Data for ST001781
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 |
|---|---|---|---|---|---|---|
| 10-HDA | 16963318.78 | 22577808.55 | 8305615.63 | 8316522.93 | 9090192.55 | |
| 10(S)-HPODE | 11567676.75 | 141617239.59 | 6790823.73 | 43327055.69 | 16161339.04 | |
| 11,12-Epoxyeicosatrienoic acid | 970240.12 | 3595142.39 | 44888434.54 | 3232480.82 | 3704845.71 | |
| 11-Aminoundecanoic acid | 18907095.96 | 18066212.59 | 16697111.09 | 18668735.30 | 17215446.95 | |
| 11-nor-9-carboxy-Delta(9)-tetrahydrocannabinol | 6669877.08 | 2126432.48 | 2886556.38 | 706134.90 | 4613221.54 | |
| 1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine | 13225232.01 | 20450139.05 | 15489280.96 | 21980128.38 | 20023836.92 | |
| 12-Hydroxydodecanoic acid | 1674579.46 | 17078963.58 | 2522299.18 | 11132668.78 | 3112791.77 | |
| 12-Hydroxystearic acid | 1385497.54 | 3681374.09 | 3231844.23 | 22813146.76 | 3002934.66 | |
| 13-HODE | 12744868.94 | 22817739.49 | 14832442.98 | 23292395.62 | 20637778.03 | |
| 1,5-Anhydrosorbitol | 87434311.99 | 88060635.46 | 83075163.46 | 91031306.49 | 102588632.86 | |
| 15-HETE | 402868.31 | 3182678.14 | 3449482.11 | 3427519.87 | 833269.87 | |
| 19,20-DiHDPA | 2275858.38 | 14798366.61 | 1844802.91 | 7037392.46 | 4043978.55 | |
| 1-Arachidonoyl-sn-glycero-3-phosphocholine | 3967229612.92 | 5384672692.33 | 3213508936.08 | 2664152781.67 | 4657279301.25 | |
| 1-Hexadecanoyl-sn-glycero-3-phosphoethanolamine | 454671005.24 | 559956957.42 | 462203838.85 | 711526194.98 | 457486265.98 | |
| 1-Methylhistamine | 3987450.29 | 3627488.22 | 12983458.46 | 12635741.98 | 12439925.92 | |
| 1-Octadecanoyl-sn-glycero-3-phosphoethanolamine | 2805471817.83 | 2852428036.33 | 2755343324.67 | 2998623786.67 | 2970968790.58 | |
| 1-Phenyl-1-pentanone | 10223536.17 | 22467847.53 | 17458621.42 | 12891960.98 | 12228607.31 | |
| 2,2^-Iminodipropanol | 224700938.93 | 72854719.19 | 221299179.90 | 86600640.19 | 190799115.33 | |
| 235BBF3K97 | 8855089.66 | 11509406.73 | 10525241.17 | 14831033.55 | 15053081.40 | |
| 2,4,6-Octatriyn-1-ol | 303104703.06 | 446369794.83 | 285743935.22 | 353980031.42 | 402611514.99 | |
| 2-((4-Nitrophenoxy)methyl)oxirane | 1282899.95 | 2350840.03 | 1196966.85 | 2372962.13 | 5460399.18 | |
| 2,5-Furandicarboxylic acid | 5541040.10 | 27680363.36 | 13055072.71 | 21755748.61 | 28174076.76 | |
| 2,6-Di-tert-butyl-1,4-benzenediol | 1751844.76 | 6602713.35 | 1754861.02 | 2271530.25 | 1610211.62 | |
| 2,7-Oxepanedione | 787748.85 | 1138825.33 | 539067.98 | 1281979.57 | 646190.47 | |
| 2-(acetylamino)-3-(1H-indol-3-yl)propanoic acid | 30112600.63 | 51453039.54 | 23924979.25 | 30212170.66 | 105822952.53 | |
| 2-Aminonaphthalene | 37261931.88 | 29836162.66 | 43714771.45 | 25265430.04 | 45213325.49 | |
| 2-Deoxyhexopyranose | 262459.38 | 346582.36 | 323773.14 | 723791.78 | 305513.86 | |
| 2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid | 19110352.14 | 73342208.19 | 27103422.01 | 68333792.31 | 95373304.75 | |
| 2-Hydroxycaproic acid | 24506377.98 | 43752617.55 | 40718628.82 | 40833641.62 | 49361739.29 | |
| 2-Hydroxycinnamic acid | 2156347898.63 | 2826510370.58 | 1859328782.51 | 2269935091.50 | 2636818464.42 | |
| 2-Hydroxyvaleric acid | 42684165.59 | 68190332.49 | 89124739.14 | 73840882.21 | 68208924.59 | |
| 2-Ketobutyric acid | 79437241.17 | 110021816.41 | 107537404.07 | 116087037.12 | 106674017.73 | |
| 2-Methyl-5-nitroaniline | 58668381.55 | 203852116.60 | 67949071.90 | 159298134.57 | 131723237.22 | |
| 2-Methylcitric acid | 3791211.85 | 9638607.63 | 4543104.21 | 7345369.33 | 7692199.29 | |
| 2-Methylthiazolidine | 15236099.56 | 24107971.55 | 17781192.08 | 17321337.27 | 23854874.82 | |
| 2-Octanamidoacetic acid | 11166414.74 | 24421983.15 | 9268194.46 | 23208232.20 | 15006494.32 | |
| 2-Oleoyl-sn-glycero-3-phosphocholine | 5686148187.17 | 5311892235.33 | 4264179939.75 | 3551198290.50 | 5327381077.50 | |
| (2S)-2-[(2-Methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropa... | 27196627.53 | 171601316.09 | 46970418.52 | 115908503.86 | 40317751.27 | |
| 2-tert-Butyl-1,4-benzenediol | 2327480.17 | 6462636.35 | 2885666.71 | 7124559.91 | 2915629.15 | |
| 3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-... | 6113362.94 | 2719946.03 | 1576507.60 | 1729997.17 | 4283384.89 | |
