""}}, {422.3396, 14.760127, "Meta"} -> 
    {{27463, 1106321, 1}, {"", ""}}|>, 
 "20" -> <|{202.0329, 0.33260712, "Meta"} -> {{1, 313537, 218127}, {"", ""}}, 
   {174.0375, 0.33451426, "Meta"} -> {{128599, 113706, 65680}, {"", ""}}, 
   {142.012, 0.3335833, "Meta"} -> {{239865, 298702, 284282}, {"", ""}}, 
   {100.0009, 0.33358333, "Meta"} -> {{26319, 30555, 29436}, {"", ""}}, 
   {81.9906, 0.33332258, "Meta"} -> {{33094, 1, 24129}, {"", ""}}, 
   {942.9842, 0.34920588, "Meta"} -> {{134486, 115954, 157302}, {"", ""}}, 
   {146.1052, 0.34577778, "Meta"} -> {{120810, 105053, 115375}, 
     {"Lysine [ C6 H14 N2 O2, db=85.61, overall=42.81, KEGG ID=C00047, CAS \
ID=56-87-1 ]", "56-87-1"}}, {261.9746, 0.34792307, "Meta"} -> 
    {{34460, 33357, 1}, {"", ""}}, {327.9996, 0.35123524, "Meta"} -> 
    {{26226, 27861, 28317}, {"", ""}}, {410.0024, 0.35388887, "Meta"} -> 
    {{23215, 26111, 17430}, {"", ""}}, {492.0044, 0.3583055, "Meta"} -> 
    {{39479, 68457, 67991}, {"", ""}}, {671.9891, 0.3621072, "Meta"} -> 
    {{12637, 9422, 9277}, {"", ""}}, {574.0073, 0.3586285, "Meta"} -> 
    {{30171, 49697, 43928}, {"", ""}}, {589.9859, 0.36100003, "Meta"} -> 
    {{20410, 16163, 16418}, {"", ""}}, {507.9825, 0.35863888, "Meta"} -> 
    {{26773, 18971, 19243}, {"Inosine triphosphate [ C10 H15 N4 O14 P3, \
db=53.73, overall=26.87, HMP ID=HMDB00189, KEGG ID= ]", ""}}, 
   {656.0118, 0.36025003, "Meta"} -> {{16631, 1, 25047}, {"", ""}}, 
   {738.0146, 0.3612308, "Meta"} -> {{1, 1, 19209}, {"", ""}}, 
   {1278.0948, 0.3672727, "Meta"} -> {{15868, 16577, 17609}, {"", ""}}, 
   {436.0787, 0.36760005, "Meta"} -> {{37375, 31959, 34315}, {"", ""}}, 
   {340.0591, 0.3675589, "Meta"} -> {{34616, 37371, 36211}, {"", ""}}, 
   {600.0828, 0.36788896, "Meta"} -> {{63480, 55652, 59784}, {"", ""}}, 
   {586.0686, 0.36716667, "Meta"} -> {{23439, 23287, 25488}, {"", ""}}, 
   {504.0638, 0.3671143, "Meta"} -> {{24800, 21831, 21079}, {"", ""}}, 
   {682.0872, 0.36725715, "Meta"} -> {{24417, 22124, 22750}, {"", ""}}, 
   {518.081, 0.36761123, "Meta"} -> {{66701, 55517, 62854}, {"", ""}}, 
   {168.0872, 0.36461288, "Meta"} -> {{1, 39989, 118726}, {"", ""}}, 
   {354.0757, 0.36960006, "Meta"} -> {{102388, 105099, 108339}, 
     {"N-Desmethylketazolam [ C19 H15 Cl N2 O3, db=61.05, overall=30.52, KEGG \
ID=, CAS ID=26945-40-4 ]", "26945-40-4"}}, {764.0883, 0.36781484, "Meta"} -> 
    {{13118, 11438, 12966}, {"", ""}}, {1442.1014, 0.36745453, "Meta"} -> 
    {{19910, 16971, 18150}, {"", ""}}, {1110.0033, 0.36859375, "Meta"} -> 
    {{58615, 51891, 53831}, {"", ""}}, {185.9878, 0.37075, "Meta"} -> 
    {{3081719, 3295470, 3284492}, {"", ""}}, 
   {103.9855, 0.37086117, "Meta"} -> {{1302184, 1183549, 1217682}, {"", ""}}, 
   {842.5152, 0.37236363, "Meta"} -> {{58979, 56254, 53934}, 
     {"Spiramycin 1 [ C43 H74 N2 O14, db=50.52, overall=25.26, KEGG \
ID=C01754, CAS ID=24916-50-5 ]", "24916-50-5"}}, 
   {1274.0109, 0.37162504, "Meta"} -> {{192995, 180341, 176927}, {"", ""}}, 
   {2094.0337, 0.37128574, "Meta"} -> {{87636, 80453, 81332}, {"", ""}}, 
   {2504.0469, 0.37122574, "Meta"} -> {{1, 37923, 38065}, {"", ""}}, 
   {2176.057, 0.37145713, "Meta"} -> {{126895, 110367, 118546}, {"", ""}}, 
   {1848.0302, 0.37174284, "Meta"} -> {{314498, 291855, 277781}, {"", ""}}, 
   {678.5085, 0.37215626, "Meta"} -> {{48472, 44759, 47505}, 
     {"GPCho(14:0/14:0[U]) [ C36 H73 N O8 P, db=51.87, overall=25.93, Lipid \
ID=LMGP01010478, KEGG ID= ]", ""}}, {678.0101, 0.37240005, "Meta"} -> 
    {{1068915, 1013032, 1021655}, {"", ""}}, {760.0074, 0.3722353, "Meta"} -> 
    {{690986, 645438, 650953}, {"", ""}}, {349.9932, 0.3725278, "Meta"} -> 
    {{2238428, 2079501, 2090239}, {"", ""}}, 
   {2012.0356, 0.37163636, "Meta"} -> {{256820, 242514, 243213}, {"", ""}}, 
   {760.5129, 0.37200004, "Meta"} -> {{58591, 56441, 55878}, {"", ""}}, 
   {1930.0293, 0.37155885, "Meta"} -> {{132482, 122296, 136931}, {"", ""}}, 
   {1766.0236, 0.37175757, "Meta"} -> {{169667, 156977, 159539}, {"", ""}}, 
   {1438.0165, 0.37166667, "Meta"} -> {{228767, 204177, 203265}, {"", ""}}, 
   {1602.032, 0.37169698, "Meta"} -> {{210529, 210521, 207485}, {"", ""}}, 
   {2258.056, 0.37132356, "Meta"} -> {{51649, 48864, 52769}, {"", ""}}, 
   {2340.0415, 0.3715, "Meta"} -> {{70396, 61579, 73559}, {"", ""}}, 
   {1617.9949, 0.37353334, "Meta"} -> {{56974, 49524, 55029}, {"", ""}}, 
   {842.0098, 0.37212902, "Meta"} -> {{503429, 486256, 480423}, {"", ""}}, 
   {596.003, 0.3728823, "Meta"} -> {{1652293, 1586425, 1570904}, {"", ""}}, 
   {431.9965, 0.37666664, "Meta"} -> {{3087627, 2981648, 2913002}, {"", ""}}, 
   {1781.9979, 0.37309682, "Meta"} -> {{48385, 35495, 38579}, {"", ""}}, 
   {514.0034, 0.37308568, "Meta"} -> {{3225210, 3079693, 3084178}, {"", ""}}, 
   {267.9908, 0.3730278, "Meta"} -> {{6106289, 5859398, 5832425}, {"", ""}}, 
   {2110.02, 0.37291667, "Meta"} -> {{25559, 25080, 1}, {"", ""}}, 
   {1535.9908, 0.37340006, "Meta"} -> {{46592, 1, 42600}, {"", ""}}, 
   {1371.9957, 0.3735173, "Meta"} -> {{43643, 38546, 40036}, {"", ""}}, 
   {1864.011, 0.3730323, "Meta"} -> {{37955, 34409, 33848}, {"", ""}}, 
   {1699.9985, 0.3731875, "Meta"} -> {{48858, 1, 44642}, {"", ""}}, 
   {1946.0074, 0.37290323, "Meta"} -> {{34309, 35662, 36873}, {"", ""}}, 
   {2028.023, 0.37268, "Meta"} -> {{27375, 24932, 27792}, {"", ""}}, 
   {365.97, 0.37485716, "Meta"} -> {{152572, 143544, 137598}, {"", ""}}, 
   {1453.9904, 0.3735, "Meta"} -> {{47137, 1, 43603}, {"", ""}}, 
   {1207.9905, 0.37368754, "Meta"} -> {{23030, 21727, 23683}, {"", ""}}, 
   {447.9728, 0.37527272, "Meta"} -> {{244499, 226143, 227583}, {"", ""}}, 
   {1289.9849, 0.37362495, "Meta"} -> {{35390, 36767, 34230}, {"", ""}}, 
   {529.9721, 0.37509674, "Meta"} -> {{241765, 219671, 229869}, {"", ""}}, 
   {283.9663, 0.37641668, "Meta"} -> {{583231, 311181, 297363}, {"", ""}}, 
   {693.9824, 0.3773871, "Meta"} -> {{103760, 95324, 93610}, {"", ""}}, 
   {775.9853, 0.37764287, "Meta"} -> {{71407, 67822, 1}, {"", ""}}, 
   {611.9799, 0.37734482, "Meta"} -> {{147336, 138485, 137678}, {"", ""}}, 
   {857.9875, 0.3774839, "Meta"} -> {{51648, 47880, 48925}, {"", ""}}, 
   {1413.9979, 0.38107693, "Meta"} -> {{48287, 1, 43299}, {"", ""}}, 
   {1331.9816, 0.38222224, "Meta"} -> {{1, 1, 39939}, {"", ""}}, 
   {1495.995, 0.38175866, "Meta"} -> {{45066, 1, 43297}, {"", ""}}, 
   {1249.9858, 0.38258335, "Meta"} -> {{1, 48647, 1}, {"", ""}}, 
   {1167.9846, 0.38393104, "Meta"} -> {{37635, 37572, 34517}, {"", ""}}, 
   {571.9606, 0.3881667, "Meta"} -> {{215915, 204764, 198251}, {"", ""}}, 
   {489.9575, 0.38891178, "Meta"} -> {{295516, 299105, 294958}, {"", ""}}, 
   {407.9539, 0.38981822, "Meta"} -> {{349948, 351708, 347454}, {"", ""}}, 
   {325.9501, 0.3924723, "Meta"} -> {{266245, 258958, 248043}, {"", ""}}, 
   {465.9127, 0.39305556, "Meta"} -> {{231547, 223152, 216792}, {"", ""}}, 
   {259.9214, 0.39474198, "Meta"} -> {{155200, 1, 149077}, {"", ""}}, 
   {605.8735, 0.39525005, "Meta"} -> {{1, 98086, 116795}, {"", ""}}, 
   {243.9473, 0.3973611, "Meta"} -> {{1401041, 1399063, 1350760}, {"", ""}}, 
   {383.9092, 0.39772224, "Meta"} -> {{258400, 249109, 251374}, {"", ""}}, 
   {523.872, 0.3975429, "Meta"} -> {{169109, 165157, 153760}, {"", ""}}, 
   {581.8306, 0.40027776, "Meta"} -> {{141089, 155984, 142139}, {"", ""}}, 
   {639.7888, 0.40351427, "Meta"} -> {{137852, 127064, 121790}, {"", ""}}, 
   {441.8685, 0.4018334, "Meta"} -> {{239006, 243434, 239637}, {"", ""}}, 
   {697.7475, 0.40715998, "Meta"} -> {{107816, 104796, 1}, {"", ""}}, 
   {499.8273, 0.40608332, "Meta"} -> {{196186, 194969, 179188}, {"", ""}}, 
   {615.7448, 0.40847063, "Meta"} -> {{161894, 153241, 148725}, {"", ""}}, 
   {301.9058, 0.40786114, "Meta"} -> {{271574, 275816, 265463}, {"", ""}}, 
   {673.7031, 0.41129026, "Meta"} -> {{105218, 1, 100618}, {"", ""}}, 
   {359.8649, 0.41030556, "Meta"} -> {{200380, 207622, 199789}, {"", ""}}, 
   {417.8229, 0.4105714, "Meta"} -> {{234620, 233653, 227679}, {"", ""}}, 
   {755.7073, 0.41121435, "Meta"} -> {{69768, 79837, 69308}, {"", ""}}, 
   {475.7822, 0.41099995, "Meta"} -> {{158917, 172009, 153738}, {"", ""}}, 
   {575.7568, 0.41006452, "Meta"} -> {{25361, 21966, 24245}, {"", ""}}, 
   {219.9025, 0.4121111, "Meta"} -> {{505916, 492910, 491188}, {"", ""}}, 
   {651.6545, 0.41184002, "Meta"} -> {{64832, 46771, 59253}, 
     {"Cer(d18:0/24:0) [ C42 H85 N O3, db=58.22, overall=29.11, Lipid \
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    {{98923, 95670, 90285}, {"", ""}}, {277.8617, 0.41355553, "Meta"} -> 
    {{1, 274643, 228718}, {"", ""}}, {161.944, 0.4130858, "Meta"} -> 
    {{257666, 263207, 259034}, {"", ""}}, {607.0989, 0.41675, "Meta"} -> 
    {{24803, 25948, 27578}, {"", ""}}, {525.0954, 0.41841662, "Meta"} -> 
    {{49438, 52053, 57917}, {"Sertraline Carbamic acid glucuronide [ C24 H25 \
Cl2 N O8, db=66.50, overall=33.25, KEGG ID=, CAS ID=119733-44-7 ]", 
      "119733-44-7"}}, {377.0618, 0.41700003, "Meta"} -> 
    {{24726, 25468, 27621}, {"", ""}}, {295.0595, 0.42075, "Meta"} -> 
    {{126094, 134411, 154772}, {"5-Aminoimidazole ribonucleotide [ C8 H14 N3 \
O7 P, db=61.18, overall=30.59, HMP ID=HMDB01235, KEGG ID= ]", ""}}, 
   {361.0891, 0.4204722, "Meta"} -> {{271387, 282285, 315114}, 
     {"His Cys Cys [ C12 H19 N5 O4 S2, db=74.60, overall=37.30 ]", ""}}, 
   {443.0923, 0.42244443, "Meta"} -> {{57154, 56586, 67660}, {"", ""}}, 
   {536.1894, 0.42578793, "Meta"} -> {{32045, 34393, 49551}, {"", ""}}, 
   {342.008, 0.44034287, "Meta"} -> {{43097, 46283, 40051}, {"", ""}}, 
   {279.085, 0.43405554, "Meta"} -> {{967051, 1085959, 1290253}, {"", ""}}, 
   {284.0491, 0.4420606, "Meta"} -> {{52034, 54582, 49107}, {"", ""}}, 
   {103.0999, 0.44377777, "Meta"} -> {{141724, 151829, 174862}, {"", ""}}, 
   {481.9704, 0.44212005, "Meta"} -> {{1, 6214, 1}, {"", ""}}, 
   {183.0875, 0.44372222, "Meta"} -> {{377390, 399665, 347636}, {"", ""}}, 
   {224.0281, 0.4447647, "Meta"} -> {{121404, 1, 113914}, 
     {"Cys Cys [ C6 H12 N2 O3 S2, db=64.23, overall=32.11 ]", ""}}, 
   {457.0211, 0.45377782, "Meta"} -> {{10147, 1, 11934}, {"", ""}}, 
   {135.0411, 0.4499394, "Meta"} -> {{853817, 921471, 761363}, {"", ""}}, 
   {262.078, 0.45158333, "Meta"} -> {{318332, 320779, 301106}, 
     {"Asp Glu [ C9 H14 N2 O7, db=81.80, overall=40.90 ]", ""}}, 
   {202.0446, 0.45386112, "Meta"} -> {{6300521, 6302538, 5800022}, {"", ""}}, 
   {159.0275, 0.45163885, "Meta"} -> {{97062, 103513, 95908}, {"", ""}}, 
   {220.1785, 0.4556666, "Meta"} -> {{132736, 137466, 143098}, {"", ""}}, 
   {404.092, 0.45348275, "Meta"} -> {{34656, 1, 33555}, {"", ""}}, 
   {315.1044, 0.4536389, "Meta"} -> {{247406, 255881, 195326}, {"", ""}}, 
   {320.036, 0.4549231, "Meta"} -> {{31033, 1, 26093}, {"", ""}}, 
   {382.1086, 0.45669445, "Meta"} -> {{2014199, 2096743, 1974298}, {"", ""}}, 
   {396.1638, 0.4501666, "Meta"} -> {{8894, 1, 9874}, 
     {"Asn Tyr Thr [ C17 H24 N4 O7, db=83.05, overall=41.53 ]", ""}}, 
   {113.059, 0.45647225, "Meta"} -> {{664456, 666051, 683400}, 
     {"Creatinine [ C4 H7 N3 O, db=69.36, overall=34.68, KEGG ID=C00791, CAS \
ID=60-27-5 ]", "60-27-5"}}, {339.0908, 0.4577187, "Meta"} -> 
    {{20465, 21400, 18033}, 
     {"Cys Ser Met [ C11 H21 N3 O5 S2, db=57.09, overall=28.54 ]", ""}}, 
   {337.0433, 0.45780003, "Meta"} -> {{123745, 118000, 150894}, 
     {"Famotidine [ C8 H15 N7 O2 S3, db=57.43, overall=28.71, KEGG ID=C06994, \
CAS ID=76824-35-6 ]", "76824-35-6"}}, {114.0292, 0.45835483, "Meta"} -> 
    {{117168, 94516, 121503}, {"", ""}}, {174.1111, 0.46506065, "Meta"} -> 
    {{94831, 92232, 78451}, {"Arginine [ C6 H14 N4 O2, db=51.57, \
overall=25.79, KEGG ID=C00062, CAS ID=74-79-3 ]", "74-79-3"}}, 
   {131.0692, 0.46048486, "Meta"} -> {{479468, 512490, 396604}, 
     {"Creatine [ C4 H9 N3 O2, db=99.16, overall=49.58, KEGG ID=C00300, CAS \
ID=6020-87-7 ]", "6020-87-7"}}, {317.9624, 0.46102777, "Meta"} -> 
    {{179278, 153359, 169896}, {"", ""}}, {260.0039, 0.4610556, "Meta"} -> 
    {{495065, 467461, 445763}, {"", ""}}, {139.0609, 0.45847225, "Meta"} -> 
    {{954567, 1052990, 964573}, {"", ""}}, {375.9207, 0.46166673, "Meta"} -> 
    {{136201, 116358, 133289}, {"", ""}}, {498.0259, 0.46341926, "Meta"} -> 
    {{1, 29381, 1}, {"", ""}}, {161.1053, 0.46408334, "Meta"} -> 
    {{1652135, 1805889, 1617104}, {"", ""}}, {366.1134, 0.4641667, "Meta"} -> 
    {{55372, 57972, 52800}, {"", ""}}, {440.0675, 0.46469444, "Meta"} -> 
    {{107155, 101178, 99547}, {"", ""}}, {175.0959, 0.4649032, "Meta"} -> 
    {{33493, 28691, 29065}, {"Citrulline [ C6 H13 N3 O3, db=47.39, \
overall=23.69, KEGG ID=C00327, CAS ID=372-75-8 ]", "372-75-8"}}, 
   {115.0636, 0.4639722, "Meta"} -> {{1037106, 1372696, 1293208}, 
     {"Proline [ C5 H9 N O2, db=87.30, overall=43.65, KEGG ID=C00148, CAS \
ID=147-85-3 ]", "147-85-3"}}, {256.1436, 0.4642592, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {399.0646, 0.4658, "Meta"} -> 
    {{42684, 42705, 39597}, {"", ""}}, {192.1473, 0.46303123, "Meta"} -> 
    {{69118, 70191, 65495}, {"", ""}}, {341.1066, 0.46715382, "Meta"} -> 
    {{1, 32876, 1}, 
     {"Tyr Cys Gly [ C14 H19 N3 O5 S, db=77.47, overall=38.73 ]", ""}}, 
   {248.1483, 0.46862853, "Meta"} -> {{70395, 66869, 63865}, {"", ""}}, 
   {159.1256, 0.47108328, "Meta"} -> {{252238, 250358, 230381}, 
     {"DL-2-Aminooctanoic acid [ C8 H17 N O2, db=86.92, overall=43.46, HMP \
ID=HMDB00991, KEGG ID= ]", ""}}, {60.0325, 0.47265622, "Meta"} -> 
    {{549532, 509252, 517935}, {"Urea [ C H4 N2 O, db=87.80, overall=43.90, \
KEGG ID=C00086, CAS ID=57-13-6 ]", "57-13-6"}}, 
   {297.1425, 0.47046667, "Meta"} -> {{59719, 226550, 62340}, 
     {"Ala His Ala [ C12 H19 N5 O4, db=91.10, overall=45.55 ]", ""}}, 
   {117.0784, 0.47286117, "Meta"} -> {{6242007, 6629802, 5937384}, 
     {"5-Aminopentanoic acid [ C5 H11 N O2, db=96.95, overall=48.48, HMP \
ID=HMDB03355, KEGG ID= ]", ""}}, {222.0852, 0.47502783, "Meta"} -> 
    {{66055, 73238, 62223}, {"", ""}}, {302.184, 0.47386664, "Meta"} -> 
    {{27747, 1, 25901}, {"", ""}}, {240.0955, 0.47499996, "Meta"} -> 
    {{55243, 58968, 56800}, {"", ""}}, {143.0945, 0.4738333, "Meta"} -> 
    {{2000462, 2024660, 1965641}, {"Triparanol [ C7 H13 N O2, db=69.83, \
overall=34.92, HMP ID=HMDB01378, KEGG ID= ]", ""}}, 
   {228.1473, 0.47896966, "Meta"} -> {{225178, 381712, 344290}, 
     {"Leu Pro [ C11 H20 N2 O3, db=61.48, overall=30.74 ]", ""}}, 
   {257.1031, 0.48044443, "Meta"} -> {{505921, 525467, 652071}, 
     {"5-Methylcytidine [ C10 H15 N3 O5, db=85.28, overall=42.64, HMP \
ID=HMDB00982, KEGG ID=, CAS ID=2140-61-6 ]", "2140-61-6"}}, 
   {71.074, 0.48255876, "Meta"} -> {{978397, 1080726, 1}, {"", ""}}, 
   {157.1101, 0.4915172, "Meta"} -> {{41983, 64833, 61122}, 
     {"Tranexamic acid [ C8 H15 N O2, db=82.75, overall=41.37, KEGG \
ID=C12535, CAS ID=1197-18-8 ]", "1197-18-8"}}, 
   {144.042, 0.48648572, "Meta"} -> {{91795, 28253, 100080}, 
     {"(E)-2-Methylglutaconic acid [ C6 H8 O4, db=81.83, overall=40.91, HMP \
ID=HMDB02266, KEGG ID= ]", ""}}, {240.1471, 0.48564285, "Meta"} -> 
    {{24821, 28729, 30415}, {"", ""}}, {162.0524, 0.48472, "Meta"} -> 
    {{87242, 112115, 95891}, {"2-Hydroxyadipic acid [ C6 H10 O5, db=74.88, \
overall=37.44, HMP ID=HMDB00321, KEGG ID= ]", ""}}, 
   {307.0891, 0.4947, "Meta"} -> {{26699, 25818, 22565}, 
     {"Succinyllipoic acid [ C12 H21 N O4 S2, db=34.62, overall=17.31, HMP \
ID=HMDB01012, KEGG ID= ]", ""}}, {247.9688, 0.49561107, "Meta"} -> 
    {{136878, 176804, 138858}, {"", ""}}, {198.0384, 0.50133336, "Meta"} -> 
    {{134856, 126377, 135835}, {"", ""}}, {168.0283, 0.50608325, "Meta"} -> 
    {{1722477, 1592383, 1449641}, {"Uric acid [ C5 H4 N4 O3, db=97.37, \
overall=48.69, KEGG ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, 
   {191.0248, 0.5051143, "Meta"} -> {{85468, 167307, 81368}, {"", ""}}, 
   {348.0916, 0.5082572, "Meta"} -> {{57011, 82939, 73370}, {"", ""}}, 
   {280.0422, 0.50655884, "Meta"} -> {{32898, 40479, 37833}, {"", ""}}, 
   {133.9952, 0.5028, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {129.0423, 0.50794446, "Meta"} -> {{342426, 374513, 459927}, 
     {"Pyroglutamic acid [ C5 H7 N O3, db=86.82, overall=43.41, KEGG \
ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, {309.1056, 0.5132, "Meta"} -> 
    {{30611, 1, 22672}, {"N-Acetyl-a-neuraminic acid [ C11 H19 N O9, \
db=51.18, overall=25.59, HMP ID=HMDB00773, KEGG ID= ]", ""}}, 
   {548.0497, 0.5119356, "Meta"} -> {{31746, 33078, 24338}, {"", ""}}, 
   {112.0135, 0.51612, "Meta"} -> {{974190, 1033058, 1018612}, {"", ""}}, 
   {396.0151, 0.5267038, "Meta"} -> {{53292, 33729, 28945}, {"", ""}}, 
   {393.0659, 0.53931427, "Meta"} -> {{69064, 42173, 81344}, 
     {"5-Hydroxythiabendazole glucuronide [ C16 H15 N3 O7 S, db=55.85, \
overall=27.93, KEGG ID=, CAS ID=6801-82-7 ]", "6801-82-7"}}, 
   {185.1047, 0.54106057, "Meta"} -> {{88456, 96744, 79819}, 
     {"Ecgonine [ C9 H15 N O3, db=82.32, overall=41.16, KEGG ID=, CAS \
ID=481-37-8 ]", "481-37-8"}}, {159.068, 0.54042304, "Meta"} -> 
    {{37800, 30529, 46794}, {"Indoleacetaldehyde [ C10 H9 N O, db=55.69, \
overall=27.85, HMP ID=HMDB01190, KEGG ID= ]", ""}}, 
   {132.0244, 0.54202855, "Meta"} -> {{128265, 132154, 1}, {"", ""}}, 
   {149.0507, 0.54125, "Meta"} -> {{1289721, 1328391, 1432730}, 
     {"Methionine [ C5 H11 N O2 S, db=99.04, overall=49.52, KEGG ID=C00073, \
CAS ID=63-68-3 ]", "63-68-3"}}, {279.1315, 0.54772216, "Meta"} -> 
    {{119712, 392723, 138941}, {"", ""}}, {164.047, 0.5517223, "Meta"} -> 
    {{235053, 243254, 251694}, {"p-Coumaric acid [ C9 H8 O3, db=86.35, \
overall=43.17, KEGG ID=, CAS ID=7400-08-0 ]", "7400-08-0"}}, 
   {181.0737, 0.5518889, "Meta"} -> {{2819272, 2797857, 2939004}, 
     {"Tyrosine [ C9 H11 N O3, db=99.43, overall=49.71, KEGG ID=C00082, CAS \
ID=60-18-4 ]", "60-18-4"}}, {122.0354, 0.55100006, "Meta"} -> 
    {{243836, 202570, 271325}, {"", ""}}, {321.1047, 0.5580909, "Meta"} -> 
    {{82282, 130022, 89668}, {"", ""}}, {311.1578, 0.55884373, "Meta"} -> 
    {{301334, 104744, 77432}, 
     {"Gly Val His [ C13 H21 N5 O4, db=80.96, overall=40.48 ]", ""}}, 
   {131.0946, 0.5592222, "Meta"} -> {{2.64*^7, 2.67*^7, 2.68*^7}, 
     {"Leucine [ C6 H13 N O2, db=99.82, overall=49.91, KEGG ID=C00123, CAS \
ID=61-90-5 ]", "61-90-5"}}, {85.0889, 0.5585, "Meta"} -> 
    {{3374294, 3307962, 3349453}, {"", ""}}, 
   {175.0582, 0.55870366, "Meta"} -> {{193836, 1, 177459}, 
     {"Guanidinosuccinic Acid [ C5 H9 N3 O4, db=74.59, overall=37.29, KEGG \
ID=C03139, CAS ID=6133-30-8 ]", "6133-30-8"}}, 
   {230.0767, 0.58708334, "Meta"} -> {{43981, 47774, 42440}, {"", ""}}, 
   {124.0136, 0.573853, "Meta"} -> {{113979, 46693, 103972}, {"", ""}}, 
   {262.1892, 0.5915186, "Meta"} -> {{1, 1, 128151}, {"", ""}}, 
   {315.1291, 0.6577931, "Meta"} -> {{24499, 80931, 29816}, {"", ""}}, 
   {181.0738, 0.63259375, "Meta"} -> {{1425703, 1532553, 1183064}, 
     {"Tyrosine [ C9 H11 N O3, db=99.69, overall=49.85, KEGG ID=C00082, CAS \
ID=60-18-4 ]", "60-18-4"}}, {321.1046, 0.64432, "Meta"} -> 
    {{66300, 1, 62324}, {"", ""}}, {262.1526, 0.64625, "Meta"} -> 
    {{22736, 24563, 23790}, {"", ""}}, {85.0891, 0.65061104, "Meta"} -> 
    {{3173946, 3740465, 3115213}, {"", ""}}, 
   {131.0943, 0.65075004, "Meta"} -> {{2.55*^7, 2.75*^7, 2.49*^7}, 
     {"Leucine [ C6 H13 N O2, db=98.20, overall=49.10, KEGG ID=C00123, CAS \
ID=61-90-5 ]", "61-90-5"}}, {184.0232, 0.6469033, "Meta"} -> 
    {{536865, 516006, 1}, {"", ""}}, {396.0152, 0.65655553, "Meta"} -> 
    {{57820, 53256, 55052}, {"", ""}}, {198.0385, 0.6591563, "Meta"} -> 
    {{80056, 69532, 102500}, {"", ""}}, {366.1426, 0.73793095, "Meta"} -> 
    {{1, 138657, 100963}, {"", ""}}, {564.0432, 0.6553846, "Meta"} -> 
    {{20917, 22672, 1}, {"", ""}}, {168.0284, 0.66358334, "Meta"} -> 
    {{3006945, 2768218, 3421483}, {"Uric acid [ C5 H4 N4 O3, db=99.35, \
overall=49.68, KEGG ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, 
   {352.0513, 0.6635001, "Meta"} -> {{117347, 115578, 108909}, {"", ""}}, 
   {191.0249, 0.6656572, "Meta"} -> {{203217, 494732, 295126}, {"", ""}}, 
   {176.0948, 0.66323525, "Meta"} -> {{65444, 59904, 60604}, 
     {"Serotonin [ C10 H12 N2 O, db=81.86, overall=40.93, KEGG ID=C00780, CAS \
ID=50-67-9 ]", "50-67-9"}}, {343.1261, 0.6673332, "Meta"} -> 
    {{36727, 82656, 32118}, {"b-D-Glucopyranosiduronic acid [ C15 H21 N O8, \
db=84.47, overall=42.23, KEGG ID=, CAS ID=33150-82-2 ]", "33150-82-2"}}, 
   {159.0679, 0.6692903, "Meta"} -> {{56803, 66062, 64274}, 
     {"Indoleacetaldehyde [ C10 H9 N O, db=58.61, overall=29.30, HMP \
ID=HMDB01190, KEGG ID= ]", ""}}, {542.0351, 0.6685769, "Meta"} -> 
    {{1, 27965, 9644}, {"cefonicid [ C18 H18 N6 O8 S3, db=52.28, \
overall=26.14, KEGG ID=, CAS ID= ]", ""}}, {267.1331, 0.6696945, "Meta"} -> 
    {{58922, 97659, 71289}, {"", ""}}, {346.076, 0.6595, "Meta"} -> 
    {{27271, 27258, 39285}, {"", ""}}, {366.0667, 0.6683939, "Meta"} -> 
    {{28600, 22540, 23376}, {"", ""}}, {348.0913, 0.6686563, "Meta"} -> 
    {{47190, 65632, 45267}, {"", ""}}, {478.0537, 0.6733429, "Meta"} -> 
    {{17398, 36700, 28789}, {"", ""}}, {129.0423, 0.67652774, "Meta"} -> 
    {{566680, 333863, 528810}, {"Pyroglutamic acid [ C5 H7 N O3, db=60.99, \
overall=30.50, KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {297.0706, 0.67399997, "Meta"} -> {{25253, 1, 23075}, {"", ""}}, 
   {414.0701, 0.68071425, "Meta"} -> {{23600, 19307, 19830}, {"", ""}}, 
   {104.0473, 0.7109601, "Meta"} -> {{126882, 1, 1594463}, 
     {"a-hydroxybutyrate [ C4 H8 O3, db=87.83, overall=43.92, KEGG ID=, CAS \
ID= ]", ""}}, {293.1474, 0.70211107, "Meta"} -> {{794493, 2336171, 734322}, 
     {"", ""}}, {124.0136, 0.698871, "Meta"} -> {{114867, 1, 123237}, 
     {"", ""}}, {244.0693, 0.69808567, "Meta"} -> {{87989, 100369, 96995}, 
     {"Uridine [ C9 H12 N2 O6, db=80.06, overall=40.03, KEGG ID=C00299, CAS \
ID=58-96-8 ]", "58-96-8"}}, {228.1472, 0.70621204, "Meta"} -> 
    {{289573, 250252, 268010}, 
     {"Leu Pro [ C11 H20 N2 O3, db=86.33, overall=43.17 ]", ""}}, 
   {246.1213, 0.72223526, "Meta"} -> {{67979, 65161, 67792}, 
     {"Ile Asp [ C10 H18 N2 O5, db=79.46, overall=39.73 ]", ""}}, 
   {126.0292, 0.7198077, "Meta"} -> {{1548220, 1586449, 1}, {"", ""}}, 
   {347.9839, 0.72131026, "Meta"} -> {{49010, 55185, 43571}, {"", ""}}, 
   {252.1109, 0.7333571, "Meta"} -> {{194617, 173617, 197566}, 
     {"Tyr Ala [ C12 H16 N2 O4, db=96.68, overall=48.34 ]", ""}}, 
   {338.0838, 0.75042427, "Meta"} -> {{81443, 1, 89985}, {"", ""}}, 
   {148.0112, 0.75524235, "Meta"} -> {{159091, 149448, 169200}, {"", ""}}, 
   {136.0384, 0.7559166, "Meta"} -> {{1598766, 2048051, 2380993}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=95.18, overall=47.59, KEGG ID=C00262, \
CAS ID=68-94-0 ]", "68-94-0"}}, {277.0016, 0.76956004, "Meta"} -> 
    {{127111, 1, 109143}, {"", ""}}, {161.0507, 0.7749999, "Meta"} -> 
    {{359558, 3444202, 551151}, {"", ""}}, {301.1176, 0.832861, "Meta"} -> 
    {{40269, 56321, 45022}, {"", ""}}, {263.0468, 0.8569698, "Meta"} -> 
    {{51845, 44655, 36805}, {"Normetanephrine sulfate [ C9 H13 N O6 S, \
db=62.13, overall=31.07, KEGG ID=, CAS ID=1215-29-8 ]", "1215-29-8"}}, 
   {427.2543, 0.88016677, "Meta"} -> {{46120, 20465, 72635}, {"", ""}}, 
   {533.1839, 0.8766785, "Meta"} -> {{44314, 34173, 41555}, {"", ""}}, 
   {208.0844, 0.8729697, "Meta"} -> {{1, 897711, 920916}, 
     {"Kynurenine [ C10 H12 N2 O3, db=98.79, overall=49.40, KEGG ID=C00328, \
CAS ID=343-65-7 ]", "343-65-7"}}, {310.1159, 0.87493944, "Meta"} -> 
    {{34112, 42432, 56007}, 
     {"Tyr Glu [ C14 H18 N2 O6, db=80.16, overall=40.08 ]", ""}}, 
   {130.0417, 0.889875, "Meta"} -> {{357167, 1, 353253}, {"", ""}}, 
   {119.0736, 0.8910293, "Meta"} -> {{7666860, 8225190, 7638262}, {"", ""}}, 
   {165.0784, 0.88927776, "Meta"} -> {{4.17*^7, 4.42*^7, 4.28*^7}, 
     {"2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, db=96.07, \
overall=48.03, KEGG ID=, CAS ID=18259-42-2 ]", "18259-42-2"}}, 
   {102.047, 0.8869601, "Meta"} -> {{1, 73521, 70388}, {"", ""}}, 
   {268.0808, 0.88524127, "Meta"} -> {{93116, 1, 100002}, 
     {"Inosine [ C10 H12 N4 O5, db=85.71, overall=42.86, KEGG ID=C00294, CAS \
ID=58-63-9 ]", "58-63-9"}}, {518.1942, 0.9226364, "Meta"} -> 
    {{30418, 29277, 32733}, {"Gossypol [ C30 H30 O8, db=74.85, overall=37.42, \
Lipid ID=LMPR01030019, KEGG ID=C07667 ]", ""}}, 
   {359.1316, 0.92291445, "Meta"} -> {{41029, 47446, 44930}, 
     {"Asp Glu Pro [ C14 H21 N3 O8, db=49.24, overall=24.62 ]", ""}}, 
   {358.1738, 0.921639, "Meta"} -> {{66595, 71180, 67238}, {"", ""}}, 
   {315.1679, 0.92541665, "Meta"} -> {{4305078, 4386730, 4710099}, {"", ""}}, 
   {246.1213, 0.9403793, "Meta"} -> {{51501, 49463, 53567}, 
     {"Ile Asp [ C10 H18 N2 O5, db=75.39, overall=37.69 ]", ""}}, 
   {348.1567, 0.99688005, "Meta"} -> {{203963, 194791, 211157}, 
     {"Ala Arg Cys [ C12 H24 N6 O4 S, db=90.69, overall=45.35 ]", ""}}, 
   {150.0887, 1.0149167, "Meta"} -> {{1.03*^7, 9015184, 9810969}, {"", ""}}, 
   {380.1186, 1.0151613, "Meta"} -> {{157851, 1, 1}, 
     {"Cys Gln Met [ C13 H24 N4 O5 S2, db=70.63, overall=35.32 ]", ""}}, 
   {88.0527, 1.0138214, "Meta"} -> {{1, 991765, 1073080}, 
     {"Acetoin [ C4 H8 O2, db=98.92, overall=49.46, KEGG ID=C00810, CAS \
ID=513-86-0 ]", "513-86-0"}}, {132.0785, 1.0133704, "Meta"} -> 
    {{399701, 344079, 371326}, {"2-Hydroxy-4-methylvaleric acid [ C6 H12 O3, \
db=96.66, overall=48.33, KEGG ID=, CAS ID=13748-90-8 ]", "13748-90-8"}}, 
   {248.0572, 1.018941, "Meta"} -> {{1165062, 1010183, 1069675}, 
     {"Pyridoxamine Phosphate [ C8 H13 N2 O5 P, db=92.97, overall=46.48, KEGG \
ID=C00647, CAS ID=529-96-4 ]", "529-96-4"}}, {264.0292, 1.0199355, "Meta"} -> 
    {{393367, 222006, 252913}, {"(3-Methoxy-4-hydroxyphenyl)ethylene glycol \
sulfate [ C9 H12 O7 S, db=58.12, overall=29.06, KEGG ID=, CAS ID=3415-67-6 ]"\
, "3415-67-6"}}, {239.9853, 1.04124, "Meta"} -> {{31246, 1, 1}, {"", ""}}, 
   {210.1212, 1.0249231, "Meta"} -> {{341153, 1, 348555}, {"", ""}}, 
   {338.1254, 1.0379394, "Meta"} -> {{700359, 561070, 674329}, {"", ""}}, 
   {353.0898, 1.0451715, "Meta"} -> {{193807, 170619, 207700}, 
     {"Acenocoumarol [ C19 H15 N O6, db=85.70, overall=42.85, KEGG ID=, CAS \
ID=152-72-7 ]", "152-72-7"}}, {327.1318, 1.0948066, "Meta"} -> 
    {{225583, 528496, 214115}, {"", ""}}, {231.1472, 1.1548711, "Meta"} -> 
    {{157228, 1, 130935}, {"Isobutyryl carnitine [ C11 H21 N O4, db=82.39, \
overall=41.19, KEGG ID=, CAS ID=25518-49-4 ]", "25518-49-4"}}, 
   {354.1791, 1.2549354, "Meta"} -> {{608951, 592505, 576357}, {"", ""}}, 
   {291.0178, 1.2728126, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {276.0544, 1.2674193, "Meta"} -> {{31093, 22647, 1}, {"", ""}}, 
   {216.0308, 1.2762144, "Meta"} -> {{83312, 75639, 71456}, {"", ""}}, 
   {117.0578, 1.2811853, "Meta"} -> {{1, 291872, 258162}, 
     {"Indole [ C8 H7 N, db=70.72, overall=35.36, KEGG ID=C00463, CAS \
ID=120-72-9 ]", "120-72-9"}}, {204.0894, 1.2753054, "Meta"} -> 
    {{6.9*^7, 7.63*^7, 7.02*^7}, {"Tryptophan [ C11 H12 N2 O2, db=95.92, \
overall=47.96, KEGG ID=C00078, CAS ID=73-22-3 ]", "73-22-3"}}, 
   {187.0628, 1.2740554, "Meta"} -> {{1.61*^7, 1.85*^7, 1.52*^7}, 
     {"Indoleacrylic acid [ C11 H9 N O2, db=97.72, overall=48.86, HMP \
ID=HMDB00734, KEGG ID=, CAS ID=1204-06-4 ]", "1204-06-4"}}, 
   {650.2158, 1.2843436, "Meta"} -> {{1, 92381, 55586}, {"", ""}}, 
   {302.0588, 1.2867241, "Meta"} -> {{1, 157959, 160623}, {"", ""}}, 
   {276.0543, 1.4092578, "Meta"} -> {{50019, 52393, 51943}, {"", ""}}, 
   {291.0175, 1.4124061, "Meta"} -> {{48263, 1, 1}, {"", ""}}, 
   {230.1631, 1.4211999, "Meta"} -> {{106337, 95639, 86702}, 
     {"Leu Val [ C11 H22 N2 O3, db=83.67, overall=41.83 ]", ""}}, 
   {280.1058, 1.5567034, "Meta"} -> {{1, 44515, 26075}, 
     {"Phe Asp [ C13 H16 N2 O5, db=70.05, overall=35.02 ]", ""}}, 
   {366.1426, 1.5676208, "Meta"} -> {{249275, 767999, 1}, {"", ""}}, 
   {157.11, 1.5776898, "Meta"} -> {{1, 64900, 59129}, 
     {"Tranexamic acid [ C8 H15 N O2, db=74.57, overall=37.29, KEGG \
ID=C12535, CAS ID=1197-18-8 ]", "1197-18-8"}}, 
   {219.1104, 1.6220001, "Meta"} -> {{51019, 45391, 39982}, 
     {"Pantothenic Acid [ C9 H17 N O5, db=55.18, overall=27.59, KEGG ID=, CAS \
ID=137-08-6 ]", "137-08-6"}}, {260.1369, 1.7801199, "Meta"} -> 
    {{188152, 180078, 135156}, 
     {"Glu Leu [ C11 H20 N2 O5, db=77.86, overall=38.93 ]", ""}}, 
   {208.0161, 1.9748787, "Meta"} -> {{1, 1, 338672}, {"", ""}}, 
   {260.1368, 1.9889677, "Meta"} -> {{177081, 187361, 167423}, 
     {"Glu Leu [ C11 H20 N2 O5, db=90.71, overall=45.35 ]", ""}}, 
   {131.0368, 2.0663033, "Meta"} -> {{442775, 677976, 511551}, {"", ""}}, 
   {613.3187, 2.414278, "Meta"} -> {{153863, 189825, 166707}, {"", ""}}, 
   {294.1216, 2.470125, "Meta"} -> {{45351, 47574, 43235}, 
     {"Aspartame [ C14 H18 N2 O5, db=72.39, overall=36.19, HMP ID=HMDB01894, \
KEGG ID= ]", ""}}, {245.1627, 2.565185, "Meta"} -> 
    {{492583, 1, 478887}, {"2-Methylbutyroylcarnitine [ C12 H23 N O4, \
db=86.34, overall=43.17, HMP ID=HMDB00378, KEGG ID= ]", ""}}, 
   {246.1366, 2.6443236, "Meta"} -> {{225780, 144222, 137399}, {"", ""}}, 
   {159.1255, 2.8531144, "Meta"} -> {{1, 158539, 145267}, 
     {"DL-2-Aminooctanoic acid [ C8 H17 N O2, db=83.22, overall=41.61, HMP \
ID=HMDB00991, KEGG ID= ]", ""}}, {294.2798, 2.8666072, "Meta"} -> 
    {{205665, 31691, 70284}, {"", ""}}, {129.1512, 2.8755276, "Meta"} -> 
    {{1.58*^7, 6476839, 8875313}, {"", ""}}, {179.0578, 2.9460568, "Meta"} -> 
    {{1613910, 1796170, 1574366}, {"5,8-Dihydroxy-3,4-dihydrocarbostyril [ C9 \
H9 N O3, db=94.87, overall=47.43, KEGG ID=, CAS ID=59430-56-7 ]", 
      "59430-56-7"}}, {457.2172, 3.21976, "Meta"} -> 
    {{35340, 40819, 39784}, 
     {"Leu Tyr Tyr [ C24 H31 N3 O6, db=60.12, overall=30.06 ]", ""}}, 
   {113.0839, 3.4427686, "Meta"} -> {{24027, 1, 85108}, {"", ""}}, 
   {457.2171, 3.449129, "Meta"} -> {{51171, 46433, 52870}, 
     {"Leu Tyr Tyr [ C24 H31 N3 O6, db=66.31, overall=33.16 ]", ""}}, 
   {353.0194, 3.4831946, "Meta"} -> {{44684, 38427, 32628}, 
     {"H 152/66 [ C16 H13 Cl2 N O4, db=34.19, overall=17.09, KEGG ID=, CAS \
ID=91854-02-3 ]", "91854-02-3"}}, {180.0646, 3.4828331, "Meta"} -> 
    {{730939, 786630, 784483}, {"Paraxanthine [ C7 H8 N4 O2, db=97.04, \
overall=48.52, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {338.0584, 3.4828844, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {184.1207, 3.5528529, "Meta"} -> {{227480, 251890, 240260}, {"", ""}}, 
   {286.0929, 3.6669033, "Meta"} -> {{241855, 257767, 245150}, 
     {"5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin [ C15 H14 \
N2 O4, db=80.32, overall=40.16, KEGG ID=, CAS ID=28129-90-0 ]", 
      "28129-90-0"}}, {262.1315, 3.6955454, "Meta"} -> 
    {{74332, 74191, 78865}, 
     {"Pro Phe [ C14 H18 N2 O3, db=79.05, overall=39.52 ]", ""}}, 
   {484.3516, 3.714577, "Meta"} -> {{41737, 36066, 1}, 
     {"(22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimethyl-23,24-tetradehydro-\
20-epivitamin D3 / (22S)-1alph [ C31 H48 O4, db=68.14, overall=34.07, Lipid \
ID=LMST03020487, KEGG ID= ]", ""}}, {264.1109, 3.7114289, "Meta"} -> 
    {{868721, 990415, 707682}, {"", ""}}, {300.9474, 3.7771254, "Meta"} -> 
    {{1, 1, 52680}, {"", ""}}, {285.9843, 3.784971, "Meta"} -> 
    {{150517, 163579, 147325}, {"", ""}}, {406.0258, 3.779679, "Meta"} -> 
    {{74238, 1, 1}, {"", ""}}, {346.0054, 3.7820883, "Meta"} -> 
    {{321087, 312313, 305990}, {"", ""}}, {390.0608, 3.9207745, "Meta"} -> 
    {{63218, 41818, 55095}, {"", ""}}, {194.1056, 3.9298828, "Meta"} -> 
    {{78987, 84944, 89242}, {"3-Hydroxy-N-glycyl-2,6-xylidine \
(3-Hydroxyglycinexylidide) [ C10 H14 N2 O2, db=79.20, overall=39.60, KEGG \
ID=, CAS ID=112606-87-8 ]", "112606-87-8"}}, {123.0431, 3.9404666, "Meta"} -> 
    {{67179, 83054, 74975}, {"Pyrazinamide [ C5 H5 N3 O, db=73.22, \
overall=36.61, KEGG ID=C01956, CAS ID=98-96-4 ]", "98-96-4"}}, 
   {180.0647, 3.9408891, "Meta"} -> {{3170573, 3667593, 3460856}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=98.66, overall=49.33, KEGG ID=, CAS \
ID=611-59-6 ]", "611-59-6"}}, {353.02, 3.9439723, "Meta"} -> 
    {{56611, 51649, 46350}, {"H 152/66 [ C16 H13 Cl2 N O4, db=40.19, \
overall=20.09, KEGG ID=, CAS ID=91854-02-3 ]", "91854-02-3"}}, 
   {338.06, 3.9440384, "Meta"} -> {{1, 1, 29654}, {"1-(5'-Phosphoribosyl)-5-a\
mino-4-imidazolecarboxamide (AICAR) [ C9 H15 N4 O8 P, db=56.82, \
overall=28.41, KEGG ID=C04677, CAS ID=3031-94-5 ]", "3031-94-5"}}, 
   {282.0003, 4.0873055, "Meta"} -> {{235953, 262986, 236971}, {"", ""}}, 
   {244.1785, 4.1058927, "Meta"} -> {{71631, 72394, 59182}, 
     {"Leu Leu [ C12 H24 N2 O3, db=80.30, overall=40.15 ]", ""}}, 
   {315.2042, 4.138722, "Meta"} -> {{163354, 167086, 182319}, {"", ""}}, 
   {180.0646, 4.184583, "Meta"} -> {{647142, 655400, 633743}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=96.10, overall=48.05, KEGG ID=, CAS \
ID=611-59-6 ]", "611-59-6"}}, {196.1205, 4.4604373, "Meta"} -> 
    {{22105, 23177, 1}, {"", ""}}, {259.1781, 4.5265555, "Meta"} -> 
    {{39567, 43178, 35122}, {"L-Glutamic acid dibutyl ester [ C13 H25 N O4, \
db=69.80, overall=34.90, KEGG ID=, CAS ID=4261-76-1 ]", "4261-76-1"}}, 
   {278.1625, 4.5463552, "Meta"} -> {{46337, 46476, 45848}, 
     {"Phe Leu [ C15 H22 N2 O3, db=77.05, overall=38.53 ]", ""}}, 
   {196.1206, 4.620389, "Meta"} -> {{102201, 87998, 64626}, {"", ""}}, 
   {145.0523, 4.6313715, "Meta"} -> {{150157, 207535, 174188}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=73.77, overall=36.88, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {221.0685, 4.632059, "Meta"} -> 
    {{53344, 61694, 40358}, {"5-Carboxymethoxy-3,4-dihydrocarbostyril [ C11 \
H11 N O4, db=64.45, overall=32.22, KEGG ID=, CAS ID=58898-50-3 ]", 
      "58898-50-3"}}, {399.1795, 4.9157567, "Meta"} -> 
    {{37066, 38804, 39157}, 
     {"Tyr Ala Phe [ C21 H25 N3 O5, db=71.49, overall=35.75 ]", ""}}, 
   {185.1049, 4.9669666, "Meta"} -> {{32181, 41990, 41144}, 
     {"Ecgonine [ C9 H15 N O3, db=77.31, overall=38.66, KEGG ID=, CAS \
ID=481-37-8 ]", "481-37-8"}}, {649.3074, 5.013072, "Meta"} -> 
    {{1, 11021, 1}, {"", ""}}, {278.163, 5.0759177, "Meta"} -> 
    {{173772, 187082, 181108}, 
     {"Phe Leu [ C15 H22 N2 O3, db=99.27, overall=49.64 ]", ""}}, 
   {535.2641, 5.1008615, "Meta"} -> {{51905, 54831, 50681}, {"", ""}}, 
   {904.4772, 5.3270283, "Meta"} -> {{1284892, 1374055, 1315869}, {"", ""}}, 
   {145.0523, 5.4314723, "Meta"} -> {{164544, 222113, 216244}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=84.42, overall=42.21, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {129.0576, 5.434444, "Meta"} -> 
    {{374101, 440144, 453357}, {"", ""}}, {273.0317, 5.4347143, "Meta"} -> 
    {{29411, 22260, 24268}, {"", ""}}, {175.0629, 5.4345837, "Meta"} -> 
    {{364141, 331426, 268113}, {"3-Indoleacetic Acid [ C10 H9 N O2, db=84.76, \
overall=42.38, KEGG ID=C00954, CAS ID=87-51-4 ]", "87-51-4"}}, 
   {163.063, 5.4345, "Meta"} -> {{35508, 41402, 39944}, 
     {"p-Acetaminobenzaldehyde [ C9 H9 N O2, db=64.35, overall=32.17, KEGG \
ID=, CAS ID=122-85-0 ]", "122-85-0"}}, {317.1736, 5.4687505, "Meta"} -> 
    {{52864, 48101, 47203}, 
     {"Leu Trp [ C17 H23 N3 O3, db=81.63, overall=40.81 ]", ""}}, 
   {780.393, 5.47776, "Meta"} -> {{53609, 59933, 60104}, 
     {"25-O-Desacetylrifampin [ C41 H56 N4 O11, db=84.35, overall=42.18, KEGG \
ID=, CAS ID=16783-99-6 ]", "16783-99-6"}}, {506.2009, 5.4841557, "Meta"} -> 
    {{51283, 59181, 50190}, {"", ""}}, {351.1581, 5.5261106, "Meta"} -> 
    {{409974, 414609, 358612}, 
     {"Trp Phe [ C20 H21 N3 O3, db=99.58, overall=49.79 ]", ""}}, 
   {462.2364, 5.543243, "Meta"} -> {{39473, 37300, 32444}, {"", ""}}, 
   {119.0735, 5.541345, "Meta"} -> {{198630, 203705, 194911}, {"", ""}}, 
   {312.1467, 5.5432773, "Meta"} -> {{7995775, 8767442, 8154717}, 
     {"Phe Phe [ C18 H20 N2 O3, db=95.14, overall=47.57 ]", ""}}, 
   {112.0524, 5.5669603, "Meta"} -> {{46774, 53212, 34455}, 
     {"3,5-hexadienoic acid [ C6 H8 O2, db=60.24, overall=30.12, Lipid ID=, \
KEGG ID= ]", ""}}, {415.2207, 5.670666, "Meta"} -> 
    {{1, 1, 1}, {"Phe Leu His [ C21 H29 N5 O4, db=66.52, overall=33.26 ]", 
      ""}}, {145.0523, 5.7114286, "Meta"} -> {{48458, 39592, 54838}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=58.30, overall=29.15, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {470.2164, 5.740111, "Meta"} -> 
    {{90952, 104124, 98621}, {"", ""}}, {486.1287, 5.7655144, "Meta"} -> 
    {{46400, 58575, 39246}, {"", ""}}, {814.2692, 5.7653933, "Meta"} -> 
    {{29812, 38067, 31084}, {"", ""}}, {352.0723, 5.766555, "Meta"} -> 
    {{170677, 185972, 167919}, {"Griseofulvin [ C17 H17 Cl O6, db=62.45, \
overall=31.22, KEGG ID=C06686, CAS ID=126-07-8 ]", "126-07-8"}}, 
   {561.114, 5.765363, "Meta"} -> {{29809, 31496, 25150}, {"", ""}}, 
   {367.0347, 5.766611, "Meta"} -> {{183002, 167603, 146613}, 
     {"H 167/87 [ C17 H15 Cl2 N O4, db=30.19, overall=15.10, KEGG ID=, CAS \
ID=91854-01-2 ]", "91854-01-2"}}, {137.0587, 5.7666464, "Meta"} -> 
    {{166538, 189079, 189726}, {"Isoniazid [ C6 H7 N3 O, db=85.82, \
overall=42.91, KEGG ID=C07054, CAS ID=54-85-3 ]", "54-85-3"}}, 
   {680.2204, 5.7653627, "Meta"} -> {{35238, 46911, 38749}, {"", ""}}, 
   {194.0796, 5.7665, "Meta"} -> {{1.37*^7, 1.43*^7, 1.3*^7}, 
     {"D-Glucoside [ C7 H14 O6, db=97.63, overall=48.82, HMP ID=HMDB03570, \
KEGG ID= ]", ""}}, {292.0482, 5.7668047, "Meta"} -> 
    {{71347, 80025, 68252}, {"", ""}}, {427.0664, 5.7660594, "Meta"} -> 
    {{33630, 32191, 26772}, {"", ""}}, {308.021, 5.7663703, "Meta"} -> 
    {{33506, 29235, 1}, {"", ""}}, {336.0987, 5.766, "Meta"} -> 
    {{28189, 32596, 25036}, {"", ""}}, {339.0394, 5.7657404, "Meta"} -> 
    {{23485, 1, 17661}, {"", ""}}, {276.0943, 5.767443, "Meta"} -> 
    {{191991, 201303, 194409}, 
     {"Glu Glu [ C10 H16 N2 O7, db=91.86, overall=45.93 ]", ""}}, 
   {546.167, 5.766311, "Meta"} -> {{42292, 51378, 26941}, {"", ""}}, 
   {82.0146, 5.7676473, "Meta"} -> {{336023, 400188, 329432}, {"", ""}}, 
   {450.2112, 6.0146294, "Meta"} -> {{36005, 39769, 39155}, {"", ""}}, 
   {598.3831, 6.149971, "Meta"} -> {{82318, 70549, 69742}, {"", ""}}, 
   {210.1363, 6.1674, "Meta"} -> {{179636, 201277, 189212}, {"", ""}}, 
   {1076.5251, 6.1918607, "Meta"} -> {{511880, 588453, 539366}, {"", ""}}, 
   {285.1937, 6.2077217, "Meta"} -> {{413642, 414212, 334559}, {"", ""}}, 
   {413.1947, 6.402389, "Meta"} -> {{331442, 363215, 322852}, 
     {"Phe Phe Thr [ C22 H27 N3 O5, db=96.85, overall=48.42 ]", ""}}, 
   {210.1363, 6.4091425, "Meta"} -> {{105472, 127157, 91679}, {"", ""}}, 
   {171.1256, 6.4184237, "Meta"} -> {{555759, 395025, 1}, 
     {"Gabapentin [ C9 H17 N O2, db=89.41, overall=44.71, KEGG ID=C07018, CAS \
ID=60142-96-3 ]", "60142-96-3"}}, {225.134, 6.4274607, "Meta"} -> 
    {{191905, 202125, 170093}, {"", ""}}, {464.2267, 6.4558063, "Meta"} -> 
    {{31308, 29445, 29170}, {"", ""}}, {636.2752, 6.4700866, "Meta"} -> 
    {{59306, 67271, 63879}, 
     {" [ C34 H40 N2 O10, db=0.00, overall=30.97, mfg=61.94 ]", ""}}, 
   {401.8564, 6.4737997, "Meta"} -> {{88186, 96925, 75244}, {"", ""}}, 
   {1205.5684, 6.4744167, "Meta"} -> {{1117772, 1216984, 1116916}, {"", ""}}, 
   {650.291, 6.4855704, "Meta"} -> {{23968, 25712, 24444}, {"", ""}}, 
   {1072.4163, 6.52011, "Meta"} -> {{55560, 39857, 40733}, {"", ""}}, 
   {1019.5046, 6.519862, "Meta"} -> {{2143265, 2262837, 2165598}, {"", ""}}, 
   {339.8352, 6.519917, "Meta"} -> {{53919, 1, 55319}, {"", ""}}, 
   {370.2202, 6.5523853, "Meta"} -> {{1, 15639, 1}, {"", ""}}, 
   {393.1896, 6.6016774, "Meta"} -> {{31858, 33202, 29221}, 
     {"Phe Leu Asp [ C19 H27 N3 O6, db=93.55, overall=46.78 ]", ""}}, 
   {1262.5898, 6.6459446, "Meta"} -> {{729060, 843817, 749540}, {"", ""}}, 
   {748.3746, 6.6664577, "Meta"} -> {{198102, 230631, 215397}, {"", ""}}, 
   {467.5117, 6.6833715, "Meta"} -> {{26845, 27895, 15135}, {"", ""}}, 
   {449.8743, 6.681861, "Meta"} -> {{116922, 118843, 128028}, {"", ""}}, 
   {1349.622, 6.682221, "Meta"} -> {{969040, 1093485, 1001459}, {"", ""}}, 
   {462.5233, 6.6829696, "Meta"} -> {{46680, 60252, 43788}, {"", ""}}, 
   {467.8464, 6.68125, "Meta"} -> {{21624, 19447, 1}, {"", ""}}, 
   {457.2013, 6.682588, "Meta"} -> {{20539, 27349, 19867}, {"", ""}}, 
   {1076.5258, 6.7304854, "Meta"} -> {{29740, 33323, 27823}, {"", ""}}, 
   {298.1418, 6.74896, "Meta"} -> {{90269, 76356, 70449}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=73.54, overall=36.77, \
KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {1200.5566, 6.7732415, "Meta"} -> {{37350, 41634, 34836}, {"", ""}}, 
   {741.297, 6.7771387, "Meta"} -> {{65004, 73490, 66442}, {"", ""}}, 
   {189.0785, 6.956638, "Meta"} -> {{378049, 363303, 334698}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=94.09, overall=47.05, HMP \
ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {429.2361, 6.977999, "Meta"} -> {{69705, 61191, 56196}, 
     {"Pro Trp Lys [ C22 H31 N5 O4, db=90.19, overall=45.09 ]", ""}}, 
   {260.0935, 7.0326056, "Meta"} -> {{200042, 226557, 25393}, 
     {"Furafylline [ C12 H12 N4 O3, db=57.24, overall=28.62, KEGG ID=, CAS \
ID=80288-49-9 ]", "80288-49-9"}}, {179.1517, 7.0339313, "Meta"} -> 
    {{136123, 134851, 1}, {"", ""}}, {162.1254, 7.032972, "Meta"} -> 
    {{4216975, 4788796, 618589}, {"", ""}}, {386.884, 7.089772, "Meta"} -> 
    {{211880, 1, 96615}, {"", ""}}, {339.9438, 7.090166, "Meta"} -> 
    {{200657, 77155, 120837}, {"", ""}}, {165.9783, 7.0914993, "Meta"} -> 
    {{377168, 1, 161010}, {"", ""}}, {324.978, 7.0900297, "Meta"} -> 
    {{88452, 17737, 51492}, {"", ""}}, {389.8912, 7.089734, "Meta"} -> 
    {{134304, 1, 30109}, {"", ""}}, {554.8763, 7.0902586, "Meta"} -> 
    {{1, 142071, 384112}, {"", ""}}, {590.8546, 7.090121, "Meta"} -> 
    {{292445, 1, 13235}, {"", ""}}, {166.9861, 7.0904727, "Meta"} -> 
    {{9659624, 2770656, 5812697}, {"", ""}}, {280.9265, 7.090501, "Meta"} -> 
    {{197014, 65759, 1}, {"", ""}}, {264.9547, 7.0911846, "Meta"} -> 
    {{55078, 11517, 29301}, {"", ""}}, {395.8936, 7.0915, "Meta"} -> 
    {{89724, 51205, 77868}, {"", ""}}, {431.8628, 7.0915837, "Meta"} -> 
    {{71454, 1, 1}, {"", ""}}, {624.9684, 7.1091247, "Meta"} -> 
    {{41449, 1, 20676}, {"", ""}}, {534.1705, 7.1183324, "Meta"} -> 
    {{22950, 20718, 22453}, {"", ""}}, {354.0646, 7.1213336, "Meta"} -> 
    {{59436, 67622, 64813}, {"", ""}}, {238.0838, 7.121195, "Meta"} -> 
    {{662082, 694566, 682513}, {"Propanoic acid, \
2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- [ C12 H14 O5, db=99.24, \
overall=49.62, KEGG ID=, CAS ID=53564-64-0 ]", "53564-64-0"}}, 
   {278.0763, 7.119251, "Meta"} -> {{394165, 371158, 373619}, {"", ""}}, 
   {351.0169, 7.127134, "Meta"} -> {{30225, 40118, 27218}, {"", ""}}, 
   {1560.7216, 7.157438, "Meta"} -> {{30415, 26667, 23821}, {"", ""}}, 
   {941.4612, 7.1827216, "Meta"} -> {{121400, 131360, 114963}, {"", ""}}, 
   {299.2095, 7.264514, "Meta"} -> {{40339, 40015, 41609}, {"", ""}}, 
   {270.1572, 7.337296, "Meta"} -> {{38858, 46928, 42056}, {"", ""}}, 
   {280.1885, 7.331959, "Meta"} -> {{1, 37253, 47069}, {"", ""}}, 
   {361.1425, 7.353097, "Meta"} -> {{57909, 36561, 37368}, 
     {"N-Acetylnorfloxacin [ C18 H20 F N3 O4, db=74.33, overall=37.17, KEGG \
ID=, CAS ID=74011-56-6 ]", "74011-56-6"}}, {309.194, 7.3625283, "Meta"} -> 
    {{268870, 254529, 225458}, {"Nadolol [ C17 H27 N O4, db=98.01, \
overall=49.00, KEGG ID=C07249, CAS ID=42200-33-9 ]", "42200-33-9"}}, 
   {920.4221, 7.436666, "Meta"} -> {{117674, 125636, 121097}, {"", ""}}, 
   {287.2094, 7.4803905, "Meta"} -> {{150544, 154690, 120317}, 
     {"O-octanoyl-R-carnitine [ C15 H29 N O4, db=84.96, overall=42.48, Lipid \
ID=, KEGG ID=C02838 ]", ""}}, {206.1518, 7.485084, "Meta"} -> 
    {{141839, 92810, 1}, {"", ""}}, {174.0887, 7.533999, "Meta"} -> 
    {{586456, 764819, 280667}, {"2-Propylglutaric acid [ C8 H14 O4, db=96.02, \
overall=48.01, KEGG ID=, CAS ID=32806-62-5 ]", "32806-62-5"}}, 
   {142.0625, 7.5357056, "Meta"} -> {{156369, 211128, 52085}, 
     {"7-hydroxy-5-heptynoic acid [ C7 H10 O3, db=91.50, overall=45.75, Lipid \
ID=, KEGG ID= ]", ""}}, {833.3582, 7.620576, "Meta"} -> 
    {{142824, 164298, 123120}, {"", ""}}, {182.0914, 7.628904, "Meta"} -> 
    {{74284, 82344, 72225}, {"Dacarbazine [ C6 H10 N6 O, db=63.87, \
overall=31.94, KEGG ID=C06936, CAS ID=4342-03-4 ]", "3/4/42"}}, 
   {1389.6527, 7.619026, "Meta"} -> {{115218, 179908, 162069}, {"", ""}}, 
   {170.1415, 7.7676864, "Meta"} -> {{78030, 103202, 62397}, {"", ""}}, 
   {1193.519, 7.7542224, "Meta"} -> {{98931, 199407, 84178}, {"", ""}}, 
   {318.1216, 7.8365397, "Meta"} -> {{22855, 16785, 30356}, 
     {"Fluvoxamine acid [ C14 H17 F3 N2 O3, db=57.11, overall=28.55, KEGG \
ID=, CAS ID=84692-89-7 ]", "84692-89-7"}}, {432.8377, 7.851473, "Meta"} -> 
    {{36911, 38851, 27351}, {"", ""}}, {433.1729, 7.8523235, "Meta"} -> 
    {{26093, 26340, 21453}, {"", ""}}, {1245.5992, 7.851389, "Meta"} -> 
    {{2229033, 2754257, 2430946}, {"", ""}}, {415.2002, 7.8513994, "Meta"} -> 
    {{174663, 205895, 188434}, {"", ""}}, {428.1836, 7.8517575, "Meta"} -> 
    {{48425, 56423, 51755}, 
     {"Ser Trp His [ C20 H24 N6 O5, db=49.60, overall=24.80 ]", ""}}, 
   {1298.5118, 7.8517423, "Meta"} -> {{69339, 74254, 70441}, {"", ""}}, 
   {863.401, 7.871555, "Meta"} -> {{300857, 315574, 314747}, {"", ""}}, 
   {916.3146, 7.8727407, "Meta"} -> {{1, 24044, 1}, {"", ""}}, 
   {189.0785, 7.8873053, "Meta"} -> {{54086, 50725, 51217}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=68.09, overall=34.05, HMP \
ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {185.1414, 7.8914566, "Meta"} -> {{176500, 213096, 194303}, 
     {"N-methyl-Gabapentin [ C10 H19 N O2, db=74.42, overall=37.21, KEGG ID=, \
CAS ID=102937-74-6 ]", "102937-74-6"}}, {208.0732, 8.064808, "Meta"} -> 
    {{50903, 62079, 66943}, {"2,5-Dimethoxycinnamic acid [ C11 H12 O4, \
db=79.88, overall=39.94, HMP ID=HMDB02370, KEGG ID= ]", ""}}, 
   {318.1217, 8.112399, "Meta"} -> {{26833, 23315, 45677}, 
     {"Fluvoxamine acid [ C14 H17 F3 N2 O3, db=51.04, overall=25.52, KEGG \
ID=, CAS ID=84692-89-7 ]", "84692-89-7"}}, {186.1189, 8.142306, "Meta"} -> 
    {{469071, 419015, 309676}, {"", ""}}, {415.3079, 8.180323, "Meta"} -> 
    {{34570, 35705, 31680}, {"", ""}}, {301.2252, 8.18464, "Meta"} -> 
    {{87657, 97697, 98413}, {"", ""}}, {210.0888, 8.229969, "Meta"} -> 
    {{80277, 113319, 101531}, {"Methoxyhydroxymethylhydrocinnamic acid [ C11 \
H14 O4, db=76.31, overall=38.15, KEGG ID=, CAS ID=53832-93-2 ]", 
      "53832-93-2"}}, {619.2852, 8.249543, "Meta"} -> 
    {{51704, 84024, 58686}, 
     {" [ C34 H41 N3 O8, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {301.2252, 8.364499, "Meta"} -> {{53822, 41559, 44625}, {"", ""}}, 
   {224.1042, 8.49708, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {222.0865, 8.595155, "Meta"} -> {{68372, 73007, 45104}, {"", ""}}, 
   {538.2428, 8.63658, "Meta"} -> {{14948, 17205, 15439}, {"", ""}}, 
   {289.1346, 8.648037, "Meta"} -> {{29657, 45081, 89598}, {"", ""}}, 
   {332.1369, 8.648942, "Meta"} -> {{97406, 69871, 173778}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=83.61, \
overall=41.80, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {247.1604, 8.659072, "Meta"} -> {{84154, 98752, 85580}, {"", ""}}, 
   {1395.5562, 8.677833, "Meta"} -> {{1934424, 2721220, 2544265}, {"", ""}}, 
   {1237.4865, 8.679944, "Meta"} -> {{629231, 956490, 777515}, {"", ""}}, 
   {1290.4019, 8.679688, "Meta"} -> {{62616, 76887, 1}, {"", ""}}, 
   {1059.5352, 8.717444, "Meta"} -> {{143026, 289824, 163092}, {"", ""}}, 
   {201.1364, 8.713065, "Meta"} -> {{1, 26141, 31469}, 
     {"Capryloylglycine [ C10 H19 N O3, db=67.21, overall=33.61, HMP \
ID=HMDB00832, KEGG ID= ]", ""}}, {302.1881, 8.721181, "Meta"} -> 
    {{55423, 65807, 58460}, {"2-Methoxyestradiol [ C19 H26 O3, db=78.62, \
overall=39.31, HMP ID=HMDB00405, KEGG ID= ]", ""}}, 
   {496.2306, 8.726456, "Meta"} -> {{77963, 82652, 79738}, {"", ""}}, 
   {594.2002, 8.727458, "Meta"} -> {{18102, 15586, 14215}, {"", ""}}, 
   {332.1369, 8.780612, "Meta"} -> {{483357, 363080, 763005}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=85.03, \
overall=42.52, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {430.1107, 8.796733, "Meta"} -> {{23779, 22037, 46903}, {"", ""}}, 
   {300.1108, 8.80197, "Meta"} -> {{119458, 91660, 167853}, {"", ""}}, 
   {313.2252, 8.7906, "Meta"} -> {{171761, 188380, 143015}, {"", ""}}, 
   {286.2617, 8.82916, "Meta"} -> {{44232, 48508, 45160}, {"", ""}}, 
   {346.1526, 8.849605, "Meta"} -> {{36116, 30663, 53403}, {"", ""}}, 
   {215.1519, 8.867749, "Meta"} -> {{115892, 126285, 112181}, {"", ""}}, 
   {224.1021, 8.969444, "Meta"} -> {{1, 32273, 27624}, {"", ""}}, 
   {223.1208, 8.969972, "Meta"} -> {{41226, 43870, 43040}, 
     {"Rimiterol [ C12 H17 N O3, db=47.61, overall=23.81, KEGG ID=, CAS \
ID=32953-89-2 ]", "32953-89-2"}}, {196.1092, 8.977416, "Meta"} -> 
    {{1, 24620, 1}, {"Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- [ C11 H16 \
O3, db=59.23, overall=29.61, KEGG ID=, CAS ID=64111-04-2 ]", "64111-04-2"}}, 
   {253.165, 9.127285, "Meta"} -> {{212223, 211070, 195155}, {"", ""}}, 
   {199.157, 9.126751, "Meta"} -> {{518387, 538255, 543829}, {"", ""}}, 
   {1089.4962, 9.145666, "Meta"} -> {{247700, 296102, 292815}, {"", ""}}, 
   {346.1526, 9.17123, "Meta"} -> {{22468, 1, 36873}, {"", ""}}, 
   {181.1102, 9.210125, "Meta"} -> {{116121, 134585, 130462}, 
     {"2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- Metabolite [ C10 H15 N \
O2, db=76.98, overall=38.49, KEGG ID=, CAS ID= ]", ""}}, 
   {382.2563, 9.247962, "Meta"} -> {{75660, 72592, 1}, 
     {"C17 Sphingosine-1-phosphate [ C17 H39 N2 O5 P, db=59.88, \
overall=29.94, Lipid ID=LMSP01040004, KEGG ID= ]", ""}}, 
   {592.3259, 9.304143, "Meta"} -> {{21393, 31015, 24048}, {"", ""}}, 
   {298.1321, 9.309667, "Meta"} -> {{27644, 25040, 31876}, {"", ""}}, 
   {411.1791, 9.316696, "Meta"} -> {{19177, 21539, 35830}, 
     {"Tyr Val Met [ C19 H29 N3 O5 S, db=58.11, overall=29.06 ]", ""}}, 
   {332.1369, 9.345439, "Meta"} -> {{35028, 32482, 59243}, 
     {"Flecainide meta-O-dealkylated [ C15 H19 F3 N2 O3, db=61.66, \
overall=30.83, KEGG ID=, CAS ID=83526-33-4 ]", "83526-33-4"}}, 
   {189.1184, 9.360473, "Meta"} -> {{83914, 303184, 131993}, {"", ""}}, 
   {211.1571, 9.3698, "Meta"} -> {{59696, 53088, 56267}, {"", ""}}, 
   {196.1076, 9.373194, "Meta"} -> {{51157, 80641, 58386}, {"", ""}}, 
   {343.2259, 9.375806, "Meta"} -> {{26333, 554076, 33982}, 
     {"dibucaine [ C20 H29 N3 O2, db=78.46, overall=39.23, KEGG ID=, CAS \
ID=85-79-0 ]", "85-79-0"}}, {594.3415, 9.429972, "Meta"} -> 
    {{58006, 76157, 59976}, {"L-Urobilin [ C33 H46 N4 O6, db=97.19, \
overall=48.59, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {202.1203, 9.477693, "Meta"} -> {{47732, 1, 91764}, 
     {"sebacic acid [ C10 H18 O4, db=70.07, overall=35.04, KEGG ID=C08277, \
CAS ID=111-20-6 ]", "111-20-6"}}, {254.1153, 9.500695, "Meta"} -> 
    {{49910, 68953, 84311}, {"methyl \
4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ C13 H18 O5, \
db=77.56, overall=38.78, Lipid ID=, KEGG ID= ]", ""}}, 
   {640.2432, 9.499125, "Meta"} -> {{16566, 16406, 17202}, 
     {"5-Methyltetrahydropteroyltri-L-glutamate [ C25 H36 N8 O12, db=61.28, \
overall=30.64, KEGG ID=C04489, CAS ID= ]", ""}}, 
   {564.2544, 9.498889, "Meta"} -> {{54165, 57160, 48595}, {"", ""}}, 
   {330.2192, 9.5008, "Meta"} -> {{29493, 1, 27188}, 
     {"Gestodene metabolite 2 [ C21 H30 O3, db=68.18, overall=34.09, KEGG \
ID=, CAS ID= ]", ""}}, {262.12, 9.519543, "Meta"} -> 
    {{59302, 58563, 65107}, {"Artemisin [ C15 H18 O4, db=68.17, \
overall=34.08, Lipid ID=LMPR01030020, KEGG ID=C09344 ]", ""}}, 
   {264.1357, 9.516806, "Meta"} -> {{179349, 175771, 160242}, {"", ""}}, 
   {327.2406, 9.530406, "Meta"} -> {{196560, 186683, 141128}, {"", ""}}, 
   {463.184, 9.53997, "Meta"} -> {{253194, 289098, 240091}, 
     {"Ritodrine glucuronide [ C23 H29 N O9, db=95.20, overall=47.60, KEGG \
ID=, CAS ID=129464-58-0 ]", "129464-58-0"}}, {273.1762, 9.569387, "Meta"} -> 
    {{93732, 98756, 92972}, {"", ""}}, {327.2405, 9.610461, "Meta"} -> 
    {{109011, 122592, 112271}, {"", ""}}, {273.1762, 9.6855, "Meta"} -> 
    {{118321, 126421, 116299}, {"", ""}}, {360.1935, 9.683611, "Meta"} -> 
    {{66035, 65096, 61900}, {"Aldosterone [ C21 H28 O5, db=80.00, \
overall=40.00, KEGG ID=, CAS ID=52-39-1 ]", "52-39-1"}}, 
   {238.1201, 9.702206, "Meta"} -> {{149019, 1, 27320}, {"", ""}}, 
   {520.202, 9.758688, "Meta"} -> {{15943, 1, 15179}, {"", ""}}, 
   {422.2412, 9.75828, "Meta"} -> {{164133, 156828, 143776}, {"", ""}}, 
   {362.2091, 9.759223, "Meta"} -> {{400169, 424250, 378456}, 
     {"20alpha-Dihydroprednisolone [ C21 H30 O5, db=80.45, overall=40.22, \
KEGG ID=, CAS ID=15847-24-2 ]", "15847-24-2"}}, 
   {346.214, 9.791315, "Meta"} -> {{27727, 29398, 27008}, 
     {"Corticosterone [ C21 H30 O4, db=61.19, overall=30.59, HMP \
ID=HMDB01547, KEGG ID= ]", ""}}, {638.2274, 9.789353, "Meta"} -> 
    {{14539, 17516, 14303}, {"", ""}}, {346.1525, 9.793889, "Meta"} -> 
    {{194475, 122534, 234941}, {"", ""}}, {562.2387, 9.788788, "Meta"} -> 
    {{42556, 45361, 46723}, {"", ""}}, {557.2833, 9.790912, "Meta"} -> 
    {{15797, 19589, 17836}, {"", ""}}, {510.2462, 9.815877, "Meta"} -> 
    {{28439, 29588, 31394}, {"", ""}}, {229.1674, 9.85191, "Meta"} -> 
    {{47032, 44643, 49114}, {"", ""}}, {548.2599, 9.858362, "Meta"} -> 
    {{14143, 15370, 15661}, {"", ""}}, {504.2344, 9.858466, "Meta"} -> 
    {{20904, 28547, 24133}, {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 \
O9, db=72.48, overall=36.24, KEGG ID=, CAS ID= ]", ""}}, 
   {470.3088, 9.879321, "Meta"} -> {{1, 53244, 48376}, {"", ""}}, 
   {550.2021, 9.877315, "Meta"} -> {{22410, 26840, 22160}, {"", ""}}, 
   {346.1525, 9.904173, "Meta"} -> {{156273, 114534, 205808}, {"", ""}}, 
   {238.0238, 9.941334, "Meta"} -> {{149156, 106167, 83795}, {"", ""}}, 
   {396.272, 9.949917, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {352.1786, 9.951111, "Meta"} -> {{98914, 112988, 107200}, {"", ""}}, 
   {244.0709, 9.960057, "Meta"} -> {{44299, 60898, 70430}, 
     {"Uridine [ C9 H12 N2 O6, db=67.18, overall=33.59, KEGG ID=C00299, CAS \
ID=58-96-8 ]", "58-96-8"}}, {238.1185, 9.979892, "Meta"} -> 
    {{21667, 24825, 19927}, {"", ""}}, {330.1981, 9.977964, "Meta"} -> 
    {{51976, 1, 51453}, 
     {"Val Arg Gly [ C13 H26 N6 O4, db=57.73, overall=28.86 ]", ""}}, 
   {284.0936, 9.975928, "Meta"} -> {{18012, 20629, 19768}, {"", ""}}, 
   {463.2106, 10.027572, "Meta"} -> {{17417, 14090, 15763}, {"", ""}}, 
   {314.1266, 10.0307455, "Meta"} -> {{110658, 83262, 163698}, {"", ""}}, 
   {314.2933, 10.043069, "Meta"} -> {{1, 37132, 37056}, {"", ""}}, 
   {285.1574, 10.05632, "Meta"} -> {{56236, 51791, 69554}, 
     {"6,7-Dimethyltetrahydropterin [ C15 H19 N5 O, db=55.04, overall=27.52, \
HMP ID=HMDB02397, KEGG ID= ]", ""}}, {300.1323, 10.061844, "Meta"} -> 
    {{84094, 99414, 94378}, {"8-Hydroxypromazine [ C17 H20 N2 O S, db=45.98, \
overall=22.99, KEGG ID=, CAS ID=130349-17-6 ]", "130349-17-6"}}, 
   {356.0424, 10.055119, "Meta"} -> {{128233, 110321, 93280}, {"", ""}}, 
   {758.2462, 10.054517, "Meta"} -> {{529995, 639366, 587985}, {"", ""}}, 
   {524.1633, 10.055028, "Meta"} -> {{115716, 140817, 148310}, {"", ""}}, 
   {338.0701, 10.055571, "Meta"} -> {{492080, 543885, 513189}, 
     {"Asn Cys Cys [ C10 H18 N4 O5 S2, db=69.48, overall=34.74 ]", ""}}, 
   {240.0997, 10.05514, "Meta"} -> {{1.05*^7, 1.07*^7, 9600830}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=99.31, overall=49.66, KEGG ID=, CAS ID=56392-15-5 ]", "56392-15-5"}}, 
   {180.0783, 10.055166, "Meta"} -> {{955131, 1016309, 980894}, 
     {"o-Methoxyhydrocinnamic acid [ C10 H12 O3, db=99.04, overall=49.52, \
KEGG ID=, CAS ID= ]", ""}}, {222.0891, 10.055057, "Meta"} -> 
    {{5105386, 5451053, 5230304}, {"2E,4E,8E,10E-Dodecatetraenedioic acid [ \
C12 H14 O4, db=99.63, overall=49.81, Lipid ID=, KEGG ID= ]", ""}}, 
   {773.212, 10.0548, "Meta"} -> {{1, 151517, 172412}, {"", ""}}, 
   {428.1355, 10.05561, "Meta"} -> {{75712, 75832, 80488}, {"", ""}}, 
   {284.0629, 10.055297, "Meta"} -> {{1, 37327, 34271}, {"", ""}}, 
   {370.0939, 10.056542, "Meta"} -> {{46832, 45816, 43634}, {"", ""}}, 
   {518.1473, 10.055831, "Meta"} -> {{89221, 440747, 430472}, {"", ""}}, 
   {353.0342, 10.055324, "Meta"} -> {{272317, 234113, 202044}, {"", ""}}, 
   {413.0684, 10.055799, "Meta"} -> {{128834, 106889, 92352}, {"", ""}}, 
   {254.1151, 10.055778, "Meta"} -> {{251913, 277287, 256412}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=92.65, overall=46.32, Lipid ID=, KEGG ID= ]", ""}}, 
   {382.1291, 10.055561, "Meta"} -> {{1, 1, 18637}, 
     {"Asn Phe Cys [ C16 H22 N4 O5 S, db=52.83, overall=26.41 ]", ""}}, 
   {270.1108, 10.057515, "Meta"} -> {{462403, 88146, 483689}, 
     {"Idebenone Metabolite (Benzenebutanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C13 H18 O6, db=87.10, overall=43.55, \
KEGG ID=, CAS ID=95233-52-6 ]", "95233-52-6"}}, 
   {238.0837, 10.05803, "Meta"} -> {{119836, 153992, 175435}, 
     {"Propanoic acid, 2-hydroxy-3-[2-(2-propenyloxy)phenoxy]- [ C12 H14 O5, \
db=79.56, overall=39.78, KEGG ID=, CAS ID=53564-64-0 ]", "53564-64-0"}}, 
   {329.2564, 10.071557, "Meta"} -> {{130654, 143649, 135963}, {"", ""}}, 
   {298.1417, 10.074715, "Meta"} -> {{1, 15481, 12577}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=61.89, overall=30.94, \
KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {267.1807, 10.080885, "Meta"} -> {{71925, 68183, 1}, 
     {"Metoprolol [ C15 H25 N O3, db=55.81, overall=27.91, KEGG ID=C07202, \
CAS ID=51384-51-1 ]", "51384-51-1"}}, {213.1727, 10.082888, "Meta"} -> 
    {{109242, 97915, 143329}, {"", ""}}, {280.1306, 10.084135, "Meta"} -> 
    {{23137, 23096, 1}, {"Betaxolol(deaminated) [ C15 H20 O5, db=67.92, \
overall=33.96, KEGG ID=, CAS ID=87549-34-6 ]", "87549-34-6"}}, 
   {324.0999, 10.10015, "Meta"} -> {{926199, 68097, 212524}, 
     {"7-Hydroxywarfarin [ C19 H16 O5, db=62.79, overall=31.40, KEGG ID=, CAS \
ID=17834-03-6 ]", "17834-03-6"}}, {542.2723, 10.113879, "Meta"} -> 
    {{1, 12559, 13245}, {"", ""}}, {226.1503, 10.1374, "Meta"} -> 
    {{130781, 55271, 56813}, {"", ""}}, {564.2545, 10.16625, "Meta"} -> 
    {{24186, 1, 17942}, {"", ""}}, {157.1461, 10.186832, "Meta"} -> 
    {{211729, 435360, 250566}, {"", ""}}, {776.6856, 10.190693, "Meta"} -> 
    {{112253, 118274, 104943}, {"Thyroxine [ C15 H11 I4 N O4, db=98.31, \
overall=49.15, KEGG ID=C08212, CAS ID=51-48-9 ]", "51-48-9"}}, 
   {275.1915, 10.220444, "Meta"} -> {{226340, 247688, 233328}, {"", ""}}, 
   {258.165, 10.220358, "Meta"} -> {{20457, 25142, 24501}, {"", ""}}, 
   {250.1179, 10.22413, "Meta"} -> {{21721, 18414, 18449}, {"", ""}}, 
   {210.123, 10.228934, "Meta"} -> {{75062, 80938, 1}, {"", ""}}, 
   {346.1381, 10.229135, "Meta"} -> {{20535, 1, 20392}, {"", ""}}, 
   {286.1097, 10.229067, "Meta"} -> {{16482, 18326, 15667}, 
     {"His Met [ C11 H18 N4 O3 S, db=62.46, overall=31.23 ]", ""}}, 
   {438.1865, 10.251937, "Meta"} -> {{20917, 1, 22936}, 
     {"Phe Ser Trp [ C23 H26 N4 O5, db=47.42, overall=23.71 ]", ""}}, 
   {254.1509, 10.254307, "Meta"} -> {{43535, 30196, 26233}, {"", ""}}, 
   {222.1614, 10.2523, "Meta"} -> {{1, 28028, 40160}, {"", ""}}, 
   {272.162, 10.262467, "Meta"} -> {{61485, 70921, 49208}, {"", ""}}, 
   {324.0948, 10.281, "Meta"} -> {{35220, 40363, 37593}, {"", ""}}, 
   {166.0989, 10.282687, "Meta"} -> {{45701, 65040, 56814}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=46.36, overall=23.18, Lipid \
ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, {615.2453, 10.311601, "Meta"} -> 
    {{51121, 1, 45603}, {"", ""}}, {582.2476, 10.3178005, "Meta"} -> 
    {{663466, 808235, 728827}, {"Biliverdin IX [ C33 H34 N4 O6, db=70.82, \
overall=35.41, HMP ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", 
      " 114-25-0"}}, {612.2579, 10.319498, "Meta"} -> 
    {{73758, 91004, 86312}, {"", ""}}, {598.2435, 10.3203745, "Meta"} -> 
    {{63979, 67336, 1}, {"", ""}}, {580.2318, 10.321624, "Meta"} -> 
    {{1, 1, 119803}, {"", ""}}, {302.1078, 10.325857, "Meta"} -> 
    {{35941, 39105, 28940}, {"", ""}}, {299.1918, 10.32961, "Meta"} -> 
    {{372291, 391561, 371894}, {"", ""}}, {144.1147, 10.324371, "Meta"} -> 
    {{62433, 58459, 63889}, {"\207-ethyl caproic acid [ C8 H16 O2, db=81.51, \
overall=40.75, KEGG ID=, CAS ID= ]", ""}}, {489.1998, 10.348856, "Meta"} -> 
    {{59924, 59257, 56842}, {"Terbinafine metabolite glucuronide [ C25 H31 N \
O9, db=76.80, overall=38.40, KEGG ID=, CAS ID= ]", ""}}, 
   {264.0959, 10.353962, "Meta"} -> {{28285, 45201, 28314}, {"", ""}}, 
   {319.0784, 10.364562, "Meta"} -> {{31806, 96232, 27492}, {"", ""}}, 
   {453.2262, 10.414259, "Meta"} -> {{46920, 55510, 51572}, {"", ""}}, 
   {252.134, 10.437142, "Meta"} -> {{74647, 83869, 78823}, {"", ""}}, 
   {343.2186, 10.472101, "Meta"} -> {{48326, 65669, 62599}, {"", ""}}, 
   {632.2476, 10.46173, "Meta"} -> {{16847, 1, 21884}, {"", ""}}, 
   {314.1266, 10.46791, "Meta"} -> {{22937, 18215, 24482}, {"", ""}}, 
   {245.145, 10.478071, "Meta"} -> {{54244, 54739, 59570}, {"", ""}}, 
   {690.4105, 10.481418, "Meta"} -> {{19813, 20996, 18462}, {"", ""}}, 
   {492.2092, 10.482031, "Meta"} -> {{43273, 47103, 34808}, {"", ""}}, 
   {416.2284, 10.482223, "Meta"} -> {{145998, 167373, 155192}, 
     {"Ramipril [ C23 H32 N2 O5, db=71.08, overall=35.54, KEGG ID=C07232, CAS \
ID=87333-19-5 ]", "87333-19-5"}}, {356.1961, 10.4823885, "Meta"} -> 
    {{199477, 196198, 173019}, {"", ""}}, {316.2036, 10.483486, "Meta"} -> 
    {{86330, 85914, 76721}, {"Acitretin Ro 23-4293 [ C20 H28 O3, db=83.16, \
overall=41.58, KEGG ID=, CAS ID=121693-28-5 ]", "121693-28-5"}}, 
   {319.218, 10.518692, "Meta"} -> {{37772, 44247, 43269}, {"", ""}}, 
   {250.118, 10.512572, "Meta"} -> {{36260, 33313, 33900}, {"", ""}}, 
   {205.1132, 10.609686, "Meta"} -> {{191509, 136558, 180124}, {"", ""}}, 
   {218.0879, 10.616875, "Meta"} -> {{85842, 126128, 62941}, {"", ""}}, 
   {254.1511, 10.619676, "Meta"} -> {{45615, 22761, 44281}, {"", ""}}, 
   {243.1831, 10.626083, "Meta"} -> {{238857, 157405, 223731}, {"", ""}}, 
   {225.1725, 10.6266775, "Meta"} -> {{1, 33135, 43291}, {"", ""}}, 
   {385.2821, 10.648808, "Meta"} -> {{38426, 38082, 32491}, {"", ""}}, 
   {602.2044, 10.638667, "Meta"} -> {{1, 18022, 14392}, {"", ""}}, 
   {545.3771, 10.661119, "Meta"} -> {{39491, 42180, 46917}, {"", ""}}, 
   {325.2075, 10.677681, "Meta"} -> {{29514, 28289, 31921}, {"", ""}}, 
   {173.1233, 10.677229, "Meta"} -> {{223207, 295522, 172147}, {"", ""}}, 
   {171.1619, 10.675749, "Meta"} -> {{104675, 115373, 107209}, {"", ""}}, 
   {301.2074, 10.694365, "Meta"} -> {{111423, 1, 118162}, {"", ""}}, 
   {286.1105, 10.689359, "Meta"} -> {{16263, 1, 26986}, 
     {"Hydroxymelphalan [ C13 H19 Cl N2 O3, db=66.75, overall=33.38, KEGG \
ID=, CAS ID=61733-01-5 ]", "61733-01-5"}}, {346.1349, 10.691233, "Meta"} -> 
    {{19414, 25955, 1}, {"", ""}}, {343.2722, 10.704386, "Meta"} -> 
    {{114629, 113848, 111923}, {"Dodecanoylcarnitine [ C19 H37 N O4, \
db=90.71, overall=45.36, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {302.1125, 10.712086, "Meta"} -> {{22107, 22017, 18664}, {"", ""}}, 
   {340.1257, 10.728134, "Meta"} -> {{20080, 24896, 1}, {"", ""}}, 
   {242.1516, 10.728, "Meta"} -> {{163511, 37657, 32210}, {"", ""}}, 
   {400.1631, 10.728265, "Meta"} -> {{27870, 28842, 27402}, 
     {"N-AcetylCilastatin [ C18 H28 N2 O6 S, db=63.48, overall=31.74, KEGG \
ID=, CAS ID=94388-32-6 ]", "94388-32-6"}}, {331.2723, 10.732485, "Meta"} -> 
    {{49295, 45101, 1}, {"", ""}}, {252.1335, 10.748029, "Meta"} -> 
    {{37832, 49546, 37623}, {"", ""}}, {212.1408, 10.760103, "Meta"} -> 
    {{24595, 25496, 1}, {"12-oxo-10Z-dodecenoic acid [ C12 H20 O3, db=80.89, \
overall=40.45, Lipid ID=, KEGG ID= ]", ""}}, {239.1884, 10.751323, "Meta"} -> 
    {{54854, 46686, 48688}, {"", ""}}, {226.0562, 10.78225, "Meta"} -> 
    {{98747, 92355, 75471}, {"", ""}}, {367.2718, 10.79603, "Meta"} -> 
    {{113596, 101825, 97745}, {"", ""}}, {262.1177, 10.825701, "Meta"} -> 
    {{76403, 81969, 80737}, {"", ""}}, {343.2721, 10.835971, "Meta"} -> 
    {{300231, 311530, 272005}, {"Dodecanoylcarnitine [ C19 H37 N O4, \
db=97.12, overall=48.56, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {227.1882, 10.834806, "Meta"} -> {{467541, 295151, 370073}, {"", ""}}, 
   {281.1964, 10.834471, "Meta"} -> {{214513, 124407, 156098}, {"", ""}}, 
   {589.4036, 10.839125, "Meta"} -> {{33852, 37762, 36409}, {"", ""}}, 
   {316.1647, 10.838167, "Meta"} -> {{27983, 26528, 31496}, 
     {"Gibberellin A9 [ C19 H24 O4, db=60.62, overall=30.31, Lipid \
ID=LMPR01040080, KEGG ID=C11863 ]", ""}}, {594.3588, 10.837862, "Meta"} -> 
    {{45863, 51007, 42972}, {"", ""}}, {346.1531, 10.850415, "Meta"} -> 
    {{26895, 27649, 34404}, {"", ""}}, {360.1682, 10.850501, "Meta"} -> 
    {{45865, 42930, 57431}, {"", ""}}, {328.142, 10.851166, "Meta"} -> 
    {{224597, 200118, 258449}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=71.54, overall=35.77 ]", ""}}, 
   {298.1327, 10.851243, "Meta"} -> {{32337, 27778, 42045}, {"", ""}}, 
   {355.272, 10.84606, "Meta"} -> {{509279, 522270, 455844}, {"", ""}}, 
   {383.288, 10.873963, "Meta"} -> {{20796, 1, 28369}, {"", ""}}, 
   {388.2436, 10.871462, "Meta"} -> {{45111, 36113, 29980}, 
     {"Thr Ile Arg [ C16 H32 N6 O5, db=61.43, overall=30.71 ]", ""}}, 
   {284.1808, 10.88514, "Meta"} -> {{57588, 68009, 63252}, {"", ""}}, 
   {301.2077, 10.885583, "Meta"} -> {{1771877, 1946346, 1864871}, {"", ""}}, 
   {276.1936, 10.92211, "Meta"} -> {{33602, 164904, 156125}, {"", ""}}, 
   {342.3243, 10.933499, "Meta"} -> {{44446, 41852, 33953}, {"", ""}}, 
   {242.1516, 10.939269, "Meta"} -> {{1, 152557, 118034}, {"", ""}}, 
   {400.163, 10.940041, "Meta"} -> {{19231, 19881, 21470}, 
     {"N-AcetylCilastatin [ C18 H28 N2 O6 S, db=61.45, overall=30.73, KEGG \
ID=, CAS ID=94388-32-6 ]", "94388-32-6"}}, {287.2463, 10.968501, "Meta"} -> 
    {{86101, 79216, 76359}, {"", ""}}, {498.3417, 10.976148, "Meta"} -> 
    {{1, 48859, 40322}, {"", ""}}, {381.2882, 10.990801, "Meta"} -> 
    {{49438, 47081, 42399}, {"5,6-DiHETrE-EA [ C22 H39 N O4, db=62.62, \
overall=31.31, Lipid ID=LMFA08040029, KEGG ID= ]", ""}}, 
   {431.2308, 10.993176, "Meta"} -> {{33569, 23318, 22017}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=63.44, overall=31.72 ]", ""}}, 
   {414.2039, 10.993806, "Meta"} -> {{162518, 130421, 120125}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=75.35, overall=37.67 ]", ""}}, 
   {616.403, 10.994139, "Meta"} -> {{45304, 1, 44874}, {"", ""}}, 
   {633.4297, 10.99538, "Meta"} -> {{34057, 31462, 1}, {"", ""}}, 
   {285.9721, 10.995276, "Meta"} -> {{48917, 1, 44786}, {"", ""}}, 
   {249.1109, 11.002543, "Meta"} -> {{53710, 46772, 36704}, {"", ""}}, 
   {440.2017, 10.997424, "Meta"} -> {{33735, 34126, 39233}, 
     {"Phe Gln Phe [ C23 H28 N4 O5, db=38.67, overall=19.34 ]", ""}}, 
   {276.1334, 11.004139, "Meta"} -> {{51590, 64050, 50069}, 
     {"Saccharopine [ C11 H20 N2 O6, db=56.45, overall=28.23, KEGG ID=, CAS \
ID=997-68-2 ]", "997-68-2"}}, {465.3087, 11.014788, "Meta"} -> 
    {{22461, 23455, 21124}, {"Cholylglycine [ C26 H43 N O6, db=75.71, \
overall=37.85, KEGG ID=, CAS ID=475-31-0 ]", "475-31-0"}}, 
   {236.1403, 11.007713, "Meta"} -> {{81924, 84580, 77078}, {"", ""}}, 
   {345.2335, 11.036324, "Meta"} -> {{195957, 214091, 202273}, {"", ""}}, 
   {410.2874, 11.06508, "Meta"} -> {{1, 40446, 36334}, {"", ""}}, 
   {402.2185, 11.074946, "Meta"} -> {{27584, 29880, 28187}, 
     {"Trandolaprilat [ C22 H30 N2 O5, db=47.66, overall=23.83, KEGG ID=, CAS \
ID=87679-71-8 ]", "87679-71-8"}}, {276.0972, 11.078914, "Meta"} -> 
    {{92894, 87952, 102044}, 
     {"Glu Glu [ C10 H16 N2 O7, db=71.47, overall=35.73 ]", ""}}, 
   {331.2721, 11.109583, "Meta"} -> {{71238, 75369, 91382}, {"", ""}}, 
   {402.1563, 11.114313, "Meta"} -> {{193250, 165328, 16823}, {"", ""}}, 
   {321.215, 11.114806, "Meta"} -> {{2464774, 2335482, 213706}, {"", ""}}, 
   {304.1884, 11.114723, "Meta"} -> {{6772419, 6227065, 567900}, {"", ""}}, 
   {224.0838, 11.132531, "Meta"} -> {{38863, 44039, 38625}, {"", ""}}, 
   {278.0912, 11.133195, "Meta"} -> {{36954, 41157, 39347}, 
     {"Glu Met [ C10 H18 N2 O5 S, db=50.61, overall=25.31 ]", ""}}, 
   {327.223, 11.149416, "Meta"} -> {{250285, 256929, 243609}, 
     {"Levonorgestrel oxime [ C21 H29 N O2, db=60.97, overall=30.49, KEGG \
ID=, CAS ID=53016-31-2 ]", "53016-31-2"}}, {172.1474, 11.181901, "Meta"} -> 
    {{1, 101574, 93976}, {"3-methyl-nonanoic acid [ C10 H20 O2, db=48.71, \
overall=24.36, Lipid ID=, KEGG ID= ]", ""}}, {238.1544, 11.197818, "Meta"} -> 
    {{133987, 142547, 1}, {"", ""}}, {265.0592, 11.2015, "Meta"} -> 
    {{64330, 143931, 104129}, {"", ""}}, {256.1671, 11.202999, "Meta"} -> 
    {{110270, 129666, 117460}, {"", ""}}, {331.272, 11.201206, "Meta"} -> 
    {{1, 28612, 1}, {"", ""}}, {202.1566, 11.219847, "Meta"} -> 
    {{1, 1, 79044}, {"10-hydroxy-undecanoic acid [ C11 H22 O3, db=57.60, \
overall=28.80, Lipid ID=, KEGG ID= ]", ""}}, {357.2877, 11.224555, "Meta"} -> 
    {{629436, 680775, 638360}, {"", ""}}, {287.2463, 11.230424, "Meta"} -> 
    {{53808, 23555, 21312}, {"", ""}}, {286.196, 11.254839, "Meta"} -> 
    {{26613, 23847, 27710}, {"Androstenedione [ C19 H26 O2, db=51.24, \
overall=25.62, KEGG ID=C00280, CAS ID=63-05-8 ]", "63-05-8"}}, 
   {306.1806, 11.240032, "Meta"} -> {{29127, 30755, 40246}, 
     {"Tetranor Iloprost [ C18 H26 O4, db=57.37, overall=28.69, KEGG ID=, CAS \
ID=93220-69-0 ]", "93220-69-0"}}, {303.223, 11.255501, "Meta"} -> 
    {{420252, 465097, 463013}, {"", ""}}, {288.1332, 11.251001, "Meta"} -> 
    {{28533, 35374, 28131}, {"4-Methylumbelliferyl heptanoate [ C17 H20 O4, \
db=40.76, overall=20.38, KEGG ID=, CAS ID=18319-92-1 ]", "18319-92-1"}}, 
   {248.1406, 11.251324, "Meta"} -> {{12749, 15263, 16249}, 
     {"2,4-Pentadienoic acid, \
3-methyl-5-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)- [ C15 H20 O3, db=58.71, \
overall=29.36, KEGG ID=, CAS ID=126624-24-6 ]", "126624-24-6"}}, 
   {358.2326, 11.257731, "Meta"} -> {{30513, 33656, 36695}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=70.59, overall=35.30 ]", ""}}, 
   {717.4275, 11.272499, "Meta"} -> {{99854, 115063, 115624}, {"", ""}}, 
   {587.1718, 11.289588, "Meta"} -> {{24583, 19915, 13624}, {"", ""}}, 
   {294.1107, 11.290332, "Meta"} -> {{35744, 23726, 1}, {"", ""}}, 
   {1280.5605, 11.288729, "Meta"} -> {{25898, 16285, 1}, {"", ""}}, 
   {452.1514, 11.289388, "Meta"} -> {{87315, 67483, 56027}, {"", ""}}, 
   {586.2752, 11.289446, "Meta"} -> {{202690, 177733, 158519}, {"", ""}}, 
   {527.1393, 11.289233, "Meta"} -> {{1, 86695, 61897}, {"", ""}}, 
   {496.1945, 11.289706, "Meta"} -> {{30894, 24638, 21018}, 
     {"Trp Glu Tyr [ C25 H28 N4 O7, db=59.40, overall=29.70 ]", ""}}, 
   {845.4351, 11.289027, "Meta"} -> {{379994, 285328, 199998}, {"", ""}}, 
   {530.1451, 11.290032, "Meta"} -> {{1, 43485, 34855}, 
     {"Ketoconazole [ C26 H28 Cl2 N4 O4, db=59.08, overall=29.54, KEGG \
ID=C07061, CAS ID=65277-42-1 ]", "65277-42-1"}}, 
   {531.2824, 11.290118, "Meta"} -> {{28787, 30867, 30226}, {"", ""}}, 
   {866.3558, 11.289026, "Meta"} -> {{94287, 69278, 46751}, {"", ""}}, 
   {876.3872, 11.289584, "Meta"} -> {{49604, 39908, 26581}, {"", ""}}, 
   {608.2851, 11.289752, "Meta"} -> {{21690, 18476, 1}, 
     {" [ C34 H42 N O9, db=0.00, overall=41.18, mfg=82.37 ]", ""}}, 
   {445.2463, 11.290056, "Meta"} -> {{136905, 121715, 110850}, {"", ""}}, 
   {534.248, 11.289888, "Meta"} -> {{1076127, 1010954, 870635}, {"", ""}}, 
   {512.1748, 11.289804, "Meta"} -> {{289085, 241264, 192228}, {"", ""}}, 
   {485.2606, 11.290346, "Meta"} -> {{41030, 1, 35887}, {"", ""}}, 
   {414.2037, 11.289584, "Meta"} -> {{1.34*^7, 1.1*^7, 8745560}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=82.04, overall=41.02 ]", ""}}, 
   {280.131, 11.2896385, "Meta"} -> {{115336, 88916, 80871}, 
     {"Betaxolol(deaminated) [ C15 H20 O5, db=93.07, overall=46.54, KEGG ID=, \
CAS ID=87549-34-6 ]", "87549-34-6"}}, {431.2309, 11.289611, "Meta"} -> 
    {{4148557, 3613947, 2955727}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=83.76, overall=41.88 ]", ""}}, 
   {487.292, 11.2910595, "Meta"} -> {{45143, 40101, 1}, {"", ""}}, 
   {544.1991, 11.289091, "Meta"} -> {{1, 23157, 20383}, {"", ""}}, 
   {471.2445, 11.291112, "Meta"} -> {{47124, 44127, 41915}, {"", ""}}, 
   {459.2618, 11.289667, "Meta"} -> {{562489, 443428, 467042}, 
     {"Arg Val Trp [ C22 H33 N7 O4, db=83.80, overall=41.90 ]", ""}}, 
   {457.2271, 11.291111, "Meta"} -> {{96951, 88753, 74697}, {"", ""}}, 
   {493.246, 11.289943, "Meta"} -> {{36758, 29515, 20778}, 
     {"Epothilone A [ C26 H39 N O6 S, db=62.97, overall=31.48, Lipid \
ID=LMPK01000045, KEGG ID=C12153 ]", ""}}, {560.2447, 11.289834, "Meta"} -> 
    {{30433, 33133, 29437}, {"Chloramphenicol palmitate [ C27 H42 Cl2 N2 O6, \
db=50.93, overall=25.46, KEGG ID=C11726, CAS ID=530-43-8 ]", "530-43-8"}}, 
   {473.2773, 11.28986, "Meta"} -> {{105025, 113663, 100341}, 
     {"Leu Trp Arg [ C23 H35 N7 O4, db=65.72, overall=32.86 ]", ""}}, 
   {480.1932, 11.290501, "Meta"} -> {{45308, 36141, 28598}, {"", ""}}, 
   {440.2009, 11.290919, "Meta"} -> {{158437, 132452, 116453}, 
     {"punaglandin 8 [ C23 H33 Cl O6, db=31.94, overall=15.97, Lipid \
ID=LMFA03120045, KEGG ID= ]", ""}}, {749.4477, 11.296001, "Meta"} -> 
    {{20093, 16962, 1}, {"", ""}}, {455.3245, 11.3231, "Meta"} -> 
    {{61020, 71135, 57953}, {"", ""}}, {369.2876, 11.339501, "Meta"} -> 
    {{315910, 330465, 283960}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, \
db=97.62, overall=48.81, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {226.1929, 11.347332, "Meta"} -> {{136340, 127616, 128216}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=85.58, overall=42.79, \