| 3,4-Dihydroxybenzenesulfonic acid | 79811029.58 | 159776076.59 | 75887716.06 | 115272169.82 | 217252728.40 | |
| 3-(4-Methyl-3-pentenyl)thiophene | 370611221.68 | 483508776.66 | 298732037.67 | 428222488.36 | 445579031.51 | |
| 3,4-Methyleneazelaic acid | 473682.04 | 2543552.16 | 429758.47 | 1399727.39 | 659507.39 | |
| 3, 5-Tetradecadiencarnitine | 5112279.84 | 11651962.73 | 4979266.74 | 16507662.09 | 6008360.74 | |
| 3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl | 9307859.00 | 15892179.34 | 10832717.66 | 15349481.23 | 35879770.18 | |
| 3-Aminosalicylic acid | 8291013.19 | 32370205.24 | 11356834.59 | 26687522.46 | 20075903.42 | |
| 3-Dehydroquinic acid | 3018283.34 | 6705989.51 | 2802083.43 | 7984807.20 | 5244016.01 | |
| 3-Hydroxybenzoic acid | 7683181.12 | 3829356.46 | 4926790.83 | 3388476.91 | 5666258.14 | |
| 3-Hydroxybutyric acid | 143690470.98 | 333315153.87 | 87407898.65 | 266668023.06 | 63900087.23 | |
| 3-Hydroxyhexadecadienoylcarnitine | 551361.31 | 4788765.17 | 504000.69 | 3904864.68 | 637056.90 | |
| 3-Hydroxyhexadecanoylcarnitine | 2415663.48 | 19931560.61 | 1411122.90 | 19710719.03 | 1793408.73 | |
| 3-Hydroxysebacic acid | 586995.49 | 13346832.13 | 452408.45 | 3406432.74 | 757331.85 | |
| 3-Hydroxysuberic acid | 544382.50 | 2472900.99 | 320553.13 | 1627944.79 | 761363.24 | |
| 3-Hydroxytetradecanedioic acid | 9788276.63 | 2403071.34 | 1613605.90 | 1415815.13 | 2572708.34 | |
| 3-Hydroxytetradecanoyl carnitine | 1185669.78 | 14752034.35 | 658638.70 | 12915352.12 | 878576.45 | |
| 3-hydroxytridecanoic acid | 872536.38 | 9838346.51 | 499615.86 | 3792561.19 | 421282.86 | |
| 3-Mercaptohexyl butyrate | 35429015.38 | 35696866.69 | 28247307.08 | 23252300.82 | 42091675.17 | |
| 3-Methyladipic acid | 6833871.02 | 10529436.72 | 3490281.33 | 8390373.57 | 8722034.89 | |
| 3-Methylglutarylcarnitine | 939687.78 | 1937980.68 | 1085802.67 | 5467549.02 | 3019965.23 | |
| 3-Methylindole | 26925980.42 | 21284810.86 | 30588606.93 | 18293650.47 | 31877736.33 | |
| 3-Methylsulfolene | 705172445.44 | 1034435315.39 | 738157434.27 | 772285497.52 | 1010908853.07 | |
| 3-oxo-C12-HSL | 598233.24 | 2109819.27 | 483165.16 | 1196573.49 | 827295.54 | |
| 3-oxopalmitic acid | 1369290.39 | 20937078.40 | 2047419.29 | 14578435.05 | 2974197.60 | |
| 3-Oxotetradecanoic acid | 12597066.47 | 225725746.37 | 9344407.99 | 105567868.71 | 13045891.27 | |
| 3-Pyridin-3-yl-2-thiophen-2-ylprop-2-enenitrile | 253124.74 | 330544.65 | 347636.12 | 348605.76 | 305261.96 | |
| 3-Tert-Butyladipic acid | 11609737.04 | 30430070.00 | 11021535.29 | 28726569.21 | 11677052.15 | |
| 4-Aminobenzoic acid | 19686124.01 | 31981462.67 | 29890229.41 | 45449827.50 | 30305109.16 | |
| 4-Guanidinobutanoic acid | 16504551.71 | 15274520.94 | 16499720.98 | 11777167.19 | 30735592.83 | |
| 4-Hydroxy-5-(3^,4^-dihydroxyphenyl)-valeric acid-O-glucuroni... | 653388.50 | 2692208.98 | 2556465.47 | 1957714.39 | 4353061.92 | |
| 4-Hydroxybenzenesulfonic acid | 173805851.52 | 393707231.80 | 157400159.15 | 270515548.84 | 265522394.67 | |
| 4-Hydroxycinnamic acid | 855615.39 | 2828014.12 | 3009384.12 | 2137464.37 | 4845523.06 | |
| 4-Hydroxynonenal | 423923.76 | 1814781.03 | 426522.50 | 1714626.06 | 1070548.86 | |
| 4-Indolecarbaldehyde | 5627519.65 | 10880307.11 | 13281984.40 | 14727856.42 | 21173518.31 | |
| 4-methoxy-3-(sulfooxy)benzoic acid | 6591514.37 | 19008896.72 | 7680517.17 | 13998616.74 | 31789791.49 | |
| 4-Methylene-2-oxoglutarate | 251969.26 | 235293.86 | 276081.25 | 340975.82 | 250186.21 | |
| 4^-N-desmethylolanzapine | 18354016.86 | 18270715.39 | 15735622.67 | 18960538.10 | 19686294.27 | |
| 4-Nitroaniline | 2498686.60 | 7795119.76 | 11002978.34 | 4797470.72 | 3349371.31 | |
| 4-(Trimethylammonio)butanoate | 48582667.43 | 63693884.93 | 54842008.46 | 31397337.77 | 85363607.88 | |
| 5-Hydroxy-2-furoic acid | 10867785.92 | 51357559.57 | 27420584.14 | 41832411.24 | 49789507.17 | |
| 5-Hydroxyindolepyruvate | 1526600.30 | 682983.89 | 1096062.85 | 4648332.73 | 4445890.17 | |
| 5-Hydroxy-L-tryptophan | 6149828.76 | 11093268.18 | 11652346.19 | 5816935.28 | 7798464.06 | |
| 5-Methylcytosine | 3657449.31 | 4959194.66 | 4142671.66 | 6693432.05 | 5130838.12 | |
| 5-Sulfosalicylic acid | 1873217.94 | 2935189.18 | 3673695.77 | 2641337.56 | 5145466.62 | |
| [6]-Gingerdione | 1333196.49 | 1817469.54 | 421009.02 | 966708.95 | 762673.60 | |
| 6-Hydroxyindoleacetic acid | 2389393.19 | 17092438.99 | 3320200.52 | 12605014.40 | 18897735.91 | |
| 6-Hydroxypentadecanedioic acid | 128597.67 | 820425.01 | 176694.55 | 1017789.41 | 811224.34 | |
| 6-Methoxyquinoline | 65557687.61 | 16469490.31 | 333456898.87 | 42830404.68 | 165112809.84 | |
| 6-Oxo-pipecolinic acid | 3959136.18 | 13217352.74 | 3010135.83 | 8641483.22 | 2277190.23 | |
| 7-Mercaptoheptanoylthreonine | 2158412.79 | 1497753.41 | 2192875.22 | 1070107.20 | 1058968.32 | |
| 8-hydroxy-deoxyguanosine | 9944851.06 | 371813.14 | 29895417.34 | 513110.10 | 6760950.52 | |
| 8-Hydroxyoctanoate | 2456468.12 | 5657150.02 | 1861445.95 | 2698661.95 | 3165517.75 | |
| 9-Decenoylcarnitine | 522813.04 | 1295489.41 | 770539.78 | 875377.37 | 1590933.52 | |
| (9S,10S)-9,10-dihydroxyoctadecanoate | 1452304.97 | 3234713.24 | 1684158.61 | 3325850.86 | 2180196.09 | |
| Acetaminophen | 44813563.96 | 93532893.58 | 56185339.63 | 80031977.84 | 72599442.22 | |
| Acetophenone | 6938201.30 | 9246130.64 | 6082692.69 | 7765144.20 | 9914826.62 | |
| Adenosine monophosphate | 2006304.70 | 4340955.64 | 119219709.70 | 18151796.32 | 20282608.70 | |
| Adipic acid | 2620854.75 | 3013221.86 | 2608108.49 | 6288240.26 | 16587628.12 | |
| Alantolactone | 707646.03 | 6119454.51 | 728943.39 | 1370685.87 | 821015.14 | |
| Alanylglutamine | 5353248.19 | 9244087.73 | 6584587.33 | 8766303.58 | 21870076.79 | |
| Allantoin | 28444770.03 | 63234148.91 | 53702147.12 | 96452059.50 | 72093069.37 | |
| Amidosulfonic acid | 2907240.86 | 13262670.64 | 8231249.05 | 9314507.13 | 15276378.04 | |
| Aminoadipic acid | 6651168.20 | 19966291.55 | 6056742.99 | 22440627.76 | 12946176.10 | |
| Apronal | 936790.17 | 1171170.64 | 1563524.96 | 4007435.34 | 2134674.96 | |
| Arabinosylhypoxanthine | 53348888.38 | 1452032.27 | 254834746.31 | 17709842.84 | 103368289.89 | |
| Aspartyl-L-proline | 3251662.04 | 2166022.04 | 3894359.34 | 9643548.09 | 5257875.13 | |
| Aspartylphenylalanine | 561802.49 | 1396101.22 | 843967.30 | 2600868.64 | 2949296.32 | |
| Asymmetric dimethylarginine | 8600953.23 | 14540224.43 | 12260053.85 | 24293444.92 | 13948377.62 | |
| Avocadene 1-acetate | 675330.81 | 3516083.30 | 439163.95 | 993721.60 | 456228.56 | |
| Azelaic acid | 52282636.36 | 67971318.95 | 28993348.07 | 28440848.06 | 38852436.14 | |
| Bafetinib | 71770466.28 | 91427992.56 | 87201936.10 | 77563515.58 | 95225152.23 | |
| Baicalin | 5140478.10 | 2128640.67 | 3443418.89 | 1984119.81 | 4933098.15 | |
| Bardoxolone | 2908058.40 | 6144206.30 | 2846245.59 | 3173174.56 | 5002187.59 | |
| Benzaldehyde | 11447861.39 | 17687518.15 | 9527323.83 | 14229484.17 | 14402419.40 | |
| Benzoic acid | 100388906.07 | 140967490.91 | 91712084.43 | 111452758.02 | 127862907.99 | |
| Betaine | 1748139933.67 | 2509363677.67 | 1539739600.68 | 1766496038.43 | 1695378979.00 | |
| Boc-Asn | 5697689.33 | 5763774.86 | 4086359.50 | 8966490.43 | 8031877.01 | |
| Butabarbital | 5460926.99 | 14069270.72 | 8614433.28 | 57590190.43 | 24875568.30 | |
| Butopyronoxyl | 1334744.17 | 12694799.27 | 1463797.83 | 4717517.79 | 2118312.17 | |
| Butyl lactate | 2149144.61 | 1109244.15 | 1696661.85 | 1074489.05 | 1416738.43 | |
| (+)-Calycanthine | 16032859.12 | 19170028.90 | 34875101.95 | 52834752.68 | 38296683.47 | |
| Cannabidiolic acid | 269084.66 | 16248015.84 | 261749.21 | 3317190.43 | 269165.11 | |
| Cerulenin | 857546.14 | 2011708.49 | 78890.67 | 2509044.83 | 1087894.34 | |
| Chlorpromazine | 2094944.61 | 872455536.92 | 14758558.47 | 8049749831.33 | 5084834.89 | |
| Cholic acid | 43944069.11 | 26977566.58 | 5459374.85 | 14232427.62 | 45437691.33 | |
| Cinnamoylglycine | 29453505.72 | 82061642.75 | 41788203.96 | 71510410.75 | 128498549.24 | |
| cis-3-Hexenyl phenylacetate | 753540.13 | 5363777.19 | 645708.16 | 1646384.62 | 771169.19 | |
| cis-4-Decenedioic acid | 4015714.23 | 21775935.71 | 3550276.00 | 13384099.22 | 7107805.90 | |
| Citric acid | 435246587.01 | 1427135947.50 | 638995407.44 | 1407243924.79 | 1807194959.04 | |
| Citrinin | 13256782.44 | 11257248.59 | 10508984.54 | 11281510.29 | 11203602.95 | |
| Coumarin | 42620992.13 | 65425151.17 | 40640176.82 | 52719385.75 | 63461972.37 | |
| Creatine | 295009815.68 | 361431505.69 | 515760128.18 | 494241361.40 | 416871254.10 | |
| Creatinine | 39241737.95 | 51366426.19 | 81674369.14 | 84506777.92 | 64490787.82 | |