KEGG ID=, CAS ID= ]", ""}}, {336.1572, 11.353258, "Meta"} -> 
    {{112268, 129504, 119717}, {"", ""}}, {243.2196, 11.351666, "Meta"} -> 
    {{1, 23487, 23573}, {"2-amino-tetradecanoic acid [ C14 H29 N O2, \
db=77.47, overall=38.74, Lipid ID=, KEGG ID= ]", ""}}, 
   {256.1672, 11.371285, "Meta"} -> {{121788, 146468, 41125}, {"", ""}}, 
   {285.1361, 11.375806, "Meta"} -> {{897073, 1177151, 1190515}, 
     {"Morphine [ C17 H19 N O3, db=95.72, overall=47.86, KEGG ID=C01516, CAS \
ID=57-27-2 ]", "57-27-2"}}, {282.1465, 11.395613, "Meta"} -> 
    {{95864, 106488, 96941}, {"Artemisinin [ C15 H22 O5, db=88.47, \
overall=44.23, KEGG ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {208.1094, 11.39564, "Meta"} -> {{153253, 161017, 153686}, 
     {"1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo- [ C12 H16 O3, \
db=81.98, overall=40.99, KEGG ID=, CAS ID=28043-09-6 ]", "28043-09-6"}}, 
   {250.1206, 11.395556, "Meta"} -> {{1108645, 1178032, 1138446}, 
     {"Ubiquinone [ C14 H18 O4, db=99.59, overall=49.80, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {366.1019, 11.395695, "Meta"} -> 
    {{152092, 159359, 141001}, 
     {"Cys Asn Met [ C12 H22 N4 O5 S2, db=72.32, overall=36.16 ]", ""}}, 
   {381.0665, 11.395805, "Meta"} -> {{58992, 48113, 41106}, {"", ""}}, 
   {268.131, 11.395668, "Meta"} -> {{1831521, 1898751, 1810047}, {"", ""}}, 
   {842.34, 11.395239, "Meta"} -> {{17340, 1, 19234}, {"", ""}}, 
   {589.1759, 11.39528, "Meta"} -> {{10823, 10147, 1}, {"", ""}}, 
   {384.0751, 11.395806, "Meta"} -> {{40532, 34932, 31380}, {"", ""}}, 
   {649.2068, 11.395183, "Meta"} -> {{20176, 13082, 14046}, {"", ""}}, 
   {504.2696, 11.396668, "Meta"} -> {{32126, 34076, 28705}, {"", ""}}, 
   {312.0943, 11.396322, "Meta"} -> {{16841, 20544, 21689}, {"", ""}}, 
   {575.2477, 11.396999, "Meta"} -> {{46888, 54767, 43247}, {"", ""}}, 
   {328.1616, 11.3960285, "Meta"} -> {{68024, 80998, 64859}, 
     {"Methotrimeprazine [ C19 H24 N2 O S, db=76.92, overall=38.46, KEGG \
ID=C07192, CAS ID=60-99-1 ]", "60-99-1"}}, {441.1043, 11.396527, "Meta"} -> 
    {{50331, 41843, 37967}, {"", ""}}, {398.1249, 11.39558, "Meta"} -> 
    {{18426, 16429, 18412}, 
     {"Cys Tyr Asn [ C16 H22 N4 O6 S, db=64.30, overall=32.15 ]", ""}}, 
   {410.1626, 11.397676, "Meta"} -> {{34190, 36110, 1}, 
     {"Phe Asn Met [ C18 H26 N4 O5 S, db=72.68, overall=36.34 ]", ""}}, 
   {426.1383, 11.396766, "Meta"} -> {{136922, 159068, 156154}, 
     {"Mometasone [ C22 H28 Cl2 O4, db=54.85, overall=27.42, KEGG ID=C07816, \
CAS ID=105102-22-5 ]", "105102-22-5"}}, {136.1248, 11.399722, "Meta"} -> 
    {{49170, 47345, 47514}, {"(+)-Limonene [ C10 H16, db=85.33, \
overall=42.67, Lipid ID=LMPR01020041, KEGG ID=C06099 ]", ""}}, 
   {266.115, 11.397911, "Meta"} -> {{22255, 26192, 30935}, {"", ""}}, 
   {214.1567, 11.399723, "Meta"} -> {{694307, 716284, 659461}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=86.76, overall=43.38, \
Lipid ID=, KEGG ID= ]", ""}}, {274.189, 11.399056, "Meta"} -> 
    {{90357, 107753, 100780}, {"", ""}}, {312.1249, 11.399559, "Meta"} -> 
    {{21471, 28645, 1}, {"", ""}}, {154.1354, 11.39986, "Meta"} -> 
    {{83325, 97627, 86248}, {"Linalool [ C10 H18 O, db=84.18, overall=42.09, \
Lipid ID=LMPR01020038, KEGG ID=C03985 ]", ""}}, 
   {647.4454, 11.415207, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {196.1447, 11.415208, "Meta"} -> {{19185, 21420, 25289}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=61.34, overall=30.67, Lipid ID=, \
KEGG ID= ]", ""}}, {397.3034, 11.419818, "Meta"} -> 
    {{49287, 53365, 58342}, {"", ""}}, {518.121, 11.434154, "Meta"} -> 
    {{16495, 16527, 1}, {"", ""}}, {336.157, 11.451531, "Meta"} -> 
    {{81508, 28273, 76024}, {"", ""}}, {246.1829, 11.451807, "Meta"} -> 
    {{155500, 89656, 99188}, {"", ""}}, {241.2038, 11.455589, "Meta"} -> 
    {{1, 35924, 33876}, {"", ""}}, {478.2178, 11.45214, "Meta"} -> 
    {{37035, 35868, 38830}, {"Formestane-4-O-glucuronide [ C25 H34 O9, \
db=82.02, overall=41.01, KEGG ID=, CAS ID=102848-54-4 ]", "102848-54-4"}}, 
   {210.1249, 11.457354, "Meta"} -> {{58424, 45816, 44090}, 
     {"Jasmonic acid [ C12 H18 O3, db=81.52, overall=40.76, Lipid \
ID=LMFA02020001, KEGG ID= ]", ""}}, {342.2878, 11.461249, "Meta"} -> 
    {{20103, 17382, 1}, {"", ""}}, {367.1506, 11.475408, "Meta"} -> 
    {{178724, 194239, 197307}, 
     {"Asp His Pro [ C15 H21 N5 O6, db=71.89, overall=35.95 ]", ""}}, 
   {285.1362, 11.475694, "Meta"} -> {{2408648, 2544626, 2363617}, 
     {"Morphine [ C17 H19 N O3, db=98.62, overall=49.31, KEGG ID=C01516, CAS \
ID=57-27-2 ]", "57-27-2"}}, {528.1969, 11.478286, "Meta"} -> 
    {{13745, 13192, 1}, {"", ""}}, {460.2096, 11.476846, "Meta"} -> 
    {{1, 1, 1}, {"Trp Gln Gln [ C21 H28 N6 O6, db=60.46, overall=30.23 ]", 
      ""}}, {311.2457, 11.484715, "Meta"} -> {{273930, 271465, 249541}, 
     {"", ""}}, {347.2489, 11.499638, "Meta"} -> {{87573, 96082, 75798}, 
     {"", ""}}, {356.2318, 11.490559, "Meta"} -> 
    {{17601, 1, 1}, {"Estradiol valerate [ C23 H32 O3, db=40.90, \
overall=20.45, Lipid ID=LMST02010039, KEGG ID=C12859 ]", ""}}, 
   {344.1596, 11.518447, "Meta"} -> {{166804, 163161, 112910}, 
     {"16-Hydroxy-4-carboxyretinoic acid [ C20 H24 O5, db=62.38, \
overall=31.19, KEGG ID=, CAS ID=99665-36-8 ]", "99665-36-8"}}, 
   {414.204, 11.526778, "Meta"} -> {{83707, 68416, 28757}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=76.96, overall=38.48 ]", ""}}, 
   {413.2931, 11.527801, "Meta"} -> {{34923, 38603, 36823}, {"", ""}}, 
   {449.3137, 11.528334, "Meta"} -> {{76346, 85957, 25047}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=91.01, overall=45.51, HMP \
ID=HMDB00708, KEGG ID= ]", ""}}, {431.3032, 11.527909, "Meta"} -> 
    {{83814, 87537, 91691}, {"", ""}}, {250.1557, 11.546168, "Meta"} -> 
    {{1, 37540, 42915}, {"Gemfibrozil [ C15 H22 O3, db=55.73, overall=27.87, \
KEGG ID=, CAS ID=25812-30-0 ]", "25812-30-0"}}, 
   {632.2483, 11.548585, "Meta"} -> {{752913, 607896, 1269986}, {"", ""}}, 
   {441.3298, 11.567675, "Meta"} -> {{1, 63007, 1}, {"", ""}}, 
   {424.3029, 11.567376, "Meta"} -> {{81693, 1, 80606}, 
     {"2alpha-Fluoro-19-nor-22-oxa-1alpha,25-dihydroxyvitamin D3 [ C25 H41 F \
O4, db=58.90, overall=29.45, Lipid ID=LMST03020616, KEGG ID= ]", ""}}, 
   {488.2383, 11.5761385, "Meta"} -> {{26945, 27788, 24768}, {"", ""}}, 
   {329.2389, 11.608471, "Meta"} -> {{1179502, 1292594, 1256890}, {"", ""}}, 
   {280.165, 11.619699, "Meta"} -> {{231621, 222147, 213104}, {"", ""}}, 
   {386.1862, 11.624001, "Meta"} -> {{31440, 32434, 25643}, {"", ""}}, 
   {386.2455, 11.630222, "Meta"} -> {{127515, 143717, 130383}, 
     {"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid [ C24 H34 O4, \
db=85.79, overall=42.90, Lipid ID=, KEGG ID= ]", ""}}, 
   {598.2424, 11.630831, "Meta"} -> {{59894, 51742, 60820}, {"", ""}}, 
   {735.4978, 11.632807, "Meta"} -> {{29243, 30935, 34588}, 
     {"Dipalmitoylphosphatidylserine [ C38 H74 N O10 P, db=54.29, \
overall=27.15, HMP ID=HMDB00614, KEGG ID= ]", ""}}, 
   {370.3555, 11.634998, "Meta"} -> {{51127, 47429, 39339}, {"", ""}}, 
   {468.2595, 11.6322565, "Meta"} -> {{38175, 41060, 36784}, {"", ""}}, 
   {740.4531, 11.631467, "Meta"} -> {{41766, 39956, 41122}, {"", ""}}, 
   {477.1897, 11.660638, "Meta"} -> {{105074, 64861, 130245}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=85.23, overall=42.62, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {582.2477, 11.661, "Meta"} -> 
    {{22675, 40872, 30591}, {"Biliverdin IX [ C33 H34 N4 O6, db=87.31, \
overall=43.66, HMP ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", 
      " 114-25-0"}}, {354.2379, 11.661621, "Meta"} -> 
    {{21309, 26221, 22253}, {"13,14-dihydro-15-keto-PGF2alpha [ C20 H34 O5, \
db=42.26, overall=21.13, Lipid ID=LMFA03010027, KEGG ID= ]", ""}}, 
   {520.2644, 11.689971, "Meta"} -> {{46683, 49595, 42211}, 
     {"Medroxyprogesterone glucuronide [ C28 H40 O9, db=48.42, overall=24.21, \
KEGG ID=, CAS ID= ]", ""}}, {485.356, 11.693, "Meta"} -> 
    {{47251, 58878, 1}, {"", ""}}, {240.1703, 11.670438, "Meta"} -> 
    {{78314, 1, 139057}, {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ \
C14 H24 O3, db=65.39, overall=32.69, Lipid ID=, KEGG ID= ]", ""}}, 
   {439.2696, 11.698639, "Meta"} -> {{62626, 36299, 33304}, 
     {"GPA(17:1(9Z)/0:0) [ C20 H42 N O7 P, db=58.14, overall=29.07, Lipid \
ID=LMGP10050002, KEGG ID= ]", ""}}, {414.2039, 11.722752, "Meta"} -> 
    {{200970, 120509, 123526}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=70.02, overall=35.01 ]", ""}}, 
   {522.2801, 11.738907, "Meta"} -> {{59213, 62762, 54480}, {"", ""}}, 
   {262.1541, 11.742794, "Meta"} -> {{23031, 26429, 23666}, {"", ""}}, 
   {272.2133, 11.744, "Meta"} -> {{58550, 62291, 46719}, {"", ""}}, 
   {588.2251, 11.747442, "Meta"} -> {{42383, 37876, 39094}, {"", ""}}, 
   {528.1907, 11.747131, "Meta"} -> {{19489, 18940, 22747}, {"", ""}}, 
   {371.3033, 11.768027, "Meta"} -> {{239491, 254249, 232134}, {"", ""}}, 
   {590.3101, 11.752577, "Meta"} -> {{1, 25654, 24251}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=61.46, overall=30.73, HMP \
ID=HMDB04158, KEGG ID= ]", ""}}, {417.1435, 11.795814, "Meta"} -> 
    {{15798, 13404, 12199}, {"Mefenamic acid Metabolite (b-D-Glucopyranuronic \
acid, 1-[2-[(2,3-dimethylphenyl)amino]benzoate]) [ C21 H23 N O8, db=50.07, \
overall=25.03, KEGG ID=, CAS ID=102623-18-7 ]", "102623-18-7"}}, 
   {282.1151, 11.797542, "Meta"} -> {{49507, 49751, 41397}, {"", ""}}, 
   {342.145, 11.797485, "Meta"} -> {{43704, 47083, 46089}, {"", ""}}, 
   {184.146, 11.798257, "Meta"} -> {{155982, 143262, 159018}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=82.08, overall=41.04, Lipid ID=, \
KEGG ID= ]", ""}}, {373.2647, 11.811193, "Meta"} -> 
    {{76222, 86883, 1}, {"", ""}}, {299.2823, 11.815419, "Meta"} -> 
    {{60876, 61446, 72604}, {"3-Dehydrosphinganine [ C18 H37 N O2, db=94.66, \
overall=47.33, KEGG ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {251.2249, 11.800002, "Meta"} -> {{91006, 91492, 85979}, {"", ""}}, 
   {534.3375, 11.806134, "Meta"} -> {{51333, 50311, 42695}, {"", ""}}, 
   {465.3086, 11.805584, "Meta"} -> {{508919, 521894, 512518}, 
     {"Cholylglycine [ C26 H43 N O6, db=97.59, overall=48.80, KEGG ID=, CAS \
ID=475-31-0 ]", "475-31-0"}}, {429.2878, 11.80568, "Meta"} -> 
    {{16899, 20097, 15252}, {"", ""}}, {529.3823, 11.806334, "Meta"} -> 
    {{1, 48254, 45902}, {"", ""}}, {518.2228, 11.805154, "Meta"} -> 
    {{16078, 14877, 1}, {"26,26,26,27,27,27-hexafluoro-1alpha,25-dihydroxy-16\
,17,23,23,24,24-hexadehydrovitamin D3 / 26,26,26, [ C27 H32 F6 O3, db=61.57, \
overall=30.78, Lipid ID=LMST03020078, KEGG ID= ]", ""}}, 
   {585.3523, 11.805889, "Meta"} -> {{13332, 13490, 13924}, {"", ""}}, 
   {521.2284, 11.805668, "Meta"} -> {{17644, 15132, 1}, {"", ""}}, 
   {414.204, 11.809854, "Meta"} -> {{75260, 122016, 116489}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=78.79, overall=39.40 ]", ""}}, 
   {431.2309, 11.812069, "Meta"} -> {{45349, 34288, 32399}, 
     {"Trp Arg Ala [ C20 H29 N7 O4, db=56.36, overall=28.18 ]", ""}}, 
   {218.1664, 11.82626, "Meta"} -> {{26223, 31431, 30471}, 
     {"6,8,10,12-pentadecatetraenal [ C15 H22 O, db=57.54, overall=28.77, \
Lipid ID=, KEGG ID= ]", ""}}, {270.1153, 11.829969, "Meta"} -> 
    {{54173, 43530, 47901}, {"chloroprocaine [ C13 H19 Cl N2 O2, db=55.52, \
overall=27.76, KEGG ID=, CAS ID= ]", ""}}, {330.1401, 11.829573, "Meta"} -> 
    {{46821, 49641, 50894}, {"Desmethyl methotrimeprazine 5-sulfoxide [ C18 \
H22 N2 O2 S, db=85.40, overall=42.70, KEGG ID=, CAS ID=16808-77-8 ]", 
      "16808-77-8"}}, {172.146, 11.8296385, "Meta"} -> 
    {{108709, 160642, 122814}, {"3-methyl-nonanoic acid [ C10 H20 O2, \
db=89.90, overall=44.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {186.1616, 11.829715, "Meta"} -> {{63579, 63904, 60416}, 
     {"Undecylic acid [ C11 H22 O2, db=83.39, overall=41.70, KEGG ID=, CAS \
ID= ]", ""}}, {431.3031, 11.831061, "Meta"} -> {{70264, 78462, 75476}, 
     {"", ""}}, {471.2956, 11.832395, "Meta"} -> {{59422, 52795, 48748}, 
     {"", ""}}, {308.1988, 11.834726, "Meta"} -> {{39954, 1, 36036}, 
     {"", ""}}, {355.2544, 11.8503895, "Meta"} -> {{440969, 479170, 474571}, 
     {"", ""}}, {346.1188, 11.835636, "Meta"} -> {{37185, 29540, 25251}, 
     {"Nifedipine [ C17 H18 N2 O6, db=50.63, overall=25.31, KEGG ID=C07266, \
CAS ID=21829-25-4 ]", "21829-25-4"}}, {276.1724, 11.846942, "Meta"} -> 
    {{150618, 138157, 124168}, {"cyclandelate [ C17 H24 O3, db=63.51, \
overall=31.75, KEGG ID=, CAS ID=456-59-7 ]", "456-59-7"}}, 
   {369.197, 11.842227, "Meta"} -> {{32997, 31297, 30899}, {"", ""}}, 
   {588.2903, 11.855272, "Meta"} -> {{27667, 30482, 15943}, {"", ""}}, 
   {330.1805, 11.858284, "Meta"} -> {{346773, 272200, 249677}, 
     {"16-Hydroxy-4-oxoretinoic acid [ C20 H26 O4, db=78.37, overall=39.19, \
KEGG ID=, CAS ID=107257-23-8 ]", "107257-23-8"}}, 
   {252.1358, 11.86086, "Meta"} -> {{59776, 58221, 44921}, {"", ""}}, 
   {290.1884, 11.862444, "Meta"} -> {{214464, 199503, 92504}, 
     {"8-hydroxy-17-octadecene-9,11-diynoic acid [ C18 H26 O3, db=62.31, \
overall=31.16, Lipid ID=, KEGG ID= ]", ""}}, {351.2187, 11.864862, "Meta"} -> 
    {{143823, 164426, 153942}, {"", ""}}, {592.3258, 11.793964, "Meta"} -> 
    {{86519, 64329, 76959}, {"", ""}}, {309.2302, 11.861514, "Meta"} -> 
    {{174558, 186068, 379020}, {"", ""}}, {447.2981, 11.879917, "Meta"} -> 
    {{512346, 563046, 564896}, {"", ""}}, {511.3273, 11.884157, "Meta"} -> 
    {{578835, 462140, 336726}, {"", ""}}, {280.1649, 11.8923235, "Meta"} -> 
    {{46908, 53800, 48765}, {"", ""}}, {705.4871, 11.893938, "Meta"} -> 
    {{1, 47000, 45112}, {"", ""}}, {291.2176, 11.896868, "Meta"} -> 
    {{266806, 269165, 1}, {"Penbutolol [ C18 H29 N O2, db=57.95, \
overall=28.98, KEGG ID=C07416, CAS ID=38363-40-5 ]", "38363-40-5"}}, 
   {688.4606, 11.89371, "Meta"} -> {{1, 1, 61903}, {"", ""}}, 
   {267.2197, 11.913969, "Meta"} -> {{635288, 633586, 613617}, {"", ""}}, 
   {394.2926, 11.915362, "Meta"} -> {{172592, 177872, 172679}, {"", ""}}, 
   {251.2248, 11.917944, "Meta"} -> {{250905, 254995, 242505}, {"", ""}}, 
   {411.3194, 11.915528, "Meta"} -> {{89990, 100889, 93630}, {"", ""}}, 
   {256.219, 11.924389, "Meta"} -> {{82312, 79666, 82859}, {"", ""}}, 
   {610.2709, 11.924807, "Meta"} -> {{1, 27330, 23457}, {"", ""}}, 
   {534.281, 11.92525, "Meta"} -> {{72987, 76552, 80060}, {"", ""}}, 
   {451.3145, 11.934751, "Meta"} -> {{25961, 25588, 25556}, {"", ""}}, 
   {224.1408, 11.931854, "Meta"} -> {{51216, 53019, 40927}, 
     {"Methyl jasmonate [ C13 H20 O3, db=49.28, overall=24.64, KEGG \
ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {456.2698, 11.934423, "Meta"} -> {{48551, 50142, 44855}, {"", ""}}, 
   {572.3308, 11.924665, "Meta"} -> {{18617, 19156, 18469}, {"", ""}}, 
   {428.2149, 11.942999, "Meta"} -> {{1, 1, 28003}, {"", ""}}, 
   {315.2772, 11.940305, "Meta"} -> {{1602269, 1570244, 1391597}, {"", ""}}, 
   {413.2462, 11.94091, "Meta"} -> {{59662, 69405, 49179}, {"", ""}}, 
   {297.2667, 11.941416, "Meta"} -> {{127648, 127764, 120686}, 
     {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ C18 H35 N O2, db=86.94, \
overall=43.47, KEGG ID=, CAS ID= ]", ""}}, {341.2728, 11.941767, "Meta"} -> 
    {{29383, 23167, 1}, {"", ""}}, {314.0917, 11.9444475, "Meta"} -> 
    {{1, 84731, 281471}, {"", ""}}, {261.1217, 11.955101, "Meta"} -> 
    {{194589, 1, 77301}, {"", ""}}, {379.2542, 11.973425, "Meta"} -> 
    {{43516, 54438, 50119}, {"", ""}}, {594.3415, 11.96689, "Meta"} -> 
    {{182451, 171271, 173550}, {"L-Urobilin [ C33 H46 N4 O6, db=74.87, \
overall=37.44, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {255.2196, 11.968827, "Meta"} -> {{63186, 52032, 55624}, {"", ""}}, 
   {414.2043, 11.974148, "Meta"} -> {{73876, 1, 15751}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=62.51, overall=31.26 ]", ""}}, 
   {312.2301, 11.973156, "Meta"} -> {{103861, 123796, 98847}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=65.73, \
overall=32.86, Lipid ID=, KEGG ID= ]", ""}}, {328.2254, 11.979709, "Meta"} -> 
    {{46595, 1, 40692}, {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 \
H32 O5, db=55.40, overall=27.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {196.1461, 11.97807, "Meta"} -> {{12556, 17686, 16758}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=60.16, overall=30.08, Lipid ID=, \
KEGG ID= ]", ""}}, {754.4684, 11.973702, "Meta"} -> 
    {{1, 53565, 44695}, {"", ""}}, {749.5135, 11.97703, "Meta"} -> 
    {{40074, 44202, 40063}, {"", ""}}, {324.1915, 11.994925, "Meta"} -> 
    {{19596, 1, 1}, {"12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid \
[ C18 H28 O5, db=57.41, overall=28.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {309.23, 11.97869, "Meta"} -> {{120519, 1, 105145}, {"", ""}}, 
   {301.1142, 11.992531, "Meta"} -> {{77833, 127475, 99539}, {"", ""}}, 
   {331.2543, 12.023166, "Meta"} -> {{639165, 696602, 656640}, {"", ""}}, 
   {455.3454, 12.01464, "Meta"} -> {{108814, 131285, 120514}, {"", ""}}, 
   {438.3189, 12.015082, "Meta"} -> {{192822, 202811, 195581}, {"", ""}}, 
   {358.2328, 12.025667, "Meta"} -> {{756686, 200045, 1411003}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=96.96, overall=48.48 ]", ""}}, 
   {311.152, 12.032904, "Meta"} -> {{207732, 208151, 231774}, {"", ""}}, 
   {353.2775, 12.026425, "Meta"} -> {{661750, 189472, 1273456}, {"", ""}}, 
   {385.3189, 12.040938, "Meta"} -> {{90774, 83744, 122695}, {"", ""}}, 
   {397.3187, 12.041324, "Meta"} -> {{264265, 276158, 264661}, {"", ""}}, 
   {798.4948, 12.054034, "Meta"} -> {{40819, 42677, 42647}, {"", ""}}, 
   {793.5397, 12.054131, "Meta"} -> {{34885, 37687, 38468}, {"", ""}}, 
   {590.3062, 12.072692, "Meta"} -> {{1, 20780, 1}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=57.10, overall=28.55, HMP \
ID=HMDB04158, KEGG ID= ]", ""}}, {326.0038, 12.075236, "Meta"} -> 
    {{134522, 56148, 140468}, {"", ""}}, {236.1403, 12.083773, "Meta"} -> 
    {{57016, 61748, 54700}, {"", ""}}, {252.1866, 12.082345, "Meta"} -> 
    {{25484, 40091, 49039}, {"", ""}}, {586.209, 12.083833, "Meta"} -> 
    {{178304, 191537, 190324}, {"", ""}}, {350.155, 12.082278, "Meta"} -> 
    {{87710, 93821, 87626}, {"", ""}}, {526.1727, 12.085113, "Meta"} -> 
    {{158684, 162593, 155329}, {"", ""}}, {466.1347, 12.082086, "Meta"} -> 
    {{129411, 129359, 118617}, {"", ""}}, {270.1981, 12.084306, "Meta"} -> 
    {{344573, 339217, 299289}, {"", ""}}, {412.1294, 12.085416, "Meta"} -> 
    {{122439, 122129, 113822}, {"", ""}}, {368.1654, 12.082582, "Meta"} -> 
    {{115286, 112230, 110815}, {"Testosterone sulfate [ C19 H28 O5 S, \
db=92.27, overall=46.13, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {498.1664, 12.083362, "Meta"} -> {{44643, 46734, 37839}, {"", ""}}, 
   {616.2339, 12.084806, "Meta"} -> {{100108, 90294, 88041}, {"", ""}}, 
   {243.2196, 12.102666, "Meta"} -> {{71439, 64670, 67054}, 
     {"2-amino-tetradecanoic acid [ C14 H29 N O2, db=84.12, overall=42.06, \
Lipid ID=, KEGG ID= ]", ""}}, {482.3452, 12.104295, "Meta"} -> 
    {{192049, 203804, 190980}, {"", ""}}, {234.1617, 12.111666, "Meta"} -> 
    {{63513, 59914, 55702}, {"", ""}}, {248.1769, 12.122094, "Meta"} -> 
    {{83065, 68314, 60148}, {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, \
db=79.54, overall=39.77, Lipid ID=, KEGG ID= ]", ""}}, 
   {291.2195, 12.120156, "Meta"} -> {{61946, 78297, 120616}, 
     {"Penbutolol [ C18 H29 N O2, db=68.40, overall=34.20, KEGG ID=C07416, \
CAS ID=38363-40-5 ]", "38363-40-5"}}, {837.5658, 12.128968, "Meta"} -> 
    {{28660, 29548, 28657}, {"", ""}}, {342.1837, 12.136654, "Meta"} -> 
    {{16988, 20314, 1}, {"Acitretin Ro 23-4750 [ C21 H26 O4, db=77.85, \
overall=38.93, KEGG ID=, CAS ID=121785-73-7 ]", "121785-73-7"}}, 
   {264.1359, 12.146778, "Meta"} -> {{424778, 461954, 435206}, {"", ""}}, 
   {222.1252, 12.146971, "Meta"} -> {{51068, 60194, 52920}, 
     {"Hydroxyibuprofen [ C13 H18 O3, db=74.22, overall=37.11, KEGG ID=, CAS \
ID=51146-55-5 ]", "51146-55-5"}}, {296.1624, 12.147417, "Meta"} -> 
    {{74246, 82502, 72522}, {"Lactone of PGF-MUM [ C16 H24 O5, db=79.76, \
overall=39.88, KEGG ID=, CAS ID= ]", ""}}, {282.1466, 12.147778, "Meta"} -> 
    {{673406, 715187, 645801}, {"Artemisinin [ C15 H22 O5, db=99.12, \
overall=49.56, KEGG ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {341.2723, 12.151607, "Meta"} -> {{20962, 16929, 16651}, {"", ""}}, 
   {380.1164, 12.147638, "Meta"} -> {{36613, 31530, 31820}, 
     {"Cys Gln Met [ C13 H24 N4 O5 S2, db=68.35, overall=34.18 ]", ""}}, 
   {306.1804, 12.177001, "Meta"} -> {{1, 1, 1}, {"Tetranor Iloprost [ C18 H26 \
O4, db=63.70, overall=31.85, KEGG ID=, CAS ID=93220-69-0 ]", "93220-69-0"}}, 
   {402.1937, 12.148144, "Meta"} -> {{50178, 51471, 17548}, 
     {"Pro Trp Thr [ C20 H26 N4 O5, db=72.34, overall=36.17 ]", ""}}, 
   {297.2667, 12.156, "Meta"} -> {{69148, 62413, 66675}, 
     {"(Z)-N-(2-hydroxyethyl)hexadec-7-enamide [ C18 H35 N O2, db=77.59, \
overall=38.79, KEGG ID=, CAS ID= ]", ""}}, {315.2772, 12.155445, "Meta"} -> 
    {{1167755, 1162107, 1104375}, {"", ""}}, {413.2455, 12.157277, "Meta"} -> 
    {{44349, 56966, 82192}, {"", ""}}, {313.2615, 12.160829, "Meta"} -> 
    {{221542, 448402, 108566}, {"", ""}}, {311.1518, 12.180069, "Meta"} -> 
    {{115023, 122210, 109359}, {"", ""}}, {299.9847, 12.185141, "Meta"} -> 
    {{2656584, 2188187, 1890227}, {"", ""}}, 
   {318.1804, 12.2324295, "Meta"} -> {{55638, 36331, 1}, 
     {"Ubiquinone (Q2) [ C19 H26 O4, db=42.47, overall=21.23, KEGG ID=, CAS \
ID=606-06-4 ]", "606-06-4"}}, {606.2023, 12.187666, "Meta"} -> 
    {{32107, 31858, 29976}, {"", ""}}, {462.2252, 12.1875, "Meta"} -> 
    {{120615, 129646, 128739}, {"Hydrocortisone succinate [ C25 H34 O8, \
db=96.63, overall=48.31, Lipid ID=LMST02030126, KEGG ID=C12888 ]", ""}}, 
   {525.2572, 12.187778, "Meta"} -> {{55427, 59479, 56091}, {"", ""}}, 
   {568.2631, 12.187808, "Meta"} -> {{17338, 19830, 16771}, {"", ""}}, 
   {621.1704, 12.188378, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {530.2126, 12.187939, "Meta"} -> {{130483, 131563, 106857}, 
     {"Trp Tyr Tyr [ C29 H30 N4 O6, db=72.13, overall=36.06 ]", ""}}, 
   {377.2329, 12.190221, "Meta"} -> {{239640, 240402, 219853}, 
     {"Val Leu Phe [ C20 H31 N3 O4, db=88.80, overall=44.40 ]", ""}}, 
   {628.2743, 12.1870985, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {420.2121, 12.200396, "Meta"} -> {{52850, 57013, 53351}, {"", ""}}, 
   {228.1723, 12.197486, "Meta"} -> {{46189, 42624, 24915}, 
     {"10-keto tridecanoic acid [ C13 H24 O3, db=61.20, overall=30.60, Lipid \
ID=LMFA01060042, KEGG ID= ]", ""}}, {372.191, 12.199401, "Meta"} -> 
    {{31965, 32739, 29048}, {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=56.89, \
overall=28.44, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {357.2698, 12.228862, "Meta"} -> {{747180, 887477, 811611}, {"", ""}}, 
   {199.1932, 12.220861, "Meta"} -> {{371544, 325691, 306391}, 
     {"dodecanamide [ C12 H25 N O, db=98.45, overall=49.22, Lipid ID=, KEGG \
ID= ]", ""}}, {259.2255, 12.222748, "Meta"} -> {{105377, 87375, 83459}, 
     {"", ""}}, {269.235, 12.2237425, "Meta"} -> {{1, 87105, 1}, {"", ""}}, 
   {719.5028, 12.228621, "Meta"} -> {{30301, 33450, 1}, {"", ""}}, 
   {664.2384, 12.227905, "Meta"} -> {{62081, 27798, 72225}, {"", ""}}, 
   {248.1768, 12.233333, "Meta"} -> {{1, 32410, 36314}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=72.21, \
overall=36.10, Lipid ID=, KEGG ID= ]", ""}}, {284.1987, 12.237692, "Meta"} -> 
    {{134145, 111683, 107942}, {"", ""}}, {262.1929, 12.242998, "Meta"} -> 
    {{431798, 424451, 379337}, {"5,8-heptadecadiynoic acid [ C17 H26 O2, \
db=98.55, overall=49.28, Lipid ID=, KEGG ID= ]", ""}}, 
   {533.3115, 12.239881, "Meta"} -> {{139641, 88342, 89549}, {"", ""}}, 
   {302.1855, 12.243556, "Meta"} -> {{380858, 401116, 351160}, 
     {"2-Methoxyestradiol [ C19 H26 O3, db=76.71, overall=38.36, HMP \
ID=HMDB00405, KEGG ID= ]", ""}}, {436.1856, 12.235857, "Meta"} -> 
    {{38742, 30929, 53174}, {"", ""}}, {596.3558, 12.249497, "Meta"} -> 
    {{20133, 22156, 23088}, {"", ""}}, {242.188, 12.252134, "Meta"} -> 
    {{43265, 1, 1}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
db=63.43, overall=31.71, Lipid ID=, KEGG ID= ]", ""}}, 
   {614.3666, 12.251577, "Meta"} -> {{37774, 50255, 39600}, {"", ""}}, 
   {512.1788, 12.245139, "Meta"} -> {{28297, 24144, 25874}, 
     {"10S,11R-epoxy-punaglandin 3 [ C25 H33 Cl O9, db=53.22, overall=26.61, \
Lipid ID=LMFA03120039, KEGG ID= ]", ""}}, {376.1882, 12.266801, "Meta"} -> 
    {{193595, 167456, 205413}, 
     {"Arg Val Cys [ C14 H28 N6 O4 S, db=75.82, overall=37.91 ]", ""}}, 
   {580.2321, 12.270332, "Meta"} -> {{237352, 237498, 229525}, {"", ""}}, 
   {630.2687, 12.26936, "Meta"} -> {{200661, 133293, 121677}, {"", ""}}, 
   {612.2583, 12.2699175, "Meta"} -> {{168351, 152375, 146654}, {"", ""}}, 
   {672.2793, 12.270498, "Meta"} -> {{113446, 102089, 92489}, {"", ""}}, 
   {658.2637, 12.2717495, "Meta"} -> {{46832, 40108, 38504}, {"", ""}}, 
   {644.2843, 12.27025, "Meta"} -> {{355682, 310092, 335243}, {"", ""}}, 
   {298.2154, 12.269302, "Meta"} -> {{51080, 48411, 1}, 
     {"8E-Heptadecenedioic acid [ C17 H30 O4, db=61.18, overall=30.59, Lipid \
ID=, KEGG ID= ]", ""}}, {336.1262, 12.278805, "Meta"} -> 
    {{39854, 34703, 34147}, {"", ""}}, {238.1567, 12.281195, "Meta"} -> 
    {{522052, 535033, 503448}, {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 \
H22 O3, db=97.15, overall=48.57, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {423.3348, 12.288555, "Meta"} -> {{874997, 983814, 909468}, {"", ""}}, 
   {311.2457, 12.286498, "Meta"} -> {{404882, 453307, 434959}, {"", ""}}, 
   {374.2429, 12.298686, "Meta"} -> {{70608, 62025, 60259}, 
     {"Digitoxigenin [ C23 H34 O4, db=53.68, overall=26.84, KEGG ID=, CAS \
ID=143-62-4 ]", "143-62-4"}}, {477.1899, 12.302515, "Meta"} -> 
    {{15714, 32283, 37052}, {"3,5-Pyridinedicarboxylic acid, \
2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino] [ C26 \
H27 N3 O6, db=59.31, overall=29.66, KEGG ID=, CAS ID=59875-58-0 ]", 
      "59875-58-0"}}, {768.4842, 12.295834, "Meta"} -> 
    {{43518, 42606, 44478}, {"", ""}}, {369.2874, 12.299877, "Meta"} -> 
    {{46683, 42808, 47257}, {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, \
db=64.19, overall=32.09, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {763.5288, 12.296454, "Meta"} -> {{1, 38745, 42829}, {"", ""}}, 
   {314.1884, 12.299144, "Meta"} -> {{62704, 59148, 102882}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=70.86, overall=35.43, KEGG ID=, \
CAS ID=38030-57-8 ]", "38030-57-8"}}, {271.2523, 12.302779, "Meta"} -> 
    {{113640, 98699, 127762}, {"2R-aminohexadecanoic acid [ C16 H33 N O2, \
db=52.07, overall=26.04, Lipid ID=, KEGG ID= ]", ""}}, 
   {625.346, 12.299999, "Meta"} -> {{179471, 331815, 171641}, 
     {"Glycochenodeoxycholic acid 3-glucuronide [ C32 H51 N O11, db=99.35, \
overall=49.68, HMP ID=HMDB02579, KEGG ID= ]", ""}}, 
   {342.1463, 12.310115, "Meta"} -> {{57134, 32549, 34445}, {"", ""}}, 
   {663.2926, 12.299033, "Meta"} -> {{29054, 30149, 27467}, {"", ""}}, 
   {372.2661, 12.3107815, "Meta"} -> {{36569, 41763, 39415}, 
     {"(22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid [ C24 H36 O3, db=66.95, \
overall=33.48, Lipid ID=, KEGG ID= ]", ""}}, {329.2566, 12.319615, "Meta"} -> 
    {{34558, 36772, 36377}, {"", ""}}, {265.2404, 12.332487, "Meta"} -> 
    {{60157, 61392, 52426}, {"", ""}}, {305.2328, 12.322701, "Meta"} -> 
    {{36561, 32492, 1}, {"", ""}}, {230.1879, 12.337853, "Meta"} -> 
    {{76486, 71842, 80452}, {"4-hydroxy-tridecanoic acid [ C13 H26 O3, \
db=63.86, overall=31.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {631.4503, 12.339085, "Meta"} -> {{77019, 83103, 78508}, {"", ""}}, 
   {312.1359, 12.347117, "Meta"} -> {{86746, 31020, 58649}, {"", ""}}, 
   {388.2607, 12.350721, "Meta"} -> {{60232, 39323, 53206}, 
     {"7,12-Dioxo-5beta-cholan-24-oic Acid [ C24 H36 O4, db=77.22, \
overall=38.61, Lipid ID=, KEGG ID= ]", ""}}, {328.2249, 12.339256, "Meta"} -> 
    {{135762, 84382, 74828}, {"9,12,13-trihydroxy-10,15-octadecadienoic acid \
[ C18 H32 O5, db=76.40, overall=38.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {425.3361, 12.35692, "Meta"} -> {{120770, 140804, 130880}, {"", ""}}, 
   {408.3088, 12.36271, "Meta"} -> {{143829, 164238, 151469}, {"", ""}}, 
   {281.2354, 12.3655615, "Meta"} -> {{187352, 1, 178662}, {"", ""}}, 
   {360.1656, 12.382274, "Meta"} -> {{89309, 73878, 70332}, 
     {"Leu Asn Asp [ C14 H24 N4 O7, db=77.19, overall=38.60 ]", ""}}, 
   {338.2439, 12.380382, "Meta"} -> {{52988, 68953, 67736}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=74.85, overall=37.42, KEGG ID=, \
CAS ID= ]", ""}}, {436.1472, 12.383839, "Meta"} -> 
    {{1, 49348, 53622}, {"", ""}}, {376.1198, 12.386286, "Meta"} -> 
    {{83581, 65425, 56845}, 
     {"Asp Asn Glu [ C13 H20 N4 O9, db=55.52, overall=27.76 ]", ""}}, 
   {278.1519, 12.387778, "Meta"} -> {{6178439, 4561920, 4135225}, {"", ""}}, 
   {148.0158, 12.3895, "Meta"} -> {{631449, 493412, 521878}, {"", ""}}, 
   {204.0784, 12.3909445, "Meta"} -> {{381994, 300572, 317355}, {"", ""}}, 
   {396.2873, 12.403235, "Meta"} -> {{152626, 141274, 149139}, 
     {"PGF2alpha isopropyl ester [ C23 H40 O5, db=87.08, overall=43.54, Lipid \
ID=LMFA03010076, KEGG ID= ]", ""}}, {276.17, 12.37928, "Meta"} -> 
    {{1, 15025, 18945}, {"cyclandelate [ C17 H24 O3, db=51.06, overall=25.53, \
KEGG ID=, CAS ID=456-59-7 ]", "456-59-7"}}, {607.326, 12.407581, "Meta"} -> 
    {{43139, 40045, 41561}, {"", ""}}, {675.4764, 12.4054, "Meta"} -> 
    {{56147, 67133, 65706}, {"", ""}}, {487.2618, 12.410424, "Meta"} -> 
    {{85939, 89431, 82522}, {"", ""}}, {562.256, 12.410714, "Meta"} -> 
    {{1, 38180, 33293}, {"Protoporphyrin [ C34 H34 N4 O4, db=79.79, \
overall=39.90, KEGG ID=C01079, CAS ID=553-12-8 ]", "553-12-8"}}, 
   {547.2891, 12.410121, "Meta"} -> {{101224, 102828, 98146}, {"", ""}}, 
   {449.3139, 12.410828, "Meta"} -> {{2178978, 2412789, 2264673}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=99.45, overall=49.73, HMP \
ID=HMDB00708, KEGG ID= ]", ""}}, {505.2336, 12.410571, "Meta"} -> 
    {{44729, 27145, 34792}, {"", ""}}, {431.3035, 12.411553, "Meta"} -> 
    {{1005223, 1111349, 1129920}, {"", ""}}, {413.2934, 12.41158, "Meta"} -> 
    {{339971, 400022, 393233}, {"", ""}}, {491.3008, 12.412041, "Meta"} -> 
    {{88157, 46790, 1}, {"", ""}}, {1312.7719, 12.4140005, "Meta"} -> 
    {{18342, 23941, 21715}, {"", ""}}, {851.5811, 12.417131, "Meta"} -> 
    {{1, 35886, 34616}, {"C20-OHSulfatide [ C44 H85 N O12 S, db=89.76, \
overall=44.88, Lipid ID=LMSP06020005, KEGG ID= ]", ""}}, 
   {467.301, 12.424151, "Meta"} -> {{1119917, 1025395, 732478}, 
     {"Myristoyl L-a-lysophosphatidylcholine [ C22 H46 N O7 P, db=96.32, \
overall=48.16, KEGG ID=, CAS ID=20559-16-4 ]", "20559-16-4"}}, 
   {469.361, 12.42775, "Meta"} -> {{185312, 207118, 201942}, {"", ""}}, 
   {452.3344, 12.426857, "Meta"} -> {{327751, 362570, 330086}, {"", ""}}, 
   {505.2485, 12.426792, "Meta"} -> {{61448, 46435, 45337}, {"", ""}}, 
   {863.4587, 12.424135, "Meta"} -> {{24704, 28736, 28563}, {"", ""}}, 
   {614.2372, 12.435374, "Meta"} -> {{29576, 17705, 25149}, {"", ""}}, 
   {324.0821, 12.4366255, "Meta"} -> {{1604645, 14102, 127723}, {"", ""}}, 
   {274.2141, 12.443, "Meta"} -> {{578850, 446204, 459561}, 
     {"2,15-dihydroxy-pentadecylic acid [ C15 H30 O4, db=98.78, \
overall=49.39, Lipid ID=LMFA01050082, KEGG ID= ]", ""}}, 
   {256.2038, 12.44312, "Meta"} -> {{41154, 27450, 33323}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=62.07, overall=31.03, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {352.171, 12.430658, "Meta"} -> 
    {{47892, 46474, 49722}, {"", ""}}, {370.1815, 12.436501, "Meta"} -> 
    {{93615, 86022, 58960}, {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 \
H30 O5 S, db=68.09, overall=34.04, KEGG ID=, CAS ID=977-36-6 ]", 
      "977-36-6"}}, {500.1792, 12.433194, "Meta"} -> 
    {{33993, 30670, 29027}, {"gamma-Hydroxyphenylbutazone glucuronide [ C25 \
H28 N2 O9, db=72.50, overall=36.25, KEGG ID=, CAS ID= ]", ""}}, 
   {588.225, 12.436315, "Meta"} -> {{87002, 92485, 87438}, {"", ""}}, 
   {504.2695, 12.450472, "Meta"} -> {{91205, 90559, 90617}, {"", ""}}, 
   {528.189, 12.4353895, "Meta"} -> {{70467, 72386, 66538}, {"", ""}}, 
   {414.1453, 12.441296, "Meta"} -> {{40785, 37117, 1}, {"", ""}}, 
   {270.2135, 12.456722, "Meta"} -> {{524680, 360698, 362805}, {"", ""}}, 
   {292.167, 12.460268, "Meta"} -> {{105830, 146416, 158143}, {"", ""}}, 
   {719.5026, 12.466721, "Meta"} -> {{47724, 50687, 50090}, {"", ""}}, 
   {399.3347, 12.47114, "Meta"} -> {{1499987, 1703144, 1680069}, 
     {"Palmitoylcarnitine [ C23 H45 N O4, db=99.77, overall=49.89, Lipid \
ID=LMFA07070004, KEGG ID=C02990 ]", ""}}, {182.1666, 12.464886, "Meta"} -> 
    {{32259, 32196, 32495}, {"7E,9Z-dodecadien-1-ol [ C12 H22 O, db=80.52, \
overall=40.26, Lipid ID=, KEGG ID= ]", ""}}, {242.1878, 12.468251, "Meta"} -> 
    {{271516, 350495, 324596}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 \
O3, db=62.18, overall=31.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {895.6074, 12.470839, "Meta"} -> {{1, 25724, 28816}, {"", ""}}, 
   {496.3607, 12.486807, "Meta"} -> {{1, 260311, 92225}, {"", ""}}, 
   {513.3873, 12.487667, "Meta"} -> {{232883, 267042, 257834}, {"", ""}}, 
   {384.1933, 12.488749, "Meta"} -> {{83454, 66314, 75157}, {"", ""}}, 
   {250.1204, 12.488947, "Meta"} -> {{45802, 28743, 39956}, 
     {"Ubiquinone [ C14 H18 O4, db=74.11, overall=37.06, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {409.3186, 12.504228, "Meta"} -> 
    {{1, 23549, 20263}, {"", ""}}, {374.2808, 12.501667, "Meta"} -> 
    {{61604, 79338, 88318}, {"3beta-Hydroxychol-4-en-24-oic Acid [ C24 H38 \
O3, db=92.13, overall=46.07, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2756, 12.501445, "Meta"} -> {{109805, 125154, 102065}, {"", ""}}, 
   {356.2712, 12.505676, "Meta"} -> {{98453, 153419, 129135}, 
     {"4,8,12,15,19,21-tetracosahexaenoic acid [ C24 H36 O2, db=94.78, \
overall=47.39, Lipid ID=, KEGG ID= ]", ""}}, {546.153, 12.509251, "Meta"} -> 
    {{19808, 30131, 23460}, {"", ""}}, {331.2721, 12.510544, "Meta"} -> 
    {{33912, 30857, 1}, {"", ""}}, {449.314, 12.51639, "Meta"} -> 
    {{4261529, 4607556, 4301205}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, \
db=99.24, overall=49.62, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {562.2545, 12.516361, "Meta"} -> {{1, 57664, 1}, 
     {"Protoporphyrin [ C34 H34 N4 O4, db=70.11, overall=35.05, KEGG \
ID=C01079, CAS ID=553-12-8 ]", "553-12-8"}}, {505.2343, 12.514931, "Meta"} -> 
    {{61023, 51797, 40775}, {"", ""}}, {487.2613, 12.517092, "Meta"} -> 
    {{116252, 129166, 155658}, {"", ""}}, {942.5912, 12.517724, "Meta"} -> 
    {{48694, 55764, 75389}, {"", ""}}, {391.3102, 12.521373, "Meta"} -> 
    {{127568, 26642, 120812}, {"N,N-(2,2-dihydroxy-ethyl) arachidonoyl amine \
[ C24 H41 N O3, db=41.49, overall=20.74, Lipid ID=LMFA08020028, KEGG ID= ]", 
      ""}}, {768.484, 12.522172, "Meta"} -> {{30468, 35552, 30899}, 
     {"", ""}}, {547.2912, 12.518182, "Meta"} -> {{111483, 137461, 143279}, 
     {"", ""}}, {763.5285, 12.522705, "Meta"} -> {{35055, 39809, 39184}, 
     {"", ""}}, {612.2584, 12.528093, "Meta"} -> {{97070, 130313, 73937}, 
     {"", ""}}, {537.3427, 12.543621, "Meta"} -> {{62775, 69411, 1}, 
     {"GPEtn(10:0/11:0)[U] [ C26 H52 N O8 P, db=59.82, overall=29.91, Lipid \
ID=LMGP02010053, KEGG ID= ]", ""}}, {425.2543, 12.535178, "Meta"} -> 
    {{30787, 41464, 43204}, {"GPEtn(14:0/0:0) [ C19 H40 N O7 P, db=66.09, \
overall=33.05, Lipid ID=LMGP02050003, KEGG ID= ]", ""}}, 
   {557.4136, 12.545144, "Meta"} -> {{259046, 301287, 281461}, {"", ""}}, 
   {355.2721, 12.554709, "Meta"} -> {{1, 125204, 106582}, {"", ""}}, 
   {225.2089, 12.554222, "Meta"} -> {{147569, 142545, 129723}, {"", ""}}, 
   {650.3645, 12.549894, "Meta"} -> {{40835, 1, 36417}, 
     {"Digoxigenin bisdigitoxoside [ C35 H54 O11, db=73.18, overall=36.59, \
KEGG ID=, CAS ID=5297-05-2 ]", "5/2/97"}}, {580.2348, 12.5748005, "Meta"} -> 
    {{146991, 129139, 112433}, {"", ""}}, {501.3662, 12.573688, "Meta"} -> 
    {{91017, 93317, 93910}, {"", ""}}, {434.2881, 12.585032, "Meta"} -> 
    {{8504192, 5659773, 395863}, {"(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-th\
iavitamin D3 3-oxide / (5Z)-(3S)-1alpha,25-dihydroxy-3-deo [ C26 H42 O3 S, \
db=73.08, overall=36.54, Lipid ID=LMST03020052, KEGG ID= ]", ""}}, 
   {467.3008, 12.5836935, "Meta"} -> {{1.09*^7, 8870361, 9730206}, 
     {"Myristoyl L-a-lysophosphatidylcholine [ C22 H46 N O7 P, db=97.87, \
overall=48.94, KEGG ID=, CAS ID=20559-16-4 ]", "20559-16-4"}}, 
   {505.2486, 12.583806, "Meta"} -> {{547860, 444091, 481441}, {"", ""}}, 