| Cyclohexanecarboxylic acid | 931832.80 | 3447090.72 | 565786.07 | 2773428.68 | 909666.97 | |
| Cycloserine | 2588173.60 | 11468892.49 | 6924955.36 | 8967415.80 | 13337612.68 | |
| Cytidine | 6230246.99 | 6477577.44 | 4249292.60 | 11052999.01 | 10242951.35 | |
| Cytosine | 2692913.75 | 3228023.34 | 2620506.81 | 5413591.37 | 3921601.41 | |
| D-1,5-Anhydrofructose | 108924529.04 | 141082129.65 | 198283881.49 | 197265014.02 | 170269825.13 | |
| D-2-Hydroxyglutaric acid | 7424970.63 | 6084553.67 | 8970869.66 | 11640172.47 | 21065023.78 | |
| Daidzein | 2342029.46 | 659252.13 | 2282389.42 | 1197907.15 | 2695239.12 | |
| DEHYDROASCORBIC ACID | 8341828.19 | 28905001.24 | 12975046.24 | 25302050.72 | 31867379.31 | |
| Demonomethylchlorpromazine | 303503.96 | 39581175.20 | 194519.04 | 990559269.75 | 202533.91 | |
| Dethiobiotin | 1504826.20 | 2181582.63 | 1514563.72 | 10495928.73 | 1568342.36 | |
| Diacetyl | 3310063.32 | 4409211.81 | 4007568.69 | 5113382.66 | 5845884.24 | |
| Dibutyl malate | 1081901.54 | 12545975.58 | 667182.77 | 2287929.42 | 1218556.59 | |
| Dibutyl phthalate | 614551.48 | 1037881.93 | 365983.54 | 1652905.76 | 1276450.85 | |
| DL-Arginine | 316900422.23 | 436629819.27 | 460431741.24 | 371471587.12 | 390804868.83 | |
| DL-Glutamate | 128527551.22 | 116476065.51 | 86323518.16 | 119582197.14 | 149441792.93 | |
| DL-Glutamine | 348905743.02 | 363349099.02 | 241336628.56 | 402437272.69 | 463288554.63 | |
| DL-Ornithine | 49409463.26 | 40333824.78 | 36097661.77 | 37505887.04 | 41387637.91 | |
| DL-TYROSINE | 2145524431.62 | 2784178602.92 | 1840100313.68 | 2234987157.83 | 2632425586.00 | |
| D-Malic acid | 195577831.69 | 261978365.56 | 171821550.88 | 589800389.83 | 848559721.53 | |
| D-Mannose | 3253870567.50 | 4821258172.25 | 5383086573.83 | 4610278551.25 | 4447039514.00 | |
| Docosahexaenoic acid | 2365950.04 | 10330091.55 | 8657836.80 | 14425946.87 | 5157300.74 | |
| Dodecanedioic acid | 6485507.39 | 32420586.88 | 3854367.81 | 17865922.07 | 22747892.40 | |
| D-Phenyllactic acid | 7113605.29 | 14028767.76 | 15181371.23 | 14801857.75 | 27152515.62 | |
| D-Proline | 214375933.09 | 183760418.50 | 180200507.02 | 175058286.28 | 235921080.74 | |
| Drostanolone propionate | 4249503.90 | 9509819.69 | 1451941.88 | 5462894.29 | 4984259.46 | |
| D-Tryptophan | 4538368575.25 | 3492409963.58 | 4851674542.83 | 2899840069.00 | 5221639520.17 | |
| Ecgonine | 1546035.30 | 4882800.05 | 1491940.40 | 5732983.41 | 2778611.22 | |
| Ectoine | 7647950.83 | 28735073.62 | 8283941.21 | 8638925.80 | 47784168.22 | |
| Eicosapentaenoic acid | 1942165.54 | 4095751.36 | 49479922.20 | 4024337.39 | 2816087.17 | |
| Equol | 9329643.37 | 9470342.63 | 8681856.57 | 10222142.18 | 9501805.94 | |
| Ethyl 4-ethoxybenzoate | 11685991.58 | 30179733.84 | 23206937.72 | 20555269.89 | 20330505.23 | |
| Ethyl glucuronide | 59935685.84 | 59857275.71 | 51657178.51 | 63487940.70 | 62451766.26 | |
| Ferulic acid 4-O-sulfate | 9308803.67 | 14840765.21 | 8785705.73 | 9182300.59 | 44503791.86 | |
| Fumaric acid | 9515977.37 | 7712574.51 | 6721012.70 | 14997304.71 | 29963355.17 | |
| (±)-Furaneol | 9340437.42 | 6626381.28 | 6744150.58 | 7489973.66 | 4136422.08 | |
| Furcatin | 20845393.48 | 55054634.92 | 42509818.56 | 57707653.60 | 34876150.43 | |
| Furfural | 21957261.48 | 32563289.98 | 34168061.27 | 44659885.07 | 32730912.52 | |
| Gaboxadol | 2572516.90 | 2951016.10 | 2738859.19 | 9951321.41 | 4598375.86 | |
| Galactitol | 1709232.84 | 3788184.54 | 3202259.37 | 3011928.12 | 4196833.86 | |
| gamma-Glu-gln | 10234998.24 | 9644459.33 | 7195669.79 | 10420985.85 | 13637682.69 | |
| Gibberellin A53 | 81818133.86 | 8240531.92 | 31361984.76 | 6726835.83 | 24875058.05 | |
| Ginkgoic acid | 223277.81 | 1384716.96 | 454514.15 | 1747401.78 | 605222.15 | |
| Gluconic acid | 46391815.14 | 148898470.04 | 89165307.57 | 264125330.26 | 124095055.63 | |
| Glu-Gly | 1757521.85 | 1862132.76 | 1556206.59 | 1766684.09 | 2172977.89 | |
| Glutamylmethionine | 38901933.07 | 33319882.09 | 30104848.10 | 30666316.34 | 56921131.05 | |
| Glycerol | 3162862.13 | 3971209.49 | 2949186.92 | 6336539.14 | 5018350.49 | |
| Glycerol 3-phosphate | 24327199.11 | 27894069.28 | 21119295.99 | 38962094.75 | 46130262.32 | |
| Glycerophosphocholine | 31639457.86 | 49701060.23 | 62894985.00 | 26993653.93 | 32712764.01 | |