   {565.2755, 12.582859, "Meta"} -> {{395378, 342766, 377197}, 
     {" [ C32 H39 N O8, overall=43.39, mfg=86.78 ]", ""}}, 
   {451.3146, 12.585577, "Meta"} -> {{4452843, 3112479, 235424}, {"", ""}}, 
   {279.2563, 12.585971, "Meta"} -> {{782205, 916539, 895812}, {"", ""}}, 
   {319.2485, 12.586908, "Meta"} -> {{1, 636505, 738386}, 
     {"N-hydroxy arachidonoyl amine [ C20 H33 N O2, db=80.38, overall=40.19, \
Lipid ID=LMFA08020029, KEGG ID= ]", ""}}, {625.3125, 12.582887, "Meta"} -> 
    {{64364, 70192, 72803}, {"", ""}}, {499.2697, 12.597638, "Meta"} -> 
    {{281052, 338568, 377894}, {"", ""}}, {584.4132, 12.599159, "Meta"} -> 
    {{350583, 366565, 338528}, {"", ""}}, {601.4399, 12.599721, "Meta"} -> 
    {{255444, 283281, 272787}, {"", ""}}, {246.2193, 12.616779, "Meta"} -> 
    {{106635, 102185, 118488}, {"", ""}}, {367.4175, 12.6358, "Meta"} -> 
    {{17504, 14461, 16547}, {"", ""}}, {579.2638, 12.629876, "Meta"} -> 
    {{193939, 160945, 166114}, {"", ""}}, {541.3169, 12.629602, "Meta"} -> 
    {{1, 1352312, 1477463}, {"", ""}}, {639.2913, 12.632768, "Meta"} -> 
    {{69220, 59360, 1}, 
     {" [ C33 H41 N3 O10, db=0.00, overall=27.22, mfg=54.45 ]", ""}}, 
   {425.3506, 12.640696, "Meta"} -> {{2011729, 2248406, 2203225}, {"", ""}}, 
   {185.1413, 12.638656, "Meta"} -> {{99262, 87947, 96208}, 
     {"N-methyl-Gabapentin [ C10 H19 N O2, db=81.22, overall=40.61, KEGG ID=, \
CAS ID=102937-74-6 ]", "102937-74-6"}}, {285.2666, 12.643584, "Meta"} -> 
    {{29646, 1, 23885}, {"C17 Sphingosine [ C17 H35 N O2, db=57.52, \
overall=28.76, Lipid ID=LMSP01040002, KEGG ID= ]", ""}}, 
   {327.277, 12.625759, "Meta"} -> {{83071, 42082, 61290}, {"", ""}}, 
   {821.5705, 12.638498, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {268.24, 12.642863, "Meta"} -> {{82710, 90067, 89161}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=79.16, overall=39.58, Lipid \
ID=LMFA01030060, KEGG ID= ]", ""}}, {545.3922, 12.643999, "Meta"} -> 
    {{68312, 76316, 79621}, {"", ""}}, {302.1891, 12.6535015, "Meta"} -> 
    {{35098, 30686, 21878}, {"2-Methoxyestradiol [ C19 H26 O3, db=65.37, \
overall=32.69, HMP ID=HMDB00405, KEGG ID= ]", ""}}, 
   {650.4213, 12.651346, "Meta"} -> {{1, 257426, 239096}, {"", ""}}, 
   {645.466, 12.651555, "Meta"} -> {{233916, 266248, 253401}, {"", ""}}, 
   {335.2434, 12.66379, "Meta"} -> {{1, 1, 567154}, {"", ""}}, 
   {256.2034, 12.661515, "Meta"} -> {{1, 17252, 25243}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=61.28, overall=30.64, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {493.3169, 12.66411, "Meta"} -> 
    {{1702126, 1640377, 1761782}, {"", ""}}, {531.2641, 12.663871, "Meta"} -> 
    {{130540, 109432, 102218}, {"", ""}}, {590.3068, 12.671346, "Meta"} -> 
    {{1, 57574, 1}, {"D-Urobilinogen [ C33 H42 N4 O6, db=52.07, \
overall=26.03, HMP ID=HMDB04158, KEGG ID= ]", ""}}, 
   {396.1935, 12.680503, "Meta"} -> {{98276, 70600, 62702}, 
     {"Pregnenolone sulfate [ C21 H32 O5 S, db=36.59, overall=18.29, HMP \
ID=HMDB00774, KEGG ID= ]", ""}}, {632.5102, 12.680666, "Meta"} -> 
    {{1, 87500, 85638}, {"", ""}}, {865.5968, 12.684233, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {395.2349, 12.689027, "Meta"} -> 
    {{78753, 105167, 91580}, {"", ""}}, {379.2488, 12.687057, "Meta"} -> 
    {{801992, 920192, 935856}, {"Sphingosine-1-phosphate [ C18 H38 N O5 P, \
db=99.36, overall=49.68, KEGG ID=, CAS ID=26993-30-6 ]", "26993-30-6"}}, 
   {319.2487, 12.687944, "Meta"} -> {{2910020, 1903639, 2028522}, 
     {"N-hydroxy arachidonoyl amine [ C20 H33 N O2, db=82.57, overall=41.29, \
Lipid ID=LMFA08020029, KEGG ID= ]", ""}}, {279.2564, 12.689749, "Meta"} -> 
    {{3457626, 3059505, 2826677}, {"", ""}}, {342.3243, 12.690058, "Meta"} -> 
    {{125921, 102341, 113912}, {"", ""}}, {352.236, 12.696232, "Meta"} -> 
    {{181769, 1, 135875}, {"", ""}}, {180.0781, 12.695332, "Meta"} -> 
    {{54581, 43585, 52450}, {"o-Methoxyhydrocinnamic acid [ C10 H12 O3, \
db=82.64, overall=41.32, KEGG ID=, CAS ID= ]", ""}}, 
   {314.1855, 12.695227, "Meta"} -> {{328437, 220677, 293431}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=73.03, overall=36.52, KEGG ID=, \
CAS ID=38030-57-8 ]", "38030-57-8"}}, {309.2304, 12.69561, "Meta"} -> 
    {{559105, 362372, 511709}, {"", ""}}, {475.2699, 12.694333, "Meta"} -> 
    {{201612, 230309, 229010}, {"", ""}}, {236.1406, 12.695944, "Meta"} -> 
    {{46353, 30832, 54190}, {"", ""}}, {689.4924, 12.699888, "Meta"} -> 
    {{203982, 232762, 223718}, {"", ""}}, {672.4659, 12.699749, "Meta"} -> 
    {{257673, 270641, 259623}, {"", ""}}, {609.351, 12.6962595, "Meta"} -> 
    {{72516, 136985, 114343}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl [ C32 H51 N O10, \
db=94.76, overall=47.38, HMP ID=HMDB02474, KEGG ID= ]", ""}}, 
   {382.2147, 12.704666, "Meta"} -> {{25935, 1, 11193}, 
     {"3,12-Dioxochola-1,4,9(11)-trien-24-oic Acid [ C24 H30 O4, db=73.34, \
overall=36.67, Lipid ID=, KEGG ID= ]", ""}}, {589.4187, 12.706942, "Meta"} -> 
    {{59663, 60052, 58143}, {"", ""}}, {307.2718, 12.7117195, "Meta"} -> 
    {{23803, 17468, 35889}, {"", ""}}, {270.2192, 12.709618, "Meta"} -> 
    {{86514, 103242, 87228}, {"3-keto palmitic acid [ C16 H30 O3, db=85.03, \
overall=42.52, Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, 
   {537.217, 12.694345, "Meta"} -> {{42010, 30799, 34679}, {"", ""}}, 
   {499.2698, 12.711946, "Meta"} -> {{414916, 427718, 415534}, {"", ""}}, 
   {300.2299, 12.716436, "Meta"} -> {{67257, 230820, 248838}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=79.78, overall=39.89, \
Lipid ID=, KEGG ID= ]", ""}}, {630.4941, 12.715778, "Meta"} -> 
    {{46182, 49765, 43765}, {"", ""}}, {252.2085, 12.716553, "Meta"} -> 
    {{32039, 1, 26635}, {"2E,4E-hexadecadienoic acid [ C16 H28 O2, db=73.15, \
overall=36.57, Lipid ID=, KEGG ID= ]", ""}}, {914.5783, 12.727905, "Meta"} -> 
    {{35475, 37766, 37158}, {"", ""}}, {280.2014, 12.73493, "Meta"} -> 
    {{1, 44720, 38145}, 
     {"12S-HHTrE [ C17 H28 O3, db=42.31, overall=21.16, KEGG ID=, CAS ID= ]", 
      ""}}, {329.2928, 12.71444, "Meta"} -> {{850976, 1, 390166}, {"", ""}}, 
   {355.2179, 12.744277, "Meta"} -> {{66166, 73518, 78633}, 
     {"p-Hydroxypropoxyphene [ C22 H29 N O3, db=63.66, overall=31.83, KEGG \
ID=, CAS ID=43117-32-4 ]", "43117-32-4"}}, {240.2085, 12.740068, "Meta"} -> 
    {{41464, 47209, 51139}, {"2-pentadecenoic acid [ C15 H28 O2, db=72.07, \
overall=36.04, Lipid ID=, KEGG ID= ]", ""}}, {573.2378, 12.738915, "Meta"} -> 
    {{50012, 34466, 33629}, {"", ""}}, {874.5164, 12.745845, "Meta"} -> 
    {{93287, 64782, 54538}, {"Ivermectin B1a [ C48 H74 O14, db=21.59, \
overall=10.80, KEGG ID=C07970, CAS ID=71827-03-7 ]", "71827-03-7"}}, 
   {615.29, 12.742728, "Meta"} -> {{111311, 94618, 138347}, {"", ""}}, 
   {393.2191, 12.747176, "Meta"} -> {{62816, 97393, 77873}, {"", ""}}, 
   {733.5184, 12.745, "Meta"} -> {{160986, 180960, 173693}, {"", ""}}, 
   {716.4917, 12.745065, "Meta"} -> {{194600, 212983, 192704}, {"", ""}}, 
   {517.3169, 12.746193, "Meta"} -> {{8360037, 5874130, 6612261}, 
     {"Linolenoyl lysolecithin [ C26 H48 N O7 P, db=99.00, overall=49.50, \
KEGG ID=, CAS ID=63163-01-9 ]", "63163-01-9"}}, 
   {555.2641, 12.744076, "Meta"} -> {{415197, 315171, 317658}, 
     {"Leucine Enkephalin [ C28 H37 N5 O7, db=46.08, overall=23.04, KEGG ID=, \
CAS ID=81678-16-2 ]", "81678-16-2"}}, {1096.581, 12.747542, "Meta"} -> 
    {{315112, 226930, 254340}, {"", ""}}, {1058.6335, 12.748626, "Meta"} -> 
    {{1091989, 539498, 700304}, {"", ""}}, {451.2698, 12.751194, "Meta"} -> 
    {{272988, 281707, 235352}, {"", ""}}, {1104.6042, 12.750401, "Meta"} -> 
    {{530400, 32521, 37824}, {"", ""}}, {594.238, 12.752146, "Meta"} -> 
    {{107764, 63530, 66879}, {"", ""}}, {1661.8961, 12.749751, "Meta"} -> 
    {{151263, 67896, 91400}, {"", ""}}, {295.2514, 12.752306, "Meta"} -> 
    {{4934893, 8610042, 9004535}, {"", ""}}, {646.5257, 12.745705, "Meta"} -> 
    {{42700, 43698, 47085}, {"", ""}}, {654.2522, 12.751028, "Meta"} -> 
    {{166645, 106035, 114101}, {"", ""}}, {541.3161, 12.752888, "Meta"} -> 
    {{1.97*^7, 1.3*^7, 1.4*^7}, {"", ""}}, {597.2377, 12.750058, "Meta"} -> 
    {{162144, 107870, 123705}, {"", ""}}, {579.2647, 12.7531395, "Meta"} -> 
    {{980562, 817577, 895237}, 
     {" [ C32 H39 N2 O8, db=0.00, overall=32.44, mfg=64.87 ]", ""}}, 
   {710.2763, 12.752368, "Meta"} -> {{41484, 30154, 34356}, {"", ""}}, 
   {639.2909, 12.752972, "Meta"} -> {{244024, 208041, 256198}, 
     {" [ C33 H41 N3 O10, db=0.00, overall=34.40, mfg=68.80 ]", ""}}, 
   {563.2865, 12.751833, "Meta"} -> {{78803, 52393, 57762}, {"", ""}}, 
   {278.2243, 12.768029, "Meta"} -> {{209414, 236610, 229879}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=76.66, overall=38.33, Lipid \
ID=LMFA01030148, KEGG ID= ]", ""}}, {958.6044, 12.764857, "Meta"} -> 
    {{33847, 27199, 32404}, {"", ""}}, {1613.8976, 12.766002, "Meta"} -> 
    {{144091, 75427, 97411}, {"", ""}}, {358.1711, 12.782434, "Meta"} -> 
    {{39909, 34800, 38255}, {"", ""}}, {298.1468, 12.782714, "Meta"} -> 
    {{1, 40255, 40480}, {"", ""}}, {345.1374, 12.7813015, "Meta"} -> 
    {{19015, 18178, 17162}, {"", ""}}, {200.1773, 12.781779, "Meta"} -> 
    {{91782, 96673, 100006}, {"Lauric acid [ C12 H24 O2, db=93.72, \
overall=46.86, KEGG ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, 
   {214.1929, 12.781723, "Meta"} -> {{58811, 61771, 63481}, 
     {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, db=85.75, overall=42.87, \
KEGG ID=, CAS ID= ]", ""}}, {254.224, 12.784, "Meta"} -> 
    {{99940, 82121, 68996}, {"7-palmitoleic acid [ C16 H30 O2, db=89.68, \
overall=44.84, Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, 
   {1072.5817, 12.78529, "Meta"} -> {{478655, 301025, 1}, {"", ""}}, 
   {777.5449, 12.788111, "Meta"} -> {{119109, 136593, 133382}, {"", ""}}, 
   {294.2171, 12.80724, "Meta"} -> {{1, 146206, 1}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=65.45, overall=32.73, \
Lipid ID=, KEGG ID= ]", ""}}, {986.6337, 12.798241, "Meta"} -> 
    {{1462336, 785876, 978279}, {"", ""}}, {483.3767, 12.801028, "Meta"} -> 
    {{135700, 154332, 147191}, {"", ""}}, {466.3504, 12.800827, "Meta"} -> 
    {{200161, 232385, 210549}, {"", ""}}, {515.2983, 12.801221, "Meta"} -> 
    {{3925103, 2965557, 3014552}, {"", ""}}, {272.1993, 12.802755, "Meta"} -> 
    {{69415, 260328, 1}, {"3-methyl-tetradecanedioic acid [ C15 H28 O4, \
db=87.86, overall=43.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {1002.6305, 12.8012295, "Meta"} -> {{1, 34504, 35527}, {"", ""}}, 
   {1024.5826, 12.804735, "Meta"} -> {{593259, 316608, 447224}, {"", ""}}, 
   {591.2919, 12.809055, "Meta"} -> {{154671, 361979, 373899}, 
     {" [ C34 H41 N O8, db=0.00, overall=41.36, mfg=82.72 ]", ""}}, 
   {606.2508, 12.808973, "Meta"} -> {{205424, 124592, 140426}, {"", ""}}, 
   {493.3159, 12.811169, "Meta"} -> {{2.12*^7, 1.62*^7, 1.72*^7}, {"", ""}}, 
   {531.2643, 12.810324, "Meta"} -> {{1006728, 817233, 1}, {"", ""}}, 
   {549.2373, 12.808871, "Meta"} -> {{153277, 101954, 109791}, {"", ""}}, 
   {454.3057, 12.813647, "Meta"} -> {{24450, 27028, 26993}, 
     {"26,26,26-trifluoro-25-hydroxyvitamin D3 / \
26,26,26-trifluoro-25-hydroxycholecalciferol [ C27 H41 F3 O2, db=85.90, \
overall=42.95, Lipid ID=LMST03020131, KEGG ID= ]", ""}}, 
   {414.3129, 12.812971, "Meta"} -> {{44732, 54887, 45829}, 
     {"1alpha,25-dihydroxy-9,11-didehydrovitamin D_3 / \
1alpha,25-dihydroxy-9,11-didehydrocholecalciferol [ C27 H42 O3, db=82.66, \
overall=41.33, Lipid ID=LMST03020170, KEGG ID= ]", ""}}, 
   {596.2634, 12.8228445, "Meta"} -> {{42783, 36451, 42364}, {"", ""}}, 
   {437.2892, 12.8172, "Meta"} -> {{1, 58821, 35232}, {"", ""}}, 
   {682.4242, 12.824768, "Meta"} -> {{20675, 1, 24394}, {"", ""}}, 
   {398.2432, 12.822418, "Meta"} -> {{101082, 105679, 364328}, {"", ""}}, 
   {677.4712, 12.822635, "Meta"} -> {{26949, 30318, 30560}, {"", ""}}, 
   {256.2036, 12.822162, "Meta"} -> {{72974, 91948, 85252}, 
     {"11-keto pentadecanoic acid [ C15 H28 O3, db=61.54, overall=30.77, \
Lipid ID=LMFA01060048, KEGG ID= ]", ""}}, {826.5262, 12.818275, "Meta"} -> 
    {{145277, 120893, 1}, {"", ""}}, {280.2011, 12.8328, "Meta"} -> 
    {{1, 42115, 39750}, 
     {"12S-HHTrE [ C17 H28 O3, db=40.55, overall=20.28, KEGG ID=, CAS ID= ]", 
      ""}}, {821.5706, 12.8296385, "Meta"} -> {{95137, 106793, 105419}, 
     {"", ""}}, {240.2083, 12.832307, "Meta"} -> {{40520, 43097, 43123}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=72.97, overall=36.49, Lipid ID=, \
KEGG ID= ]", ""}}, {527.403, 12.835585, "Meta"} -> 
    {{246449, 275824, 270974}, {"", ""}}, {510.3765, 12.837113, "Meta"} -> 
    {{385564, 421816, 384104}, {"", ""}}, {901.4447, 12.842889, "Meta"} -> 
    {{35331, 41778, 42821}, {"", ""}}, {338.2438, 12.854486, "Meta"} -> 
    {{40220, 37322, 29694}, {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=56.30, \
overall=28.15, KEGG ID=, CAS ID= ]", ""}}, {885.4796, 12.842206, "Meta"} -> 
    {{116679, 128846, 134769}, {"", ""}}, {588.2239, 12.856218, "Meta"} -> 
    {{28536, 35422, 30123}, {"", ""}}, {414.1448, 12.856258, "Meta"} -> 
    {{20928, 28102, 22796}, {"", ""}}, {472.187, 12.863851, "Meta"} -> 
    {{20101, 23059, 20187}, 
     {"Trp His Met [ C22 H28 N6 O4 S, db=36.23, overall=18.12 ]", ""}}, 
   {865.5967, 12.867527, "Meta"} -> {{61131, 77697, 69150}, {"", ""}}, 
   {870.5522, 12.86621, "Meta"} -> {{75782, 70819, 58882}, {"", ""}}, 
   {515.2333, 12.872112, "Meta"} -> {{81039, 89351, 85560}, {"", ""}}, 
   {384.1824, 12.871333, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {554.4028, 12.871445, "Meta"} -> {{524891, 565632, 505349}, {"", ""}}, 
   {500.1787, 12.860778, "Meta"} -> {{33554, 38952, 32548}, 
     {"gamma-Hydroxyphenylbutazone glucuronide [ C25 H28 N2 O9, db=78.83, \
overall=39.41, KEGG ID=, CAS ID= ]", ""}}, {444.2075, 12.872678, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {477.2857, 12.872913, "Meta"} -> 
    {{1339886, 1254903, 1355611}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=70.03, overall=35.02 ]", ""}}, 
   {560.2004, 12.861138, "Meta"} -> {{20305, 22206, 21455}, {"", ""}}, 
   {571.4295, 12.871741, "Meta"} -> {{354381, 391288, 394821}, {"", ""}}, 
   {370.1814, 12.859806, "Meta"} -> {{107394, 133424, 110717}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=96.30, \
overall=48.15, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {468.1503, 12.861229, "Meta"} -> {{17677, 20020, 17917}, {"", ""}}, 
   {352.1708, 12.858888, "Meta"} -> {{30422, 36419, 32303}, {"", ""}}, 
   {286.2145, 12.873165, "Meta"} -> {{476614, 404821, 325236}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=98.68, overall=49.34, HMP \
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    {{179136, 142119, 125771}, {"9-lauroleic acid [ C12 H22 O2, db=98.26, \
overall=49.13, Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, 
   {346.2464, 12.87547, "Meta"} -> {{41923, 28747, 30306}, {"", ""}}, 
   {303.2406, 12.874667, "Meta"} -> {{158714, 137389, 121917}, {"", ""}}, 
   {110.1092, 12.874167, "Meta"} -> {{61741, 45759, 41639}, {"", ""}}, 
   {331.272, 12.874617, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {312.23, 12.861374, "Meta"} -> {{18957, 55939, 72090}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=73.37, \
overall=36.68, Lipid ID=, KEGG ID= ]", ""}}, {360.2661, 12.891426, "Meta"} -> 
    {{87340, 79074, 103339}, {"1alpha,23-dihydroxy-24,25,26,27-tetranorvitami\
n D3 / 1alpha,23-dihydroxy-24,25,26,27-tetranorcholeca [ C23 H36 O3, \
db=79.75, overall=39.88, Lipid ID=LMST03020020, KEGG ID= ]", ""}}, 
   {472.2434, 12.8901825, "Meta"} -> {{1, 53766, 42312}, {"", ""}}, 
   {548.23, 12.8912735, "Meta"} -> {{1, 18297, 15893}, {"", ""}}, 
   {342.2169, 12.894272, "Meta"} -> {{60919, 90180, 70719}, 
     {"Megestrol [ C22 H30 O3, db=77.08, overall=38.54, KEGG ID=C07120, CAS \
ID=3562-63-8 ]", "3562-63-8"}}, {256.2187, 12.893861, "Meta"} -> 
    {{39783, 55151, 63335}, {"", ""}}, {927.4605, 12.892209, "Meta"} -> 
    {{15563, 10543, 10449}, {"", ""}}, {911.496, 12.892471, "Meta"} -> 
    {{32727, 46926, 24335}, {"", ""}}, {539.2333, 12.903911, "Meta"} -> 
    {{110106, 123995, 137681}, {"", ""}}, {501.2855, 12.907584, "Meta"} -> 
    {{2670467, 2932058, 3002372}, {"Fexofenadine [ C32 H39 N O4, db=58.07, \
overall=29.03, KEGG ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {861.5497, 12.909751, "Meta"} -> {{32357, 39870, 35926}, {"", ""}}, 
   {519.3325, 12.914667, "Meta"} -> {{5.08*^7, 3.55*^7, 3.47*^7}, 
     {"1-Linoleoylphosphatidylcholine [ C26 H50 N O7 P, db=99.74, \
overall=49.87, KEGG ID=, CAS ID=5655-12-9 ]", "12/9/55"}}, 
   {1012.6501, 12.914031, "Meta"} -> {{971768, 659344, 814058}, {"", ""}}, 
   {635.2734, 12.919773, "Meta"} -> {{58773, 1, 48333}, {"", ""}}, 
   {1076.6128, 12.916134, "Meta"} -> {{537028, 440094, 742124}, {"", ""}}, 
   {557.2806, 12.91837, "Meta"} -> {{1091878, 1017393, 933281}, {"", ""}}, 
   {541.3017, 12.946648, "Meta"} -> {{1, 78665, 79748}, {"", ""}}, 
   {688.2915, 12.91703, "Meta"} -> {{92647, 95750, 94341}, {"", ""}}, 
   {853.5446, 12.919279, "Meta"} -> {{47368, 68380, 49985}, {"", ""}}, 
   {632.2664, 12.917572, "Meta"} -> {{207172, 138963, 136456}, {"", ""}}, 
   {1091.581, 12.917712, "Meta"} -> {{127208, 92403, 95877}, {"", ""}}, 
   {183.0655, 12.927937, "Meta"} -> {{249529, 192501, 218042}, {"", ""}}, 
   {1060.6475, 12.934857, "Meta"} -> {{3832135, 41056, 3421617}, {"", ""}}, 
   {1044.618, 12.990282, "Meta"} -> {{515263, 563112, 538024}, {"", ""}}, 
   {2658.6086, 13.000936, "Meta"} -> {{1, 97829, 103714}, {"", ""}}, 
   {239.0918, 12.93324, "Meta"} -> {{31022, 24573, 26941}, {"", ""}}, 
   {1619.9443, 12.934193, "Meta"} -> {{220874, 177193, 196321}, {"", ""}}, 
   {1000.6499, 12.928946, "Meta"} -> {{1044832, 787944, 1000977}, {"", ""}}, 
   {481.3173, 12.937497, "Meta"} -> {{2937882, 2592353, 2700870}, 
     {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=99.47, overall=49.74, Lipid \
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    {{381029, 334041, 338811}, {"", ""}}, {519.2655, 12.939625, "Meta"} -> 
    {{124279, 149405, 106840}, {"", ""}}, {617.3076, 12.924249, "Meta"} -> 
    {{235390, 272595, 270387}, {"", ""}}, {1661.919, 13.038292, "Meta"} -> 
    {{62179, 32179, 56993}, {"", ""}}, {659.482, 12.942501, "Meta"} -> 
    {{421939, 492402, 502659}, {"", ""}}, {953.6495, 12.939168, "Meta"} -> 
    {{30904, 32136, 35892}, {"", ""}}, {642.4556, 12.942776, "Meta"} -> 
    {{536253, 601197, 505708}, {"", ""}}, {543.3319, 12.949862, "Meta"} -> 
    {{2.72*^7, 1.77*^7, 2.33*^7}, {"Arachidonyl lysolecithin [ C28 H50 N O7 \
P, db=98.77, overall=49.38, KEGG ID=, CAS ID=63163-02-0 ]", "63163-02-0"}}, 
   {581.2797, 12.951424, "Meta"} -> {{665096, 8893, 570064}, {"", ""}}, 
   {656.2662, 12.954677, "Meta"} -> {{83674, 71985, 71224}, {"", ""}}, 
   {1673.9594, 13.010462, "Meta"} -> {{63856, 26758, 49993}, {"", ""}}, 
   {712.2917, 12.95822, "Meta"} -> {{47567, 42243, 38421}, {"", ""}}, 
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   {641.3042, 12.957588, "Meta"} -> {{126981, 183671, 135296}, {"", ""}}, 
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   {374.2817, 12.962293, "Meta"} -> {{12631, 14537, 1}, 
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   {523.2675, 12.97964, "Meta"} -> {{1, 108632, 1}, 
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   {791.5607, 13.040998, "Meta"} -> {{209446, 253756, 293320}, 
     {"Phosphatidylserine [ C42 H82 N O10 P, db=66.35, overall=33.17, HMP \
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   {617.3007, 13.047851, "Meta"} -> {{85258, 76640, 72783}, {"", ""}}, 
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    {{509859, 505165, 433363}, 
     {" [ C32 H41 N2 O8, db=0.00, overall=32.80, mfg=65.61 ]", ""}}, 
   {1109.1458, 13.055641, "Meta"} -> {{30699, 23392, 17898}, {"", ""}}, 
   {1148.6106, 13.078375, "Meta"} -> {{135974, 110190, 105795}, {"", ""}}, 
   {565.3148, 13.10748, "Meta"} -> {{1, 753097, 799876}, {"", ""}}, 
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   {605.2795, 13.091028, "Meta"} -> {{191639, 184847, 157679}, {"", ""}}, 
   {413.1753, 13.097616, "Meta"} -> {{32214, 28706, 39810}, 
     {"6-HydroxyKetanserinol [ C22 H24 F N3 O4, db=69.07, overall=34.54, KEGG \
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   {368.1178, 13.0997505, "Meta"} -> {{178647, 185795, 141477}, {"", ""}}, 
   {428.1498, 13.105187, "Meta"} -> {{29613, 35052, 17982}, {"", ""}}, 
   {884.5686, 13.102304, "Meta"} -> {{189051, 207747, 143951}, {"", ""}}, 
   {879.6129, 13.101585, "Meta"} -> {{186731, 214982, 240957}, 
     {"C22-OH Sulfatide [ C46 H89 N O12 S, db=91.18, overall=45.59, Lipid \
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    {{1, 312472, 290564}, {"", ""}}, {1014.6646, 13.105733, "Meta"} -> 
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   {1547.9456, 13.121827, "Meta"} -> {{225196, 300785, 253388}, {"", ""}}, 
   {533.28, 13.1384115, "Meta"} -> {{989672, 1116681, 947319}, {"", ""}}, 
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   {923.6393, 13.128447, "Meta"} -> {{142848, 208171, 219185}, {"", ""}}, 
   {369.2878, 13.135938, "Meta"} -> {{32191, 38001, 49886}, 
     {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, db=66.03, overall=33.01, \
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    {{1953127, 2096957, 1}, {"Linolenoyl lysolecithin [ C26 H48 N O7 P, \
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   {280.2016, 13.128001, "Meta"} -> {{1, 15391, 1}, 
     {"12S-HHTrE [ C17 H28 O3, db=67.26, overall=33.63, KEGG ID=, CAS ID= ]", 
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     {"Digitoxigenin [ C23 H34 O4, db=51.93, overall=25.96, KEGG ID=, CAS \
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    {{1, 56362, 63894}, {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 \
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   {967.665, 13.152544, "Meta"} -> {{123883, 125588, 150643}, {"", ""}}, 
   {859.5254, 13.156605, "Meta"} -> {{120899, 107117, 90150}, {"", ""}}, 
   {284.235, 13.1601715, "Meta"} -> {{206428, 203455, 197214}, 
     {"2-oxo-heptadecanoic acid [ C17 H32 O3, db=99.17, overall=49.59, Lipid \
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    {{82551, 92001, 58594}, {"", ""}}, {415.1816, 13.160233, "Meta"} -> 
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     {"Pro His Tyr [ C20 H25 N5 O5, db=56.87, overall=28.44 ]", ""}}, 
   {400.2138, 13.160443, "Meta"} -> {{160105, 159030, 127318}, 
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   {360.0762, 13.162133, "Meta"} -> {{18712, 22666, 11090}, {"", ""}}, 
   {418.1866, 13.1605, "Meta"} -> {{42456, 38719, 29999}, 
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   {435.2755, 13.168929, "Meta"} -> {{28104, 26829, 26687}, {"", ""}}, 
   {362.278, 13.161973, "Meta"} -> {{119471, 130130, 118341}, {"", ""}}, 
   {460.2394, 13.160829, "Meta"} -> {{42675, 40369, 36396}, 
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   {658.292, 13.164111, "Meta"} -> {{40336, 42745, 32928}, {"", ""}}, 
   {210.198, 13.161266, "Meta"} -> {{37745, 38632, 42720}, 
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    {{1, 1, 1}, {"GPEtn(13:0/10:0)[U] [ C28 H56 N O8 P, db=59.24, \
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   {585.4455, 13.17, "Meta"} -> {{176979, 221055, 284120}, {"", ""}}, 
   {396.2874, 13.171314, "Meta"} -> {{29577, 26658, 23549}, 
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    {{58499, 62274, 71869}, {"", ""}}, {413.3138, 13.174972, "Meta"} -> 
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     {"Trp Met Arg [ C22 H33 N7 O4 S, db=87.08, overall=43.54 ]", ""}}, 
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     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=99.55, overall=49.78, Lipid \
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    {{102309, 73377, 83019}, {"", ""}}, {629.4713, 13.1857195, "Meta"} -> 
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   {503.3012, 13.232915, "Meta"} -> {{84442, 46670, 63481}, {"", ""}}, 
   {717.5241, 13.237333, "Meta"} -> {{368179, 428953, 461594}, 
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    {{106287, 1, 101877}, {"", ""}}, {462.2955, 13.254001, "Meta"} -> 
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    {{96467, 105213, 85758}, {"4,8-dimethyl-dodecanoic acid [ C14 H28 O2, \
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    {{941640, 1027187, 920855}, {"1-heptadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetr\
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    {{6791151, 6453983, 8200871}, {"", ""}}, 
   {1165.6327, 13.499093, "Meta"} -> {{215320, 219226, 197449}, {"", ""}}, 
   {1151.618, 13.505199, "Meta"} -> {{178420, 1, 206257}, {"", ""}}, 
   {988.6857, 13.50629, "Meta"} -> {{281556, 355229, 468774}, {"", ""}}, 
   {339.2883, 13.506903, "Meta"} -> {{1, 190369, 205924}, {"", ""}}, 
   {517.285, 13.498918, "Meta"} -> {{165840, 164141, 182407}, {"", ""}}, 
   {765.5234, 13.503918, "Meta"} -> {{123567, 71794, 112450}, {"", ""}}, 
   {1399.899, 13.508409, "Meta"} -> {{40521, 49426, 42030}, {"", ""}}, 
   {1050.7004, 13.5051985, "Meta"} -> {{502940, 332292, 539044}, {"", ""}}, 
   {1026.6353, 13.507728, "Meta"} -> {{52489, 69952, 63218}, {"", ""}}, 
   {1092.7122, 13.491323, "Meta"} -> {{260230, 462551, 775283}, {"", ""}}, 
   {477.1903, 13.515063, "Meta"} -> {{52775, 43639, 57595}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=52.47, overall=26.23, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {279.2562, 13.510799, "Meta"} -> 
    {{1073990, 446405, 988834}, {"", ""}}, {1123.622, 13.4977045, "Meta"} -> 
    {{49666, 1, 71318}, {"", ""}}, {598.2433, 13.509795, "Meta"} -> 
    {{36573, 38047, 28864}, {"", ""}}, {846.5917, 13.509481, "Meta"} -> 
    {{1077028, 236444, 201842}, {"", ""}}, {863.6182, 13.510503, "Meta"} -> 
    {{1038515, 1042687, 990314}, {"C22 Sulfatide [ C46 H89 N O11 S, db=87.95, \
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   {885.5996, 13.517038, "Meta"} -> {{1, 94319, 74527}, {"", ""}}, 
   {612.2584, 13.509334, "Meta"} -> {{398700, 466439, 354550}, {"", ""}}, 
   {580.2323, 13.509277, "Meta"} -> {{618457, 712432, 534364}, {"", ""}}, 
   {547.2957, 13.523854, "Meta"} -> {{322509, 363335, 350839}, {"", ""}}, 
   {644.2847, 13.51143, "Meta"} -> {{914919, 1082376, 1}, {"", ""}}, 
   {509.3475, 13.52603, "Meta"} -> {{1.32*^7, 1.22*^7, 1.24*^7}, {"", ""}}, 
   {658.2652, 13.513304, "Meta"} -> {{74429, 63021, 45485}, {"", ""}}, 
   {607.3208, 13.524964, "Meta"} -> {{154102, 176098, 168315}, {"", ""}}, 
   {907.6449, 13.525166, "Meta"} -> {{1120772, 1142088, 1126724}, 
     {"3-O-Sulfogalactosylceramide [ C48 H93 N O12 S, db=86.45, \
overall=43.23, HMP ID=HMDB00024, KEGG ID= ]", ""}}, 
   {890.6182, 13.524207, "Meta"} -> {{1005873, 1144158, 160018}, {"", ""}}, 
   {720.3006, 13.519515, "Meta"} -> {{42051, 48558, 31745}, {"", ""}}, 
   {672.2796, 13.517088, "Meta"} -> {{279277, 356667, 213312}, {"", ""}}, 
   {571.3639, 13.521864, "Meta"} -> {{6180376, 4714964, 5772101}, {"", ""}}, 
   {354.2171, 13.571854, "Meta"} -> {{50492, 18715, 52883}, 
     {"Levonorgestrel acetate [ C23 H30 O3, db=64.58, overall=32.29, KEGG \
ID=, CAS ID=13732-69-9 ]", "13732-69-9"}}, {814.5046, 13.536868, "Meta"} -> 
    {{137608, 56274, 84740}, {"", ""}}, {809.5497, 13.531092, "Meta"} -> 
    {{91406, 56972, 84586}, {"", ""}}, {734.3164, 13.525888, "Meta"} -> 
    {{126054, 134409, 101804}, {"", ""}}, {299.2825, 13.542036, "Meta"} -> 
    {{108930, 80135, 80143}, {"3-Dehydrosphinganine [ C18 H37 N O2, db=93.67, \
overall=46.83, KEGG ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {706.3211, 13.528087, "Meta"} -> {{62251, 67850, 55066}, {"", ""}}, 
   {1369.8884, 13.563042, "Meta"} -> {{1, 26187, 168236}, {"", ""}}, 
   {934.6437, 13.537066, "Meta"} -> {{86733, 137296, 102525}, {"", ""}}, 
   {951.6706, 13.535638, "Meta"} -> {{1174394, 1214629, 1202991}, {"", ""}}, 
   {395.3035, 13.538113, "Meta"} -> {{340850, 256554, 326506}, {"", ""}}, 
   {400.2588, 13.538917, "Meta"} -> {{870244, 741833, 753643}, 
     {"Ophiobolin A [ C25 H36 O4, db=54.29, overall=27.15, Lipid \
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    {{215038, 160428, 211975}, {"Diphenoxylate [ C30 H32 N2 O2, db=83.13, \
overall=41.56, KEGG ID=C07872, CAS ID=915-30-0 ]", "915-30-0"}}, 
   {354.2765, 13.544889, "Meta"} -> {{5835827, 5204678, 5524965}, 
     {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 O4, db=86.35, \
overall=43.17, KEGG ID=, CAS ID= ]", ""}}, {491.2062, 13.533772, "Meta"} -> 
    {{63229, 74686, 61730}, 
     {"Tyr Phe Tyr [ C27 H29 N3 O6, db=57.52, overall=28.76 ]", ""}}, 
   {414.3093, 13.543919, "Meta"} -> {{541446, 526624, 560385}, {"", ""}}, 
   {371.3036, 13.545373, "Meta"} -> {{1926191, 1470861, 1707054}, {"", ""}}, 
   {1000.6522, 13.561621, "Meta"} -> {{104315, 749374, 118586}, {"", ""}}, 
   {995.6966, 13.547221, "Meta"} -> {{939712, 965570, 916725}, {"", ""}}, 
   {262.2296, 13.545572, "Meta"} -> {{343744, 300921, 343278}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=92.20, overall=46.10, Lipid \
ID=, KEGG ID= ]", ""}}, {396.2665, 13.645791, "Meta"} -> 
    {{1, 1, 51690}, {"", ""}}, {508.8397, 13.549695, "Meta"} -> 
    {{170422, 177634, 164910}, {"", ""}}, {1022.6367, 13.552206, "Meta"} -> 
    {{105022, 143245, 117773}, {"", ""}}, {267.2559, 13.55222, "Meta"} -> 
    {{170164, 224456, 242221}, {"", ""}}, {853.5758, 13.555092, "Meta"} -> 
    {{69828, 45885, 59720}, {"", ""}}, {501.2539, 13.558999, "Meta"} -> 
    {{26195, 27875, 55894}, {"", ""}}, {858.5316, 13.556654, "Meta"} -> 
    {{58596, 1, 51226}, {"", ""}}, {1028.648, 13.573232, "Meta"} -> 
    {{85035, 73485, 101477}, {"", ""}}, {837.5203, 13.564915, "Meta"} -> 
    {{1, 14507, 1}, {"", ""}}, {519.8613, 13.559681, "Meta"} -> 
    {{70102, 82774, 77275}, {"", ""}}, {1056.7491, 13.56075, "Meta"} -> 
    {{212082, 177114, 189935}, {"", ""}}, {530.8529, 13.562063, "Meta"} -> 
    {{198273, 204380, 190334}, {"", ""}}, {463.3064, 13.56053, "Meta"} -> 
    {{773857, 883676, 1038833}, {"", ""}}, {334.1441, 13.569034, "Meta"} -> 
    {{1, 1, 1}, {"Arg Cys Gly [ C11 H22 N6 O4 S, db=50.72, overall=25.36 ]", 
      ""}}, {376.1987, 13.568419, "Meta"} -> {{23231, 42075, 33554}, 
     {"Glu Thr Lys [ C15 H28 N4 O7, db=67.35, overall=33.68 ]", ""}}, 
   {316.1717, 13.568858, "Meta"} -> {{23056, 21087, 1}, 
     {"Ala Asn Leu [ C13 H24 N4 O5, db=54.09, overall=27.05 ]", ""}}, 
   {278.2244, 13.568999, "Meta"} -> {{197957, 212993, 195774}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=86.05, overall=43.02, Lipid \
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    {{394311, 369128, 357802}, {"", ""}}, {1088.7043, 13.572557, "Meta"} -> 
    {{504899, 535180, 587402}, {"", ""}}, {1110.6956, 13.577559, "Meta"} -> 
    {{1, 1, 162444}, {"", ""}}, {960.6902, 13.570629, "Meta"} -> 
    {{76145, 72921, 111859}, {"", ""}}, {902.5572, 13.5793, "Meta"} -> 
    {{33488, 30878, 38864}, {"", ""}}, {897.6025, 13.580344, "Meta"} -> 
    {{60651, 33817, 47482}, {"", ""}}, {294.2172, 13.592863, "Meta"} -> 
    {{43759, 48135, 46449}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, \
db=68.48, overall=34.24, Lipid ID=, KEGG ID= ]", ""}}, 
   {466.3728, 13.589202, "Meta"} -> {{1, 60517, 1}, {"", ""}}, 
   {519.3001, 13.581778, "Meta"} -> {{204900, 210413, 248562}, {"", ""}}, 
   {594.2896, 13.585677, "Meta"} -> {{48421, 39052, 1}, 
     {" [ C33 H42 N2 O8, db=0.00, overall=30.00, mfg=60.00 ]", ""}}, 
   {1132.7306, 13.584446, "Meta"} -> {{321412, 387484, 357870}, {"", ""}}, 
   {481.3526, 13.5835, "Meta"} -> {{1.*^7, 9717621, 1.19*^7}, 
     {"1-O-Hexadecyl-2-lyso-glycero-3-phosphorylcholine [ C24 H52 N O6 P, \
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   {579.3257, 13.584827, "Meta"} -> {{138278, 139793, 159205}, {"", ""}}, 
   {421.3402, 13.600849, "Meta"} -> {{829620, 584402, 496456}, {"", ""}}, 
   {364.2589, 13.5994625, "Meta"} -> {{145988, 1, 1}, 
     {"11-deoxy-16,16-dimethyl-PGE2 [ C22 H36 O4, db=63.57, overall=31.78, \
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    {{589081, 500218, 456964}, {"", ""}}, {1545.9933, 13.579229, "Meta"} -> 
    {{56326, 52568, 56938}, {"", ""}}, {1176.7563, 13.596857, "Meta"} -> 
    {{382819, 323576, 318287}, {"", ""}}, {404.3139, 13.602781, "Meta"} -> 
    {{3349947, 3180091, 2505958}, {"", ""}}, {599.8735, 13.598457, "Meta"} -> 
    {{1, 53085, 48166}, {"", ""}}, {946.5852, 13.60276, "Meta"} -> 
    {{1, 1, 16884}, {"", ""}}, {547.3639, 13.597056, "Meta"} -> 
    {{1.01*^7, 6348861, 1.02*^7}, {"", ""}}, {941.6301, 13.598959, "Meta"} -> 
    {{1, 51809, 59401}, {"", ""}}, {585.3108, 13.596875, "Meta"} -> 
    {{270121, 253182, 276859}, {"", ""}}, {358.2483, 13.611223, "Meta"} -> 
    {{43974, 63472, 63695}, {"", ""}}, {312.2663, 13.609001, "Meta"} -> 
    {{1209664, 1120853, 932453}, {"18-oxo-nonadecanoic acid [ C19 H36 O3, \
db=91.98, overall=45.99, Lipid ID=, KEGG ID= ]", ""}}, 
   {1215.8278, 13.60837, "Meta"} -> {{1, 298694, 1}, {"", ""}}, 
   {1220.7823, 13.607741, "Meta"} -> {{178532, 265331, 175222}, {"", ""}}, 
   {1232.8549, 13.610902, "Meta"} -> {{220391, 193072, 207085}, {"", ""}}, 
   {451.3062, 13.630885, "Meta"} -> {{1, 1, 123279}, {"", ""}}, 
   {773.5247, 13.616361, "Meta"} -> {{1, 1, 21493}, {"", ""}}, 
   {1264.8105, 13.619029, "Meta"} -> {{146948, 167408, 99049}, {"", ""}}, 
   {993.6999, 13.622969, "Meta"} -> {{29813, 30751, 37681}, {"", ""}}, 
   {629.9261, 13.618459, "Meta"} -> {{1, 325533, 1}, {"", ""}}, 
   {271.2509, 13.618684, "Meta"} -> {{24741, 40665, 33840}, 
     {"2R-aminohexadecanoic acid [ C16 H33 N O2, db=94.88, overall=47.44, \
Lipid ID=, KEGG ID= ]", ""}}, {367.1602, 13.626543, "Meta"} -> 
    {{1, 20612, 17828}, {"prasterone sulfate [ C19 H27 O5 S, db=49.48, \
overall=24.74, KEGG ID=, CAS ID=78590-17-7 ]", "78590-17-7"}}, 
   {1276.8809, 13.6216545, "Meta"} -> {{232514, 181758, 191765}, {"", ""}}, 
   {254.2244, 13.625055, "Meta"} -> {{284278, 300527, 160679}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=96.21, overall=48.11, Lipid \
ID=LMFA01030055, KEGG ID= ]", ""}}, {356.2328, 13.633856, "Meta"} -> 
    {{130276, 110156, 112542}, {"Estradiol valerate [ C23 H32 O3, db=47.05, \
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   {370.17, 13.628917, "Meta"} -> {{18444, 1, 1}, {"", ""}}, 
   {352.1935, 13.626401, "Meta"} -> {{66748, 85268, 1}, {"", ""}}, 
   {308.235, 13.627833, "Meta"} -> {{2502384, 2092588, 2868344}, 
     {"methyl 9,10-epoxy-12,15-octadecadienoate [ C19 H32 O3, db=72.91, \
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    {{50860, 51897, 75598}, {"6,11-hexadecadienal [ C16 H28 O, db=62.84, \
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    {{87424, 110582, 84558}, {"ZK 159222 [ C32 H48 O5, db=76.77, \
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   {325.2617, 13.630723, "Meta"} -> {{322185, 247307, 365895}, 
     {"50oxo-ETE-d7 [ C20 H23 D7 O3, db=54.79, overall=27.39, Lipid \
ID=LMFA03060083, KEGG ID= ]", ""}}, {472.3549, 13.629856, "Meta"} -> 
    {{47027, 39744, 40599}, {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehyd\
ro-23-oxavitamin D3 / 26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=78.46, \
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   {290.2243, 13.629774, "Meta"} -> {{144563, 126232, 159672}, 
     {"Androsterone [ C19 H30 O2, db=84.81, overall=42.40, KEGG ID=C00523, \
CAS ID=53-41-8 ]", "53-41-8"}}, {1303.8798, 13.632357, "Meta"} -> 
    {{1, 103276, 105175}, {"", ""}}, {1308.8383, 13.623311, "Meta"} -> 
    {{70090, 90292, 73252}, {"", ""}}, {1320.9062, 13.631161, "Meta"} -> 
    {{195081, 151906, 150388}, {"", ""}}, {484.3163, 13.628167, "Meta"} -> 
    {{67513, 72899, 51653}, {"", ""}}, {589.3743, 13.630784, "Meta"} -> 
    {{228285, 187368, 221112}, {"", ""}}, {1347.9061, 13.640295, "Meta"} -> 
    {{111783, 273276, 1}, {"", ""}}, {1364.9329, 13.639176, "Meta"} -> 
    {{171014, 145548, 144202}, {"", ""}}, {543.3015, 13.631483, "Meta"} -> 
    {{22833, 27889, 33896}, {"", ""}}, {268.2188, 13.641944, "Meta"} -> 
    {{853822, 901296, 886273}, {"", ""}}, {505.3532, 13.638071, "Meta"} -> 
    {{1389509, 1204615, 1}, {"", ""}}, {1408.9576, 13.652612, "Meta"} -> 
    {{154939, 103512, 111594}, {"", ""}}, {1418.8726, 13.652807, "Meta"} -> 
    {{1, 105178, 71672}, {"", ""}}, {380.2538, 13.661728, "Meta"} -> 
    {{32249, 31040, 29454}, {"16,16-dimethyl-PGE2 [ C22 H36 O5, db=43.84, \
overall=21.92, Lipid ID=LMFA03010065, KEGG ID= ]", ""}}, 
   {277.2381, 13.661151, "Meta"} -> {{1, 26974, 218499}, {"", ""}}, 
   {456.3809, 13.659138, "Meta"} -> {{40867, 90779, 73031}, {"", ""}}, 
   {1452.9851, 13.655355, "Meta"} -> {{111214, 89962, 95844}, {"", ""}}, 
   {1462.9037, 13.658624, "Meta"} -> {{63843, 1, 52560}, {"", ""}}, 
   {1457.9413, 13.6546545, "Meta"} -> {{135090, 1, 1}, {"", ""}}, 
   {535.364, 13.656915, "Meta"} -> {{1000026, 920348, 2008665}, {"", ""}}, 
   {315.2885, 13.664111, "Meta"} -> {{420413, 447021, 443599}, {"", ""}}, 
   {255.2563, 13.666528, "Meta"} -> {{1949953, 1888962, 1592745}, {"", ""}}, 
   {1497.008, 13.670268, "Meta"} -> {{98181, 66164, 58442}, {"", ""}}, 
   {300.3139, 13.665778, "Meta"} -> {{32805, 16520, 32389}, {"", ""}}, 
   {750.9837, 13.667515, "Meta"} -> {{1, 26682, 49226}, {"", ""}}, 
   {1541.0359, 13.675578, "Meta"} -> {{68730, 42771, 64665}, {"", ""}}, 
   {561.3118, 13.6438, "Meta"} -> {{379977, 1, 1}, {"", ""}}, 
   {419.3251, 13.692777, "Meta"} -> {{426724, 339447, 368992}, {"", ""}}, 
   {585.5332, 13.689299, "Meta"} -> {{378126, 237842, 340619}, {"", ""}}, 
   {728.5284, 13.694607, "Meta"} -> {{244131, 360674, 322121}, 
     {" 1-heptadecanoyl, \
2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate [ C40 H75 N O8 P, \
db=67.05, overall=33.53, KEGG ID=, CAS ID= ]", ""}}, 
   {657.5026, 13.693542, "Meta"} -> {{65794, 50552, 52682}, {"", ""}}, 
   {745.5551, 13.695362, "Meta"} -> {{238874, 278031, 272295}, 
     {"GPEtn(18:0/18:1(9Z))[U] [ C41 H80 N O8 P, db=60.81, overall=30.41, \
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    {{524608, 451533, 425625}, {"", ""}}, {988.6896, 13.703807, "Meta"} -> 
    {{67993, 76366, 109461}, {"", ""}}, {481.3164, 13.701916, "Meta"} -> 
    {{5836081, 6390798, 7018955}, {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, \
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   {833.6076, 13.703074, "Meta"} -> {{686935, 590410, 562328}, {"", ""}}, 
   {742.5407, 13.7042, "Meta"} -> {{65045, 61770, 57939}, {"", ""}}, 
   {312.2665, 13.707916, "Meta"} -> {{1496532, 1352253, 1221780}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=99.80, overall=49.90, Lipid \
ID=, KEGG ID= ]", ""}}, {493.3533, 13.702571, "Meta"} -> 
    {{239526, 270275, 372203}, {"", ""}}, {758.5224, 13.708063, "Meta"} -> 
    {{300505, 294104, 261694}, {"", ""}}, {690.5228, 13.667901, "Meta"} -> 
    {{28099, 35665, 573469}, {"1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(7Z,1\
0Z,13Z,16Z-docosatetraenoyl)-sn-glycerol [ C45 H70 O5, db=79.54, \
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    {{33466, 29210, 24425}, {"", ""}}, {330.2764, 13.70722, "Meta"} -> 
    {{2.86*^7, 4.04*^7, 3.52*^7}, {"1-hexadecanoyl-sn-glycerol [ C19 H38 O4, \
db=96.78, overall=48.39, KEGG ID=, CAS ID= ]", ""}}, 
   {1359.0566, 13.708065, "Meta"} -> {{527390, 525346, 421502}, {"", ""}}, 
   {698.5018, 13.707211, "Meta"} -> {{114456, 127265, 107033}, {"", ""}}, 
   {347.3029, 13.707416, "Meta"} -> {{6955596, 4442646, 4059133}, {"", ""}}, 
   {1179.8202, 13.7051325, "Meta"} -> {{350323, 401034, 345218}, {"", ""}}, 
   {708.5384, 13.711206, "Meta"} -> {{95252, 84271, 73077}, {"", ""}}, 
   {446.2179, 13.704512, "Meta"} -> {{231744, 161749, 145502}, 
     {"Trp Glu Leu [ C22 H30 N4 O6, db=57.78, overall=28.89 ]", ""}}, 
   {428.2451, 13.707165, "Meta"} -> {{648893, 691664, 572629}, {"", ""}}, 
   {238.2293, 13.707944, "Meta"} -> {{453194, 365701, 326582}, 
     {"cis-11-Hexadecenal [ C16 H30 O, db=98.92, overall=49.46, KEGG ID=, CAS \
ID=53939-28-9 ]", "53939-28-9"}}, {443.2139, 13.701389, "Meta"} -> 
    {{189835, 164243, 193074}, {"", ""}}, {877.6339, 13.707833, "Meta"} -> 
    {{916328, 795116, 778828}, {"", ""}}, {390.3095, 13.707778, "Meta"} -> 
    {{1165811, 1496818, 1249141}, {"", ""}}, 
   {361.3191, 13.7076845, "Meta"} -> {{130849, 112401, 100716}, {"", ""}}, 
   {488.2747, 13.70686, "Meta"} -> {{139360, 138120, 114886}, 
     {"Hydrocortisone butyrate propionate [ C28 H40 O7, db=78.29, \
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   {636.4941, 13.70936, "Meta"} -> {{102781, 95098, 117784}, {"", ""}}, 
   {1205.8732, 13.708405, "Meta"} -> {{141619, 142983, 166736}, {"", ""}}, 
   {327.2883, 13.575701, "Meta"} -> {{74058, 60743, 56391}, {"", ""}}, 
   {875.5992, 13.708193, "Meta"} -> {{101626, 81308, 102014}, {"", ""}}, 
   {920.6385, 13.710331, "Meta"} -> {{1, 86208, 17037}, {"", ""}}, 
   {499.2362, 13.707289, "Meta"} -> {{78747, 82295, 72444}, {"", ""}}, 
   {660.4944, 13.711299, "Meta"} -> {{68771, 55393, 81099}, {"", ""}}, 
   {899.616, 13.707419, "Meta"} -> {{55424, 46732, 42910}, {"", ""}}, 
   {904.6328, 13.710101, "Meta"} -> {{214013, 1129272, 968713}, {"", ""}}, 
   {860.6077, 13.708208, "Meta"} -> {{831252, 127155, 933062}, {"", ""}}, 
   {497.3691, 13.71389, "Meta"} -> {{40862, 43737, 23768}, {"", ""}}, 
   {921.6601, 13.713472, "Meta"} -> {{1182695, 917175, 962510}, {"", ""}}, 
   {507.3686, 13.708972, "Meta"} -> {{3578780, 3589664, 4714675}, {"", ""}}, 
   {938.6867, 13.711778, "Meta"} -> {{79707, 88196, 92268}, {"", ""}}, 
   {284.2349, 13.715, "Meta"} -> {{135732, 133321, 159803}, 
     {"2-oxo-heptadecanoic acid [ C17 H32 O3, db=75.45, overall=37.73, Lipid \
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    {{150411, 84529, 72591}, {"", ""}}, {335.3185, 13.717598, "Meta"} -> 
    {{110926, 63416, 75569}, {"", ""}}, {965.6862, 13.719054, "Meta"} -> 
    {{1138860, 976014, 916131}, {"", ""}}, {982.7166, 13.718828, "Meta"} -> 
    {{120437, 61703, 50870}, {"Thermozeaxanthin-17/ Zeaxanthin glucoside \
ester [ C63 H98 O8, db=32.76, overall=16.38, Lipid ID=LMPR01070109, KEGG ID= \
]", ""}}, {482.8427, 13.7168665, "Meta"} -> {{34417, 35087, 31608}, 
     {"", ""}}, {992.6864, 13.722834, "Meta"} -> {{60505, 879414, 809524}, 
     {"", ""}}, {504.8561, 13.722639, "Meta"} -> {{48826, 51436, 44791}, 
     {"", ""}}, {1031.695, 13.723343, "Meta"} -> {{176428, 158623, 150641}, 
     {"", ""}}, {1009.7122, 13.727061, "Meta"} -> 
    {{1232059, 1161263, 1100104}, {"", ""}}, {1058.6993, 13.73592, "Meta"} -> 
    {{668946, 307401, 1}, {"", ""}}, {1053.7383, 13.736089, "Meta"} -> 
    {{1173312, 1029638, 1027208}, {"", ""}}, {338.2818, 13.758765, "Meta"} -> 
    {{29522, 30511, 27862}, {"", ""}}, {1119.7476, 13.730624, "Meta"} -> 
    {{257723, 1, 189151}, {"", ""}}, {1114.7919, 13.734138, "Meta"} -> 
    {{272851, 120863, 107853}, {"", ""}}, {1102.7205, 13.739172, "Meta"} -> 
    {{512824, 747430, 759964}, {"", ""}}, {1141.7909, 13.747208, "Meta"} -> 
    {{626144, 898871, 888201}, {"", ""}}, {1158.8184, 13.738751, "Meta"} -> 
    {{250453, 149116, 141130}, {"", ""}}, {1146.747, 13.749473, "Meta"} -> 
    {{432231, 625627, 639101}, {"", ""}}, {1202.8444, 13.744382, "Meta"} -> 
    {{294151, 133499, 134097}, {"Ganglioside GA2 (d18:1/26:1(17Z)) [ C64 H118 \
N2 O18, db=68.60, overall=34.30, HMP ID=HMDB04895, KEGG ID= ]", ""}}, 
   {1185.8173, 13.754801, "Meta"} -> {{823968, 775993, 704855}, {"", ""}}, 
   {1190.7725, 13.755764, "Meta"} -> {{390048, 528452, 567711}, {"", ""}}, 
   {1011.7083, 13.866961, "Meta"} -> {{67402, 72588, 1}, {"", ""}}, 
   {1234.7983, 13.766872, "Meta"} -> {{302036, 506064, 444683}, {"", ""}}, 
   {639.3065, 13.762452, "Meta"} -> {{174817, 189624, 146822}, 
     {"Protorifamycin I [ C35 H45 N O10, db=55.35, overall=27.68, Lipid \
ID=LMPK01000050, KEGG ID=C12246 ]", ""}}, {1229.8431, 13.765171, "Meta"} -> 
    {{708674, 662498, 1}, {"", ""}}, {636.3007, 13.76603, "Meta"} -> 
    {{376328, 135081, 249761}, {"", ""}}, {1246.8712, 13.768721, "Meta"} -> 
    {{294200, 190403, 99588}, {"", ""}}, {692.323, 13.76518, "Meta"} -> 
    {{74767, 1, 78466}, {"", ""}}, {579.284, 13.767687, "Meta"} -> 
    {{151825, 196925, 138105}, 
     {" [ C33 H41 N O8, db=0.00, overall=31.75, mfg=63.50 ]", ""}}, 
   {621.3346, 13.749526, "Meta"} -> {{691553, 796405, 699845}, {"", ""}}, 
   {1273.8698, 13.773914, "Meta"} -> {{521768, 299971, 474386}, {"", ""}}, 
   {1030.7332, 13.746588, "Meta"} -> {{964163, 1055055, 951396}, {"", ""}}, 
   {576.2868, 13.770852, "Meta"} -> {{94324, 100740, 117345}, {"", ""}}, 
   {1068.696, 13.763723, "Meta"} -> {{236084, 240398, 274272}, {"", ""}}, 
   {1278.8254, 13.776278, "Meta"} -> {{258043, 386607, 361580}, {"", ""}}, 
   {561.3117, 13.775912, "Meta"} -> {{1719685, 2396408, 1875109}, {"", ""}}, 
   {1339.8785, 13.780607, "Meta"} -> {{1, 199522, 155978}, {"", ""}}, 
   {567.3707, 13.7708, "Meta"} -> {{38410, 34448, 1}, {"", ""}}, 
   {1322.8525, 13.784331, "Meta"} -> {{144895, 213349, 203337}, {"", ""}}, 
   {1334.9222, 13.792586, "Meta"} -> {{1, 110048, 136917}, {"", ""}}, 
   {889.551, 13.800771, "Meta"} -> {{29259, 44690, 30010}, {"", ""}}, 
   {1099.6451, 13.763071, "Meta"} -> {{628193, 42744, 568006}, {"", ""}}, 
   {523.3653, 13.780612, "Meta"} -> {{1.15*^8, 1.15*^8, 1.23*^8}, 
     {"1-hexadecyl-2-acetyl-glycero-3-phosphocholine [ C26 H54 N O7 P, \
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   {865.5515, 13.794698, "Meta"} -> {{90586, 95454, 91811}, {"", ""}}, 
   {1058.2133, 13.77028, "Meta"} -> {{1, 290028, 281953}, {"", ""}}, 
   {1608.04, 13.77903, "Meta"} -> {{1692160, 1638970, 1862632}, {"", ""}}, 
   {2637.7942, 13.772834, "Meta"} -> {{432020, 1, 373277}, {"", ""}}, 
   {1046.7288, 13.771727, "Meta"} -> {{5.49*^7, 5.52*^7, 6.29*^7}, {"", ""}}, 
   {171.108, 13.797971, "Meta"} -> {{153697, 221272, 167243}, {"", ""}}, 
   {1366.8785, 13.790698, "Meta"} -> {{1, 195861, 176100}, {"", ""}}, 
   {398.1857, 13.79976, "Meta"} -> {{58300, 119768, 80494}, {"", ""}}, 
   {2131.4026, 13.776884, "Meta"} -> {{1665956, 1734442, 1749138}, {"", ""}}, 
   {321.2667, 13.802221, "Meta"} -> {{82579, 53409, 59343}, 
     {"Anandamide (18:3, n-6) [ C20 H35 N O2, db=98.53, overall=49.26, Lipid \
ID=LMFA08040003, KEGG ID= ]", ""}}, {1378.9491, 13.801964, "Meta"} -> 
    {{1, 125196, 124373}, {"", ""}}, {1410.9069, 13.799668, "Meta"} -> 
    {{1, 161170, 83862}, {"", ""}}, {326.2219, 13.802333, "Meta"} -> 
    {{70522, 86312, 72287}, {"3a-OH Desogestrel [ C22 H30 O2, db=65.76, \
overall=32.88, KEGG ID=, CAS ID=70805-84-4 ]", "70805-84-4"}}, 
   {495.3673, 13.825147, "Meta"} -> {{1, 162573, 265458}, {"", ""}}, 
   {1405.9486, 13.799881, "Meta"} -> {{147800, 159389, 292622}, {"", ""}}, 
   {345.2666, 13.810092, "Meta"} -> {{97558, 61683, 81432}, 
     {"Anandamide (20:5, n-3) [ C22 H35 N O2, db=85.48, overall=42.74, Lipid \
ID=LMFA08040008, KEGG ID= ]", ""}}, {328.2401, 13.805646, "Meta"} -> 
    {{102366, 51501, 1}, {"3,9,15-Docosatriynoic acid [ C22 H32 O2, db=84.46, \
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   {1422.9753, 13.803818, "Meta"} -> {{194822, 111917, 114171}, {"", ""}}, 
   {1330.8604, 13.71827, "Meta"} -> {{76063, 102371, 91191}, {"", ""}}, 
   {1454.929, 13.805271, "Meta"} -> {{124972, 176343, 138400}, {"", ""}}, 
   {536.5281, 13.803085, "Meta"} -> {{16778, 1, 1}, {"", ""}}, 
   {587.4892, 13.8079605, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1449.9736, 13.80397, "Meta"} -> {{100405, 241842, 238467}, {"", ""}}, 
   {341.3044, 13.817472, "Meta"} -> {{1281776, 1148071, 1212036}, {"", ""}}, 
   {354.3241, 13.811501, "Meta"} -> {{19642, 1, 1}, {"", ""}}, 
   {281.2712, 13.812444, "Meta"} -> {{1.14*^7, 7873058, 9791354}, 
     {"Oleamide [ C18 H35 N O, db=95.12, overall=47.56, KEGG ID=, CAS \
ID=301-02-0 ]", "301-02-0"}}, {1467.0009, 13.8062, "Meta"} -> 
    {{1, 118818, 119847}, {"", ""}}, {312.3138, 13.81286, "Meta"} -> 
    {{46728, 30775, 30445}, {"", ""}}, {841.5513, 13.813585, "Meta"} -> 
    {{309562, 482315, 322147}, {"", ""}}, {401.3155, 13.8185835, "Meta"} -> 
    {{1, 56062, 54574}, {"", ""}}, {326.3296, 13.8149185, "Meta"} -> 
    {{371206, 133321, 192683}, {"", ""}}, {856.5198, 13.818584, "Meta"} -> 
    {{100860, 100252, 88824}, {"", ""}}, {1511.0262, 13.81507, "Meta"} -> 
    {{1, 106129, 91113}, {"", ""}}, {376.2038, 13.804546, "Meta"} -> 
    {{33420, 152405, 22079}, {"fluorometholone [ C22 H29 F O4, db=59.20, \
overall=29.60, KEGG ID=, CAS ID=426-13-1 ]", "426-13-1"}}, 
   {887.643, 13.824824, "Meta"} -> {{161584, 141525, 164910}, {"", ""}}, 
   {262.2296, 13.822443, "Meta"} -> {{43478, 48187, 43278}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=86.48, overall=43.24, Lipid \
ID=, KEGG ID= ]", ""}}, {1555.054, 13.823677, "Meta"} -> 
    {{117019, 75097, 76640}, {"", ""}}, {1599.0771, 13.82784, "Meta"} -> 
    {{103262, 67615, 67605}, {"", ""}}, {393.1754, 13.824646, "Meta"} -> 
    {{33253, 34963, 27695}, 
     {"Thr His His [ C16 H23 N7 O5, db=62.69, overall=31.35 ]", ""}}, 
   {280.2402, 13.821678, "Meta"} -> {{330552, 560542, 516724}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.73, overall=42.36, \
Lipid ID=, KEGG ID= ]", ""}}, {404.272, 13.831084, "Meta"} -> 
    {{1, 28475, 1}, {"", ""}}, {318.1871, 13.828527, "Meta"} -> 
    {{23633, 30047, 24730}, {"", ""}}, {336.1598, 13.82475, "Meta"} -> 
    {{72272, 74316, 62908}, {"", ""}}, {742.5544, 13.829965, "Meta"} -> 
    {{43774, 33410, 37559}, {"", ""}}, {264.2449, 13.830167, "Meta"} -> 
    {{185140, 122742, 153818}, {"9,12-octadecadienal [ C18 H32 O, db=93.91, \
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    {{1, 19518, 10398}, {"", ""}}, {637.5649, 13.826834, "Meta"} -> 
    {{295069, 195489, 231922}, {"", ""}}, {1604.0345, 13.831274, "Meta"} -> 
    {{87378, 91075, 91158}, {"", ""}}, {917.6042, 13.830849, "Meta"} -> 
    {{238279, 265289, 285874}, {"", ""}}, {454.2603, 13.837749, "Meta"} -> 
    {{167902, 151353, 171981}, {"18-acetoxy-PGF2alpha-11-acetate [ C24 H38 \
O8, db=67.62, overall=33.81, Lipid ID=LMFA03010098, KEGG ID= ]", ""}}, 
   {1643.1019, 13.833906, "Meta"} -> {{78733, 1, 52782}, {"", ""}}, 
   {356.2921, 13.832834, "Meta"} -> {{5332350, 4790383, 5012422}, 
     {"1-(11E-octadecenoyl)-rac-glycerol [ C21 H40 O4, db=98.15, \
overall=49.07, KEGG ID=, CAS ID= ]", ""}}, {416.3249, 13.833222, "Meta"} -> 
    {{310437, 338875, 365139}, {"", ""}}, {296.2716, 13.837235, "Meta"} -> 
    {{1622995, 966205, 1479439}, {"10-methylene-octadecanoic acid [ C19 H36 \
O2, db=78.33, overall=39.16, Lipid ID=, KEGG ID= ]", ""}}, 
   {595.554, 13.834362, "Meta"} -> {{207028, 149419, 184147}, {"", ""}}, 
   {331.3083, 13.839138, "Meta"} -> {{1, 1, 28202}, {"", ""}}, 
   {1648.0614, 13.838582, "Meta"} -> {{89261, 1, 77851}, {"", ""}}, 
   {314.2819, 13.838939, "Meta"} -> {{733126, 667199, 744071}, 
     {"2-hydroxy-nonadecanoic acid [ C19 H38 O3, db=79.99, overall=40.00, \
Lipid ID=, KEGG ID= ]", ""}}, {359.3394, 13.840835, "Meta"} -> 
    {{101297, 52484, 67954}, {"", ""}}, {550.5438, 13.840639, "Meta"} -> 
    {{47487, 29060, 35694}, {"", ""}}, {345.3232, 13.839605, "Meta"} -> 
    {{19199, 11820, 12682}, {"", ""}}, {351.3135, 13.836865, "Meta"} -> 
    {{65482, 19159, 26866}, {"Anandamide (20:2, n-6) [ C22 H41 N O2, \
db=87.77, overall=43.88, Lipid ID=LMFA08040002, KEGG ID= ]", ""}}, 
   {589.5048, 13.843435, "Meta"} -> {{79388, 80181, 75748}, {"", ""}}, 
   {593.5384, 13.859751, "Meta"} -> {{36883, 21638, 29579}, {"", ""}}, 
   {486.3916, 13.846743, "Meta"} -> {{49372, 43793, 40112}, {"", ""}}, 
   {269.2717, 13.850058, "Meta"} -> {{221317, 161011, 200491}, {"", ""}}, 
   {958.5066, 13.858265, "Meta"} -> {{152637, 121721, 143323}, {"", ""}}, 
   {312.2662, 13.867914, "Meta"} -> {{543667, 463541, 582073}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=84.87, overall=42.44, Lipid \
ID=, KEGG ID= ]", ""}}, {376.1632, 13.867001, "Meta"} -> 
    {{77265, 58347, 65522}, {"", ""}}, {875.5037, 13.871608, "Meta"} -> 
    {{183532, 1, 148641}, {"", ""}}, {807.4806, 13.867861, "Meta"} -> 
    {{1381732, 1519795, 1418921}, {"", ""}}, {268.2402, 13.870259, "Meta"} -> 
    {{34195, 37262, 1}, {"9-heptadecylenic acid [ C17 H32 O2, db=81.99, \
overall=40.99, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {360.1681, 13.864379, "Meta"} -> {{64041, 75679, 63185}, 
     {"Leu Asn Asp [ C14 H24 N4 O7, db=34.15, overall=17.08 ]", ""}}, 
   {914.4793, 13.871298, "Meta"} -> {{43831, 37343, 25914}, {"", ""}}, 
   {418.1739, 13.870945, "Meta"} -> {{60534, 91770, 55565}, 
     {"Nimodipine [ C21 H26 N2 O7, db=61.54, overall=30.77, KEGG ID=C07267, \
CAS ID=66085-59-4 ]", "66085-59-4"}}, {662.2484, 13.876678, "Meta"} -> 
    {{47797, 63466, 60375}, {"", ""}}, {1103.5966, 13.872333, "Meta"} -> 
    {{1510903, 2600402, 2497484}, {"", ""}}, {346.1531, 13.871804, "Meta"} -> 
    {{268316, 727660, 555459}, {"", ""}}, {390.1788, 13.869486, "Meta"} -> 
    {{258731, 369916, 381269}, 
     {"Asp Lys Glu [ C15 H26 N4 O8, db=62.57, overall=31.29 ]", ""}}, 
   {1153.6309, 13.874, "Meta"} -> {{335383, 1, 415043}, {"", ""}}, 
   {328.1421, 13.873054, "Meta"} -> {{293572, 275505, 249538}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=67.54, overall=33.77 ]", ""}}, 
   {357.3227, 13.877501, "Meta"} -> {{112019, 47127, 1}, {"", ""}}, 
   {294.0996, 13.875195, "Meta"} -> {{114039, 121299, 109355}, {"", ""}}, 
   {1135.623, 13.873161, "Meta"} -> {{272661, 308050, 302431}, {"", ""}}, 
   {239.1157, 13.8723, "Meta"} -> {{29828, 26701, 1}, {"", ""}}, 
   {1189.6305, 13.875001, "Meta"} -> {{537786, 33270, 490254}, {"", ""}}, 
   {420.1898, 13.874806, "Meta"} -> {{18776, 26607, 20939}, 
     {"Gln His His [ C17 H24 N8 O5, db=42.13, overall=21.06 ]", ""}}, 
   {670.265, 13.873167, "Meta"} -> {{49086, 51207, 44785}, {"", ""}}, 
   {580.2324, 13.874638, "Meta"} -> {{4854692, 5215379, 5001458}, {"", ""}}, 
   {640.2526, 13.874076, "Meta"} -> {{140516, 157844, 144372}, {"", ""}}, 
   {612.2593, 13.875, "Meta"} -> {{2411787, 2682342, 3739606}, {"", ""}}, 
   {644.284, 13.875222, "Meta"} -> {{8406767, 9917262, 8581334}, {"", ""}}, 
   {1180.491, 13.877401, "Meta"} -> {{57457, 1, 1}, {"", ""}}, 
   {1254.532, 13.877502, "Meta"} -> {{106210, 133500, 16957}, {"", ""}}, 
   {864.3481, 13.876028, "Meta"} -> {{155978, 175157, 149633}, {"", ""}}, 
   {282.1003, 13.8762245, "Meta"} -> {{588561, 650277, 553338}, {"", ""}}, 
   {706.3213, 13.875223, "Meta"} -> {{566574, 641043, 545454}, {"", ""}}, 
   {1242.5096, 13.876581, "Meta"} -> {{44908, 1, 62276}, {"", ""}}, 
   {582.2468, 13.8751, "Meta"} -> {{7228781, 6496929, 1}, 
     {"Biliverdin IX [ C33 H34 N4 O6, db=45.81, overall=22.91, HMP \
ID=HMDB02309, KEGG ID=C00500, CAS ID= 114-25-0 ]", " 114-25-0"}}, 
   {896.3746, 13.876728, "Meta"} -> {{1, 1, 188800}, {"", ""}}, 
   {720.3007, 13.875195, "Meta"} -> {{331953, 374317, 307794}, {"", ""}}, 
   {908.3734, 13.876348, "Meta"} -> {{95200, 121141, 95902}, {"", ""}}, 
   {636.1519, 13.87985, "Meta"} -> {{69979, 73194, 1}, {"", ""}}, 
   {943.4197, 13.876037, "Meta"} -> {{121537, 142484, 113957}, {"", ""}}, 
   {1192.4886, 13.875974, "Meta"} -> {{815440, 43169, 202837}, {"", ""}}, 
   {1226.5306, 13.877594, "Meta"} -> {{1664078, 2013705, 248362}, {"", ""}}, 
   {314.1267, 13.875557, "Meta"} -> {{723653, 846196, 723291}, {"", ""}}, 
   {748.2959, 13.87564, "Meta"} -> {{126745, 147400, 116568}, {"", ""}}, 
   {734.3167, 13.875916, "Meta"} -> {{1041843, 1124031, 918953}, {"", ""}}, 
   {970.4116, 13.876899, "Meta"} -> {{116555, 153090, 112790}, {"", ""}}, 
   {867.3674, 13.8762865, "Meta"} -> {{272559, 357834, 240015}, {"", ""}}, 
   {926.3857, 13.876266, "Meta"} -> {{191642, 243022, 179789}, {"", ""}}, 
   {583.2517, 13.87564, "Meta"} -> {{2409539, 4299695, 3162702}, {"", ""}}, 
   {956.396, 13.876835, "Meta"} -> {{107498, 138800, 80677}, {"", ""}}, 
   {676.308, 13.876473, "Meta"} -> {{142585, 143648, 142301}, {"", ""}}, 
   {929.4038, 13.876501, "Meta"} -> {{119079, 157277, 114329}, {"", ""}}, 
   {672.2801, 13.875572, "Meta"} -> {{1980679, 2390918, 2023834}, {"", ""}}, 
   {493.2209, 13.875945, "Meta"} -> {{266665, 324182, 281120}, {"", ""}}, 
   {658.2643, 13.874903, "Meta"} -> {{394578, 492568, 363148}, {"", ""}}, 
   {1151.4832, 13.877482, "Meta"} -> {{54221, 77488, 43569}, {"", ""}}, 
   {961.4299, 13.877784, "Meta"} -> {{34660, 40849, 28096}, {"", ""}}, 
   {912.4054, 13.877669, "Meta"} -> {{426168, 549379, 365265}, {"", ""}}, 
   {762.3116, 13.876194, "Meta"} -> {{453160, 479132, 380022}, {"", ""}}, 
   {975.4451, 13.8780365, "Meta"} -> {{64292, 79068, 62009}, {"", ""}}, 
   {509.216, 13.87594, "Meta"} -> {{60892, 75234, 63186}, {"", ""}}, 
   {491.2056, 13.876723, "Meta"} -> {{281727, 362443, 306414}, 
     {"Tyr Phe Tyr [ C27 H29 N3 O6, db=65.06, overall=32.53 ]", ""}}, 
   {881.3826, 13.877259, "Meta"} -> {{48498, 1, 43863}, {"", ""}}, 
   {1193.664, 13.879387, "Meta"} -> {{321900, 431270, 473791}, {"", ""}}, 
   {582.7497, 13.876502, "Meta"} -> {{274281, 803305, 524518}, {"", ""}}, 
   {495.208, 13.876967, "Meta"} -> {{1, 62720, 43421}, 
     {"Trp Tyr Gln [ C25 H29 N5 O6, db=56.92, overall=28.46 ]", ""}}, 
   {616.2538, 13.877678, "Meta"} -> {{100959, 128201, 112075}, {"", ""}}, 
   {479.205, 13.876445, "Meta"} -> {{69069, 86276, 89412}, 
     {"Nicardipine [ C26 H29 N3 O6, db=70.81, overall=35.41, KEGG ID=C07264, \
CAS ID=55985-32-5 ]", "55985-32-5"}}, {878.365, 13.876516, "Meta"} -> 
    {{20704, 25637, 20634}, {"", ""}}, {567.2211, 13.876649, "Meta"} -> 
    {{180111, 175878, 171270}, {"", ""}}, {644.7861, 13.877095, "Meta"} -> 
    {{26308, 37685, 25667}, {"", ""}}, {461.195, 13.876152, "Meta"} -> 
    {{27433, 32573, 33883}, 
     {"Gln Trp Glu [ C21 H27 N5 O7, db=34.78, overall=17.39 ]", ""}}, 
   {298.1317, 13.878472, "Meta"} -> {{630255, 646703, 562153}, {"", ""}}, 
   {352.1394, 13.880392, "Meta"} -> {{31968, 30934, 1}, 
     {"Asn Tyr Gly [ C15 H20 N4 O6, db=68.82, overall=34.41 ]", ""}}, 
   {284.1158, 13.879252, "Meta"} -> {{354409, 388302, 299345}, {"", ""}}, 
   {477.1898, 13.879307, "Meta"} -> {{167934, 192656, 177310}, 
     {"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl \
2-[methyl(phenylmethyl)amino] [ C26 H27 N3 O6, db=74.18, overall=37.09, KEGG \
ID=, CAS ID=59875-58-0 ]", "59875-58-0"}}, {833.4963, 13.885234, "Meta"} -> 
    {{201011, 227556, 224158}, {"", ""}}, {1045.5562, 13.8920965, "Meta"} -> 
    {{19418, 23072, 21286}, {"", ""}}, {1095.5912, 13.892453, "Meta"} -> 
    {{34481, 36752, 37936}, {"", ""}}, {1048.5735, 13.892926, "Meta"} -> 
    {{47593, 49937, 51200}, {"", ""}}, {779.4516, 13.885543, "Meta"} -> 
    {{101607, 113581, 80301}, {"", ""}}, {918.6492, 13.8966, "Meta"} -> 
    {{524951, 74865, 76140}, {"", ""}}, {935.6756, 13.895752, "Meta"} -> 
    {{695270, 621985, 595960}, {"", ""}}, {891.6496, 13.895306, "Meta"} -> 
    {{516370, 449361, 456399}, {"C24 Sulfatide [ C48 H93 N O11 S, db=88.42, \
overall=44.21, Lipid ID=LMSP06020013, KEGG ID= ]", ""}}, 
   {749.4387, 13.89454, "Meta"} -> {{34854, 1, 1}, {"", ""}}, 
   {830.5967, 13.895909, "Meta"} -> {{1, 327355, 284089}, {"", ""}}, 
   {847.6232, 13.896607, "Meta"} -> {{308695, 298105, 290911}, {"", ""}}, 
   {979.702, 13.896585, "Meta"} -> {{854200, 753458, 660235}, {"", ""}}, 
   {1050.7274, 13.9000435, "Meta"} -> {{1, 76195, 1}, {"", ""}}, 
   {1028.6847, 13.898851, "Meta"} -> {{660164, 974381, 942195}, {"", ""}}, 
   {984.6579, 13.897518, "Meta"} -> {{708821, 748477, 32210}, {"", ""}}, 
   {1023.7278, 13.898656, "Meta"} -> {{893634, 785677, 787062}, {"", ""}}, 
   {962.6753, 13.896331, "Meta"} -> {{70385, 94995, 774674}, {"", ""}}, 
   {803.597, 13.898972, "Meta"} -> {{195083, 162969, 162929}, {"", ""}}, 
   {1006.7014, 13.900152, "Meta"} -> {{43493, 78622, 72120}, {"", ""}}, 
   {1067.7542, 13.901264, "Meta"} -> {{897662, 819972, 800718}, {"", ""}}, 
   {1094.7538, 13.901059, "Meta"} -> {{47728, 86648, 774249}, {"", ""}}, 
   {465.3222, 13.902696, "Meta"} -> {{1295041, 1226284, 1740765}, {"", ""}}, 
   {1138.7803, 13.90453, "Meta"} -> {{49081, 67030, 61123}, {"", ""}}, 
   {478.8288, 13.901231, "Meta"} -> {{54967, 49020, 46931}, {"", ""}}, 
   {996.7292, 13.904589, "Meta"} -> {{141632, 86523, 81412}, 
     {"TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,\
13Z,16Z,19Z))[iso3] [ C67 H96 O6, db=48.00, overall=24.00, Lipid \
ID=LMGL03012576, KEGG ID= ]", ""}}, {1160.7618, 13.905588, "Meta"} -> 
    {{642271, 804210, 132721}, {"", ""}}, {503.2691, 13.903366, "Meta"} -> 
    {{46670, 36589, 50426}, {"", ""}}, {522.8552, 13.904035, "Meta"} -> 
    {{202819, 163728, 171994}, {"", ""}}, {1001.6842, 13.904192, "Meta"} -> 
    {{163409, 146886, 140553}, {"", ""}}, {511.8639, 13.905617, "Meta"} -> 
    {{47469, 55922, 50435}, {"", ""}}, {544.8687, 13.907429, "Meta"} -> 
    {{253800, 232683, 211585}, {"", ""}}, {489.8508, 13.903928, "Meta"} -> 
    {{30617, 30168, 27173}, {"", ""}}, {1050.6691, 13.904042, "Meta"} -> 
    {{204722, 1, 1}, {"", ""}}, {1040.753, 13.906883, "Meta"} -> 
    {{208047, 121880, 161504}, {"", ""}}, {549.3798, 13.901501, "Meta"} -> 
    {{2201818, 1991758, 2194719}, {"", ""}}, {555.8901, 13.907157, "Meta"} -> 
    {{87825, 1658131, 98432}, {"", ""}}, {1248.8145, 13.916356, "Meta"} -> 
    {{48639, 1, 167754}, {"", ""}}, {591.8776, 13.913758, "Meta"} -> 
    {{82523, 1, 1}, {"", ""}}, {591.3753, 13.914109, "Meta"} -> 
    {{141574, 1, 1}, {"", ""}}, {1172.8337, 13.914706, "Meta"} -> 
    {{538775, 363216, 383705}, {"", ""}}, {643.9424, 13.918862, "Meta"} -> 
    {{781995, 780692, 777520}, {"", ""}}, {1243.8593, 13.917862, "Meta"} -> 
    {{1377069, 1334631, 1348943}, {"", ""}}, 
   {1216.8606, 13.917243, "Meta"} -> {{613565, 387505, 434563}, {"", ""}}, 
   {1292.8436, 13.918814, "Meta"} -> {{597140, 776338, 703718}, {"", ""}}, 
   {482.3011, 13.906962, "Meta"} -> {{282194, 244926, 328375}, {"", ""}}, 
   {1260.8875, 13.921888, "Meta"} -> {{667665, 518488, 436860}, {"", ""}}, 
   {1336.8698, 13.9245, "Meta"} -> {{526387, 667425, 299290}, 
     {"Ganglioside GA1 (d18:1/24:1(15Z)) [ C68 H124 N2 O23, db=60.87, \
overall=30.44, HMP ID=HMDB04906, KEGG ID= ]", ""}}, 
   {1304.9122, 13.925807, "Meta"} -> {{661260, 459037, 480414}, {"", ""}}, 
   {1309.8685, 13.923631, "Meta"} -> {{695743, 740295, 753269}, {"", ""}}, 
   {1331.9117, 13.925688, "Meta"} -> {{1136662, 1151644, 1109985}, {"", ""}}, 
   {1066.7665, 13.906301, "Meta"} -> {{179302, 212496, 183545}, {"", ""}}, 
   {1348.9387, 13.928513, "Meta"} -> {{663525, 500596, 504463}, {"", ""}}, 
   {1380.8955, 13.928842, "Meta"} -> {{434987, 184596, 1}, {"", ""}}, 
   {442.2608, 13.933564, "Meta"} -> {{194909, 190626, 165069}, {"", ""}}, 
   {1375.9377, 13.930394, "Meta"} -> {{935399, 1, 974264}, {"", ""}}, 
   {1392.9644, 13.933, "Meta"} -> {{522782, 408903, 432362}, {"", ""}}, 
   {1424.9208, 13.932688, "Meta"} -> {{100251, 333400, 185302}, {"", ""}}, 
   {1419.9648, 13.935295, "Meta"} -> {{802891, 840299, 796630}, {"", ""}}, 
   {344.2923, 13.939112, "Meta"} -> {{5297113, 4754060, 4456380}, 
     {"1-heptadecanoyl-rac-glycerol [ C20 H40 O4, db=98.52, overall=49.26, \
KEGG ID=, CAS ID=68002-72-2 ]", "68002-72-2"}}, 
   {1468.948, 13.937098, "Meta"} -> {{122933, 394511, 385673}, {"", ""}}, 
   {1436.9904, 13.938028, "Meta"} -> {{522584, 409149, 400836}, {"", ""}}, 
   {1463.9899, 13.9394865, "Meta"} -> {{653242, 706324, 691803}, {"", ""}}, 
   {466.3654, 13.941461, "Meta"} -> {{257616, 353099, 1}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=76.50, overall=38.25, \
Lipid ID=LMST01030128, KEGG ID= ]", ""}}, {1481.017, 13.942124, "Meta"} -> 
    {{441575, 387883, 396652}, {"", ""}}, {1508.0137, 13.944414, "Meta"} -> 
    {{601562, 634830, 47571}, {"", ""}}, {222.1615, 13.993, "Meta"} -> 
    {{402373, 58323, 332224}, {"", ""}}, {1529.9991, 13.944249, "Meta"} -> 
    {{1, 1, 479128}, {"", ""}}, {283.2872, 13.950055, "Meta"} -> 
    {{294135, 273566, 298432}, {"Stearamide [ C18 H37 N O, db=99.52, \
overall=49.76, KEGG ID=, CAS ID=124-26-5 ]", "124-26-5"}}, 
   {1525.0424, 13.947517, "Meta"} -> {{382027, 326608, 322693}, {"", ""}}, 
   {386.1755, 13.956785, "Meta"} -> {{12432, 1, 1}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=50.71, overall=25.36 ]", ""}}, 
   {1623.0092, 13.9477415, "Meta"} -> {{106200, 130025, 135462}, {"", ""}}, 
   {428.2901, 13.938, "Meta"} -> {{134489, 107621, 126499}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=61.60, \
overall=30.80, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {1618.051, 13.949916, "Meta"} -> {{1, 332440, 334578}, {"", ""}}, 
   {1569.0697, 13.946124, "Meta"} -> {{316510, 256014, 284843}, {"", ""}}, 
   {467.3376, 13.954553, "Meta"} -> {{133429, 171136, 212728}, {"", ""}}, 
   {347.2825, 13.963371, "Meta"} -> {{181431, 141122, 177408}, 
     {"(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide [ C22 \
H37 N O2, db=98.13, overall=49.07, KEGG ID=, CAS ID= ]", ""}}, 
   {330.2557, 13.959749, "Meta"} -> {{271981, 200118, 268659}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=84.17, \
overall=42.09, Lipid ID=, KEGG ID= ]", ""}}, 
   {1662.0767, 13.946449, "Meta"} -> {{244495, 256602, 253098}, {"", ""}}, 
   {510.3319, 13.973654, "Meta"} -> {{67198, 1, 42415}, 
     {"11-(3-acetoxy-1-propynyl)-1alpha,25-dihydroxy-9,11-didehydrovitamin D3 \
/ 11-(3-acetoxy-1-propynyl)-1 [ C32 H46 O5, db=44.65, overall=22.33, Lipid \
ID=LMST03020511, KEGG ID= ]", ""}}, {452.3502, 13.976595, "Meta"} -> 
    {{94082, 1, 106075}, {"5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pento\
l [ C27 H48 O5, db=62.10, overall=31.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {1657.1215, 13.958542, "Meta"} -> {{213156, 155385, 149686}, {"", ""}}, 
   {1750.128, 13.9647875, "Meta"} -> {{1, 154996, 146761}, {"", ""}}, 
   {220.146, 13.986333, "Meta"} -> {{1, 1, 100830}, {"", ""}}, 
   {329.2933, 13.898458, "Meta"} -> {{328972, 73125, 107455}, {"", ""}}, 
   {460.3175, 13.9654, "Meta"} -> {{74628, 95617, 1}, 
     {"(24R)-1alpha,24,25,26-tetrahydroxyvitamin D2 / \
(24R)-1alpha,24,25,26-tetrahydroxyergocalciferol [ C28 H44 O5, db=68.24, \
overall=34.12, Lipid ID=LMST03010054, KEGG ID= ]", ""}}, 
   {1745.1743, 13.967287, "Meta"} -> {{1, 102055, 114052}, {"", ""}}, 
   {1701.1473, 13.966741, "Meta"} -> {{154104, 129292, 1}, {"", ""}}, 
   {402.2765, 13.957289, "Meta"} -> {{133098, 109561, 38043}, 
     {"1alpha-hydroxy-26,27-dinorvitamin D3 25-carboxylic acid / \
1alpha-hydroxy-26,27-dinorcholecalciferol [ C25 H38 O4, db=52.81, \
overall=26.41, Lipid ID=LMST03020025, KEGG ID= ]", ""}}, 
   {440.3505, 13.985816, "Meta"} -> {{326568, 376111, 367073}, {"", ""}}, 
   {484.3164, 13.975783, "Meta"} -> {{139595, 139011, 133228}, {"", ""}}, 
   {653.3246, 13.973182, "Meta"} -> {{48444, 42030, 46292}, {"", ""}}, 
   {334.2482, 13.893001, "Meta"} -> {{543834, 255681, 299079}, 
     {"Tetrahydrodeoxycorticosterone [ C21 H34 O3, db=65.74, overall=32.87, \
HMP ID=HMDB00879, KEGG ID= ]", ""}}, {1319.1475, 13.976606, "Meta"} -> 
    {{1, 18788, 1}, {"", ""}}, {386.3394, 13.973793, "Meta"} -> 
    {{213062, 1, 188708}, {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=89.09, \
overall=44.55, KEGG ID=, CAS ID= ]", ""}}, {831.6982, 13.975789, "Meta"} -> 
    {{18451, 1, 1}, {"", ""}}, {806.668, 13.976223, "Meta"} -> 
    {{221638, 224568, 202515}, {"", ""}}, {866.6982, 13.981547, "Meta"} -> 
    {{18807, 20218, 18774}, {"", ""}}, {354.2087, 13.977749, "Meta"} -> 
    {{373684, 372026, 358081}, {"", ""}}, {224.1773, 13.974033, "Meta"} -> 
    {{16755, 15364, 1}, {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=68.79, \
overall=34.39, Lipid ID=, KEGG ID= ]", ""}}, {270.2557, 13.976111, "Meta"} -> 
    {{456798, 457934, 483732}, {"10-methyl-hexadecanoic acid [ C17 H34 O2, \
db=99.62, overall=49.81, Lipid ID=, KEGG ID= ]", ""}}, 
   {1062.9073, 13.976445, "Meta"} -> {{37059, 39737, 33168}, {"", ""}}, 
   {597.4186, 13.975773, "Meta"} -> {{50397, 42683, 35941}, {"", ""}}, 
   {238.2292, 13.975834, "Meta"} -> {{260667, 252610, 248731}, 
     {"cis-11-Hexadecenal [ C16 H30 O, db=98.78, overall=49.39, KEGG ID=, CAS \
ID=53939-28-9 ]", "53939-28-9"}}, {256.2401, 13.976223, "Meta"} -> 
    {{476412, 1114000, 1046525}, {"2-propyl-tridecanoic acid [ C16 H32 O2, \
db=86.75, overall=43.37, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2322, 13.97861, "Meta"} -> {{182889, 188669, 186649}, {"", ""}}, 
   {386.2337, 13.980557, "Meta"} -> {{1, 1, 20698}, 
     {"1-tridecanoyl-sn-glycero-3-phosphate [ C16 H37 N O7 P, db=38.62, \
overall=19.31, KEGG ID=, CAS ID= ]", ""}}, {568.3997, 13.977068, "Meta"} -> 
    {{30239, 49132, 1}, {"1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphate \
(ammonium salt) [ C28 H59 N O8 P, db=52.38, overall=26.19, KEGG ID=, CAS ID= \
]", ""}}, {374.1813, 13.978594, "Meta"} -> {{24903, 35241, 22143}, 
     {"Glu Asn Leu [ C15 H26 N4 O7, db=57.08, overall=28.54 ]", ""}}, 
   {401.2, 13.978515, "Meta"} -> {{114582, 102848, 89106}, {"", ""}}, 
   {429.2065, 13.981425, "Meta"} -> {{45951, 47086, 42614}, {"", ""}}, 
   {444.2765, 13.977774, "Meta"} -> {{62255, 60803, 65541}, {"", ""}}, 
   {610.4531, 13.979807, "Meta"} -> {{225823, 228457, 215211}, {"", ""}}, 
   {897.0775, 13.963102, "Meta"} -> {{1, 54630, 1}, {"", ""}}, 
   {420.3661, 13.976656, "Meta"} -> {{24054, 19359, 1}, {"", ""}}, 
   {294.1873, 13.977543, "Meta"} -> {{37032, 38819, 41712}, 
     {"Sodium tetradecyl sulfate [ C14 H30 O4 S, db=82.16, overall=41.08, \
KEGG ID=, CAS ID=139-88-8 ]", "139-88-8"}}, {556.3739, 13.973735, "Meta"} -> 
    {{156151, 243594, 225914}, {"", ""}}, {540.3787, 13.981038, "Meta"} -> 
    {{107729, 126235, 1}, {"", ""}}, {500.3862, 13.978946, "Meta"} -> 
    {{153524, 137077, 133977}, {"", ""}}, {1838.1816, 13.978887, "Meta"} -> 
    {{93030, 1, 1}, {"", ""}}, {273.2666, 13.976639, "Meta"} -> 
    {{68345, 61935, 66713}, {"C16 Sphinganine [ C16 H35 N O2, db=89.23, \
overall=44.61, Lipid ID=LMSP01040001, KEGG ID= ]", ""}}, 
   {370.2578, 13.982139, "Meta"} -> {{64655, 54784, 65518}, {"", ""}}, 
   {470.3612, 13.984445, "Meta"} -> {{156283, 143481, 128541}, {"", ""}}, 
   {307.287, 13.978666, "Meta"} -> {{164435, 78451, 102335}, {"", ""}}, 
   {369.1855, 13.979225, "Meta"} -> {{1, 39219, 37552}, {"", ""}}, 
   {520.4126, 13.9819145, "Meta"} -> {{431393, 427698, 412587}, {"", ""}}, 
   {560.4047, 13.986311, "Meta"} -> {{228977, 1, 198154}, {"", ""}}, 
   {685.3513, 13.989969, "Meta"} -> {{24075, 22295, 31908}, {"", ""}}, 
   {600.436, 13.992064, "Meta"} -> {{81152, 80939, 36436}, {"", ""}}, 
   {276.2085, 13.992001, "Meta"} -> {{40186, 47499, 1}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=76.40, overall=38.20, Lipid \
ID=, KEGG ID= ]", ""}}, {294.2182, 13.990687, "Meta"} -> 
    {{40362, 45324, 37492}, {"12-oxo-9-octadecynoic acid [ C18 H30 O3, \
db=70.71, overall=35.35, Lipid ID=, KEGG ID= ]", ""}}, 
   {486.3319, 13.971826, "Meta"} -> {{221296, 33534, 238964}, {"", ""}}, 
   {1764.1438, 14.027258, "Meta"} -> {{21324, 26087, 25121}, {"", ""}}, 
   {306.2556, 13.999083, "Meta"} -> {{279896, 299383, 308537}, 
     {"ETrE(11Z, 14Z, 17Z) [ C20 H34 O2, db=67.35, overall=33.67, Lipid \
ID=LMFA01030378, KEGG ID= ]", ""}}, {507.3694, 13.993544, "Meta"} -> 
    {{1639861, 1775637, 2332281}, {"", ""}}, {323.2821, 13.996278, "Meta"} -> 
    {{117431, 125948, 130538}, {"(9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-die\
namide [ C20 H37 N O2, db=99.15, overall=49.57, KEGG ID=, CAS ID= ]", ""}}, 
   {490.3655, 14.002969, "Meta"} -> {{797209, 1225825, 1051257}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=61.55, \
overall=30.77, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {362.1752, 14.002638, "Meta"} -> {{25638, 23690, 25870}, 
     {"Met Gly Arg [ C13 H26 N6 O4 S, db=56.03, overall=28.02 ]", ""}}, 
   {360.2646, 14.006222, "Meta"} -> {{42618, 50973, 54485}, 
     {"1alpha,23-dihydroxy-24,25,26,27-tetranorvitamin D3 / \
1alpha,23-dihydroxy-24,25,26,27-tetranorcholeca [ C23 H36 O3, db=49.92, \
overall=24.96, Lipid ID=LMST03020020, KEGG ID= ]", ""}}, 
   {627.5055, 14.012999, "Meta"} -> {{1, 22321, 22597}, {"", ""}}, 
   {388.2586, 14.0047655, "Meta"} -> {{20732, 21368, 23769}, 
     {"7,12-Dioxo-5beta-cholan-24-oic Acid [ C24 H36 O4, db=55.81, \
overall=27.91, Lipid ID=, KEGG ID= ]", ""}}, {472.3551, 13.985233, "Meta"} -> 
    {{124340, 79887, 219147}, {"26,27-diethyl-1alpha,25-dihydroxy-20,21-dideh\
ydro-23-oxavitamin D3 / 26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, \
db=61.77, overall=30.89, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {420.3237, 13.996353, "Meta"} -> {{156089, 94157, 196948}, 
     {"1alpha,2alpha,25-trihydroxy-19-norvitamin D3 / \
1alpha,2alpha,25-trihydroxy-19-norcholecalciferolchol [ C26 H44 O4, db=77.07, \
overall=38.53, Lipid ID=LMST03020547, KEGG ID= ]", ""}}, 
   {512.3477, 14.046452, "Meta"} -> {{117167, 1, 116753}, 
     {"ZK 159222 [ C32 H48 O5, db=50.94, overall=25.47, Lipid \
ID=LMST03020621, KEGG ID= ]", ""}}, {545.3171, 14.010888, "Meta"} -> 
    {{30480, 35511, 33643}, {"", ""}}, {469.2862, 14.021042, "Meta"} -> 
    {{1, 1, 25022}, {"", ""}}, {259.2508, 14.031133, "Meta"} -> 
    {{35899, 34479, 38476}, {"", ""}}, {242.2245, 14.033613, "Meta"} -> 
    {{584124, 372331, 650303}, {"Isopentadecylic acid [ C15 H30 O2, db=99.40, \
overall=49.70, KEGG ID=, CAS ID= ]", ""}}, {295.2873, 14.061223, "Meta"} -> 
    {{62673, 69133, 1}, {"", ""}}, {408.1761, 14.037353, "Meta"} -> 
    {{9862424, 315307, 613656}, 
     {"Trp Gly Phe [ C22 H24 N4 O4, db=41.37, overall=20.69 ]", ""}}, 
   {298.2508, 14.035623, "Meta"} -> {{45375, 35237, 40085}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=71.18, overall=35.59, \