| Glycocholic acid | 7144810.93 | 650316.41 | 575785.52 | 623199.03 | 743498.74 | |
| Glycyl-L-leucine | 3732506.28 | 6335922.53 | 4712725.46 | 10211900.96 | 10129432.60 | |
| Glycyl-Lysine | 8988518.87 | 25133406.11 | 7625936.34 | 44672777.67 | 16456289.37 | |
| Glycylproline | 2198715.51 | 1994677.47 | 1891388.74 | 3450470.76 | 3054307.77 | |
| Glycyl-Threonine | 882017.26 | 1766453.74 | 977124.18 | 3028576.57 | 1745755.90 | |
| Guaifenesin | 746132.41 | 4651651.81 | 627642.36 | 2791911.93 | 870704.40 | |
| Guanine | 3823764.36 | 402205.39 | 12124644.14 | 538925.17 | 3528279.46 | |
| Heptanoylcarnitine | 577227.24 | 960748.59 | 231152.43 | 739758.12 | 8703666.99 | |
| Hexadecanedioic acid | 5600208.10 | 77394864.57 | 2361170.66 | 46373018.62 | 7198104.72 | |
| Hexadecanedioic acid mono-L-carnitine ester | 396011.12 | 1907381.00 | 239936.02 | 2143840.87 | 470377.21 | |
| Hexahomomethionine | 219831.02 | 2243096.89 | 318730.57 | 2071351.91 | 354795.27 | |
| Hexanamide | 4010688.92 | 13331419.72 | 11230853.34 | 38743781.57 | 8785593.64 | |
| Hexanoylcarnitine | 23843224.47 | 22974419.76 | 9036057.46 | 14738339.09 | 89904896.64 | |
| Hexanoylglycine | 91668388.48 | 191819801.40 | 81735741.10 | 221618079.61 | 169659729.38 | |
| Hippuric acid | 83898994.88 | 199448261.26 | 103390204.70 | 96381962.68 | 358380299.11 | |
| Homocitrulline | 2311876.13 | 2610985.41 | 2518174.50 | 4031831.56 | 2971053.08 | |
| Homovanillic acid | 1565931.93 | 4800159.86 | 4977351.84 | 3696686.63 | 8399407.19 | |
| Hydroxyacetylaminofluorene | 4375614.91 | 3682132.13 | 3207330.36 | 2425272.54 | 4800971.46 | |
| (Hydroxyethyl)methacrylate | 176312594.23 | 151395468.85 | 254091312.35 | 172421372.73 | 229720680.57 | |
| Hypoxanthine | 68034483.05 | 2810516.27 | 277519336.55 | 24249890.91 | 177162229.06 | |
| Imidazoleacetic acid | 9037869.65 | 14709096.77 | 17444756.57 | 21781671.32 | 20767127.06 | |
| Indole | 77374494.36 | 63453403.66 | 87987605.60 | 49752120.93 | 91604404.28 | |
| Indole-3-acetic acid | 2059936.15 | 2998683.25 | 2369668.35 | 2920567.98 | 3717438.90 | |
| Indole-3-acrylic acid | 4454901193.75 | 3422172691.08 | 4725643963.08 | 2848455139.67 | 5104110931.92 | |
| Indolelactic acid | 52721512.98 | 97764053.37 | 75490909.63 | 138900435.13 | 192833603.12 | |
| Inosinic acid | 470144.85 | 499673.58 | 27418124.82 | 538814.20 | 690631.60 | |
| Inulicin | 2847748.31 | 918607.81 | 787672.36 | 1106790.59 | 1472079.16 | |
| Isobutyrylglycine | 55918697.25 | 85173230.52 | 15631508.11 | 107453606.76 | 174234472.52 | |
| Isotetrandrine | 12177118.28 | 21297677.74 | 17918489.92 | 23154522.85 | 23452805.86 | |
| Isovalerylglycine | 29873023.56 | 34003518.20 | 11936688.88 | 48723578.76 | 72778079.35 | |
| Juliflorine | 1483617.19 | 2007799.80 | 3174377.60 | 1895680.16 | 1861903.78 | |
| Kynurenine | 42880977.54 | 64032595.08 | 49594631.93 | 54977337.47 | 60290828.47 | |
| L-Acetylcarnitine | 1004557844.09 | 1140516270.50 | 888982812.27 | 591221179.23 | 986833978.40 | |
| L-Alanine | 52005132.18 | 61404901.85 | 38841846.27 | 69295388.48 | 104697241.61 | |
| L-Asparagine | 9464881.90 | 11484446.49 | 9833640.63 | 22589937.82 | 26633686.21 | |
| Lauroyl diethanolamide | 399262.04 | 2278095.29 | 180906.75 | 1657430.37 | 583744.94 | |
| Leucyl-Glutamate | 93242283.42 | 101313893.96 | 102276556.64 | 104674912.31 | 139067727.55 | |
| Leucylproline | 19849367.96 | 37155119.03 | 52802879.97 | 64609003.98 | 60660198.70 | |
| Leukotriene B4 | 887669.91 | 6012680.54 | 415900.37 | 1262750.88 | 984072.29 | |
| Levocarnitine | 277628455.80 | 368988033.18 | 346996327.76 | 217978701.60 | 365290460.80 | |
| Lexibulin | 1326466.31 | 1519057.94 | 1123670.03 | 1192466.54 | 1404202.49 | |
| L-Histidine | 101406153.29 | 133979098.48 | 91781981.37 | 156229289.94 | 131446213.47 | |
| Linolenelaidic acid | 1775045.01 | 1812204.42 | 1433825.26 | 1563013.64 | 1585394.69 | |
| Linoleyl carnitine | 21280674.85 | 163765867.33 | 23771827.83 | 105684822.32 | 41268103.41 | |
| L-Isoleucine | 7076227799.94 | 9899187375.59 | 4425653105.38 | 7192152172.50 | 5408888937.77 | |
| L-Lactic acid | 1134860706.78 | 1585592643.97 | 1198005965.15 | 1757652124.28 | 2736926072.83 | |
| L-Leucine | 984164.57 | 2710737.41 | 1035797.19 | 2107825.79 | 3172365.64 | |