Lipid ID=, KEGG ID= ]", ""}}, {454.3265, 13.978308, "Meta"} -> 
    {{375540, 317005, 337125}, {"GPCho(O-7:0/O-7:0) [ C22 H49 N O6 P, \
db=80.05, overall=40.03, Lipid ID=LMGP01040080, KEGG ID= ]", ""}}, 
   {449.3718, 14.041364, "Meta"} -> {{1102043, 1167072, 1142728}, {"", ""}}, 
   {171.108, 14.037002, "Meta"} -> {{938456, 1, 133564}, {"", ""}}, 
   {353.3292, 14.065957, "Meta"} -> {{65768, 19416, 27948}, 
     {"(Z)-N-(2-hydroxyethyl)icos-11-enamide [ C22 H43 N O2, db=53.55, \
overall=26.77, KEGG ID=, CAS ID= ]", ""}}, {358.3083, 14.061032, "Meta"} -> 
    {{2806163, 6765447, 8028910}, {"1-octadecanoyl-rac-glycerol [ C21 H42 O4, \
db=91.49, overall=45.75, KEGG ID=, CAS ID= ]", ""}}, 
   {534.3899, 14.062283, "Meta"} -> {{276289, 780689, 892110}, {"", ""}}, 
   {1218.8057, 14.057057, "Meta"} -> {{502031, 963626, 484755}, {"", ""}}, 
   {642.91, 14.060259, "Meta"} -> {{129802, 138615, 137932}, {"", ""}}, 
   {1186.8503, 14.059189, "Meta"} -> {{497271, 533891, 473164}, {"", ""}}, 
   {1103.753, 14.057482, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1169.8226, 14.057669, "Meta"} -> {{1260758, 1349747, 1319316}, {"", ""}}, 
   {1262.8317, 14.057412, "Meta"} -> {{439339, 464863, 403447}, 
     {"Ganglioside GM3 (d18:1/24:1(15Z)) [ C65 H118 N2 O21, db=64.86, \
overall=32.43, HMP ID=HMDB04848, KEGG ID= ]", ""}}, 
   {1152.795, 14.05788, "Meta"} -> {{94052, 53779, 46226}, {"", ""}}, 
   {1064.743, 14.0559025, "Meta"} -> {{285868, 566933, 560692}, {"", ""}}, 
   {1213.8492, 14.058307, "Meta"} -> {{1411006, 724922, 1497826}, {"", ""}}, 
   {1020.7168, 14.055375, "Meta"} -> {{45057, 511646, 48751}, {"", ""}}, 
   {507.8499, 14.0589695, "Meta"} -> {{52530, 57566, 56205}, {"", ""}}, 
   {1125.7968, 14.0580015, "Meta"} -> {{1187479, 731426, 1204934}, {"", ""}}, 
   {1108.7697, 14.056641, "Meta"} -> {{43253, 55293, 42756}, {"", ""}}, 
   {485.8368, 14.06136, "Meta"} -> {{22700, 23589, 24321}, {"", ""}}, 
   {1230.8765, 14.069205, "Meta"} -> {{534308, 515362, 507201}, {"", ""}}, 
   {1306.8593, 14.060386, "Meta"} -> {{1, 844853, 1}, {"", ""}}, 
   {1318.9282, 14.062551, "Meta"} -> {{633614, 1, 678837}, {"", ""}}, 
   {1257.8752, 14.0591755, "Meta"} -> {{1412766, 1482661, 1494787}, 
     {"", ""}}, {1037.7437, 14.060363, "Meta"} -> {{479298, 498639, 524973}, 
     {"", ""}}, {1054.7722, 14.059851, "Meta"} -> 
    {{131347, 1, 119655}, {"", ""}}, {1350.8864, 14.060532, "Meta"} -> 
    {{314147, 358106, 224747}, {"", ""}}, {1362.9545, 14.064612, "Meta"} -> 
    {{666902, 692476, 681411}, {"", ""}}, {1389.9536, 14.06309, "Meta"} -> 
    {{152177, 1, 1234619}, {"", ""}}, {1142.8239, 14.061389, "Meta"} -> 
    {{350921, 334411, 357874}, {"", ""}}, {976.6912, 14.068707, "Meta"} -> 
    {{417073, 442569, 435726}, {"", ""}}, {422.375, 14.068999, "Meta"} -> 
    {{21577, 25519, 26371}, {"", ""}}, {993.7174, 14.063914, "Meta"} -> 
    {{408574, 439314, 425247}, {"", ""}}, {1438.9374, 14.065999, "Meta"} -> 
    {{540228, 206749, 549396}, {"", ""}}, {1433.9799, 14.066055, "Meta"} -> 
    {{254614, 1077412, 1051129}, {"", ""}}, {949.6916, 14.066196, "Meta"} -> 
    {{289196, 309296, 304182}, {"", ""}}, {1451.0062, 14.068264, "Meta"} -> 
    {{614424, 632535, 650250}, {"", ""}}, {932.6646, 14.065879, "Meta"} -> 
    {{294575, 318756, 297193}, {"", ""}}, {470.2924, 14.073814, "Meta"} -> 
    {{10966, 1, 1}, {"", ""}}, {905.6649, 14.069608, "Meta"} -> 
    {{222874, 245845, 1}, {"", ""}}, {1522.0323, 14.071529, "Meta"} -> 
    {{138830, 793843, 799785}, {"", ""}}, {888.6409, 14.076768, "Meta"} -> 
    {{200631, 1, 193388}, {"", ""}}, {1482.9642, 14.067459, "Meta"} -> 
    {{466218, 147510, 491254}, {"", ""}}, {1174.7784, 14.05864, "Meta"} -> 
    {{560830, 628292, 579362}, {"", ""}}, {1526.9904, 14.071257, "Meta"} -> 
    {{390288, 104257, 390564}, {"", ""}}, {1495.0323, 14.071646, "Meta"} -> 
    {{533031, 606374, 568229}, {"", ""}}, {861.6387, 14.075389, "Meta"} -> 
    {{158982, 126539, 92773}, {"", ""}}, {405.3454, 14.078472, "Meta"} -> 
    {{628872, 535053, 775362}, {"", ""}}, {316.2402, 14.079582, "Meta"} -> 
    {{2078144, 1940613, 2432659}, {"pregnenolone [ C21 H32 O2, db=98.88, \
overall=49.44, KEGG ID=, CAS ID=1852-38-6 ]", "1852-38-6"}}, 
   {376.2724, 14.080198, "Meta"} -> {{521224, 431966, 626586}, {"", ""}}, 
   {284.2138, 14.07936, "Meta"} -> {{37859, 39404, 48833}, 
     {"11-cis-Retinaldehyde [ C20 H28 O, db=83.12, overall=41.56, HMP \
ID=HMDB02152, KEGG ID= ]", ""}}, {333.2666, 14.079747, "Meta"} -> 
    {{1747963, 1635667, 2096937}, {"", ""}}, {805.0406, 14.07626, "Meta"} -> 
    {{33662, 52242, 47306}, {"", ""}}, {529.4339, 14.081344, "Meta"} -> 
    {{38818, 51902, 52839}, {"", ""}}, {1632.0676, 14.078387, "Meta"} -> 
    {{429176, 467849, 472093}, {"", ""}}, {1583.085, 14.078301, "Meta"} -> 
    {{440516, 446789, 475184}, {"", ""}}, {1627.1108, 14.078733, "Meta"} -> 
    {{259794, 349537, 346667}, {"", ""}}, {1676.0933, 14.06074, "Meta"} -> 
    {{343834, 398991, 360436}, {"", ""}}, {1715.1598, 14.067248, "Meta"} -> 
    {{257283, 273750, 1}, {"", ""}}, {948.6653, 14.082221, "Meta"} -> 
    {{37926, 145948, 158185}, {"", ""}}, {264.2448, 14.087555, "Meta"} -> 
    {{53996, 59353, 58336}, {"9,12-octadecadienal [ C18 H32 O, db=69.08, \
overall=34.54, Lipid ID=, KEGG ID= ]", ""}}, 
   {1813.1312, 14.077153, "Meta"} -> {{1, 1, 88574}, {"", ""}}, 
   {546.5012, 14.088577, "Meta"} -> {{10847, 1, 11807}, {"", ""}}, 
   {367.1936, 14.089778, "Meta"} -> {{30757, 21274, 20103}, 
     {"N-Desethylquinagolide [ C18 H29 N3 O3 S, db=63.48, overall=31.74, KEGG \
ID=, CAS ID= ]", ""}}, {602.4589, 14.089057, "Meta"} -> 
    {{284874, 243651, 267359}, {"", ""}}, {1808.1718, 14.068594, "Meta"} -> 
    {{161672, 1, 23968}, {"", ""}}, {884.7153, 14.088696, "Meta"} -> 
    {{64380, 68066, 64964}, {"", ""}}, {380.2247, 14.088887, "Meta"} -> 
    {{321646, 317812, 322414}, {"", ""}}, {282.2564, 14.088139, "Meta"} -> 
    {{958374, 1318984, 1606616}, {"5-octadecylenic acid [ C18 H34 O2, \
db=98.70, overall=49.35, Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, 
   {486.3322, 14.0887165, "Meta"} -> {{477017, 543750, 515200}, {"", ""}}, 
   {868.7374, 14.088824, "Meta"} -> {{1, 10613, 1}, {"", ""}}, 
   {299.2823, 14.088805, "Meta"} -> {{191226, 191806, 190271}, 
     {"3-Dehydrosphinganine [ C18 H37 N O2, db=99.55, overall=49.78, KEGG \
ID=C02934, CAS ID=16105-69-4 ]", "16105-69-4"}}, 
   {338.1754, 14.0895, "Meta"} -> {{49919, 47290, 44164}, 
     {"2,3-Dinor-6,15-diketo-13,14-dihydro-PGF1a [ C18 H26 O6, db=42.53, \
overall=21.26, KEGG ID=, CAS ID= ]", ""}}, {586.4805, 14.089943, "Meta"} -> 
    {{23440, 23882, 46936}, {"3',4'-Dihydrorhodovibrin [ C41 H62 O2, \
db=20.76, overall=10.38, Lipid ID=LMPR01070139, KEGG ID= ]", ""}}, 
   {440.2498, 14.08963, "Meta"} -> {{43862, 45563, 51100}, {"", ""}}, 
   {404.1936, 14.090585, "Meta"} -> {{20255, 1, 1}, 
     {"Lys Glu Glu [ C16 H28 N4 O8, db=45.07, overall=22.53 ]", ""}}, 
   {398.202, 14.090389, "Meta"} -> {{66892, 66237, 61484}, 
     {"His Arg Ser [ C15 H26 N8 O5, db=43.07, overall=21.53 ]", ""}}, 
   {395.1929, 14.089863, "Meta"} -> {{89982, 80256, 73692}, {"", ""}}, 
   {1720.1184, 14.061962, "Meta"} -> {{349538, 287923, 1}, {"", ""}}, 
   {434.3862, 14.09189, "Meta"} -> {{96082, 91634, 63457}, {"", ""}}, 
   {320.2035, 14.088819, "Meta"} -> {{45091, 44819, 43974}, {"", ""}}, 
   {357.2667, 14.066502, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1803.2148, 14.080516, "Meta"} -> {{136648, 149405, 142030}, {"", ""}}, 
   {1847.2441, 14.088383, "Meta"} -> {{108644, 115224, 122143}, {"", ""}}, 
   {1852.1967, 14.0926, "Meta"} -> {{146149, 121510, 159169}, {"", ""}}, 
   {1896.2227, 14.094833, "Meta"} -> {{76482, 1, 71034}, {"", ""}}, 
   {662.4873, 14.106453, "Meta"} -> {{81483, 87265, 81257}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaeno\
yl)-sn-glycerol [ C43 H66 O5, db=68.73, overall=34.37, KEGG ID=, CAS ID= ]", 
      ""}}, {498.3687, 14.089807, "Meta"} -> {{25606, 52922, 74455}, 
     {"(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a,24\
b,24c-trihomo-20-epivitamin D3 [ C32 H50 O4, db=49.58, overall=24.79, Lipid \
ID=LMST03020516, KEGG ID= ]", ""}}, {509.3843, 14.0923605, "Meta"} -> 
    {{3427739, 3113950, 4335327}, {"", ""}}, {466.3657, 14.105546, "Meta"} -> 
    {{433262, 587614, 1}, {"6alpha-Hydroxycastasterone [ C28 H50 O5, \
db=82.12, overall=41.06, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {292.2399, 14.107418, "Meta"} -> {{629221, 327553, 384620}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=85.29, overall=42.65, \
HMP ID=HMDB00412, KEGG ID= ]", ""}}, {580.4317, 14.10757, "Meta"} -> 
    {{63973, 94718, 71420}, {"GPCho(O-18:0/4:0) [ C30 H63 N O7 P, db=63.24, \
overall=31.62, Lipid ID=LMGP01020116, KEGG ID= ]", ""}}, 
   {352.2723, 14.1108885, "Meta"} -> {{96362, 99728, 122196}, {"", ""}}, 
   {309.2668, 14.111446, "Meta"} -> {{357728, 340375, 399921}, 
     {"Dicyclomine [ C19 H35 N O2, db=99.35, overall=49.67, KEGG ID=C06951, \
CAS ID=77-19-0 ]", "77-19-0"}}, {222.1617, 14.1038265, "Meta"} -> 
    {{196240, 1, 161184}, {"", ""}}, {960.7672, 14.101361, "Meta"} -> 
    {{131837, 132713, 124222}, {"", ""}}, {499.2963, 14.121678, "Meta"} -> 
    {{78456, 82366, 76946}, {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, \
db=89.57, overall=44.79, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {484.378, 14.105919, "Meta"} -> {{29746, 1, 1}, {"", ""}}, 
   {420.3042, 14.12719, "Meta"} -> {{51370, 163873, 45452}, 
     {"3D,7D,11D-Phytanic acid [ C29 H40 O2, db=55.51, overall=27.76, HMP \
ID=HMDB00417, KEGG ID= ]", ""}}, {696.4838, 14.114749, "Meta"} -> 
    {{189821, 171470, 179952}, {"", ""}}, {514.423, 14.141911, "Meta"} -> 
    {{67877, 77755, 280748}, {"", ""}}, {678.511, 14.121193, "Meta"} -> 
    {{252479, 245819, 241094}, {"GPCho(14:0/14:0[U]) [ C36 H73 N O8 P, \
db=73.61, overall=36.81, Lipid ID=LMGP01010478, KEGG ID= ]", ""}}, 
   {895.5533, 14.136167, "Meta"} -> {{69918, 59445, 48633}, {"", ""}}, 
   {422.34, 14.145611, "Meta"} -> {{229988, 112468, 308901}, {"", ""}}, 
   {340.298, 14.148811, "Meta"} -> {{2173934, 2204982, 2131375}, 
     {"20-oxo-heneicosanoic acid [ C21 H40 O3, db=96.35, overall=48.18, Lipid \
ID=, KEGG ID= ]", ""}}, {352.334, 14.145808, "Meta"} -> 
    {{1, 45970, 44808}, {"14Z-tricosenoic acid [ C23 H44 O2, db=81.01, \
overall=40.50, Lipid ID=, KEGG ID= ]", ""}}, 
   {1036.8195, 14.135778, "Meta"} -> {{259101, 294870, 249878}, {"", ""}}, 
   {741.6305, 14.144343, "Meta"} -> {{2270176, 2223811, 2199935}, {"", ""}}, 
   {384.3049, 14.142907, "Meta"} -> {{64172, 69608, 72244}, {"", ""}}, 
   {403.3659, 14.148665, "Meta"} -> {{528013, 465697, 440713}, {"", ""}}, 
   {772.5821, 14.131801, "Meta"} -> {{73067, 80277, 71903}, 
     {"GPCho(16:0/19:2(9Z,12Z)[U]) [ C43 H83 N O8 P, db=73.13, overall=36.57, \
Lipid ID=LMGP01010610, KEGG ID= ]", ""}}, {764.5958, 14.144802, "Meta"} -> 
    {{206152, 1, 193363}, {"", ""}}, {1054.792, 14.132248, "Meta"} -> 
    {{1, 84453, 96177}, {"", ""}}, {266.2608, 14.148749, "Meta"} -> 
    {{610127, 629702, 588533}, {"3E,13Z-octadecadien-1-ol [ C18 H34 O, \
db=97.90, overall=48.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {375.3339, 14.148222, "Meta"} -> {{1.22*^7, 1.28*^7, 1.18*^7}, {"", ""}}, 
   {358.3078, 14.148471, "Meta"} -> {{7.88*^7, 7.48*^7, 7.08*^7}, 
     {"1-octadecanoyl-rac-glycerol [ C21 H42 O4, db=98.40, overall=49.20, \
KEGG ID=, CAS ID= ]", ""}}, {418.3406, 14.1476965, "Meta"} -> 
    {{3871727, 3900905, 3842385}, {"1alpha,25-dihydroxy-2alpha-methyl-19-norv\
itamin D3 / 1alpha,25-dihydroxy-2alpha-methyl-19-norcholeca [ C27 H46 O3, \
db=67.02, overall=33.51, Lipid ID=LMST03020553, KEGG ID= ]", ""}}, 
   {639.5801, 14.147194, "Meta"} -> {{107735, 99931, 94285}, {"", ""}}, 
   {1200.9023, 14.160806, "Meta"} -> {{97492, 96701, 92098}, {"", ""}}, 
   {1112.877, 14.148324, "Meta"} -> {{1881033, 1737364, 1633485}, {"", ""}}, 
   {814.5844, 14.151257, "Meta"} -> {{574716, 583890, 472510}, {"", ""}}, 
   {769.529, 14.1481085, "Meta"} -> {{521976, 437095, 357687}, {"", ""}}, 
   {1471.1823, 14.148783, "Meta"} -> {{1809039, 1498956, 1549802}, {"", ""}}, 
   {343.3194, 14.142917, "Meta"} -> {{144372, 92789, 146011}, {"", ""}}, 
   {527.2676, 14.149583, "Meta"} -> {{241455, 219293, 197253}, {"", ""}}, 
   {456.2764, 14.150944, "Meta"} -> {{1239769, 1156645, 1091988}, {"", ""}}, 
   {480.2429, 14.151414, "Meta"} -> {{125191, 10620, 67916}, {"", ""}}, 
   {389.3503, 14.147706, "Meta"} -> {{196335, 180536, 186815}, {"", ""}}, 
   {424.2965, 14.153561, "Meta"} -> {{1, 1, 79762}, 
     {"(22E,24E,26E)-1alpha,26b-dihydroxy-22,23,24,25,26,26a-hexadehydro-26a,\
26b-dihomo-27-norvitamin D3 / [ C28 H40 O3, db=44.45, overall=22.22, Lipid \
ID=LMST03020312, KEGG ID= ]", ""}}, {454.3656, 14.155731, "Meta"} -> 
    {{41352, 119638, 1}, {"", ""}}, {564.5589, 14.166798, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {426.327, 14.133777, "Meta"} -> 
    {{53936, 29300, 1}, {"", ""}}, {846.402, 14.16888, "Meta"} -> 
    {{298375, 135836, 170170}, {"", ""}}, {934.6778, 14.200471, "Meta"} -> 
    {{62857, 120227, 72390}, {"", ""}}, {466.1108, 14.175235, "Meta"} -> 
    {{563576, 284917, 346793}, {"", ""}}, {285.267, 14.18239, "Meta"} -> 
    {{142454, 124422, 172062}, {"C17 Sphingosine [ C17 H35 N O2, db=93.80, \
overall=46.90, Lipid ID=LMSP01040002, KEGG ID= ]", ""}}, 
   {436.3163, 14.176588, "Meta"} -> {{753932, 644898, 908239}, 
     {"4,4-difluoro-1alpha-hydroxyvitamin D3 / \
4,4-difluoro-1alpha-hydroxycholecalciferol [ C27 H42 F2 O2, db=84.08, \
overall=42.04, Lipid ID=LMST03020138, KEGG ID= ]", ""}}, 
   {268.24, 14.176917, "Meta"} -> {{796121, 593011, 904960}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=92.99, overall=46.49, Lipid \
ID=LMFA01030060, KEGG ID= ]", ""}}, {446.3394, 14.189685, "Meta"} -> 
    {{317741, 387728, 325620}, {"1alpha,25-dihydroxy-11beta-methoxyvitamin D3 \
/ 1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, db=80.19, \
overall=40.09, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {398.3198, 14.172886, "Meta"} -> {{1, 1, 64930}, 
     {"(22Z)-1beta-hydroxy-22,23-didehydrovitamin D_3 / \
(22Z)-1beta-hydroxy-22,23-didehydrocholecalciferol [ C27 H42 O2, db=77.14, \
overall=38.57, Lipid ID=LMST03020151, KEGG ID= ]", ""}}, 
   {434.2678, 14.188435, "Meta"} -> {{52655, 90235, 95340}, 
     {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, db=84.90, overall=42.45, \
KEGG ID=, CAS ID=114883-29-3 ]", "114883-29-3"}}, 
   {1364.8975, 14.194389, "Meta"} -> {{1, 565642, 562354}, 
     {"Ganglioside GA1 (d18:1/26:1(17Z)) [ C70 H128 N2 O23, db=75.48, \
overall=37.74, HMP ID=HMDB04907, KEGG ID= ]", ""}}, 
   {1447.9952, 14.192001, "Meta"} -> {{950943, 255519, 245003}, {"", ""}}, 
   {1492.0217, 14.194573, "Meta"} -> {{1, 959781, 894257}, {"", ""}}, 
   {412.2971, 14.195, "Meta"} -> {{95237, 124829, 98470}, 
     {"Calcipotriene [ C27 H40 O3, db=80.60, overall=40.30, KEGG ID=, CAS \
ID=112965-21-6 ]", "112965-21-6"}}, {1496.9803, 14.19325, "Meta"} -> 
    {{93176, 92453, 406499}, {"", ""}}, {1420.9965, 14.197917, "Meta"} -> 
    {{487490, 643753, 586447}, {"", ""}}, {1624.1003, 14.197062, "Meta"} -> 
    {{544198, 568326, 71692}, {"", ""}}, {1817.2332, 14.199793, "Meta"} -> 
    {{158081, 196591, 180646}, {"", ""}}, {1597.101, 14.198148, "Meta"} -> 
    {{389988, 493932, 432036}, {"", ""}}, {1408.9271, 14.194473, "Meta"} -> 
    {{552162, 219925, 156385}, {"", ""}}, {1861.258, 14.196594, "Meta"} -> 
    {{136218, 1, 169322}, {"", ""}}, {1403.9694, 14.194972, "Meta"} -> 
    {{301824, 320666, 1048233}, {"", ""}}, {1452.9532, 14.194514, "Meta"} -> 
    {{489241, 462009, 469546}, {"", ""}}, {1509.0479, 14.196716, "Meta"} -> 
    {{461421, 586355, 553751}, {"", ""}}, {1465.0219, 14.194402, "Meta"} -> 
    {{487441, 634267, 566632}, {"", ""}}, {1553.0742, 14.197194, "Meta"} -> 
    {{403459, 525981, 461927}, {"", ""}}, {1562.9896, 14.198364, "Meta"} -> 
    {{270359, 245828, 277989}, {"", ""}}, {1536.0472, 14.194414, "Meta"} -> 
    {{164002, 815465, 730771}, {"", ""}}, {1376.9705, 14.195032, "Meta"} -> 
    {{509308, 534701, 605522}, {"", ""}}, {1602.0566, 14.198463, "Meta"} -> 
    {{538485, 544239, 565762}, {"", ""}}, {1729.1761, 14.185585, "Meta"} -> 
    {{1, 297460, 28063}, {"", ""}}, {1695.0688, 14.195794, "Meta"} -> 
    {{186325, 184428, 197083}, {"", ""}}, {1734.1353, 14.190585, "Meta"} -> 
    {{347498, 347545, 1}, {"", ""}}, {1783.1184, 14.192629, "Meta"} -> 
    {{138731, 120308, 117642}, {"", ""}}, {649.9173, 14.20141, "Meta"} -> 
    {{96479, 89856, 89874}, {"", ""}}, {484.2849, 14.207409, "Meta"} -> 
    {{38502, 30608, 1}, {"GPGro(16:0/0:0)[U] [ C22 H45 O9 P, db=38.98, \
overall=19.49, Lipid ID=LMGP04050002, KEGG ID= ]", ""}}, 
   {1690.1084, 14.19928, "Meta"} -> {{1, 405118, 400943}, {"", ""}}, 
   {1739.0945, 14.198658, "Meta"} -> {{173545, 171745, 162801}, {"", ""}}, 
   {1651.0406, 14.192531, "Meta"} -> {{221286, 225304, 206408}, {"", ""}}, 
   {1641.1263, 14.192625, "Meta"} -> {{376201, 432198, 401728}, {"", ""}}, 
   {1271.8907, 14.198788, "Meta"} -> {{1089489, 1059649, 451003}, {"", ""}}, 
   {1773.2079, 14.200658, "Meta"} -> {{205241, 245019, 219067}, {"", ""}}, 
   {1822.1873, 14.202721, "Meta"} -> {{217727, 211514, 222622}, {"", ""}}, 
   {613.9317, 14.198634, "Meta"} -> {{746680, 812072, 752012}, {"", ""}}, 
   {1866.2135, 14.191801, "Meta"} -> {{179571, 1, 1}, {"", ""}}, 
   {649.4179, 14.206075, "Meta"} -> {{165291, 130071, 1}, {"", ""}}, 
   {1276.8481, 14.198558, "Meta"} -> {{331896, 302192, 307378}, {"", ""}}, 
   {1288.9185, 14.196689, "Meta"} -> {{448752, 563143, 475303}, {"", ""}}, 
   {1871.1737, 14.199768, "Meta"} -> {{87202, 86012, 1}, {"", ""}}, 
   {1232.82, 14.198863, "Meta"} -> {{322384, 306934, 319004}, {"", ""}}, 
   {1827.1462, 14.200866, "Meta"} -> {{101936, 92906, 1}, {"", ""}}, 
   {1778.1611, 14.200578, "Meta"} -> {{1, 285309, 279775}, {"", ""}}, 
   {1244.8917, 14.2033415, "Meta"} -> {{337623, 433177, 403298}, {"", ""}}, 
   {583.7208, 14.204438, "Meta"} -> {{33234, 34739, 33264}, {"", ""}}, 
   {1249.8477, 14.203148, "Meta"} -> {{481215, 504264, 526258}, {"", ""}}, 
   {1200.8668, 14.204945, "Meta"} -> {{271645, 375564, 333413}, {"", ""}}, 
   {365.3013, 14.216527, "Meta"} -> {{59753, 63218, 54747}, {"", ""}}, 
   {1188.7935, 14.202201, "Meta"} -> {{325545, 313260, 322728}, {"", ""}}, 
   {605.8921, 14.206543, "Meta"} -> {{64441, 62926, 53942}, {"", ""}}, 
   {1183.8381, 14.204194, "Meta"} -> {{795393, 449190, 889640}, {"", ""}}, 
   {1144.769, 14.20787, "Meta"} -> {{286790, 269813, 267224}, {"", ""}}, 
   {424.3908, 14.209613, "Meta"} -> {{44910, 40913, 44405}, {"", ""}}, 
   {554.3656, 14.166631, "Meta"} -> {{35434, 93202, 83997}, {"", ""}}, 
   {1156.8387, 14.209628, "Meta"} -> {{197132, 240095, 193171}, {"", ""}}, 
   {1139.8115, 14.206183, "Meta"} -> {{348839, 668142, 402154}, {"", ""}}, 
   {406.3804, 14.209417, "Meta"} -> {{36220, 39481, 39660}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=79.02, \
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    {{181349, 227637, 218538}, {"", ""}}, {488.3482, 14.211999, "Meta"} -> 
    {{194314, 205505, 243220}, {"", ""}}, {1100.7411, 14.209909, "Meta"} -> 
    {{230424, 221443, 220216}, {"", ""}}, {514.4233, 14.214094, "Meta"} -> 
    {{41767, 47340, 288135}, {"", ""}}, {1116.779, 14.224416, "Meta"} -> 
    {{1, 1, 552779}, {"", ""}}, {328.3451, 14.2168, "Meta"} -> 
    {{258338, 257942, 219627}, {"", ""}}, {283.2869, 14.21733, "Meta"} -> 
    {{8287630, 7420990, 5945205}, {"Stearamide [ C18 H37 N O, db=96.78, \
overall=48.39, KEGG ID=, CAS ID=124-26-5 ]", "124-26-5"}}, 
   {431.3039, 14.195275, "Meta"} -> {{105069, 1, 134270}, {"", ""}}, 
   {1051.7598, 14.215641, "Meta"} -> {{188491, 213082, 226979}, {"", ""}}, 
   {1095.7856, 14.213828, "Meta"} -> {{320173, 396328, 390311}, {"", ""}}, 
   {1012.6886, 14.219436, "Meta"} -> {{113679, 84042, 107300}, {"", ""}}, 
   {1022.7088, 14.223097, "Meta"} -> {{43594, 1, 36260}, {"", ""}}, 
   {422.3747, 14.206687, "Meta"} -> {{49229, 45020, 62572}, {"", ""}}, 
   {1007.7326, 14.221612, "Meta"} -> {{140340, 180516, 166119}, {"", ""}}, 
   {518.3967, 14.2736025, "Meta"} -> {{1, 168289, 164401}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=61.50, \
overall=30.75, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {1885.1884, 14.293885, "Meta"} -> {{114922, 91645, 1}, {"", ""}}, 
   {325.2996, 14.210102, "Meta"} -> {{1, 1, 19810}, 
     {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, db=43.24, overall=21.62, \
KEGG ID=, CAS ID= ]", ""}}, {612.4955, 14.216895, "Meta"} -> 
    {{27160, 33136, 152891}, {"", ""}}, {624.5072, 14.226657, "Meta"} -> 
    {{60970, 270759, 195402}, {"", ""}}, {538.3636, 14.237194, "Meta"} -> 
    {{492144, 185376, 152677}, {"", ""}}, {308.2716, 14.231286, "Meta"} -> 
    {{1, 1, 1}, {"5,11-Eicosadienoic acid [ C20 H36 O2, db=81.25, \
overall=40.62, Lipid ID=, KEGG ID= ]", ""}}, {278.2241, 14.218176, "Meta"} -> 
    {{100002, 132649, 89694}, {"beta-eleostearic acid [ C18 H30 O2, db=83.37, \
overall=41.68, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {963.7065, 14.228668, "Meta"} -> {{79592, 87311, 85389}, {"", ""}}, 
   {369.3356, 14.230916, "Meta"} -> {{493405, 278101, 322842}, {"", ""}}, 
   {309.3033, 14.23247, "Meta"} -> {{1769602, 1107647, 1139570}, {"", ""}}, 
   {538.4231, 14.239277, "Meta"} -> {{3608470, 4198870, 894605}, 
     {"GPCho(O-16:0/O-4:0[U]) [ C28 H61 N O6 P, db=76.53, overall=38.26, \
Lipid ID=LMGP01040044, KEGG ID= ]", ""}}, {520.413, 14.242222, "Meta"} -> 
    {{1384111, 1650005, 1535598}, {"", ""}}, {647.3629, 14.24356, "Meta"} -> 
    {{34435, 36956, 26775}, {"", ""}}, {591.3425, 14.248113, "Meta"} -> 
    {{32038, 1, 1}, {"", ""}}, {636.3988, 14.250115, "Meta"} -> 
    {{52308, 1, 48937}, {"", ""}}, {1098.8239, 14.252852, "Meta"} -> 
    {{1, 1, 131799}, {"", ""}}, {594.3456, 14.25331, "Meta"} -> 
    {{53778, 1, 41244}, {"L-Urobilin [ C33 H46 N4 O6, db=35.51, \
overall=17.75, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {256.24, 14.260359, "Meta"} -> {{101479, 78660, 91803}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=78.64, overall=39.32, Lipid \
ID=, KEGG ID= ]", ""}}, {387.3139, 14.260241, "Meta"} -> 
    {{85447, 84751, 87786}, {"", ""}}, {373.2977, 14.262173, "Meta"} -> 
    {{85124, 105155, 108699}, {"Arachidonoylmorpholine [ C24 H39 N O2, \
db=92.07, overall=46.03, Lipid ID=LMFA08020052, KEGG ID= ]", ""}}, 
   {227.1883, 14.25888, "Meta"} -> {{50358, 1, 40920}, {"", ""}}, 
   {310.2297, 14.267167, "Meta"} -> {{115517, 114904, 126379}, 
     {"Desogestrel [ C22 H30 O, db=87.12, overall=43.56, KEGG ID=, CAS \
ID=54024-22-5 ]", "54024-22-5"}}, {402.2882, 14.268779, "Meta"} -> 
    {{1541484, 1255930, 1570004}, {"", ""}}, {359.2815, 14.267722, "Meta"} -> 
    {{1.03*^7, 1.14*^7, 1.25*^7}, {"", ""}}, {272.1768, 14.267366, "Meta"} -> 
    {{24541, 25673, 32125}, {"5,8,11-octadecatriynoic acid [ C18 H24 O2, \
db=55.08, overall=27.54, Lipid ID=, KEGG ID= ]", ""}}, 
   {390.3498, 14.261562, "Meta"} -> {{42517, 1, 21612}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=62.19, overall=31.10, \
Lipid ID=, KEGG ID= ]", ""}}, {440.2236, 14.264084, "Meta"} -> 
    {{41593, 44430, 39340}, {"", ""}}, {458.1971, 14.265822, "Meta"} -> 
    {{26641, 18702, 16938}, {"", ""}}, {722.4598, 14.266535, "Meta"} -> 
    {{26623, 1, 18532}, {"", ""}}, {698.4571, 14.2792225, "Meta"} -> 
    {{37964, 28611, 26050}, {"", ""}}, {1016.7246, 14.284067, "Meta"} -> 
    {{60224, 44868, 50672}, {"", ""}}, {234.1617, 14.2904, "Meta"} -> 
    {{45458, 47956, 58619}, {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9\
,11-didehydrovitamin D3 / 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=69.61, \
overall=34.81, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {416.2236, 14.286627, "Meta"} -> {{58487, 54100, 56331}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=73.66, \
overall=36.83, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {134.1094, 14.287377, "Meta"} -> {{159813, 191921, 233449}, 
     {"p-Cymene [ C10 H14, db=86.48, overall=43.24, Lipid ID=LMPR01020045, \
KEGG ID=C06575 ]", ""}}, {349.2979, 14.288562, "Meta"} -> 
    {{77041, 68190, 78957}, {"Anandamide (20:3, n-3) [ C22 H39 N O2, \
db=74.63, overall=37.32, Lipid ID=LMFA08040005, KEGG ID= ]", ""}}, 
   {378.288, 14.29039, "Meta"} -> {{850464, 665603, 876265}, {"", ""}}, 
   {1116.8062, 14.30288, "Meta"} -> {{154350, 115078, 150255}, {"", ""}}, 
   {286.2294, 14.290941, "Meta"} -> {{364726, 355166, 412846}, 
     {"11-cis-Retinol [ C20 H30 O, db=99.50, overall=49.75, Lipid \
ID=LMPR01090005, KEGG ID=C00899 ]", ""}}, {318.255, 14.292167, "Meta"} -> 
    {{4404428, 4106752, 1.26*^7}, {"Allopregnanolone [ C21 H34 O2, db=64.02, \
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   {1310.9695, 14.290519, "Meta"} -> {{12362, 1, 23958}, {"", ""}}, 
   {434.1969, 14.290781, "Meta"} -> {{16321, 16591, 1}, 
     {"Trp Met Val [ C21 H30 N4 O4 S, db=56.25, overall=28.12 ]", ""}}, 
   {335.2815, 14.294109, "Meta"} -> {{6650290, 7658558, 8300903}, {"", ""}}, 
   {468.3816, 14.297306, "Meta"} -> {{2154783, 2306703, 4645119}, {"", ""}}, 
   {1044.7502, 14.296883, "Meta"} -> {{146742, 92994, 136573}, {"", ""}}, 
   {674.4608, 14.296427, "Meta"} -> {{27520, 1, 1}, {"", ""}}, 
   {1022.7092, 14.298482, "Meta"} -> {{132094, 88051, 48402}, {"", ""}}, 
   {1963.3293, 14.298726, "Meta"} -> {{77090, 91320, 95364}, {"", ""}}, 
   {577.3202, 14.3007145, "Meta"} -> {{30116, 22672, 30855}, 
     {"dihydro-alpha-ergocryptine [ C32 H43 N5 O5, db=34.25, overall=17.13, \
KEGG ID=, CAS ID= ]", ""}}, {1028.7731, 14.29594, "Meta"} -> 
    {{34404, 41818, 45434}, {"TG(22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z\
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Lipid ID=LMGL03012602, KEGG ID= ]", ""}}, {468.3218, 14.263261, "Meta"} -> 
    {{306674, 751035, 361351}, {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl\
)-9,11-didehydrovitamin D3 / 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, \
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   {1880.2303, 14.295215, "Meta"} -> {{160755, 1, 168057}, {"", ""}}, 
   {562.4212, 14.302342, "Meta"} -> {{2495823, 2995096, 2749208}, {"", ""}}, 
   {952.666, 14.2989645, "Meta"} -> {{29502, 33265, 29362}, {"", ""}}, 
   {366.3494, 14.30147, "Meta"} -> {{22954, 25525, 25816}, 
     {"Nervonic acid [ C24 H46 O2, db=79.78, overall=39.89, KEGG ID=, CAS \
ID=506-37-6 ]", "506-37-6"}}, {484.287, 14.291407, "Meta"} -> 
    {{38681, 31803, 30684}, {"", ""}}, {661.7696, 14.304938, "Meta"} -> 
    {{61082, 63024, 59953}, {"", ""}}, {1836.2034, 14.306453, "Meta"} -> 
    {{224765, 242427, 230923}, {"", ""}}, {634.0719, 14.305877, "Meta"} -> 
    {{51116, 42020, 1}, {"", ""}}, {603.0685, 14.306771, "Meta"} -> 
    {{69464, 76643, 75101}, {"", ""}}, {604.7206, 14.3060255, "Meta"} -> 
    {{50812, 41620, 42535}, {"", ""}}, {1748.1512, 14.302379, "Meta"} -> 
    {{359161, 364263, 359033}, {"", ""}}, {573.7178, 14.306849, "Meta"} -> 
    {{59059, 62864, 52104}, {"", ""}}, {1792.1765, 14.2968, "Meta"} -> 
    {{284053, 291459, 260204}, {"", ""}}, {60.0325, 14.311346, "Meta"} -> 
    {{369149, 282411, 337497}, {"Urea [ C H4 N2 O, db=87.29, overall=43.65, \
KEGG ID=C00086, CAS ID=57-13-6 ]", "57-13-6"}}, 
   {968.7169, 14.309335, "Meta"} -> {{63034, 50472, 60954}, {"", ""}}, 
   {1787.222, 14.30246, "Meta"} -> {{209032, 278738, 247719}, {"", ""}}, 
   {559.0424, 14.307241, "Meta"} -> {{42874, 51613, 45189}, {"", ""}}, 
   {590.0455, 14.306272, "Meta"} -> {{39243, 37032, 38827}, {"", ""}}, 
   {1831.2483, 14.304244, "Meta"} -> {{161964, 183440, 180185}, {"", ""}}, 
   {1743.1947, 14.307287, "Meta"} -> {{1, 368992, 1}, {"", ""}}, 
   {647.0946, 14.304667, "Meta"} -> {{68707, 72698, 62718}, {"", ""}}, 
   {1699.1694, 14.298276, "Meta"} -> {{318543, 447571, 398554}, {"", ""}}, 
   {630.768, 14.307372, "Meta"} -> {{73506, 89599, 82435}, {"", ""}}, 
   {1665.057, 14.310457, "Meta"} -> {{318007, 293197, 295557}, {"", ""}}, 
   {2012.3074, 14.281552, "Meta"} -> {{54794, 62540, 67861}, {"", ""}}, 
   {1924.2563, 14.306934, "Meta"} -> {{158486, 1, 116323}, {"", ""}}, 
   {1616.0728, 14.3115015, "Meta"} -> {{583328, 593988, 562968}, {"", ""}}, 
   {1875.2738, 14.2969675, "Meta"} -> {{119411, 1, 123384}, {"", ""}}, 
   {1550.0645, 14.311656, "Meta"} -> {{757653, 38824, 737913}, {"", ""}}, 
   {648.7473, 14.305516, "Meta"} -> {{44458, 38551, 41639}, {"", ""}}, 
   {1523.0645, 14.315276, "Meta"} -> {{480816, 707047, 630799}, {"", ""}}, 
   {1506.0385, 14.314786, "Meta"} -> {{802573, 850591, 800934}, {"", ""}}, 
   {1462.0117, 14.3143835, "Meta"} -> {{855078, 894940, 866188}, {"", ""}}, 
   {298.2506, 14.321658, "Meta"} -> {{599499, 199431, 202988}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=73.00, overall=36.50, \
Lipid ID=, KEGG ID= ]", ""}}, {650.4595, 14.318721, "Meta"} -> 
    {{22387, 20480, 24623}, {"", ""}}, {1435.0125, 14.319297, "Meta"} -> 
    {{518811, 777084, 656415}, {"", ""}}, {152.1198, 14.325621, "Meta"} -> 
    {{27542, 23563, 1}, {"Limonene-1,2-epoxide [ C10 H16 O, db=71.21, \
overall=35.61, Lipid ID=LMPR01020046, KEGG ID=C07271 ]", ""}}, 
   {1417.9856, 14.31611, "Meta"} -> {{914824, 932261, 910603}, {"", ""}}, 
   {596.3593, 14.318885, "Meta"} -> {{112189, 63079, 87649}, {"", ""}}, 
   {1373.9594, 14.321887, "Meta"} -> {{851369, 896085, 857759}, {"", ""}}, 
   {944.712, 14.3222, "Meta"} -> {{87545, 78775, 63322}, {"", ""}}, 
   {196.1459, 14.323223, "Meta"} -> {{20354, 24504, 28940}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=55.50, overall=27.75, Lipid ID=, \
KEGG ID= ]", ""}}, {1329.9312, 14.326601, "Meta"} -> 
    {{151252, 885660, 858798}, {"", ""}}, {1346.9602, 14.32572, "Meta"} -> 
    {{435053, 1, 550561}, {"", ""}}, {626.4591, 14.3310995, "Meta"} -> 
    {{75635, 22614, 148945}, {"", ""}}, {244.2189, 14.325999, "Meta"} -> 
    {{108552, 104234, 123380}, {"", ""}}, {325.2979, 14.328285, "Meta"} -> 
    {{54370, 48791, 60760}, {"N-(2-hydroxyethyl)oleamide [ C20 H39 N O2, \
db=68.35, overall=34.18, KEGG ID=, CAS ID= ]", ""}}, 
   {294.2551, 14.3272505, "Meta"} -> {{1.21*^7, 1.07*^7, 1.31*^7}, 
     {"Sterculic acid [ C19 H34 O2, db=82.34, overall=41.17, Lipid \
ID=LMFA01030190, KEGG ID= ]", ""}}, {262.2296, 14.327582, "Meta"} -> 
    {{473279, 436649, 514704}, {"6-[3]-ladderane-1-hexanol [ C18 H30 O, \
db=81.28, overall=40.64, Lipid ID=, KEGG ID= ]", ""}}, 
   {238.1927, 14.326264, "Meta"} -> {{21820, 18252, 28295}, 
     {"3-pentadecynoic acid [ C15 H26 O2, db=57.86, overall=28.93, Lipid ID=, \
KEGG ID= ]", ""}}, {392.2238, 14.332555, "Meta"} -> 
    {{104082, 80632, 91900}, {"6b-Hydroxycortisol [ C22 H32 O6, db=57.81, \
overall=28.91, KEGG ID=, CAS ID=53-35-0 ]", "53-35-0"}}, 
   {1285.907, 14.330352, "Meta"} -> {{714202, 770473, 745841}, {"", ""}}, 
   {198.1614, 14.327666, "Meta"} -> {{44004, 1, 41812}, 
     {"9-lauroleic acid [ C12 H22 O2, db=55.65, overall=27.83, Lipid \
ID=LMFA01030041, KEGG ID= ]", ""}}, {311.2817, 14.328415, "Meta"} -> 
    {{5045397, 4797260, 6278053}, {"", ""}}, {354.2882, 14.326629, "Meta"} -> 
    {{1007019, 776881, 1035845}, {"", ""}}, {1241.8809, 14.334071, "Meta"} -> 
    {{572176, 87615, 608625}, {"", ""}}, {410.1968, 14.332834, "Meta"} -> 
    {{25525, 1, 14312}, {"", ""}}, {920.7121, 14.328693, "Meta"} -> 
    {{114170, 79633, 111063}, {"", ""}}, {372.3238, 14.330667, "Meta"} -> 
    {{720609, 134463, 676884}, {"13,14-dihydroxy-docosanoic acid [ C22 H44 \
O4, db=92.68, overall=46.34, Lipid ID=, KEGG ID= ]", ""}}, 
   {1180.7678, 14.332838, "Meta"} -> {{130274, 96029, 105181}, {"", ""}}, 
   {1214.8828, 14.336967, "Meta"} -> {{223739, 361132, 266487}, {"", ""}}, 
   {1258.907, 14.333887, "Meta"} -> {{388030, 538584, 481250}, {"", ""}}, 
   {1170.852, 14.335778, "Meta"} -> {{125123, 339195, 286965}, {"", ""}}, 
   {1197.8549, 14.342236, "Meta"} -> {{497898, 527868, 501535}, {"", ""}}, 
   {1202.8094, 14.343749, "Meta"} -> {{67580, 58605, 56420}, {"", ""}}, 
   {1246.8376, 14.333188, "Meta"} -> {{339377, 51923, 302151}, {"", ""}}, 
   {1070.7347, 14.356584, "Meta"} -> {{44905, 35105, 44672}, {"", ""}}, 
   {587.9054, 14.341818, "Meta"} -> {{111903, 117097, 119545}, {"", ""}}, 
   {754.5154, 14.349834, "Meta"} -> {{65326, 1, 1}, {"", ""}}, 
   {576.9138, 14.348359, "Meta"} -> {{1, 17945, 18281}, {"", ""}}, 
   {442.4017, 14.35682, "Meta"} -> {{93544, 177582, 222228}, {"", ""}}, 
   {424.3913, 14.357807, "Meta"} -> {{48959, 57234, 53670}, {"", ""}}, 
   {406.3808, 14.358058, "Meta"} -> {{47721, 44408, 42875}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=83.65, \
overall=41.82, Lipid ID=, KEGG ID= ]", ""}}, 
   {1109.8003, 14.359261, "Meta"} -> {{90376, 89675, 104794}, {"", ""}}, 
   {880.6371, 14.358142, "Meta"} -> {{21928, 1, 28083}, {"", ""}}, 
   {854.6613, 14.358676, "Meta"} -> {{37780, 34916, 42064}, {"", ""}}, 
   {802.5359, 14.362123, "Meta"} -> {{3093102, 2329205, 2916117}, {"", ""}}, 
   {390.2761, 14.363417, "Meta"} -> {{9560801, 9315258, 9368819}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=96.27, \
overall=48.13, Lipid ID=, KEGG ID= ]", ""}}, {166.0263, 14.363825, "Meta"} -> 
    {{54018, 44652, 55279}, {"Benzoquinoneacetic acid [ C8 H6 O4, db=86.34, \
overall=43.17, HMP ID=HMDB02334, KEGG ID= ]", ""}}, 
   {506.2177, 14.361897, "Meta"} -> {{23078, 16442, 14652}, {"", ""}}, 
   {488.2453, 14.363861, "Meta"} -> {{53404, 27869, 32967}, 
     {"(3a,5b,7a,12a)-3,7-dihydroxy-12-(sulfooxy)cholan-24-oic acid [ C24 H40 \
O8 S, db=80.09, overall=40.05, HMP ID=HMDB02600, KEGG ID= ]", ""}}, 
   {1065.7736, 14.364685, "Meta"} -> {{71955, 78246, 63487}, {"", ""}}, 
   {148.0158, 14.363888, "Meta"} -> {{459682, 395892, 450234}, {"", ""}}, 
   {435.3347, 14.36872, "Meta"} -> {{585321, 831413, 703634}, {"", ""}}, 
   {260.1407, 14.364168, "Meta"} -> {{34435, 28590, 31775}, {"", ""}}, 
   {510.3212, 14.366528, "Meta"} -> {{216865, 105738, 227749}, 
     {"GPCho(8:0/8:0) [ C24 H49 N O8 P, db=69.20, overall=34.60, Lipid \
ID=LMGP01011251, KEGG ID= ]", ""}}, {421.319, 14.36807, "Meta"} -> 
    {{113059, 98896, 111328}, {"", ""}}, {278.1517, 14.363973, "Meta"} -> 
    {{162710, 143825, 180152}, {"", ""}}, {56.0626, 14.364111, "Meta"} -> 
    {{164925, 1, 165850}, {"", ""}}, {559.2364, 14.3670025, "Meta"} -> 
    {{54507, 37238, 44979}, {"", ""}}, {707.5107, 14.365907, "Meta"} -> 
    {{1, 30458, 52390}, {"", ""}}, {723.5778, 14.369323, "Meta"} -> 
    {{133076, 1, 128454}, {"", ""}}, {472.2919, 14.36994, "Meta"} -> 
    {{56949, 55373, 58505}, {"", ""}}, {612.496, 14.377229, "Meta"} -> 
    {{78788, 214842, 91885}, {"", ""}}, {693.5309, 14.366889, "Meta"} -> 
    {{91470, 71083, 96967}, {"", ""}}, {311.3178, 14.3759985, "Meta"} -> 
    {{850170, 597588, 804414}, {"", ""}}, {242.1879, 14.379251, "Meta"} -> 
    {{83817, 98033, 90342}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
db=85.66, overall=42.83, Lipid ID=, KEGG ID= ]", ""}}, 
   {206.1667, 14.376665, "Meta"} -> {{37933, 56880, 49823}, {"", ""}}, 
   {260.1984, 14.38937, "Meta"} -> {{1, 86890, 67223}, 
     {"3,11-dihydroxy myristoic acid [ C14 H28 O4, db=63.47, overall=31.73, \
Lipid ID=LMFA01050081, KEGG ID= ]", ""}}, {996.7662, 14.379554, "Meta"} -> 
    {{23389, 13333, 16133}, {"", ""}}, {429.2323, 14.385517, "Meta"} -> 
    {{81042, 45047, 65069}, {"", ""}}, {2021.3699, 14.398199, "Meta"} -> 
    {{60633, 1, 1}, {"", ""}}, {504.4169, 14.390971, "Meta"} -> 
    {{92635, 97746, 105572}, {"", ""}}, {540.4393, 14.375798, "Meta"} -> 
    {{102825, 176204, 1680568}, {"", ""}}, {890.7617, 14.388518, "Meta"} -> 
    {{107830, 72307, 104222}, {"", ""}}, {298.2869, 14.3915205, "Meta"} -> 
    {{1, 102964, 105662}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
db=67.14, overall=33.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {397.2157, 14.390834, "Meta"} -> {{35710, 18255, 25724}, {"", ""}}, 
   {666.5123, 14.391109, "Meta"} -> {{116770, 77451, 99635}, {"", ""}}, 
   {400.2142, 14.393068, "Meta"} -> {{54375, 32013, 41216}, 
     {"Trp Pro Val [ C21 H28 N4 O4, db=30.15, overall=15.08 ]", ""}}, 
   {284.2715, 14.392412, "Meta"} -> {{113102, 102787, 279850}, 
     {"Stearic acid [ C18 H36 O2, db=99.03, overall=49.51, KEGG ID=, CAS \
ID=57-11-4 ]", "57-11-4"}}, {432.2395, 14.391428, "Meta"} -> 
    {{1, 19719, 26589}, {"", ""}}, {382.2398, 14.392168, "Meta"} -> 
    {{241327, 176124, 162146}, {"", ""}}, {514.3634, 14.388402, "Meta"} -> 
    {{164515, 1, 1}, {"", ""}}, {442.2629, 14.3930025, "Meta"} -> 
    {{90674, 71938, 88772}, {"", ""}}, {457.239, 14.3956, "Meta"} -> 
    {{30141, 16885, 19099}, {"", ""}}, {408.3599, 14.406938, "Meta"} -> 
    {{23644, 54050, 25966}, {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, \
db=75.02, overall=37.51, Lipid ID=, KEGG ID= ]", ""}}, 
   {1938.2709, 14.402037, "Meta"} -> {{130760, 106129, 149661}, {"", ""}}, 
   {250.193, 14.395028, "Meta"} -> {{115741, 102603, 116100}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=73.78, overall=36.89, \
Lipid ID=, KEGG ID= ]", ""}}, {301.2979, 14.39117, "Meta"} -> 
    {{1, 32841, 31462}, {"Dihydrosphingosine [ C18 H39 N O2, db=85.23, \
overall=42.62, KEGG ID=C00836, CAS ID=764-22-7 ]", "764-22-7"}}, 
   {522.4279, 14.397862, "Meta"} -> {{202301, 250071, 215878}, {"", ""}}, 
   {1933.3156, 14.403201, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {416.2903, 14.408222, "Meta"} -> {{23565, 9034, 30941}, 
     {"(24R,25S)-25,26-epoxy-1alpha,24-dihydroxy-27-norvitamin D3 / \
(24R,25S)-25,26-epoxy-1alpha,24-dihydro [ C26 H40 O4, db=47.47, \
overall=23.74, Lipid ID=LMST03020037, KEGG ID= ]", ""}}, 
   {566.3937, 14.392841, "Meta"} -> {{1, 45416, 208594}, {"", ""}}, 
   {474.37, 14.399874, "Meta"} -> {{76813, 1, 1}, {"26,27-diethyl-1alpha,25-d\
ihydroxy-23-oxavitamin D3 / 26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ \
C30 H50 O4, db=85.87, overall=42.94, Lipid ID=LMST03020471, KEGG ID= ]", 
      ""}}, {612.4365, 14.406086, "Meta"} -> {{484222, 553296, 616843}, 
     {"", ""}}, {470.3972, 14.407165, "Meta"} -> {{1, 58394, 76870}, 
     {"", ""}}, {1850.2188, 14.408482, "Meta"} -> 
    {{218532, 1, 234253}, {"", ""}}, {566.4545, 14.401355, "Meta"} -> 
    {{978967, 473818, 184931}, {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, \
db=61.55, overall=30.77, Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, 
   {443.3973, 14.4052, "Meta"} -> {{87211, 193001, 107896}, {"", ""}}, 
   {681.1175, 14.41128, "Meta"} -> {{38615, 1, 38900}, {"", ""}}, 
   {1899.2042, 14.408434, "Meta"} -> {{102272, 91879, 112342}, {"", ""}}, 
   {1943.2288, 14.400298, "Meta"} -> {{75401, 64604, 84890}, {"", ""}}, 
   {664.7895, 14.409922, "Meta"} -> {{49484, 61233, 53019}, {"", ""}}, 
   {448.3536, 14.37326, "Meta"} -> {{211806, 292496, 343657}, 
     {"Teasterone [ C28 H48 O4, db=51.26, overall=25.63, Lipid \
ID=LMST01030121, KEGG ID= ]", ""}}, {1806.1923, 14.411065, "Meta"} -> 
    {{250162, 244149, 241712}, {"", ""}}, {486.4034, 14.407399, "Meta"} -> 
    {{33482, 1, 31441}, {"1alpha,25-dihydroxy-2beta-pentylvitamin D3 / \
1alpha,25-dihydroxy-2beta-pentylcholecalciferol [ C32 H54 O3, db=34.55, \
overall=17.27, Lipid ID=LMST03020520, KEGG ID= ]", ""}}, 
   {1855.1772, 14.401386, "Meta"} -> {{125127, 90781, 105187}, {"", ""}}, 
   {651.7665, 14.412334, "Meta"} -> {{41055, 38905, 47135}, {"", ""}}, 
   {593.0646, 14.419587, "Meta"} -> {{35367, 40700, 37214}, {"", ""}}, 
   {370.3077, 14.410557, "Meta"} -> {{1.42*^7, 4.18*^7, 6345728}, 
     {"Docosanedioic acid [ C22 H42 O4, db=97.13, overall=48.56, Lipid \
ID=LMFA01170037, KEGG ID= ]", ""}}, {404.3647, 14.4150305, "Meta"} -> 
    {{1, 69094, 99250}, {"5beta-Cholestane-3alpha,7alpha-diol [ C27 H48 O2, \
db=79.14, overall=39.57, Lipid ID=, KEGG ID= ]", ""}}, 
   {1757.2117, 14.41254, "Meta"} -> {{242850, 1, 1}, {"", ""}}, 
   {1801.2352, 14.410735, "Meta"} -> {{225484, 318730, 244542}, {"", ""}}, 
   {1811.1512, 14.408364, "Meta"} -> {{131099, 92973, 136014}, {"", ""}}, 
   {1762.1667, 14.414145, "Meta"} -> {{273360, 1, 1}, {"", ""}}, 
   {390.3488, 14.408688, "Meta"} -> {{88009, 107436, 62178}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=54.78, overall=27.39, \
Lipid ID=, KEGG ID= ]", ""}}, {583.4808, 14.395259, "Meta"} -> 
    {{23675, 49400, 40803}, {"", ""}}, {637.0912, 14.41594, "Meta"} -> 
    {{50949, 40971, 1}, {"", ""}}, {511.4232, 14.415657, "Meta"} -> 
    {{107614, 113927, 128624}, {"", ""}}, {387.335, 14.411082, "Meta"} -> 
    {{926320, 3733620, 761968}, {"", ""}}, {470.097, 14.418974, "Meta"} -> 
    {{1.65*^7, 9386716, 8867185}, {"", ""}}, {493.0873, 14.415969, "Meta"} -> 
    {{79380, 20218, 36743}, {"", ""}}, {1723.0979, 14.419501, "Meta"} -> 
    {{1, 1, 156415}, {"", ""}}, {1625.133, 14.422751, "Meta"} -> 
    {{333356, 1, 441418}, {"", ""}}, {1630.0883, 14.423135, "Meta"} -> 
    {{404058, 1, 396394}, {"", ""}}, {1635.048, 14.425599, "Meta"} -> 
    {{209647, 154886, 164309}, {"", ""}}, {1586.0623, 14.426733, "Meta"} -> 
    {{445315, 1, 437106}, {"", ""}}, {447.2265, 14.425441, "Meta"} -> 
    {{96377, 14546, 61689}, 
     {"Ser Arg Trp [ C20 H29 N7 O5, db=50.01, overall=25.00 ]", ""}}, 
   {1581.1057, 14.426365, "Meta"} -> {{368426, 1, 425669}, {"", ""}}, 
   {404.3037, 14.428638, "Meta"} -> {{476213, 211244, 552133}, {"", ""}}, 
   {1542.0363, 14.429039, "Meta"} -> {{421391, 1, 423150}, {"", ""}}, 
   {375.3134, 14.427285, "Meta"} -> {{21672, 1, 47152}, 
     {"N-(1,1-dimethyl-2-hydroxy-ethyl) arachidonoyl amine [ C24 H41 N O2, \
db=81.75, overall=40.88, Lipid ID=LMFA08020019, KEGG ID= ]", ""}}, 
   {1591.0197, 14.430484, "Meta"} -> {{203228, 146663, 185363}, {"", ""}}, 
   {361.2974, 14.432083, "Meta"} -> {{3256874, 3133061, 4533747}, 
     {"N-methyl N-(2-hydroxy-ethyl) arachidonoyl amine [ C23 H39 N O2, \
db=97.58, overall=48.79, Lipid ID=LMFA08020025, KEGG ID= ]", ""}}, 
   {344.2712, 14.433056, "Meta"} -> {{3472145, 640113, 932009}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=99.04, \
overall=49.52, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {1546.9941, 14.433572, "Meta"} -> {{212221, 178396, 198391}, {"", ""}}, 
   {1476.0247, 14.427167, "Meta"} -> {{453854, 82803, 72462}, {"", ""}}, 
   {506.4327, 14.461076, "Meta"} -> {{29306, 49444, 35250}, {"", ""}}, 
   {1502.967, 14.438209, "Meta"} -> {{192779, 150887, 1}, {"", ""}}, 
   {420.3577, 14.4446125, "Meta"} -> {{88786, 87162, 110504}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=65.27, \
overall=32.64, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {1387.9729, 14.434806, "Meta"} -> {{420173, 29290, 85039}, {"", ""}}, 
   {1493.0544, 14.434714, "Meta"} -> {{334241, 1, 469401}, {"", ""}}, 
   {511.2607, 14.419092, "Meta"} -> {{1, 39458, 1}, {"", ""}}, 
   {1449.0283, 14.43929, "Meta"} -> {{1, 1, 389234}, {"", ""}}, 
   {380.3653, 14.448362, "Meta"} -> {{155153, 166901, 188506}, 
     {"17Z-pentacosenoic acid [ C25 H48 O2, db=96.33, overall=48.17, Lipid \
ID=, KEGG ID= ]", ""}}, {1405.001, 14.443967, "Meta"} -> 
    {{251065, 1, 316865}, {"CL(1'-[16:0/18:1(11Z)],3'-[16:0/18:1(11Z)]) [ C77 \
H146 O17 P2, db=86.52, overall=43.26, Lipid ID=LMGP12010006, KEGG ID= ]", 
      ""}}, {1321.905, 14.456001, "Meta"} -> {{218601, 217373, 223102}, 
     {"", ""}}, {1316.9497, 14.455285, "Meta"} -> {{172208, 292920, 243503}, 
     {"", ""}}, {438.3322, 14.440999, "Meta"} -> {{32608, 1349317, 31823}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=78.36, \
overall=39.18, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {1277.8792, 14.461234, "Meta"} -> {{153161, 1, 182800}, {"", ""}}, 
   {1118.9772, 14.463029, "Meta"} -> {{92292, 63646, 70370}, {"", ""}}, 
   {636.9634, 14.461871, "Meta"} -> {{30483, 171350, 54604}, {"", ""}}, 
   {848.7128, 14.462386, "Meta"} -> {{30417, 1, 25408}, {"", ""}}, 
   {1238.8083, 14.467372, "Meta"} -> {{67453, 57480, 56520}, {"", ""}}, 
   {270.2551, 14.466167, "Meta"} -> {{1.64*^7, 1.3*^7, 1.59*^7}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=94.77, overall=47.38, \
Lipid ID=, KEGG ID= ]", ""}}, {287.2824, 14.466778, "Meta"} -> 
    {{1313569, 1529721, 1607170}, {"C17 Sphinganine [ C17 H37 N O2, db=99.39, \
overall=49.69, Lipid ID=LMSP01040003, KEGG ID= ]", ""}}, 
   {400.334, 14.474161, "Meta"} -> {{293587, 461975, 440239}, 
     {"(5E)-1alpha-hydroxy-3-epivitamin D_3 / \
(5E)-1alpha-hydroxy-3-epicholecalciferol [ C27 H44 O2, db=88.78, \
overall=44.39, Lipid ID=LMST03020234, KEGG ID= ]", ""}}, 
   {1194.7839, 14.473861, "Meta"} -> {{28826, 19983, 24163}, {"", ""}}, 
   {1168.9875, 14.479252, "Meta"} -> {{50168, 15067, 29197}, {"", ""}}, 
   {330.2883, 14.466946, "Meta"} -> {{333119, 227019, 256946}, {"", ""}}, 
   {320.2708, 14.478832, "Meta"} -> {{6702300, 1333504, 7437603}, 
     {"3a,20b-Pregnanediol [ C21 H36 O2, db=92.32, overall=46.16, HMP \
ID=HMDB02156, KEGG ID= ]", ""}}, {684.1372, 14.495041, "Meta"} -> 
    {{1, 84070, 48641}, {"", ""}}, {418.2392, 14.489999, "Meta"} -> 
    {{19160, 1, 16271}, 
     {"Met Arg Leu [ C17 H34 N6 O4 S, db=55.58, overall=27.79 ]", ""}}, 
   {337.2972, 14.478779, "Meta"} -> {{3600940, 4698985, 6375090}, {"", ""}}, 
   {948.7409, 14.486519, "Meta"} -> {{78272, 77660, 86211}, {"", ""}}, 
   {288.2448, 14.4851265, "Meta"} -> {{46105, 54677, 63900}, 
     {"8-[5]-ladderane-1-octanol [ C20 H32 O, db=62.66, overall=31.33, Lipid \
ID=, KEGG ID= ]", ""}}, {380.3036, 14.478943, "Meta"} -> 
    {{525808, 336828, 488307}, {"", ""}}, {351.3139, 14.491401, "Meta"} -> 
    {{40349, 51340, 48466}, {"Anandamide (20:2, n-6) [ C22 H41 N O2, \
db=69.92, overall=34.96, Lipid ID=LMFA08040002, KEGG ID= ]", ""}}, 
   {1124.8135, 14.482899, "Meta"} -> {{38319, 37936, 60373}, {"", ""}}, 
   {654.7867, 14.500103, "Meta"} -> {{62447, 67919, 63867}, {"", ""}}, 
   {671.1134, 14.4969425, "Meta"} -> {{59220, 43442, 51296}, {"", ""}}, 
   {645.3889, 14.488171, "Meta"} -> {{93710, 77942, 78683}, {"", ""}}, 
   {426.2745, 14.497218, "Meta"} -> {{127475, 1, 102792}, 
     {"(23S)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone [ C27 H38 \
O4, db=63.52, overall=31.76, Lipid ID=LMST03020599, KEGG ID= ]", ""}}, 
   {685.7893, 14.4935665, "Meta"} -> {{44270, 44433, 48960}, {"", ""}}, 
   {1947.3323, 14.498856, "Meta"} -> {{1, 144697, 120266}, {"", ""}}, 
   {1996.3118, 14.491321, "Meta"} -> {{92379, 89096, 23717}, {"", ""}}, 
   {641.7627, 14.502058, "Meta"} -> {{50232, 48914, 49299}, {"", ""}}, 
   {636.4919, 14.474574, "Meta"} -> {{259630, 248383, 303037}, {"", ""}}, 
   {2040.3385, 14.493648, "Meta"} -> {{72173, 87693, 61335}, {"", ""}}, 
   {627.0879, 14.50506, "Meta"} -> {{43087, 46712, 44659}, {"", ""}}, 
   {1991.3583, 14.495925, "Meta"} -> {{68940, 105727, 1}, {"", ""}}, 
   {494.3971, 14.493335, "Meta"} -> {{989790, 949320, 1}, {"", ""}}, 
   {592.4704, 14.502999, "Meta"} -> {{3350462, 3251497, 3713900}, {"", ""}}, 
   {919.681, 14.505394, "Meta"} -> {{43656, 19553, 30855}, {"", ""}}, 
   {807.8639, 14.509769, "Meta"} -> {{37098, 36591, 45349}, {"", ""}}, 
   {1903.3048, 14.502486, "Meta"} -> {{118606, 148102, 122904}, {"", ""}}, 
   {793.1883, 14.512266, "Meta"} -> {{17935, 23938, 29095}, {"", ""}}, 
   {1952.2863, 14.502277, "Meta"} -> {{1, 1, 103928}, {"", ""}}, 
   {1869.194, 14.502086, "Meta"} -> {{1, 69784, 1}, {"", ""}}, 
   {1908.2607, 14.504808, "Meta"} -> {{149295, 133158, 126007}, {"", ""}}, 
   {1820.2089, 14.511034, "Meta"} -> {{186687, 1, 1}, {"", ""}}, 
   {963.707, 14.513001, "Meta"} -> {{38758, 17219, 22743}, {"", ""}}, 
   {1781.1418, 14.511568, "Meta"} -> {{101096, 1, 1}, {"", ""}}, 
   {1776.1823, 14.514804, "Meta"} -> {{231475, 1, 1}, {"", ""}}, 
   {386.3397, 14.511031, "Meta"} -> {{1076072, 1037462, 1091942}, 
     {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=96.95, overall=48.47, KEGG \
ID=, CAS ID= ]", ""}}, {1815.2509, 14.512214, "Meta"} -> 
    {{150509, 1, 172705}, {"", ""}}, {252.2088, 14.522425, "Meta"} -> 
    {{1, 66609, 39936}, {"2E,4E-hexadecadienoic acid [ C16 H28 O2, db=60.20, \
overall=30.10, Lipid ID=, KEGG ID= ]", ""}}, 
   {1771.2264, 14.515609, "Meta"} -> {{152195, 249645, 1}, {"", ""}}, 
   {294.2194, 14.478001, "Meta"} -> {{138777, 82700, 58375}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=80.00, overall=40.00, \
Lipid ID=, KEGG ID= ]", ""}}, {546.4281, 14.479806, "Meta"} -> 
    {{34361, 456467, 447471}, {"", ""}}, {749.1626, 14.516725, "Meta"} -> 
    {{1, 41503, 1}, {"", ""}}, {596.4413, 14.516907, "Meta"} -> 
    {{157613, 198893, 213602}, {"", ""}}, {278.2243, 14.527305, "Meta"} -> 
    {{276778, 374515, 1}, {"beta-eleostearic acid [ C18 H30 O2, db=62.70, \
overall=31.35, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {763.8373, 14.514566, "Meta"} -> {{45321, 29424, 45567}, {"", ""}}, 
   {276.2084, 14.51291, "Meta"} -> {{63517, 67374, 49904}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=79.59, overall=39.79, Lipid \
ID=, KEGG ID= ]", ""}}, {1222.882, 14.507078, "Meta"} -> 
    {{1, 1, 68170}, {"", ""}}, {1693.0908, 14.519001, "Meta"} -> 
    {{131667, 90043, 117836}, {"", ""}}, {1683.1736, 14.522961, "Meta"} -> 
    {{197139, 323049, 1}, {"", ""}}, {576.4755, 14.530964, "Meta"} -> 
    {{892912, 1096064, 872656}, {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadien\
oyl)-sn-glycerol [ C36 H64 O5, db=81.99, overall=40.99, KEGG ID=, CAS ID= ]", 
      ""}}, {1112.8135, 14.532041, "Meta"} -> {{38701, 39630, 47354}, 
     {"", ""}}, {1551.0957, 14.537624, "Meta"} -> 
    {{187380, 1, 247364}, {"", ""}}, {1507.0687, 14.543251, "Meta"} -> 
    {{168485, 1, 1}, {"", ""}}, {1463.0459, 14.548631, "Meta"} -> 
    {{1, 1, 200362}, {"", ""}}, {412.2124, 14.560958, "Meta"} -> 
    {{19624, 1, 1}, {"", ""}}, {264.2448, 14.558638, "Meta"} -> 
    {{88478, 65916, 98479}, {"9,12-octadecadienal [ C18 H32 O, db=90.59, \
overall=45.30, Lipid ID=, KEGG ID= ]", ""}}, {296.2707, 14.557776, "Meta"} -> 
    {{8333921, 2916485, 9204838}, {"10-methylene-octadecanoic acid [ C19 H36 \
O2, db=84.40, overall=42.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {394.2399, 14.56191, "Meta"} -> {{66899, 39534, 57169}, {"", ""}}, 
   {356.3036, 14.558113, "Meta"} -> {{302255, 186811, 348346}, {"", ""}}, 
   {313.2974, 14.558834, "Meta"} -> {{2715600, 2600222, 3589568}, 
     {"N-(2-hydroxyethyl)heptadecanamide [ C19 H39 N O2, db=99.60, \
overall=49.80, KEGG ID=, CAS ID= ]", ""}}, {327.3145, 14.5584135, "Meta"} -> 
    {{20818, 27474, 22190}, {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, \
db=63.74, overall=31.87, KEGG ID=, CAS ID= ]", ""}}, 
   {496.4124, 14.55775, "Meta"} -> {{47550, 56639, 50754}, {"", ""}}, 
   {1330.9644, 14.569345, "Meta"} -> {{64927, 90292, 77089}, {"", ""}}, 
   {1224.9006, 14.558654, "Meta"} -> {{134283, 90242, 116199}, {"", ""}}, 
   {719.8112, 14.559839, "Meta"} -> {{1, 34883, 21550}, {"", ""}}, 
   {323.3189, 14.573417, "Meta"} -> {{934244, 511328, 590501}, {"", ""}}, 
   {2054.3523, 14.574896, "Meta"} -> {{1, 60045, 1}, {"", ""}}, 
   {563.4318, 14.564408, "Meta"} -> {{729147, 424760, 750318}, {"", ""}}, 
   {827.2118, 14.585125, "Meta"} -> {{24617, 36092, 40754}, {"", ""}}, 
   {387.3137, 14.578861, "Meta"} -> {{83715, 75872, 127681}, {"", ""}}, 
   {1128.8441, 14.582754, "Meta"} -> {{48291, 29806, 42306}, {"", ""}}, 
   {180.1507, 14.5836115, "Meta"} -> {{29724, 35657, 38304}, 
     {"3,6,8-dodecatrien-1-ol [ C12 H20 O, db=70.80, overall=35.40, Lipid \
ID=, KEGG ID= ]", ""}}, {435.3027, 14.588826, "Meta"} -> 
    {{1, 84723, 133396}, {"", ""}}, {394.3806, 14.587612, "Meta"} -> 
    {{105262, 98382, 127016}, {"Ximenic acid [ C26 H50 O2, db=85.28, \
overall=42.64, Lipid ID=LMFA01030095, KEGG ID= ]", ""}}, 
   {337.3338, 14.585556, "Meta"} -> {{2.93*^7, 8242782, 1.45*^7}, {"", ""}}, 
   {198.1615, 14.583165, "Meta"} -> {{124939, 124493, 139765}, 
     {"9-lauroleic acid [ C12 H22 O2, db=95.30, overall=47.65, Lipid \
ID=LMFA01030041, KEGG ID= ]", ""}}, {457.3779, 14.587459, "Meta"} -> 
    {{161309, 48949, 134562}, {"", ""}}, {397.3668, 14.5889435, "Meta"} -> 
    {{2073624, 485368, 1298211}, {"", ""}}, {518.3949, 14.583486, "Meta"} -> 
    {{324072, 210805, 360984}, {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)\
vitamin D3 / 1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, \
db=54.02, overall=27.01, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {382.3923, 14.588941, "Meta"} -> {{428968, 256161, 474623}, {"", ""}}, 
   {618.6064, 14.58071, "Meta"} -> {{164050, 23331, 142742}, {"", ""}}, 
   {2010.329, 14.5813465, "Meta"} -> {{1, 1, 79785}, {"", ""}}, 
   {749.5934, 14.587584, "Meta"} -> {{531003, 30635, 137508}, {"", ""}}, 
   {434.3736, 14.585371, "Meta"} -> {{82026, 33579, 92014}, 
     {"6-deoxoteasterone [ C28 H50 O3, db=57.43, overall=28.72, Lipid \
ID=LMST01030120, KEGG ID= ]", ""}}, {368.3762, 14.587169, "Meta"} -> 
    {{99135, 73734, 102144}, {"", ""}}, {675.7857, 14.585401, "Meta"} -> 
    {{44446, 33871, 34685}, {"", ""}}, {570.4849, 14.596359, "Meta"} -> 
    {{103530, 94742, 135419}, {"Dihydrospheroidene/ Methoxyneurosporene [ C41 \
H62 O, db=48.91, overall=24.45, Lipid ID=LMPR01070149, KEGG ID= ]", ""}}, 
   {646.5057, 14.597443, "Meta"} -> {{2484200, 2249017, 2785546}, {"", ""}}, 
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   {1878.251, 14.597361, "Meta"} -> {{96861, 68864, 62773}, {"", ""}}, 
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    {{85114, 24154, 123151}, {"", ""}}, {311.3186, 14.611917, "Meta"} -> 
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    {{305061, 225057, 259748}, {"", ""}}, {278.2243, 14.622764, "Meta"} -> 
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    {{29157, 42453, 27474}, {"", ""}}, {643.4046, 14.619277, "Meta"} -> 
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   {558.4647, 14.630633, "Meta"} -> {{332198, 186654, 298468}, {"", ""}}, 
   {587.268, 14.647654, "Meta"} -> {{85349, 249018, 35292}, {"", ""}}, 
   {594.4864, 14.647084, "Meta"} -> {{3562450, 3479846, 4892842}, 
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    {{182636, 558078, 102734}, {"GPCho(16:0/2:0[U]) [ C26 H53 N O8 P, \
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   {1241.8918, 14.621572, "Meta"} -> {{79749, 43686, 79614}, {"", ""}}, 
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   {477.3818, 14.653285, "Meta"} -> {{383090, 3550875, 302041}, {"", ""}}, 
   {284.2714, 14.654392, "Meta"} -> {{616092, 183295, 561021}, 
     {"Stearic acid [ C18 H36 O2, db=98.08, overall=49.04, KEGG ID=, CAS \
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    {{814344, 733602, 854381}, {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadieno\
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      ""}}, {404.3652, 14.650456, "Meta"} -> {{53729, 41638, 56082}, 
     {"5beta-Cholestane-3alpha,7alpha-diol [ C27 H48 O2, db=61.38, \
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   {1228.9321, 14.649517, "Meta"} -> {{376660, 252146, 369232}, {"", ""}}, 
   {301.298, 14.656277, "Meta"} -> {{154650, 62736, 135906}, 
     {"Dihydrosphingosine [ C18 H39 N O2, db=96.01, overall=48.00, KEGG \
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    {{88284, 409771, 57844}, {"2,4,6-Heptatrienoic acid, \
5-methyl-7-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-, (2E,4E,6E)- [ C17 H22 \
O3, db=85.11, overall=42.55, KEGG ID=, CAS ID=230976-85-9 ]", 
      "230976-85-9"}}, {504.4172, 14.684583, "Meta"} -> 
    {{1, 24442, 70263}, {"", ""}}, {572.4439, 14.696446, "Meta"} -> 
    {{295594, 906358, 96983}, {"", ""}}, {420.3589, 14.700999, "Meta"} -> 
    {{28697, 1, 107719}, {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, \
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   {672.5206, 14.677082, "Meta"} -> {{4923387, 3990768, 5300133}, {"", ""}}, 
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   {322.2869, 14.6890545, "Meta"} -> {{716210, 97768, 761343}, 
     {"18-methyl-5Z,9Z-eicosadienoic acid [ C21 H38 O2, db=89.79, \
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    {{203097, 194985, 216729}, {"", ""}}, {710.4678, 14.679098, "Meta"} -> 
    {{177633, 106480, 182511}, {"", ""}}, {382.3195, 14.691675, "Meta"} -> 
    {{136025, 53798, 126232}, {"", ""}}, {1931.3354, 14.685877, "Meta"} -> 
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    {{162020, 134624, 177786}, {"", ""}}, {1892.2664, 14.69138, "Meta"} -> 
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    {{115238, 62813, 149874}, {"", ""}}, {658.4167, 14.70937, "Meta"} -> 
    {{120373, 1, 134518}, {"", ""}}, {652.4213, 14.713416, "Meta"} -> 
    {{458271, 1, 272779}, {"", ""}}, {316.2608, 14.722626, "Meta"} -> 
    {{747545, 572241, 794319}, {"7,8-dihydroxy stearic acid [ C18 H36 O4, \
db=57.03, overall=28.52, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {618.4829, 14.717896, "Meta"} -> {{1.22*^7, 1, 1.19*^7}, {"", ""}}, 
   {464.3117, 14.712481, "Meta"} -> {{19208, 1, 1}, 
     {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic \
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   {627.543, 14.723062, "Meta"} -> {{57755, 51371, 68251}, {"", ""}}, 
   {298.2502, 14.720165, "Meta"} -> {{2315186, 2.04*^7, 2396803}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=96.33, overall=48.16, \
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    {{375072, 198553, 469333}, {"24-Nor-5beta-cholane-3alpha,7alpha,23-triol \
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   {787.8574, 14.717876, "Meta"} -> {{29276, 22220, 25013}, {"", ""}}, 
   {1248.9193, 14.717847, "Meta"} -> {{122005, 78773, 1}, {"", ""}}, 
   {1214.9626, 14.718625, "Meta"} -> {{13982, 1, 85765}, {"", ""}}, 
   {262.2295, 14.721832, "Meta"} -> {{152606, 135637, 159969}, 
     {"6-[3]-ladderane-1-hexanol [ C18 H30 O, db=86.76, overall=43.38, Lipid \
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    {{3161999, 3242352, 2891810}, {"13E,17-octadecadienoic acid [ C18 H32 O2, \
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   {641.5592, 14.724205, "Meta"} -> {{181049, 137775, 213271}, {"", ""}}, 
   {1230.9482, 14.721404, "Meta"} -> {{225182, 243533, 223855}, {"", ""}}, 
   {613.5278, 14.712639, "Meta"} -> {{184637, 204348, 174851}, {"", ""}}, 
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   {548.4439, 14.7357, "Meta"} -> {{258624, 291737, 285139}, {"", ""}}, 
   {660.5212, 14.728284, "Meta"} -> {{1423010, 1361627, 1607705}, {"", ""}}, 
   {327.314, 14.733674, "Meta"} -> {{42227, 24695, 53574}, 
     {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, db=66.95, overall=33.47, \
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    {{56583, 32794, 59403}, {"trans-gondoic acid [ C20 H38 O2, db=60.53, \
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   {583.4811, 14.737029, "Meta"} -> {{72176, 1, 87893}, {"", ""}}, 
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     {"1-(9Z,12Z-heptadecadienoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero\
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   {716.5471, 14.760383, "Meta"} -> {{630449, 551626, 574549}, {"", ""}}, 
   {389.3293, 14.748772, "Meta"} -> {{321500, 223954, 369366}, 
     {"(-)N-(1R-methyl-2-hydroxy-ethyl) alpha,alpha-dimethylarachidonoyl \
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    {{146461, 315087, 149919}, {"", ""}}, {438.3706, 14.765166, "Meta"} -> 
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     {"1alpha-hydroxy-24-methylvitamin D2 / \
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    {{680182, 497868, 792136}, {"", ""}}, {630.3825, 14.770709, "Meta"} -> 
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    {{855090, 889844, 1061275}, {"", ""}}, {298.2872, 14.814419, "Meta"} -> 
    {{2263441, 6591440, 7381158}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
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   {315.3136, 14.814669, "Meta"} -> {{2062028, 2051199, 2101941}, {"", ""}}, 
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   {1010.7714, 14.841031, "Meta"} -> {{1, 204795, 1}, {"", ""}}, 
   {861.6182, 14.853371, "Meta"} -> {{267511, 247971, 270320}, 
     {"Galabiosylceramide (d18:1/16:0) [ C46 H87 N O13, db=96.56, \
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   {339.3499, 14.845642, "Meta"} -> {{88148, 185219, 141596}, 
     {"Docosanamide [ C22 H45 N O, db=95.67, overall=47.83, HMP ID=HMDB00583, \
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    {{132092, 172319, 1}, {"", ""}}, {656.5257, 14.851055, "Meta"} -> 
    {{81368, 134031, 110412}, {"", ""}}, {1246.9775, 14.836859, "Meta"} -> 
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    {{58315, 87809, 75307}, {"Bis-[2-lyso-3-arachidonoyl-sn-glycerol]-1-phosp\
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     {"", ""}}, {712.4837, 14.8548, "Meta"} -> {{611238, 700320, 758682}, 
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     {"", ""}}, {468.3215, 14.851771, "Meta"} -> {{38839, 169649, 70784}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
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    {{1, 294654, 192470}, {"", ""}}, {341.3288, 14.878036, "Meta"} -> 
    {{11695, 61649, 1}, {"", ""}}, {324.3027, 14.878835, "Meta"} -> 
    {{28559, 82741, 53816}, {"2-propyl-9Z-octadecenoic Acid [ C21 H40 O2, \
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   {365.3654, 14.881139, "Meta"} -> {{93983, 206232, 127827}, {"", ""}}, 
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   {598.4571, 14.955258, "Meta"} -> {{194465, 241067, 206922}, {"", ""}}, 
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   {658.2433, 14.953439, "Meta"} -> {{28511, 20208, 35785}, {"", ""}}, 
   {720.5765, 14.894582, "Meta"} -> {{127867, 157049, 169160}, {"", ""}}, 
   {351.3499, 14.902113, "Meta"} -> {{179288, 230189, 178708}, {"", ""}}, 
   {1413.0363, 14.894115, "Meta"} -> {{139502, 249868, 239886}, {"", ""}}, 
   {1296.9957, 14.909416, "Meta"} -> {{1, 68286, 51864}, {"", ""}}, 
   {1299.0092, 14.927766, "Meta"} -> {{267047, 784219, 552183}, {"", ""}}, 
   {1454.0242, 14.914153, "Meta"} -> {{150605, 170469, 165964}, {"", ""}}, 
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   {1252.9672, 14.923705, "Meta"} -> {{1, 34629, 50702}, {"", ""}}, 
   {700.5531, 14.915303, "Meta"} -> {{5.48*^7, 6.95*^7, 7.17*^7}, {"", ""}}, 
   {798.5251, 14.918499, "Meta"} -> {{300261, 415387, 366833}, {"", ""}}, 
   {869.5117, 14.918613, "Meta"} -> {{164187, 188232, 177515}, {"", ""}}, 
   {1457.028, 14.91376, "Meta"} -> {{171195, 225805, 225643}, {"", ""}}, 
   {682.5412, 14.914805, "Meta"} -> {{79503, 105863, 94403}, {"", ""}}, 
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   {753.4737, 14.916138, "Meta"} -> {{164692, 212529, 197644}, {"", ""}}, 
   {914.7343, 14.930177, "Meta"} -> {{20326, 116655, 75274}, 
     {"TG(17:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] [ C60 H98 \
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   {428.3655, 14.930514, "Meta"} -> {{1036249, 1706483, 1572404}, 
     {"25-hydroxy-26,27-dimethylvitamin D3 / \
25-hydroxy-26,27-dimethylcholecalciferol [ C29 H48 O2, db=98.81, \
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   {858.6343, 14.935901, "Meta"} -> {{37648, 33647, 24163}, {"", ""}}, 
   {491.4338, 14.930941, "Meta"} -> {{43261, 131301, 78872}, {"", ""}}, 
   {468.3579, 14.935543, "Meta"} -> {{215141, 719455, 621819}, 
     {"1alpha,25-dihydroxy-26,27-dimethyl-22,22,23,23-tetradehydro-24a,24b-di\
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    {{1, 55640, 54295}, {"", ""}}, {576.4755, 14.971321, "Meta"} -> 
    {{170872, 211703, 181228}, {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadieno\
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     {"", ""}}, {744.4723, 14.964235, "Meta"} -> {{123238, 128464, 126557}, 
     {"", ""}}, {688.5515, 14.964059, "Meta"} -> 
    {{1.72*^7, 1.81*^7, 1.86*^7}, {"Etn-1-P-Cer(d14:1/18:0) [ C38 H77 N2 O6 \
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   {726.4995, 14.96664, "Meta"} -> {{320508, 434600, 451038}, {"", ""}}, 
   {509.4806, 14.9780655, "Meta"} -> {{44774, 72924, 47019}, 
     {"Cer(d18:1/14:0) [ C32 H63 N O3, db=92.56, overall=46.28, Lipid \
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    {{70299, 95532, 63626}, {"", ""}}, {430.3446, 14.98436, "Meta"} -> 
    {{351115, 578624, 580271}, {"2beta-methyl-1alpha,25-dihydroxyvitamin D_3 \
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   {500.3479, 14.986893, "Meta"} -> {{34723, 56601, 61911}, {"", ""}}, 
   {415.3571, 14.983973, "Meta"} -> {{980865, 1182343, 1134939}, {"", ""}}, 
   {529.303, 14.984667, "Meta"} -> {{16972, 11044, 10520}, {"", ""}}, 
   {415.3084, 14.981182, "Meta"} -> {{81887, 96430, 71730}, {"", ""}}, 
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   {836.6093, 15.621436, "Meta"} -> {{31939, 22870, 33809}, 
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   {824.6755, 15.634373, "Meta"} -> {{247239, 1, 1}, {"", ""}}, 
   {849.5563, 15.625002, "Meta"} -> {{40053, 163926, 155168}, {"", ""}}, 
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   {745.5994, 15.617443, "Meta"} -> {{3564421, 3283863, 3467241}, {"", ""}}, 
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    {{4.01*^7, 4.28*^7, 4.31*^7}, {"", ""}}, {771.6146, 15.732927, "Meta"} -> 
    {{1, 1, 3020406}, {"", ""}}, {901.5499, 15.709517, "Meta"} -> 
    {{485447, 475752, 435456}, {"", ""}}, {885.5777, 15.722668, "Meta"} -> 
    {{159192, 42024, 128007}, {"", ""}}, {838.69, 15.756972, "Meta"} -> 
    {{167627, 149793, 172989}, {"", ""}}, {826.6931, 15.772778, "Meta"} -> 
    {{1292717, 1000197, 1340672}, {"", ""}}, {578.5272, 15.79175, "Meta"} -> 
    {{1658123, 1445310, 1100791}, {"", ""}}, {646.4517, 15.798346, "Meta"} -> 
    {{28453, 24777, 1}, {"GPA(14:0/18:1(9Z)) [ C35 H67 O8 P, db=53.75, \
overall=26.87, Lipid ID=LMGP10010019, KEGG ID= ]", ""}}, 
   {629.6106, 15.80247, "Meta"} -> {{99163, 87152, 110317}, {"", ""}}, 
   {647.6218, 15.803638, "Meta"} -> {{516342, 460501, 572575}, 
     {"Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, db=94.85, overall=47.43, \
HMP ID=HMDB04953, KEGG ID= ]", ""}}, {618.52, 15.807126, "Meta"} -> 
    {{2580895, 1, 1}, {"1-octadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-gly\
cerol [ C39 H70 O5, db=91.14, overall=45.57, KEGG ID=, CAS ID= ]", ""}}, 
   {800.6776, 15.794722, "Meta"} -> {{2077846, 1766064, 1957928}, {"", ""}}, 
   {613.5643, 15.813304, "Meta"} -> {{2616140, 2225877, 1634094}, {"", ""}}, 
   {720.5875, 15.822541, "Meta"} -> {{1, 1, 196916}, 
     {"GPCho(O-16:0/16:0) [ C40 H83 N O7 P, db=74.12, overall=37.06, Lipid \
ID=LMGP01020029, KEGG ID= ]", ""}}, {863.6402, 15.794833, "Meta"} -> 
    {{501475, 618653, 522940}, {"", ""}}, {661.637, 15.824202, "Meta"} -> 
    {{28877, 22779, 30759}, {"", ""}}, {813.6251, 15.798603, "Meta"} -> 
    {{7136290, 6543689, 8628285}, {"", ""}}, {847.6456, 15.813998, "Meta"} -> 
    {{2640657, 3161901, 3434804}, {"", ""}}, {551.4249, 15.827079, "Meta"} -> 
    {{31234, 33696, 31872}, {"", ""}}, {797.6297, 15.801678, "Meta"} -> 
    {{2314562, 2287250, 2868124}, {"", ""}}, {661.4929, 15.831914, "Meta"} -> 
    {{52517, 50335, 49756}, {"", ""}}, {605.6104, 15.850416, "Meta"} -> 
    {{208402, 191865, 336617}, {"", ""}}, {834.2323, 15.869839, "Meta"} -> 
    {{1, 51747, 59997}, {"", ""}}, {831.2332, 15.870869, "Meta"} -> 
    {{1, 166903, 190643}, {"", ""}}, {627.5816, 15.898941, "Meta"} -> 
    {{424979, 359559, 162734}, {"", ""}}, {631.6267, 15.875499, "Meta"} -> 
    {{317530, 276926, 318402}, {"", ""}}, {592.5431, 15.88767, "Meta"} -> 
    {{218960, 186710, 141163}, {"", ""}}, {801.6253, 15.848322, "Meta"} -> 
    {{581628, 508797, 580577}, {"GPEtn(22:1(13Z)/18:0)[U] [ C45 H88 N O8 P, \
db=86.54, overall=43.27, Lipid ID=LMGP02010033, KEGG ID= ]", ""}}, 
   {632.5355, 15.902878, "Meta"} -> {{1, 1, 242087}, 
     {"1-(9Z-heptadecenoyl)-2-(11Z,14Z-eicosadienoyl)-sn-glycerol [ C40 H72 \
O5, db=87.97, overall=43.98, KEGG ID=, CAS ID= ]", ""}}, 
   {839.6394, 15.8606, "Meta"} -> {{566974, 757328, 725983}, {"", ""}}, 
   {814.6932, 15.912194, "Meta"} -> {{4333221, 3941079, 4372340}, {"", ""}}, 
   {852.6397, 15.911029, "Meta"} -> {{168623, 135351, 182064}, {"", ""}}, 
   {773.63, 15.906822, "Meta"} -> {{1424251, 1500473, 1646047}, {"", ""}}, 
   {823.6456, 15.917723, "Meta"} -> {{4750346, 4946533, 5351330}, {"", ""}}, 
   {649.6372, 15.946309, "Meta"} -> {{314956, 217630, 377466}, 
     {"N-Lignoceroylsphingosine [ C42 H83 N O3, db=98.89, overall=49.44, HMP \
ID=HMDB00831, KEGG ID= ]", ""}}, {861.593, 15.911041, "Meta"} -> 
    {{110615, 97927, 121829}, {"", ""}}, {849.6617, 15.960544, "Meta"} -> 
    {{4918560, 6957775, 6143149}, {"", ""}}, {606.5589, 16.002474, "Meta"} -> 
    {{3945051, 3359482, 2421085}, {"", ""}}, {887.608, 15.950258, "Meta"} -> 
    {{107024, 123555, 127137}, {"", ""}}, {646.5512, 16.021963, "Meta"} -> 
    {{1, 5876192, 4748945}, {"1-(9Z-octadecenoyl)-2-(11Z,14Z-eicosadienoyl)-s\
n-glycerol [ C41 H74 O5, db=90.48, overall=45.24, KEGG ID=, CAS ID= ]", ""}}, 
   {669.6274, 16.021229, "Meta"} -> {{899949, 733714, 573049}, {"", ""}}, 
   {663.653, 16.021738, "Meta"} -> {{39768, 40803, 53465}, 
     {"Ceramide (d18:1/25:0) [ C43 H85 N O3, db=93.46, overall=46.73, HMP \
ID=HMDB04957, KEGG ID= ]", ""}}, {580.3012, 15.999072, "Meta"} -> 
    {{1, 1, 90570}, {"", ""}}, {641.5965, 16.03561, "Meta"} -> 
    {{5958251, 5263270, 3689218}, {"", ""}}, {633.6424, 16.0732, "Meta"} -> 
    {{360023, 353558, 415264}, {"", ""}}, {875.6776, 16.05178, "Meta"} -> 
    {{4902033, 4950095, 5288377}, {"", ""}}, {877.6932, 16.229668, "Meta"} -> 
    {{8026780, 9150612, 8641749}, {"", ""}}, {903.7076, 16.322107, "Meta"} -> 
    {{1477011, 1486939, 1761145}, {"", ""}}, 
   {958.9559, 0.36646155, "Meta"} -> {{1, 26947, 1}, {"", ""}}, 
   {2422.0625, 0.37100002, "Meta"} -> {{30649, 26402, 1}, {"", ""}}, 
   {1742.01, 0.37975758, "Meta"} -> {{40426, 33939, 38808}, {"", ""}}, 
   {1578.0028, 0.38074994, "Meta"} -> {{44955, 43647, 1}, {"", ""}}, 
   {1988.023, 0.37995836, "Meta"} -> {{1, 19568, 1}, {"", ""}}, 
   {1824.0161, 0.38057694, "Meta"} -> {{1, 33912, 1}, {"", ""}}, 
   {547.9159, 0.39203572, "Meta"} -> {{1, 1, 158075}, {"", ""}}, 
   {721.7918, 0.40096295, "Meta"} -> {{81136, 78496, 17359}, {"", ""}}, 
   {557.7853, 0.40799993, "Meta"} -> {{164837, 167962, 157481}, {"", ""}}, 
   {791.6165, 0.41215378, "Meta"} -> {{18849, 41707, 17778}, {"", ""}}, 
   {633.7165, 0.41170967, "Meta"} -> {{32726, 29995, 30331}, {"", ""}}, 
   {252.1202, 0.45106667, "Meta"} -> {{89252, 87418, 81777}, 
     {"Pro His [ C11 H16 N4 O3, db=76.47, overall=38.23 ]", ""}}, 
   {246.1942, 0.46209374, "Meta"} -> {{75263, 76129, 82018}, {"", ""}}, 
   {278.1842, 0.46203128, "Meta"} -> {{65006, 68161, 88283}, {"", ""}}, 
   {304.1997, 0.46772003, "Meta"} -> {{40399, 37994, 37695}, {"", ""}}, 
   {218.1628, 0.46839395, "Meta"} -> {{86143, 85971, 79684}, {"", ""}}, 
   {274.1643, 0.46503848, "Meta"} -> {{33705, 37628, 35581}, 
     {"Ala Gly Lys [ C11 H22 N4 O4, db=47.47, overall=23.74 ]", ""}}, 
   {380.0201, 0.5091111, "Meta"} -> {{1, 78021, 301998}, {"", ""}}, 
   {352.0515, 0.53367996, "Meta"} -> {{47833, 54635, 1}, {"", ""}}, 
   {135.068, 0.55345714, "Meta"} -> {{208366, 202442, 206338}, 
     {"2-Phenylacetamide [ C8 H9 N O, db=85.97, overall=42.98, KEGG \
ID=C02505, CAS ID=103-81-1 ]", "103-81-1"}}, {281.1835, 0.605074, "Meta"} -> 
    {{132680, 79056, 1}, {"", ""}}, {115.0629, 0.69411117, "Meta"} -> 
    {{64621, 64689, 1}, {"Proline [ C5 H9 N O2, db=79.13, overall=39.57, KEGG \
ID=C00148, CAS ID=147-85-3 ]", "147-85-3"}}, {131.0587, 0.6995, "Meta"} -> 
    {{49734, 1, 106900}, {"Trans-4-Hydroxy-L-proline [ C5 H9 N O3, db=60.12, \
overall=30.06, KEGG ID=, CAS ID=51-35-4 ]", "51-35-4"}}, 
   {526.0667, 0.66112, "Meta"} -> {{1, 25178, 20985}, {"", ""}}, 
   {380.0206, 0.6642414, "Meta"} -> {{1, 255912, 1}, {"", ""}}, 
   {306.0645, 0.74877775, "Meta"} -> {{72783, 69783, 76160}, {"", ""}}, 
   {382.1085, 0.74347997, "Meta"} -> {{1, 62321, 42350}, {"", ""}}, 
   {345.1429, 0.8536799, "Meta"} -> {{1, 1, 33002}, {"", ""}}, 
   {138.0291, 0.95441395, "Meta"} -> {{38859, 1, 76085}, {"", ""}}, 
   {172.0702, 0.99353826, "Meta"} -> {{2.52*^7, 2.48*^7, 2.51*^7}, {"", ""}}, 
   {167.1155, 1.0165, "Meta"} -> {{596712, 1, 650802}, {"", ""}}, 
   {374.102, 1.0232002, "Meta"} -> {{111883, 53154, 89795}, {"", ""}}, 
   {143.0731, 1.2776923, "Meta"} -> {{466157, 501065, 1}, {"", ""}}, 
   {145.0524, 1.2775834, "Meta"} -> {{788353, 784072, 805150}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=90.43, overall=45.21, KEGG ID=, \
CAS ID=1532-72-5 ]", "1532-72-5"}}, {219.1104, 1.44356, "Meta"} -> 
    {{19440, 1, 31649}, {"Pantothenic Acid [ C9 H17 N O5, db=54.47, \
overall=27.23, KEGG ID=, CAS ID=137-08-6 ]", "137-08-6"}}, 
   {309.1688, 3.743654, "Meta"} -> {{28353, 35952, 44734}, 
     {"Pro Pro Pro [ C15 H23 N3 O4, db=83.74, overall=41.87 ]", ""}}, 
   {579.254, 6.318081, "Meta"} -> {{33337, 33082, 1}, 
     {"2-[[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-Ethane\
sulfonic acid [ C26 H45 N O9 S2, db=83.71, overall=41.85, HMP ID=HMDB02449, \
KEGG ID= ]", ""}}, {419.4932, 6.474, "Meta"} -> {{20609, 18607, 14726}, 
     {"", ""}}, {723.3073, 6.4805007, "Meta"} -> {{29342, 29366, 31425}, 
     {"", ""}}, {420.8636, 6.645, "Meta"} -> {{60367, 71256, 62864}, 
     {"", ""}}, {414.1035, 7.120406, "Meta"} -> {{35966, 36701, 34692}, 
     {"", ""}}, {1517.675, 7.538903, "Meta"} -> {{51678, 69406, 62969}, 
     {"", ""}}, {1106.4865, 7.75332, "Meta"} -> {{58927, 91697, 75362}, 
     {"", ""}}, {427.849, 7.8510604, "Meta"} -> {{57040, 79812, 70923}, 
     {"", ""}}, {239.9882, 8.1396, "Meta"} -> {{520526, 1, 145794}, 
     {"", ""}}, {313.2252, 8.670879, "Meta"} -> {{54110, 58814, 53754}, 
     {"", ""}}, {465.1866, 8.675655, "Meta"} -> {{46171, 91312, 58178}, 