| L-Methionine | 709826063.64 | 1039621743.45 | 743683967.60 | 776873056.46 | 1014457614.34 | |
| L-Norleucine | 7416721648.50 | 11714132712.58 | 5506479897.83 | 7948720718.83 | 8386580568.17 | |
| Lotaustralin | 1622844.76 | 6601243.98 | 6829297.28 | 9815992.53 | 7683326.61 | |
| L-Palmitoylcarnitine | 66872562.42 | 285661846.28 | 51574911.71 | 275281759.00 | 82432924.08 | |
| L-Prolinamide | 205412640.47 | 388635784.32 | 217142594.41 | 313652642.69 | 294042108.01 | |
| L-Serine | 130166508.44 | 158591215.56 | 93597154.69 | 163966434.28 | 206798049.23 | |
| L-Threonine | 20627950.82 | 31815134.96 | 26402664.87 | 25039738.92 | 23890186.53 | |
| L-Valine | 759931271.42 | 1194684757.61 | 782604307.90 | 934104969.72 | 1031464430.53 | |
| Ly-290411 | 269479.37 | 290158.34 | 328114.64 | 738089.99 | 308985.10 | |
| Lysine | 262870325.12 | 540213095.33 | 300883386.66 | 427129903.13 | 398907370.96 | |
| LysoPC(16:1(9Z)/0:0) | 506543580.79 | 589010514.41 | 366221112.65 | 419747913.13 | 568011612.56 | |
| Malic acid | 148945097.59 | 218674415.10 | 81933092.32 | 395321131.53 | 710863033.83 | |
| methadone-d9 | 216669941.85 | 266609186.85 | 299181001.15 | 259491455.22 | 249775139.52 | |
| Metharbital | 4360944.21 | 4768211.88 | 4226983.52 | 7004586.74 | 9426990.95 | |
| Methohexital | 5063281.82 | 2673397.37 | 4573409.68 | 7611908.17 | 5330190.49 | |
| Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate | 786325.36 | 7877485.27 | 565020.30 | 4886535.49 | 710468.83 | |
| Methylsuccinic acid | 13007312.41 | 12976094.16 | 3596089.61 | 28983915.44 | 46785148.23 | |
| Mevalonic acid | 1037556.65 | 2621816.03 | 3212366.30 | 3796460.51 | 5261788.50 | |
| MG(0:0/20:4(5Z,8Z,11Z,14Z)/0:0) | 1612443.28 | 3251754.99 | 414183.35 | 1932114.97 | 1806746.56 | |
| Midodrine | 1134783.24 | 644539.27 | 1742191.92 | 2042341.99 | 1058436.87 | |
| Myristic acid | 254171.30 | 966203.43 | 162029.10 | 1433868.38 | 172664.56 | |
| N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole | 7841581.17 | 23259347.39 | 22140334.76 | 17020677.86 | 38862567.39 | |
| N1-Acetylspermidine | 3377880.21 | 3860810.23 | 3385779.66 | 18639721.41 | 6330392.86 | |
| N2-Acetylornithine | 7095816.30 | 9702743.90 | 8711302.07 | 8688169.31 | 9584706.48 | |
| N4-Acetylcytidine | 11030721.26 | 8998439.80 | 8008277.85 | 17942943.82 | 12556306.48 | |
| Nabilone | 36700319.05 | 29336192.56 | 5707667.05 | 15454437.50 | 48658060.86 | |
| N-Acetylglutamine | 4468677.64 | 15924460.30 | 4277360.91 | 16652899.00 | 14875304.02 | |
| N-Acetyl-L-aspartic acid | 4150061.84 | 9291152.45 | 4124572.93 | 7711544.04 | 13225359.05 | |
| N-Acetyl-L-glutamic acid | 8491239.29 | 6704490.99 | 8818597.41 | 12358600.12 | 23435367.92 | |
| N-Acetyl-L-methionine | 7771185.38 | 12679794.55 | 9625152.73 | 15469616.24 | 22446871.59 | |
| N-Acetyl-L-phenylalanine | 25489937.47 | 41539574.57 | 12985979.39 | 39873019.41 | 78039941.07 | |
| N-Acetyl-L-tyrosine | 5110806.35 | 32138133.15 | 4244043.84 | 14018397.63 | 12713236.53 | |
| N-Acetylvanilalanine | 947628.59 | 1866786.02 | 1389454.71 | 4427872.59 | 13898184.20 | |
| N-Formyl-L-methionine | 8258450.58 | 16716783.65 | 8235888.93 | 12364562.11 | 6891822.80 | |
| N-Gluconyl ethanolamine | 23912100.18 | 21789134.80 | 20193345.28 | 23274749.67 | 23831770.44 | |
| Niacinamide | 302219411.93 | 623360101.70 | 380195155.15 | 478304932.35 | 478946355.88 | |
| N-Lauroylglycine | 798889.46 | 1120180.93 | 579136.22 | 2044464.40 | 957518.44 | |
| N-methyl-L-glutamic Acid | 11549908.58 | 14020925.31 | 17086135.45 | 18118495.00 | 14986157.69 | |
| N-Methylmescaline | 2429261.46 | 9508112.26 | 3262134.57 | 7150829.77 | 4568613.21 | |
| N-Stearoyl tyrosine | 3937380.09 | 14781913.62 | 5171861.14 | 12153266.88 | 9524534.12 | |
| N-Undecanoylglycine | 50965789.53 | 34263190.40 | 35055864.69 | 33749510.98 | 37277069.66 | |
| O-heptadecanoylcarnitine | 1329734.58 | 3678771.11 | 989355.96 | 4448717.49 | 1141686.04 | |
| Olanzapine | 27484660.96 | 31564630.05 | 34212626.79 | 40933359.20 | 36633322.95 | |
| olivetolic acid | 173837.55 | 1465082.43 | 287542.24 | 620173.10 | 169217.45 | |
| o-Methoxyphenyl sulfate | 6616140.96 | 4671234.42 | 738869.38 | 1379222.60 | 6808411.18 | |
| Ophthalmic acid | 19702938.77 | 3459022.69 | 6419636.09 | 8004913.13 | 11919257.72 | |