     {"Biotripyrrin-b [ C25 H27 N3 O6, db=43.66, overall=21.83, HMP \
ID=HMDB03324, KEGG ID= ]", ""}}, {602.3041, 9.497844, "Meta"} -> 
    {{17246, 23850, 22091}, {"", ""}}, {559.2988, 9.497002, "Meta"} -> 
    {{1, 19289, 27847}, {"", ""}}, {263.127, 9.515958, "Meta"} -> 
    {{37174, 39948, 1}, {"", ""}}, {420.2259, 9.685075, "Meta"} -> 
    {{8934, 28680, 1}, 
     {"His His Lys [ C18 H28 N8 O4, db=54.50, overall=27.25 ]", ""}}, 
   {240.1338, 9.749299, "Meta"} -> {{39117, 43444, 38657}, {"", ""}}, 
   {176.0454, 9.963879, "Meta"} -> {{50178, 40823, 1}, {"", ""}}, 
   {533.1125, 10.0555, "Meta"} -> {{149928, 137739, 110707}, 
     {"Indomethacin glucuronide [ C25 H24 Cl N O10, db=40.58, overall=20.29, \
KEGG ID=, CAS ID=75523-11-4 ]", "75523-11-4"}}, 
   {593.1437, 10.055286, "Meta"} -> {{125239, 100847, 84519}, {"", ""}}, 
   {536.1192, 10.055125, "Meta"} -> {{75418, 63128, 45396}, {"", ""}}, 
   {335.1544, 10.10977, "Meta"} -> {{23502, 1, 26009}, 
     {"Cys Leu Thr [ C13 H25 N3 O5 S, db=37.55, overall=18.77 ]", ""}}, 
   {630.2684, 10.324069, "Meta"} -> {{46008, 51732, 47403}, {"", ""}}, 
   {219.129, 10.36744, "Meta"} -> {{78052, 250811, 67857}, {"", ""}}, 
   {250.1198, 10.418655, "Meta"} -> {{1, 1, 24879}, 
     {"Ubiquinone [ C14 H18 O4, db=60.72, overall=30.36, HMP ID=HMDB02012, \
KEGG ID= ]", ""}}, {302.184, 10.730654, "Meta"} -> 
    {{34090, 40023, 41264}, {"", ""}}, {323.228, 10.9723625, "Meta"} -> 
    {{275144, 560870, 587389}, {"", ""}}, {171.162, 11.016933, "Meta"} -> 
    {{20342, 40009, 40501}, {"", ""}}, {564.3483, 11.143167, "Meta"} -> 
    {{45670, 54634, 57808}, {"", ""}}, {273.0832, 11.159881, "Meta"} -> 
    {{53345, 37890, 41147}, {"", ""}}, {503.2805, 11.289723, "Meta"} -> 
    {{26209, 25927, 22090}, {"", ""}}, {396.1934, 11.289607, "Meta"} -> 
    {{45646, 40924, 36225}, {"Pregnenolone sulfate [ C21 H32 O5 S, db=58.26, \
overall=29.13, HMP ID=HMDB00774, KEGG ID= ]", ""}}, 
   {475.2532, 11.290502, "Meta"} -> {{61819, 57203, 55107}, {"", ""}}, 
   {632.2486, 11.370108, "Meta"} -> {{72304, 50481, 170518}, {"", ""}}, 
   {580.226, 11.39536, "Meta"} -> {{13425, 14320, 17287}, {"", ""}}, 
   {456.167, 11.397059, "Meta"} -> {{30667, 27514, 32999}, {"", ""}}, 
   {395.3032, 11.612541, "Meta"} -> {{45722, 51986, 39523}, {"", ""}}, 
   {360.3347, 11.940929, "Meta"} -> {{17493, 16430, 20922}, {"", ""}}, 
   {171.1081, 11.943874, "Meta"} -> {{659824, 302120, 588186}, {"", ""}}, 
   {396.2831, 12.028556, "Meta"} -> {{105092, 32322, 209447}, {"", ""}}, 
   {313.2616, 12.047375, "Meta"} -> {{255922, 1, 300899}, {"", ""}}, 
   {842.5207, 12.128361, "Meta"} -> {{33878, 38632, 1}, 
     {"Spiramycin 1 [ C43 H74 N2 O14, db=60.72, overall=30.36, KEGG \
ID=C01754, CAS ID=24916-50-5 ]", "24916-50-5"}}, 
   {604.1137, 12.167592, "Meta"} -> {{13990, 15846, 11779}, {"", ""}}, 
   {381.9989, 12.185469, "Meta"} -> {{34935, 28229, 24917}, {"", ""}}, 
   {572.2186, 12.2466, "Meta"} -> {{20282, 20479, 16855}, {"", ""}}, 
   {396.1641, 12.277833, "Meta"} -> {{28934, 31663, 1}, 
     {"Asn Tyr Thr [ C17 H24 N4 O7, db=61.81, overall=30.90 ]", ""}}, 
   {254.0726, 12.292558, "Meta"} -> {{60171, 79598, 27107}, 
     {"Acetaminophen-cysteine [ C11 H14 N2 O3 S, db=76.73, overall=38.36, \
KEGG ID=, CAS ID=64014-06-8 ]", "64014-06-8"}}, 
   {322.1171, 12.32875, "Meta"} -> {{22423, 26711, 25283}, {"", ""}}, 
   {614.4236, 12.339584, "Meta"} -> {{100196, 108853, 93193}, {"", ""}}, 
   {323.2098, 12.388596, "Meta"} -> {{113881, 116600, 128319}, 
     {"Betaxolol(hydroxylation) [ C18 H29 N O4, db=71.49, overall=35.74, KEGG \
ID=, CAS ID=87549-35-7 ]", "87549-35-7"}}, {618.251, 12.430832, "Meta"} -> 
    {{42696, 54895, 47558}, {"", ""}}, {438.3565, 12.462166, "Meta"} -> 
    {{34825, 32788, 41910}, {"", ""}}, {724.4581, 12.46508, "Meta"} -> 
    {{48020, 49945, 47934}, {"", ""}}, {336.228, 12.510321, "Meta"} -> 
    {{101139, 1, 82613}, {"15-epi-PGA1 [ C20 H32 O4, db=70.01, overall=35.01, \
Lipid ID=LMFA03010047, KEGG ID= ]", ""}}, {431.3032, 12.516041, "Meta"} -> 
    {{307409, 313232, 222435}, {"", ""}}, {339.2776, 12.558571, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {359.2849, 12.620791, "Meta"} -> 
    {{141224, 170808, 172769}, {"", ""}}, {1120.5815, 12.721594, "Meta"} -> 
    {{13846, 269394, 302863}, {"", ""}}, {360.0762, 12.647442, "Meta"} -> 
    {{15586, 17050, 13284}, {"", ""}}, {870.5521, 12.68296, "Meta"} -> 
    {{45849, 48779, 49513}, {"", ""}}, {594.374, 12.7149315, "Meta"} -> 
    {{64397, 66399, 66855}, {"7,8-Didehydroastaxanthin [ C40 H50 O4, \
db=74.93, overall=37.46, Lipid ID=LMPR01070051, KEGG ID= ]", ""}}, 
   {909.6228, 12.728479, "Meta"} -> {{27613, 30656, 1}, {"", ""}}, 
   {372.2657, 12.741412, "Meta"} -> {{26515, 48034, 24973}, 
     {"(22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid [ C24 H36 O3, db=63.76, \
overall=31.88, Lipid ID=, KEGG ID= ]", ""}}, {354.3241, 12.753935, "Meta"} -> 
    {{31354, 39352, 25405}, {"", ""}}, {633.4446, 12.767465, "Meta"} -> 
    {{28494, 42974, 44509}, {"", ""}}, {638.4002, 12.7673855, "Meta"} -> 
    {{40809, 40958, 1}, {"", ""}}, {546.238, 12.80944, "Meta"} -> 
    {{88752, 66141, 61338}, {"", ""}}, {430.2145, 12.858498, "Meta"} -> 
    {{25534, 34590, 42996}, {"", ""}}, {381.2643, 12.864834, "Meta"} -> 
    {{96971, 111748, 92002}, {"Sphinganine 1-phosphate [ C18 H40 N O5 P, \
db=61.19, overall=30.59, KEGG ID=C01120, CAS ID=19794-97-9 ]", 
      "19794-97-9"}}, {598.4292, 12.9028635, "Meta"} -> 
    {{555745, 615946, 101999}, {"", ""}}, {914.5791, 12.90653, "Meta"} -> 
    {{45284, 46833, 41854}, {"", ""}}, {909.6228, 12.903775, "Meta"} -> 
    {{35434, 50037, 49801}, {"", ""}}, {262.1504, 12.906483, "Meta"} -> 
    {{29360, 1, 32553}, {"", ""}}, {1613.9202, 12.9604435, "Meta"} -> 
    {{1, 29951, 1}, {"", ""}}, {519.8025, 12.93093, "Meta"} -> 
    {{55992, 89229, 118647}, {"", ""}}, {982.6032, 12.922208, "Meta"} -> 
    {{56121, 52765, 56954}, {"", ""}}, {1024.6497, 12.9421835, "Meta"} -> 
    {{491435, 422519, 458649}, {"", ""}}, {1148.6115, 12.963801, "Meta"} -> 
    {{92583, 63686, 67446}, {"", ""}}, {507.3326, 12.98204, "Meta"} -> 
    {{101938, 91744, 91022}, {"", ""}}, {1559.8555, 12.970627, "Meta"} -> 
    {{25280, 22350, 21798}, {"", ""}}, {1042.6005, 12.993199, "Meta"} -> 
    {{184832, 209661, 196116}, {"", ""}}, {1037.118, 13.003001, "Meta"} -> 
    {{26304, 37618, 23900}, {"", ""}}, {427.3661, 13.001041, "Meta"} -> 
    {{295016, 382440, 316370}, {"Stearoylcarnitine [ C25 H49 N O4, db=99.56, \
overall=49.78, HMP ID=HMDB00848, KEGG ID= ]", ""}}, 
   {1065.1241, 13.043728, "Meta"} -> {{1, 130790, 98947}, {"", ""}}, 
   {3153.9402, 13.013799, "Meta"} -> {{87818, 99023, 39642}, {"", ""}}, 
   {1062.6643, 13.043032, "Meta"} -> {{3.66*^7, 3.25*^7, 3.33*^7}, {"", ""}}, 
   {1691.9418, 13.075117, "Meta"} -> {{62008, 55117, 45814}, {"", ""}}, 
   {1124.6125, 13.074121, "Meta"} -> {{1, 369518, 306609}, {"", ""}}, 
   {840.5426, 13.075176, "Meta"} -> {{205273, 236418, 173049}, {"", ""}}, 
   {1610.915, 13.078408, "Meta"} -> {{86843, 110155, 1}, {"", ""}}, 
   {183.0655, 13.115752, "Meta"} -> {{177883, 188950, 195639}, {"", ""}}, 
   {2538.609, 13.147432, "Meta"} -> {{68801, 95758, 90681}, {"", ""}}, 
   {2562.6084, 13.136644, "Meta"} -> {{160735, 175662, 170336}, {"", ""}}, 
   {545.2796, 13.128334, "Meta"} -> {{24671, 25015, 18092}, {"", ""}}, 
   {1553.9612, 13.132172, "Meta"} -> {{79416, 125696, 1}, {"", ""}}, 
   {569.3479, 13.150904, "Meta"} -> {{1925968, 1398330, 1522588}, {"", ""}}, 
   {1354.8588, 13.150917, "Meta"} -> {{34159, 34645, 27279}, {"", ""}}, 
   {1645.9559, 13.165126, "Meta"} -> {{66524, 65596, 71590}, {"", ""}}, 
   {559.2929, 13.138584, "Meta"} -> {{85321, 81690, 20965}, {"", ""}}, 
   {384.2382, 13.160249, "Meta"} -> {{24077, 28608, 20792}, {"", ""}}, 
   {883.525, 13.1601515, "Meta"} -> {{94330, 83649, 51857}, {"", ""}}, 
   {319.2722, 13.161035, "Meta"} -> {{345542, 363830, 471634}, {"", ""}}, 
   {662.3214, 13.161371, "Meta"} -> {{23288, 28540, 15431}, {"", ""}}, 
   {643.322, 13.174154, "Meta"} -> {{1, 1, 19902}, {"", ""}}, 
   {583.2961, 13.172579, "Meta"} -> {{130882, 121696, 103042}, {"", ""}}, 
   {1505.898, 13.17625, "Meta"} -> {{28367, 27785, 25044}, {"", ""}}, 
   {970.6001, 13.182221, "Meta"} -> {{434732, 424234, 434418}, {"", ""}}, 
   {3039.9446, 13.20112, "Meta"} -> {{1, 1, 34854}, {"", ""}}, 
   {2967.8972, 13.195209, "Meta"} -> {{42638, 58702, 48553}, {"", ""}}, 
   {2498.639, 13.222151, "Meta"} -> {{333348, 417688, 112566}, {"", ""}}, 
   {1512.0118, 13.256168, "Meta"} -> {{342633, 324966, 326464}, {"", ""}}, 
   {788.5499, 13.282076, "Meta"} -> {{58865, 71246, 499307}, {"", ""}}, 
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   {400.2826, 13.33677, "Meta"} -> {{48462, 65518, 72127}, 
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   {426.2297, 13.336428, "Meta"} -> {{20287, 20765, 20135}, 
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   {1372.908, 13.695891, "Meta"} -> {{127293, 127714, 136433}, {"", ""}}, 
   {1523.95, 13.699626, "Meta"} -> {{63023, 77210, 88878}, {"", ""}}, 
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   {1000.5864, 13.70054, "Meta"} -> {{22350, 28129, 31084}, {"", ""}}, 
   {410.2824, 13.69748, "Meta"} -> {{13412, 29716, 9090}, 
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    {{42886, 43513, 45926}, {"2H-Indol-2-one, \
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    {{43954, 32812, 40187}, {"", ""}}, {1343.0792, 13.708042, "Meta"} -> 
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   {2146.3713, 13.775643, "Meta"} -> {{751401, 781072, 720025}, {"", ""}}, 
   {1317.8951, 13.782828, "Meta"} -> {{156242, 68704, 160722}, {"", ""}}, 
   {486.2722, 13.799001, "Meta"} -> {{36938, 42449, 39659}, {"", ""}}, 
   {1493.9999, 13.813615, "Meta"} -> {{75565, 56037, 202604}, {"", ""}}, 
   {1411.0074, 13.822881, "Meta"} -> {{167146, 155828, 197040}, {"", ""}}, 
   {364.3083, 13.814071, "Meta"} -> {{19100, 17029, 16820}, {"", ""}}, 
   {246.2344, 13.829058, "Meta"} -> {{27436, 17834, 26796}, 
     {"Dodecylbenzene [ C18 H30, db=83.32, overall=41.66, HMP ID=HMDB03542, \
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    {{48305, 23982, 52444}, {"Trihydroxycoprostanoic acid [ C28 H48 O5, \
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   {1273.8958, 13.833207, "Meta"} -> {{153329, 157257, 160377}, {"", ""}}, 
   {1692.0865, 13.839601, "Meta"} -> {{60158, 60985, 60258}, {"", ""}}, 
   {615.5204, 13.8424425, "Meta"} -> {{89191, 80000, 81193}, {"", ""}}, 
   {286.2509, 13.846881, "Meta"} -> {{688022, 773361, 662853}, 
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   {940.4012, 13.875486, "Meta"} -> {{136268, 164051, 134992}, {"", ""}}, 
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    {{120560, 71853, 127928}, {"", ""}}, {1178.4764, 13.877108, "Meta"} -> 
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    {{446130, 539519, 511584}, {"", ""}}, {1026.6364, 13.899459, "Meta"} -> 
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    {{32851, 57157, 57891}, {"", ""}}, {1155.8073, 13.909867, "Meta"} -> 
    {{1513288, 1455492, 1419522}, {"", ""}}, 
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   {1204.7888, 13.910968, "Meta"} -> {{497913, 943083, 599688}, {"", ""}}, 
   {412.319, 13.933791, "Meta"} -> {{1162614, 985457, 1379439}, {"", ""}}, 
   {429.3453, 13.92668, "Meta"} -> {{548426, 380696, 580861}, {"", ""}}, 
   {457.2311, 13.933417, "Meta"} -> {{68943, 52542, 59103}, {"", ""}}, 
   {625.5645, 13.932321, "Meta"} -> {{43761, 205563, 195409}, 
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   {392.1986, 13.933346, "Meta"} -> {{1, 30469, 22676}, 
     {"Betamethasone [ C22 H29 F O5, db=56.48, overall=28.24, KEGG ID=C06848, \
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    {{244965, 206038, 258331}, {"", ""}}, {905.6038, 13.9305, "Meta"} -> 
    {{114169, 121989, 124709}, {"", ""}}, {326.2818, 13.934208, "Meta"} -> 
    {{254609, 191796, 215921}, {"14R-hydroxy-11Z-eicosenoic acid [ C20 H38 \
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   {1512.9745, 13.943259, "Meta"} -> {{83899, 330622, 303913}, {"", ""}}, 
   {404.3248, 13.940714, "Meta"} -> {{286820, 278543, 259350}, {"", ""}}, 
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   {696.3306, 13.97226, "Meta"} -> {{37092, 36933, 27762}, {"", ""}}, 
   {368.3293, 13.973274, "Meta"} -> {{37797, 39856, 166423}, 
     {"2-oxo-tricosanoic acid [ C23 H44 O3, db=83.10, overall=41.55, Lipid \
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    {{57145, 66261, 86633}, {"", ""}}, {327.3138, 14.019958, "Meta"} -> 
    {{52334, 75367, 52229}, {"N-(2-hydroxyethyl)stearamide [ C20 H41 N O2, \
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   {432.3443, 14.042667, "Meta"} -> {{5923547, 5556930, 5156016}, {"", ""}}, 
   {1130.752, 14.0565195, "Meta"} -> {{560561, 614504, 550186}, {"", ""}}, 
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   {1416.8945, 14.065963, "Meta"} -> {{394127, 414099, 391059}, {"", ""}}, 
   {1478.0059, 14.069033, "Meta"} -> {{198840, 931349, 923997}, {"", ""}}, 
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   {388.3188, 14.077641, "Meta"} -> {{1801750, 1512561, 2348827}, {"", ""}}, 
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   {406.2871, 14.089751, "Meta"} -> {{161425, 173092, 198050}, {"", ""}}, 
   {442.3058, 14.054035, "Meta"} -> {{1, 227265, 91768}, 
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    {{1, 246742, 320637}, {"Progesterone [ C21 H30 O2, db=66.34, \
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   {415.3467, 14.121041, "Meta"} -> {{123736, 151328, 134699}, 
     {"tomatidine [ C27 H45 N O2, db=66.95, overall=33.47, Lipid \
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    {{102351, 66618, 66972}, {"GPCho(18:0/19:3(9Z,12Z,15Z)[U]) [ C45 H85 N O8 \
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   {248.2501, 14.149543, "Meta"} -> {{62050, 64287, 62126}, {"", ""}}, 
   {467.2466, 14.092066, "Meta"} -> {{54116, 41637, 41925}, 
     {"Penbutolol glucuronide [ C24 H37 N O8, db=37.20, overall=18.60, KEGG \
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    {{165773, 102154, 167531}, {"", ""}}, {1130.8466, 14.151208, "Meta"} -> 
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   {540.4366, 14.265166, "Meta"} -> {{1, 156300, 177462}, {"", ""}}, 
   {537.5111, 14.26788, "Meta"} -> {{91165, 72539, 91293}, 
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    {{42859, 43654, 49447}, {"", ""}}, {493.3546, 14.284119, "Meta"} -> 
    {{121700, 102217, 153747}, {"", ""}}, {462.2603, 14.291335, "Meta"} -> 
    {{68798, 98837, 38435}, {"Retinyl glucuronide [ C26 H38 O7, db=72.43, \
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   {294.165, 14.293693, "Meta"} -> {{122401, 166641, 67787}, {"", ""}}, 
   {1929.2153, 14.301193, "Meta"} -> {{90410, 79615, 72301}, {"", ""}}, 
   {1919.2993, 14.301039, "Meta"} -> {{75494, 1, 1}, {"", ""}}, 
   {678.0978, 14.303559, "Meta"} -> {{39284, 33400, 35464}, {"", ""}}, 
   {660.1179, 14.307345, "Meta"} -> {{61984, 79837, 64653}, {"", ""}}, 
   {616.0923, 14.309033, "Meta"} -> {{68478, 94534, 85937}, {"", ""}}, 
   {1968.2823, 14.29344, "Meta"} -> {{74727, 88801, 84977}, {"", ""}}, 
   {557.4655, 14.3256235, "Meta"} -> {{80503, 132585, 106283}, {"", ""}}, 
   {210.1611, 14.326935, "Meta"} -> {{28185, 19969, 30041}, 
     {"3E,5E-tridecadienoic acid [ C13 H22 O2, db=51.36, overall=25.68, Lipid \
ID=, KEGG ID= ]", ""}}, {280.2406, 14.322849, "Meta"} -> 
    {{210191, 195080, 163284}, {"13E,17-octadecadienoic acid [ C18 H32 O2, \
db=82.66, overall=41.33, Lipid ID=, KEGG ID= ]", ""}}, 
   {1302.9338, 14.329708, "Meta"} -> {{385121, 551483, 492979}, {"", ""}}, 
   {1224.7938, 14.333634, "Meta"} -> {{164107, 116713, 139862}, {"", ""}}, 
   {1158.784, 14.347498, "Meta"} -> {{97076, 54929, 56079}, {"", ""}}, 
   {412.258, 14.357724, "Meta"} -> {{7847068, 5636029, 6935160}, {"", ""}}, 
   {224.1775, 14.381326, "Meta"} -> {{665900, 698135, 151548}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=80.34, overall=40.17, \
Lipid ID=, KEGG ID= ]", ""}}, {540.3789, 14.368897, "Meta"} -> 
    {{578958, 338547, 361487}, {"", ""}}, {266.2606, 14.390668, "Meta"} -> 
    {{39615, 37281, 37930}, {"3E,13Z-octadecadien-1-ol [ C18 H34 O, db=80.14, \
overall=40.07, Lipid ID=, KEGG ID= ]", ""}}, 
   {1987.2571, 14.389832, "Meta"} -> {{51281, 1, 51365}, {"", ""}}, 
   {644.4889, 14.399479, "Meta"} -> {{166298, 128556, 160375}, {"", ""}}, 
   {782.5681, 14.399292, "Meta"} -> {{1226312, 2338715, 995256}, 
     {"GPCho(18:1(9Z)/18:3(9Z,12Z,15Z)[U]) [ C44 H81 N O8 P, db=94.15, \
overall=47.08, Lipid ID=LMGP01010899, KEGG ID= ]", ""}}, 
   {1982.2996, 14.399588, "Meta"} -> {{107004, 114840, 118492}, {"", ""}}, 
   {1977.3427, 14.395542, "Meta"} -> {{87582, 108642, 1}, {"", ""}}, 
   {415.3658, 14.408801, "Meta"} -> {{281698, 1423660, 280786}, {"", ""}}, 
   {1894.2448, 14.404812, "Meta"} -> {{192627, 166774, 190255}, {"", ""}}, 
   {539.2676, 14.406583, "Meta"} -> {{46468, 95403, 26612}, {"", ""}}, 
   {258.1832, 14.399001, "Meta"} -> {{97526, 364583, 80486}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=63.45, overall=31.73, \
Lipid ID=, KEGG ID= ]", ""}}, {1674.1147, 14.420113, "Meta"} -> 
    {{1, 344377, 397189}, {"", ""}}, {1669.1595, 14.419, "Meta"} -> 
    {{296508, 462801, 381680}, {"", ""}}, {607.7394, 14.417484, "Meta"} -> 
    {{37081, 42235, 39881}, {"", ""}}, {690.5302, 14.423751, "Meta"} -> 
    {{98465, 93649, 85529}, {"", ""}}, {410.3766, 14.434156, "Meta"} -> 
    {{87377, 70034, 30282}, {"", ""}}, {1458.941, 14.442542, "Meta"} -> 
    {{205015, 154495, 190342}, {"", ""}}, {1360.9753, 14.447921, "Meta"} -> 
    {{207025, 368530, 326778}, {"", ""}}, {415.4019, 14.450322, "Meta"} -> 
    {{23342, 19205, 35399}, {"", ""}}, {1326.8624, 14.456611, "Meta"} -> 
    {{119601, 91722, 113732}, {"", ""}}, {433.3763, 14.454422, "Meta"} -> 
    {{386266, 386811, 493042}, {"(+/-)N-(2-fluro-ethyl)-2,16,16-trimethyl-5Z,\
8Z,11Z,14Z-tricosatetraenoyl amine [ C28 H48 F N O, db=67.24, overall=33.62, \
Lipid ID=, KEGG ID= ]", ""}}, {450.3702, 14.42675, "Meta"} -> 
    {{130952, 120007, 127375}, {"3alpha,12alpha,25-trihydroxy-5beta-cholestan\
-7-one [ C28 H50 O4, db=86.51, overall=43.25, Lipid ID=, KEGG ID= ]", ""}}, 
   {998.7598, 14.480124, "Meta"} -> {{15522, 9679, 13263}, {"", ""}}, 
   {568.4706, 14.499832, "Meta"} -> {{849094, 126541, 819642}, {"", ""}}, 
   {640.1112, 14.502998, "Meta"} -> {{38065, 75732, 74045}, {"", ""}}, 
   {537.4164, 14.511375, "Meta"} -> {{566215, 549041, 818904}, {"", ""}}, 
   {1859.2772, 14.508418, "Meta"} -> {{125449, 203157, 1}, {"", ""}}, 
   {820.8858, 14.511085, "Meta"} -> {{39335, 40474, 48517}, 
     {"Iohexol [ C19 H26 I3 N3 O9, db=28.84, overall=14.42, KEGG ID=, CAS \
ID=66108-95-0 ]", "66108-95-0"}}, {403.3657, 14.511079, "Meta"} -> 
    {{291397, 375922, 288038}, {"", ""}}, {484.3078, 14.513251, "Meta"} -> 
    {{60522, 49002, 45675}, {"", ""}}, {556.449, 14.513818, "Meta"} -> 
    {{187126, 197549, 194049}, {"", ""}}, {1727.2, 14.51852, "Meta"} -> 
    {{194481, 1, 1}, {"", ""}}, {371.3507, 14.486881, "Meta"} -> 
    {{55740, 29538, 35184}, {"", ""}}, {1428.9324, 14.556345, "Meta"} -> 
    {{44409, 35919, 56634}, {"", ""}}, {246.2343, 14.558037, "Meta"} -> 
    {{1, 17467, 29008}, {"Dodecylbenzene [ C18 H30, db=85.43, overall=42.71, \
HMP ID=HMDB03542, KEGG ID= ]", ""}}, {704.547, 14.558501, "Meta"} -> 
    {{48203, 36240, 48380}, {"", ""}}, {353.239, 14.559209, "Meta"} -> 
    {{118174, 88707, 66629}, {"", ""}}, {320.307, 14.586639, "Meta"} -> 
    {{42988, 14571, 26150}, {"", ""}}, {674.1341, 14.583749, "Meta"} -> 
    {{1, 70066, 39076}, {"", ""}}, {1922.2782, 14.597296, "Meta"} -> 
    {{116395, 90461, 84472}, {"", ""}}, {648.6536, 14.599898, "Meta"} -> 
    {{465202, 55002, 293064}, {"", ""}}, {721.5625, 14.639969, "Meta"} -> 
    {{112718, 61357, 56869}, {"", ""}}, {796.2077, 14.596042, "Meta"} -> 
    {{49435, 60343, 31681}, {"", ""}}, {356.3766, 14.611617, "Meta"} -> 
    {{204418, 151283, 253557}, {"", ""}}, {729.6274, 14.614373, "Meta"} -> 
    {{53119, 720111, 19961}, {"", ""}}, {616.4684, 14.621041, "Meta"} -> 
    {{7576694, 5438538, 8126688}, {"", ""}}, {292.1672, 14.630277, "Meta"} -> 
    {{123733, 628489, 68347}, {"", ""}}, {783.0571, 14.639333, "Meta"} -> 
    {{72637, 44943, 78209}, {"", ""}}, {516.2764, 14.643195, "Meta"} -> 
    {{42633, 199085, 1}, {"", ""}}, {126.1405, 14.642334, "Meta"} -> 
    {{76336, 396496, 1}, {"", ""}}, {449.3507, 14.649598, "Meta"} -> 
    {{221728, 1012156, 106148}, {"", ""}}, {714.5294, 14.645124, "Meta"} -> 
    {{123907, 90190, 96807}, {"1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-(4Z,\
7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol [ C47 H70 O5, db=26.90, \
overall=13.45, KEGG ID=, CAS ID= ]", ""}}, {148.0158, 14.662999, "Meta"} -> 
    {{182954, 801038, 1}, {"", ""}}, {1975.3611, 14.680179, "Meta"} -> 
    {{63031, 54242, 70605}, {"", ""}}, {1304.9498, 14.676501, "Meta"} -> 
    {{148249, 133296, 140346}, {"", ""}}, {1288.9882, 14.677895, "Meta"} -> 
    {{1, 348606, 568518}, {"", ""}}, {314.2456, 14.663063, "Meta"} -> 
    {{190985, 94407, 185045}, {"Octadecanedioic acid [ C18 H34 O4, db=84.30, \
overall=42.15, HMP ID=HMDB00782, KEGG ID= ]", ""}}, 
   {1887.3066, 14.691118, "Meta"} -> {{65531, 88879, 1}, {"", ""}}, 
   {718.5628, 14.687387, "Meta"} -> {{322346, 308089, 376444}, {"", ""}}, 
   {623.4396, 14.6919565, "Meta"} -> {{89102, 98053, 110448}, {"", ""}}, 
   {645.6059, 14.685749, "Meta"} -> {{52959, 42709, 65715}, {"", ""}}, 
   {628.3971, 14.698038, "Meta"} -> {{67458, 53590, 63473}, {"", ""}}, 
   {1843.2805, 14.697259, "Meta"} -> {{61858, 68441, 76902}, {"", ""}}, 
   {648.5186, 14.694042, "Meta"} -> {{141322, 137551, 158728}, {"", ""}}, 
   {408.3972, 14.705543, "Meta"} -> {{34348, 59628, 30729}, 
     {"2,4-dimethyl-2-pentacosenoic acid [ C27 H52 O2, db=74.43, \
overall=37.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {1226.7506, 14.711852, "Meta"} -> {{194885, 152004, 201180}, 
     {"Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=97.82, \
overall=48.91, HMP ID=HMDB04902, KEGG ID= ]", ""}}, 
   {645.4183, 14.717676, "Meta"} -> {{137320, 117815, 178946}, {"", ""}}, 
   {698.468, 14.730161, "Meta"} -> {{60333, 39715, 50267}, {"", ""}}, 
   {758.5008, 14.730802, "Meta"} -> {{53736, 57662, 81711}, {"", ""}}, 
   {337.2991, 14.743073, "Meta"} -> {{369950, 50826, 319272}, {"", ""}}, 
   {567.4826, 14.741691, "Meta"} -> {{99476, 133852, 132351}, {"", ""}}, 
   {335.2823, 14.734916, "Meta"} -> {{370209, 1, 330452}, {"", ""}}, 
   {224.1774, 14.743076, "Meta"} -> {{48152, 41727, 71542}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=58.15, overall=29.08, \
Lipid ID=, KEGG ID= ]", ""}}, {311.2823, 14.741, "Meta"} -> 
    {{340540, 226172, 356732}, {"", ""}}, {410.3415, 14.759458, "Meta"} -> 
    {{1379362, 1, 412910}, {"", ""}}, {578.4528, 14.761768, "Meta"} -> 
    {{79348, 83073, 89323}, {"", ""}}, {821.8807, 14.768291, "Meta"} -> 
    {{32899, 38713, 41941}, {"", ""}}, {454.306, 14.7669325, "Meta"} -> 
    {{215626, 1201007, 146001}, {"26,26,26-trifluoro-25-hydroxyvitamin D3 / \
26,26,26-trifluoro-25-hydroxycholecalciferol [ C27 H41 F3 O2, db=96.49, \
overall=48.25, Lipid ID=LMST03020131, KEGG ID= ]", ""}}, 
   {754.4952, 14.762309, "Meta"} -> {{22081, 23514, 35774}, {"", ""}}, 
   {544.4848, 14.776436, "Meta"} -> {{67907, 69946, 74150}, {"", ""}}, 
   {1023.6713, 14.774457, "Meta"} -> {{116279, 107663, 114199}, 
     {"Trihexosylceramide (d18:1/16:0) [ C52 H97 N O18, db=90.02, \
overall=45.01, HMP ID=HMDB04879, KEGG ID= ]", ""}}, 
   {278.1698, 14.775679, "Meta"} -> {{133466, 124885, 107142}, {"", ""}}, 
   {647.6214, 14.772876, "Meta"} -> {{49134, 45226, 53039}, 
     {"Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, db=98.12, overall=49.06, \
HMP ID=HMDB04953, KEGG ID= ]", ""}}, {434.3759, 14.783721, "Meta"} -> 
    {{61171, 103023, 155220}, {"6-deoxoteasterone [ C28 H50 O3, db=63.15, \
overall=31.57, Lipid ID=LMST01030120, KEGG ID= ]", ""}}, 
   {724.4845, 14.780425, "Meta"} -> {{27160, 21580, 29120}, {"", ""}}, 
   {406.3782, 14.821377, "Meta"} -> {{39374, 41285, 43253}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=55.72, \
overall=27.86, Lipid ID=, KEGG ID= ]", ""}}, {704.5472, 14.802679, "Meta"} -> 
    {{64841, 50066, 65882}, {"", ""}}, {1249.0677, 14.813335, "Meta"} -> 
    {{34860, 16477, 17592}, {"", ""}}, {843.4971, 14.847156, "Meta"} -> 
    {{99941, 110160, 110751}, {"", ""}}, {2045.5883, 14.842042, "Meta"} -> 
    {{83786, 111459, 101428}, {"", ""}}, {2720.1182, 14.840377, "Meta"} -> 
    {{116161, 140581, 134480}, {"", ""}}, {2061.5564, 14.8452215, "Meta"} -> 
    {{207996, 231822, 242454}, {"", ""}}, {1239.9836, 14.848166, "Meta"} -> 
    {{54537, 59243, 80441}, {"", ""}}, {1387.0208, 14.848454, "Meta"} -> 
    {{396208, 521341, 544386}, {"", ""}}, {565.4473, 14.858251, "Meta"} -> 
    {{309610, 345754, 412672}, {"", ""}}, {1226.951, 14.852665, "Meta"} -> 
    {{37141, 74915, 45227}, {"", ""}}, {1419.0518, 14.88988, "Meta"} -> 
    {{1, 27462, 26959}, {"", ""}}, {455.3974, 14.8894205, "Meta"} -> 
    {{763702, 32168, 341003}, {"", ""}}, {483.4287, 14.892069, "Meta"} -> 
    {{1933904, 51827, 598488}, {"", ""}}, {1375.0894, 14.895823, "Meta"} -> 
    {{1050665, 1344464, 1304328}, {"", ""}}, {469.413, 14.892142, "Meta"} -> 
    {{6067673, 188268, 2172844}, {"", ""}}, {280.2035, 14.893897, "Meta"} -> 
    {{1296361, 31598, 440118}, 
     {"12S-HHTrE [ C17 H28 O3, db=88.18, overall=44.09, KEGG ID=, CAS ID= ]", 
      ""}}, {2113.588, 14.897228, "Meta"} -> {{90622, 123531, 107310}, 
     {"", ""}}, {1292.0153, 14.903293, "Meta"} -> {{160880, 194328, 249642}, 
     {"", ""}}, {2139.604, 14.913654, "Meta"} -> {{323606, 480571, 389336}, 
     {"", ""}}, {1521.0576, 14.912457, "Meta"} -> {{31999, 40943, 36214}, 
     {"", ""}}, {738.4997, 14.919686, "Meta"} -> {{967684, 1308181, 1253924}, 
     {"", ""}}, {1885.4286, 14.923374, "Meta"} -> {{24678, 23523, 28964}, 
     {"", ""}}, {892.7136, 14.926122, "Meta"} -> {{779490, 73490, 816117}, 
     {"", ""}}, {406.3781, 14.850402, "Meta"} -> {{51585, 46842, 31831}, 
     {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ C27 H50 O2, db=63.39, \
overall=31.69, Lipid ID=, KEGG ID= ]", ""}}, {607.4578, 14.934502, "Meta"} -> 
    {{178682, 191588, 178530}, {"", ""}}, {1389.1053, 14.947632, "Meta"} -> 
    {{895355, 978537, 1168448}, {"", ""}}, {1363.0868, 14.951377, "Meta"} -> 
    {{103780, 111603, 128929}, {"", ""}}, {1415.0522, 14.961962, "Meta"} -> 
    {{182372, 160977, 201442}, {"", ""}}, {857.512, 14.964919, "Meta"} -> 
    {{68986, 61827, 59640}, {"", ""}}, {1142.867, 14.976418, "Meta"} -> 
    {{16443, 17955, 17168}, {"", ""}}, {1266.9861, 14.97788, "Meta"} -> 
    {{85415, 91539, 86832}, {"", ""}}, {1154.8688, 14.982498, "Meta"} -> 
    {{56490, 68047, 13586}, {"", ""}}, {390.277, 15.002232, "Meta"} -> 
    {{268323, 393662, 280686}, {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic \
Acid [ C24 H38 O4, db=85.91, overall=42.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {752.5832, 15.019201, "Meta"} -> {{102511, 108302, 113252}, {"", ""}}, 
   {484.3526, 15.004758, "Meta"} -> {{73166, 1, 34073}, 
     {"(22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimethyl-23,24-tetradehydro-\
20-epivitamin D3 / (22S)-1alph [ C31 H48 O4, db=66.11, overall=33.06, Lipid \
ID=LMST03020487, KEGG ID= ]", ""}}, {367.3811, 15.008845, "Meta"} -> 
    {{39005, 32801, 33949}, {"", ""}}, {677.5002, 15.038733, "Meta"} -> 
    {{392103, 491534, 404205}, {"GPEtn(13:0/18:0)[U] [ C36 H72 N O8 P, \
db=95.91, overall=47.95, Lipid ID=LMGP02010240, KEGG ID= ]", ""}}, 
   {1391.1198, 15.0320015, "Meta"} -> {{211150, 213646, 251411}, {"", ""}}, 
   {1454.0837, 15.034749, "Meta"} -> {{149384, 152576, 158560}, {"", ""}}, 
   {1380.0681, 15.047085, "Meta"} -> {{226631, 237509, 253566}, {"", ""}}, 
   {755.4903, 15.05794, "Meta"} -> {{184236, 139875, 143769}, {"", ""}}, 
   {784.5607, 15.058108, "Meta"} -> {{1, 1, 56998}, {"", ""}}, 
   {758.4878, 15.060915, "Meta"} -> {{584825, 452081, 548056}, {"", ""}}, 
   {818.5122, 15.060144, "Meta"} -> {{199588, 120802, 181644}, {"", ""}}, 
   {737.5, 15.062039, "Meta"} -> {{187656, 169652, 110425}, {"", ""}}, 
   {1283.0142, 15.076242, "Meta"} -> {{91771, 129580, 103863}, {"", ""}}, 
   {2171.6577, 15.092257, "Meta"} -> {{87653, 98882, 75104}, {"", ""}}, 
   {995.0105, 15.10904, "Meta"} -> {{33857, 1, 32435}, {"", ""}}, 
   {488.4462, 15.100375, "Meta"} -> {{16346, 24004, 20969}, {"", ""}}, 
   {1469.0988, 15.108223, "Meta"} -> {{162760, 198830, 184097}, {"", ""}}, 
   {1506.1136, 15.1095, "Meta"} -> {{286348, 621790, 574145}, {"", ""}}, 
   {471.3568, 15.111719, "Meta"} -> {{35044, 77823, 89518}, {"", ""}}, 
   {1322.0612, 15.118584, "Meta"} -> {{37312, 37432, 41228}, {"", ""}}, 
   {828.6716, 15.138119, "Meta"} -> {{72872, 77354, 79503}, {"", ""}}, 
   {593.4785, 15.136201, "Meta"} -> {{325290, 294473, 318999}, {"", ""}}, 
   {697.5053, 15.145536, "Meta"} -> {{1, 40128, 41401}, 
     {"1-tetrahexanoyl-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolam\
ine [ C39 H72 N O7 P, db=68.26, overall=34.13, Lipid ID=, KEGG ID= ]", ""}}, 
   {803.5472, 15.149806, "Meta"} -> {{3419074, 4094903, 3544844}, {"", ""}}, 
   {619.4939, 15.1440735, "Meta"} -> {{80769, 59628, 75875}, 
     {"CerP(d18:0/16:0) [ C34 H70 N O6 P, db=93.09, overall=46.55, Lipid \
ID=LMSP02050003, KEGG ID= ]", ""}}, {558.4257, 15.139498, "Meta"} -> 
    {{40433, 36037, 35926}, {"", ""}}, {622.4963, 15.142163, "Meta"} -> 
    {{29743, 28823, 28844}, {"", ""}}, {820.6892, 15.14996, "Meta"} -> 
    {{26017, 21096, 18437}, {"", ""}}, {893.5938, 15.154918, "Meta"} -> 
    {{88318, 76580, 84160}, {"", ""}}, {663.5204, 15.159599, "Meta"} -> 
    {{38593, 37945, 42351}, {"", ""}}, {779.5471, 15.188432, "Meta"} -> 
    {{3.29*^7, 3.74*^7, 4.42*^7}, {"", ""}}, {851.5445, 15.182407, "Meta"} -> 
    {{46210, 41440, 39403}, {"", ""}}, {805.5616, 15.247258, "Meta"} -> 
    {{2441208, 7060624, 6718927}, {"Galabiosylceramide (d18:1/12:0) [ C42 H79 \
N O13, db=66.51, overall=33.26, HMP ID=HMDB04831, KEGG ID= ]", ""}}, 
   {1489.1093, 15.274734, "Meta"} -> {{475131, 365112, 350190}, {"", ""}}, 
   {719.5459, 15.309272, "Meta"} -> {{1, 1, 1}, {"GPEtn(20:0/14:0)[U] [ C39 \
H78 N O8 P, db=86.95, overall=43.48, Lipid ID=LMGP02010177, KEGG ID= ]", 
      ""}}, {1571.0496, 15.31023, "Meta"} -> {{75650, 1, 45207}, {"", ""}}, 
   {725.5362, 15.288499, "Meta"} -> {{62509, 61899, 50768}, {"", ""}}, 
   {873.5031, 15.313261, "Meta"} -> {{59745, 50899, 51036}, {"", ""}}, 
   {756.6148, 15.312764, "Meta"} -> {{247385, 200844, 213411}, {"", ""}}, 
   {1547.1289, 15.317959, "Meta"} -> {{159523, 137392, 138880}, {"", ""}}, 
   {1573.1439, 15.344415, "Meta"} -> {{239721, 1264100, 680373}, {"", ""}}, 
   {1549.1458, 15.37693, "Meta"} -> {{1737512, 1, 1523092}, {"", ""}}, 
   {782.6284, 15.348928, "Meta"} -> {{106263, 96453, 110564}, {"", ""}}, 
   {952.5369, 15.360694, "Meta"} -> {{43844, 29600, 27680}, {"", ""}}, 
   {1525.1418, 15.393956, "Meta"} -> {{2321695, 1, 712491}, {"", ""}}, 
   {1491.1252, 15.387623, "Meta"} -> {{57174, 42845, 45086}, {"", ""}}, 
   {775.5518, 15.381926, "Meta"} -> {{90567, 68737, 70422}, {"", ""}}, 
   {875.5185, 15.418427, "Meta"} -> {{46377, 35214, 34534}, {"", ""}}, 
   {1595.19, 15.493964, "Meta"} -> {{1, 1926562, 1}, {"", ""}}, 
   {1579.1923, 15.52975, "Meta"} -> {{707021, 1, 844415}, {"", ""}}, 
   {954.5526, 15.542758, "Meta"} -> {{219351, 188732, 149670}, {"", ""}}, 
   {1557.2059, 15.597347, "Meta"} -> {{411837, 413102, 449744}, {"", ""}}, 
   {909.5775, 15.618968, "Meta"} -> {{204409, 180579, 153876}, {"", ""}}, 
   {1573.2028, 15.661559, "Meta"} -> {{1, 2956109, 2881502}, {"", ""}}, 
   {1559.2216, 15.669201, "Meta"} -> {{255462, 356997, 437695}, {"", ""}}, 
   {602.5269, 15.669942, "Meta"} -> {{65827, 82274, 84700}, 
     {"1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol [ \
C39 H70 O4, db=63.29, overall=31.64, Lipid ID=, KEGG ID= ]", ""}}, 
   {843.6118, 15.722835, "Meta"} -> {{743243, 688592, 723231}, {"", ""}}, 
   {834.6468, 15.719202, "Meta"} -> {{24257, 36385, 47608}, {"", ""}}, 
   {621.6059, 15.754334, "Meta"} -> {{30009, 30154, 38029}, 
     {"Ceramide (d18:1/22:0) [ C40 H79 N O3, db=87.19, overall=43.60, HMP \
ID=HMDB04952, KEGG ID= ]", ""}}, {838.6273, 15.792639, "Meta"} -> 
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   {656.5704, 15.817416, "Meta"} -> {{400919, 400413, 318844}, {"", ""}}, 
   {582.4434, 15.824362, "Meta"} -> {{57067, 53205, 64771}, 
     {"Spheroidenone [ C41 H58 O2, db=89.48, overall=44.74, Lipid \
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    {{107659, 122056, 122840}, {"", ""}}, {639.5801, 15.833317, "Meta"} -> 
    {{215028, 228204, 238731}, {"", ""}}, {635.6218, 15.840301, "Meta"} -> 
    {{67123, 59542, 70979}, {"Tricosanamide [ C41 H81 N O3, db=95.86, \
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   {747.6132, 15.858359, "Meta"} -> {{148668, 164776, 209085}, {"", ""}}, 
   {564.3964, 15.855876, "Meta"} -> {{29252, 29860, 29573}, 
     {"Alloxanthin/ Tetradehydrozeaxanthin / (Cynthiaxanthin)/ \
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    {{1715852, 1, 1168746}, {"", ""}}, {840.7075, 15.923631, "Meta"} -> 
    {{222324, 126124, 195425}, {"", ""}}, {1018.6208, 15.944415, "Meta"} -> 
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    {{203021, 196528, 243949}, {"", ""}}, {624.5694, 16.028141, "Meta"} -> 
    {{8305131, 1355050, 802079}, {"1-hexadecanoyl-2-eicosanoyl-sn-glycerol [ \
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   {684.6018, 16.037434, "Meta"} -> {{813733, 847294, 629261}, {"", ""}}, 
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   {674.5822, 16.300085, "Meta"} -> {{138681, 171848, 113723}, 
     {"1-(9Z,12Z,15Z-octadecatrienoyl)-2-docosanoyl-sn-glycerol [ C43 H78 O5, \
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   {669.6272, 16.306915, "Meta"} -> {{205524, 146769, 82028}, {"", ""}}, 
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   {294.0586, 0.8043199, "Meta"} -> {{86130, 1, 1}, 
     {"2-Butanone, 4-[6-(sulfooxy)-2-naphthalenyl]- [ C14 H14 O5 S, db=75.51, \
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   {281.1835, 0.9314584, "Meta"} -> {{74208, 88536, 75612}, {"", ""}}, 
   {398.103, 10.056501, "Meta"} -> {{1, 1, 1}, {"7-Deoxyadriamycinone [ C21 \
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      "38554-25-5"}}, {316.1655, 12.127219, "Meta"} -> 
    {{18770, 22906, 17515}, {"Gibberellin A9 [ C19 H24 O4, db=70.57, \
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   {575.2531, 12.914229, "Meta"} -> {{126590, 105231, 1}, {"", ""}}, 
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   {1054.6296, 13.4031925, "Meta"} -> {{210331, 203043, 245929}, {"", ""}}, 
   {354.2764, 13.447666, "Meta"} -> {{202946, 154927, 1}, 
     {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 O4, db=81.00, \
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    {{1, 29072, 28255}, {"3alpha-Hydroxy-1,7-dioxo-5beta-cholan-24-oic Acid [ \
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   {393.345, 13.526668, "Meta"} -> {{45965, 33482, 1}, {"", ""}}, 
   {924.666, 13.533161, "Meta"} -> {{154867, 122397, 1}, {"", ""}}, 
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   {380.2015, 14.26752, "Meta"} -> {{12817, 1, 23223}, 
     {"fludrocortisone [ C21 H29 F O5, db=74.03, overall=37.01, KEGG \
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    {{61629, 1, 1}, {"", ""}}, {356.3763, 14.378928, "Meta"} -> 
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    {{1, 36216, 36687}, {"Cinnarizine [ C26 H28 N2, db=69.13, overall=34.57, \
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    {{82008, 122343, 116384}, {"", ""}}, {647.4032, 14.609459, "Meta"} -> 
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    {{172810, 198760, 319491}, {"", ""}}, {545.3454, 13.662582, "Meta"} -> 
    {{2530511, 2392087, 2849621}, {"", ""}}, {688.2758, 13.875841, "Meta"} -> 
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    {{52661, 40218, 37121}, {"", ""}}, {467.2173, 13.542123, "Meta"} -> 
    {{35460, 27849, 26810}, {"Levobunolol glucuronide [ C23 H33 N O9, \
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   {1498.9567, 13.811957, "Meta"} -> {{58591, 79889, 123174}, {"", ""}}, 
   {356.2327, 13.884462, "Meta"} -> {{37889, 1, 14650}, 
     {"Estradiol valerate [ C23 H32 O3, db=46.24, overall=23.12, Lipid \
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    {{30282, 32423, 23475}, {"2,4,6-trimethyl-2,15-tetracosadienoic acid [ \
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   {422.3396, 14.760127, "Meta"} -> {{646135, 1, 178970}, {"", ""}}|>|>