| Oxidized glutathione | 417952038.43 | 480216222.28 | 263508937.60 | 571588043.58 | 782923169.80 | |
| Oxoglutaric acid | 15473412.92 | 5080583.53 | 11577057.34 | 18329729.27 | 37428611.48 | |
| Oxybuprocaine | 8152092.08 | 1120696.90 | 1511167.33 | 1983117.66 | 3592276.89 | |
| Palmitelaidic acid | 1754360.44 | 6650460.91 | 2799105.25 | 8543553.23 | 4361240.68 | |
| Palmitic acid | 495270.10 | 1777347.01 | 458381.06 | 1903220.71 | 609907.09 | |
| Pantothenic acid | 138694860.06 | 64213571.93 | 88271641.95 | 98423635.97 | 184383689.65 | |
| PD-128042 | 9921097.39 | 13489123.05 | 3507948.29 | 12000549.04 | 13211467.19 | |
| Pentadecanoylcarnitine | 1285028.72 | 4559577.61 | 806976.49 | 6656601.71 | 1249233.98 | |
| Pentahomomethionine | 1830457.86 | 8751238.01 | 1321847.90 | 17754675.88 | 3991191.84 | |
| Phe-glu | 45817812.88 | 36645511.94 | 46059829.31 | 47804281.02 | 59694958.16 | |
| Phenobarbital | 7620094.81 | 21558780.48 | 7843001.82 | 16509492.72 | 30083467.34 | |
| Phenotype 1 | - | - | - | - | - | |
| Phenotype 2 | - | - | - | - | - | |
| Phenylacetylglycine | 37151667.01 | 52679509.37 | 26736546.94 | 31811226.41 | 42489605.60 | |
| Phenylalanine | 4106565243.83 | 5289619793.92 | 3318272520.25 | 4805204743.25 | 4804488441.83 | |
| Phenylhydrazine | 5259556.61 | 4666898.52 | 14648827.15 | 14507315.52 | 14219093.16 | |
| Phosphoric acid | 314848568.03 | 727992436.72 | 189719539.41 | 813681865.62 | 646108505.40 | |
| Phytosphingosine | 309862.06 | 276456.29 | 342154.37 | 252365.01 | 367307.16 | |
| Pipazethate | 1110415.21 | 1066332.54 | 1102538.01 | 1085986.35 | 1010357.71 | |
| Pivagabine | 9470215.40 | 19159222.25 | 7906372.85 | 30774938.49 | 32212152.93 | |
| Platelet-activating factor | 14270926261.58 | 16461006370.92 | 12374791631.42 | 16998051940.25 | 16842967095.08 | |
| Porphobilinogen | 2502820.66 | 5633094.80 | 3288292.86 | 8069169.26 | 8176110.03 | |
| Prohydrojasmon | 4581614.83 | 23488401.33 | 6227799.37 | 6938554.68 | 5417436.96 | |
| Proline | 116920117.49 | 106397281.96 | 97079355.36 | 113754337.01 | 144221394.16 | |
| Promazine | 290176.58 | 3817086.93 | 351614.93 | 28722489.77 | 180566.47 | |
| Promazine 5-sulfoxide | 626885.76 | 1701774.77 | 401953.26 | 11409306.82 | 405867.31 | |
| Propionylcarnitine | 537320003.87 | 158172357.01 | 222533441.07 | 77183271.05 | 608234021.54 | |
| Propylparaben | 227727.09 | 682716.21 | 231856.91 | 511241.76 | 319976.69 | |
| Purine | 7268261.45 | 9226386.47 | 8843334.32 | 9230775.16 | 8046679.66 | |
| Pyridoxal 5^-phosphate | 2782750.73 | 6477804.89 | 1879252.16 | 6723279.49 | 14218403.18 | |
| Pyrogallol | 1270095.34 | 1822898.78 | 929466.77 | 1979823.42 | 797439.48 | |
| Pyrogallol-2-O-glucuronide | 12893571.70 | 5781997.72 | 14815036.11 | 15675655.18 | 21318904.27 | |
| Pyrogallol-2-O-sulphate | 1636333.89 | 3799103.84 | 1446306.11 | 7310975.45 | 2440145.08 | |
| Pyroglutamic acid | 329023437.96 | 337560482.47 | 200461105.80 | 398048448.19 | 450667723.31 | |
| Pyruvic acid | 157196224.65 | 214433175.66 | 99579213.82 | 367531078.63 | 577496176.93 | |
| (R)-3-hydroxybutyrylcarnitine | 42677708.18 | 92253457.96 | 31543814.93 | 57900582.51 | 65740055.91 | |
| (R)-3-Hydroxydecanoic acid | 2274966.63 | 9331177.67 | 2368976.44 | 6882957.84 | 3433410.51 | |
| (R)-3-Hydroxy myristic acid | 884742.35 | 9457047.18 | 1326210.42 | 7474709.19 | 1851404.06 | |
| Retinyl beta-glucuronide | 26689739.81 | 3657549.68 | 2852471.53 | 4578163.07 | 4742298.72 | |
| Ribothymidine | 7769560.97 | 8351420.27 | 5935536.50 | 9672734.13 | 11551818.70 | |
| Rizatriptan | 3808973.11 | 6827650.37 | 4283426.41 | 7259229.59 | 12178356.89 | |
| (S)-9-Hydroxy-10-undecenoic acid | 287683.45 | 2106864.05 | 203995.13 | 969759.28 | 348741.73 | |
| Sakacin P | 1845917.33 | 2318376.09 | 2166970.65 | 4024309.05 | 4641506.38 | |
| Salbutamol | 2720197.96 | 7182614.84 | 4402368.06 | 4847347.93 | 3415678.16 | |
| Secoisolariciresinol | 10624557.69 | 9256247.91 | 4810683.92 | 9981010.92 | 8340186.94 | |
| Serotonin | 16433971.20 | 4177425.49 | 81898621.31 | 10421893.93 | 42020400.02 | |
| Serratanidine | 1255182.38 | 1323174.83 | 1966626.90 | 2281540.21 | 877311.89 | |
| Sorbitan laurate | 8104558.52 | 43051295.63 | 1996974.79 | 7750273.83 | 15230395.29 | |
| Spermidine | 47452726.43 | 16303223.78 | 39524016.90 | 17197992.03 | 35844570.25 | |
| Spermine | 1805200.03 | 1047524.56 | 3951755.69 | 807879.54 | 1326606.86 | |
| Sphinganine | 16237947.74 | 11788841.52 | 17407764.60 | 15036806.85 | 14213383.36 | |
| Sphinganine 1-phosphate | 30211297.07 | 35140228.01 | 24113378.54 | 30540438.58 | 59284117.32 | |
| Sphingosine 1-phosphate | 146988677.90 | 241165741.24 | 115587012.97 | 169299534.23 | 270789340.18 | |
| Suberic acid | 12437985.27 | 32161025.08 | 7062537.18 | 18022937.90 | 11937474.43 | |
| Succinic acid | 278107480.24 | 413996264.98 | 58765314.94 | 1025851925.67 | 1369549332.69 | |
| Taurine | 274003419.47 | 910842691.53 | 315471610.07 | 439766147.56 | 389546703.01 | |
| Taurochenodeoxycholic acid | 86128056.48 | 7939549.96 | 6393383.99 | 9018956.66 | 19940446.87 | |
| Tetraacetylethylenediamine | 1748879.85 | 3310062.93 | 1867570.64 | 5464189.72 | 5919045.18 | |
| Tetradecanedioic acid | 7380219.07 | 55200721.24 | 5020437.93 | 37601213.27 | 12940458.17 | |
| Tetrahydrocortisol | 1709142.08 | 2286499.16 | 1918924.86 | 10495842.08 | 4621159.90 | |
| Tetrahydrocortisone | 6547147.77 | 1293020.23 | 5125317.65 | 1913462.32 | 4363785.64 | |
| Threonic acid | 47691876.17 | 115711780.14 | 57549055.97 | 84223234.88 | 78699534.82 | |
| Threonylphenylalanine | 951061.89 | 1733799.70 | 6424207.83 | 5001043.60 | 3422692.04 | |
| THREO-SPHINGOSINE, (-)- | 1575952.21 | 3911971.46 | 1818705.35 | 1938439.63 | 3998254.31 | |
| Thymopentin | 5502740.57 | 4484646.02 | 4177740.60 | 5603947.43 | 6257163.72 | |
| Tiglylcarnitine | 1135494.48 | 4702777.84 | 2029840.71 | 3306188.84 | 2704883.00 | |
| Tiglylglycine | 8226037.45 | 16099132.18 | 4645254.16 | 13897218.71 | 15062082.05 | |
| Timonacic | 4615081.51 | 30884793.84 | 7988136.83 | 20430078.32 | 6647126.10 | |
| Tranexamic Acid | 22977568.73 | 13192228.67 | 5519248.03 | 16585072.70 | 16510239.51 | |
| trans-2-Dodecenoylcarnitine | 4408924.51 | 7365378.97 | 2364568.61 | 13508059.82 | 3945671.04 | |
| trans-Hexadec-2-enoyl carnitine | 16025266.36 | 121724744.15 | 15663417.25 | 98022353.75 | 27590368.12 | |
| Traumatic acid | 4706846.00 | 32574872.26 | 3378307.82 | 11351205.81 | 8511666.04 | |
| Traumatin | 1855184.75 | 3256358.82 | 1338461.90 | 1782883.59 | 2517968.52 | |
| Trepibutone | 182138.84 | 741742.47 | 94172.62 | 249316.86 | 202739.80 | |
| Triacetin | 6535715.18 | 5250883.09 | 5932542.50 | 4472051.37 | 5741389.20 | |
| Tridecanedioic acid | 3344529.74 | 5888407.31 | 3359409.55 | 4481982.72 | 4032846.99 | |
| Tridecanoylglycine | 2811015.64 | 1323630.93 | 1377770.34 | 1377588.61 | 1476173.53 | |
| Triethyl citrate | 18814545.54 | 17194984.40 | 13722870.94 | 16609804.85 | 17418011.36 | |
| Trifluoroacetic acid | 396604511.86 | 482633387.48 | 503518975.80 | 465689810.67 | 459754327.08 | |
| Trimethadione | 8522829.79 | 11220140.63 | 14085473.16 | 16304714.73 | 12174627.52 | |
| Tryptophol | 461428.96 | 1666356.72 | 756126.61 | 974832.03 | 2170370.37 | |
| tyr-glu | 30295700.21 | 25432154.77 | 36723099.17 | 33072624.60 | 43101362.41 | |
| Ubiquinone-2 | 100054.54 | 1228990.60 | 88808.17 | 429406.77 | 130929.96 | |
| Uracil | 25572529.53 | 32038482.98 | 8632901.09 | 56788165.29 | 69662219.28 | |
| Uric acid | 113052402.49 | 190055556.76 | 77854163.97 | 222364067.05 | 355907941.28 | |
| Uridine | 81023918.69 | 112181393.79 | 35653084.99 | 138231320.99 | 205039412.56 | |
| Valeroidine | 4119008.93 | 27349088.76 | 4418782.59 | 22653601.70 | 4278791.88 | |
| val-glu | 49737308.74 | 46220291.43 | 57444159.20 | 53319687.30 | 67250333.97 | |
| Valproic acid glucuronide | 6345990.69 | 6952998.77 | 4655281.98 | 12304549.95 | 6402636.43 | |
| Vigabatrin | 33932346.67 | 53578133.47 | 31630063.71 | 48486249.34 | 50199373.83 | |
| Xanthine | 2430941.84 | 1239707.25 | 4415412.13 | 6311667.02 | 14632990.26 | |
| Xanthurenic acid | 5844333.32 | 5976170.02 | 7739700.16 | 10590662.27 | 15181730.62 | |
| xi-8-Hydroxyhexadecanedioic acid | 1123657.56 | 2402288.81 | 223176.06 | 473165.48 | 1192631.72 |
Factors:
| F1 | Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death |
| F2 | Phenotype 1:Drowning | Phenotype 2:Non-drug related death |
| F3 | Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death |
| F4 | Phenotype 1:Lethal chlorpromazine poisoning | Phenotype 2:Lethal chlorpromazine poisoning |
| F5 | Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death |
