Data for ST004204
| Metabolite structure | All data | F1 | F2 | F3 |
|---|---|---|---|---|
| 10-Nitrolinoleate | 1323057.72 | 1549036.61 | 16165037.67 | |
| 1-[1,1^-biphenyl]-4-yl-3-piperidinopropan-1-ol | 67019992.05 | 55287040.61 | 11006967.29 | |
| 1-(1,8-dihydroxy-3,6-dimethyl-2-naphthyl)ethan-1-one | 5174632.35 | 13562826.91 | 6201500.43 | |
| (11E,15Z)-9,10,13-trihydroxyoctadeca-11,15-dienoic acid | 10744262.22 | 11127929.08 | 17449009.75 | |
| 11-Ketoetiocholanolone | 9513876.02 | 4813545.30 | 35238342.69 | |
| 11β-Hydroxyandrosterone | 22812665.21 | 92329653.84 | 16010968.86 | |
| 1-(2,4-dihydroxyphenyl)-2-(3,5-dimethoxyphenyl)propan-1-one | 2053631.00 | 2151635.00 | 5439156.53 | |
| 1-{2-[(4-fluorophenyl)sulfonyl]ethyl}-4-(2-pyridinyl)piperaz... | 61285844.37 | 56773027.34 | 7408075.40 | |
| 1-(2-chlorophenyl)-4-(2,4-dinitrophenyl)piperazine | 69534032.41 | 87624510.55 | 7474862.71 | |
| 1,2-di(3,4-dimethoxyphenyl)diaz-1-ene | 1938539.69 | 1976351.32 | 17602146.60 | |
| 1,2-dihydroxyheptadec-16-yn-4-yl acetate | 153751360.21 | 245960692.09 | 85041577.00 | |
| 12-Oxo phytodienoic acid | 35764187.37 | 69070846.60 | 35963911.57 | |
| (12Z)-9,10,11-trihydroxyoctadec-12-enoic acid | 25715887.99 | 30767279.32 | 30299631.71 | |
| 13,14-Dihydro prostaglandin E1 | 40236292.97 | 141444090.75 | 20910935.54 | |
| 1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one | 281690451.65 | 84075978.61 | 9752716.88 | |
| 1-(3,4-dimethoxyphenyl)ethan-1-one oxime | 120541132.11 | 421697619.97 | 10314868.81 | |
| 1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidine | 6896812.80 | 7324423.29 | 24523202.49 | |
| 13-HPODE | 127830585.12 | 102127183.16 | 62577681.55 | |
| 13-Hpotre(R) | 77118092.38 | 76859982.70 | 28784588.07 | |
| 1-(3-phenylpropanoyl)-4-piperidinecarboxylic acid | 1932960.45 | 2159780.21 | 21326085.36 | |
| 13(S)-HOTrE | 94401837.49 | 117948587.93 | 68288476.66 | |
| 1-(4-chlorophenyl)-2-phenylethan-1-one | 7925329.57 | 8077714.36 | 1386304.34 | |
| 1,4-dihydroxyheptadec-16-en-2-yl acetate | 43427201.28 | 43917138.80 | 14848721.49 | |
| 1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]ethan-1-one | 69432345.04 | 51483022.73 | 18812858.52 | |
| 1,5-dimethyl-N-(4-morpholinobenzyl)-1H-pyrazole-3-carboxamid... | 109046391.51 | 120250967.30 | 15180325.05 | |
| 1-(6-methyl-3-pyridyl)ethan-1-one O1-ethyloxime hydrochlorid... | 32671158.47 | 31607098.06 | 25017828.43 | |
| 17alpha-Ethinyl estradiol | 9440895.92 | 13638495.59 | 3986261.49 | |
| 1,7-bis(4-hydroxyphenyl)heptan-3-one | 36201158.94 | 24786297.30 | 13223071.37 | |
| 1-(7-methoxy-2-oxo-2H-chromen-8-yl)-3-methyl-2-oxobutyl acet... | 53915910.87 | 55603103.56 | 40440351.35 | |
| 19-Nortestosterone | 31786877.23 | 45343930.75 | 22841724.93 | |
| 1-allyl-4,5-diphenyl-2-(2-thienyl)-1H-imidazole | 12278602.15 | 22973986.15 | 11980948.39 | |
| 1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione | 4073017.42 | 5724812.61 | 6734773.02 | |
| (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one | 51728419.34 | 54519237.45 | 12122283.38 | |
| (1E)-5-hydroxy-1,7-diphenylhept-1-en-3-one | 22518413.99 | 18358034.31 | 3066464.90 | |
| 1-Methyladenosine | 1595364.37 | 1625795.14 | 6921204.54 | |
| 1-Methylguanine | 7157102.05 | 7296977.09 | 19419473.92 | |
| 1-Methylguanosine | 288379316.45 | 107277419.91 | 12918135.47 | |
| 1-Methylhistidine | 1155343.13 | 1189910.51 | 3614169.41 | |
| 1-Palmitoylglycerol | 3161570485.25 | 7154478807.66 | 4654107751.00 | |
| 1-Phenyl-3-methyl-5-pyrazolone | 239051624.22 | 187652528.96 | 16193479.17 | |
| 1-(piperidinomethyl)-2-naphthol | 22680831.50 | 24365058.94 | 28958080.49 | |
| (1R,2R)-trans-N-Boc-1,2-cyclohexanediamine | 181020053.00 | 203426618.56 | 27085378.48 | |
| 1-Stearoylglycerol | 3976435955.00 | 9052880819.41 | 5415860014.67 | |
| 2-[1,1^-biphenyl]-4-yl-6-phenyl-1,3-benzoxazole | 4339821.46 | 5910686.33 | 11135800.02 | |
| 2-(14,15-Epoxyeicosatrienoyl) glycerol | 68021359.23 | 94980658.20 | 44822547.99 | |
| 2-(1H-benzimidazol-2-yl)-N-[4-(benzyloxy)phenyl]benzamide | 104581738.42 | 60041763.63 | 11484136.11 | |
| 2-(2-amino-3-methylbutanamido)-3-phenylpropanoic acid | 7596093.36 | 6481208.40 | 65922656.44 | |
| 2-{2-oxo-2-[(2-oxo-3-azepanyl)amino]ethoxy}acetic acid | 87396822.23 | 80213404.33 | 169421010.90 | |
| 2-(3,4-dimethoxyphenyl)-N-(4-morpholinophenyl)acetamide | 14414457.16 | 15319965.94 | 35865926.06 | |
| 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid | 25698328.79 | 16496329.81 | 24364440.77 | |
| 2,3-dihydroxypropyl 12-methyltridecanoate | 155392842.68 | 273109449.78 | 124773368.27 | |
| 23-Nordeoxycholic acid | 9279208.11 | 18279054.31 | 12565870.89 | |
| 2-[(3S)-1-(2-Chlorobenzyl)-3-pyrrolidinyl]-5-methyl-1,3,4-ox... | 3926126027.50 | 2374994626.65 | 276254497.30 | |
| 2-[(3S)-1-(2-Thienylmethyl)-3-pyrrolidinyl]-1,3-benzothiazol... | 29079041.01 | 18750072.99 | 7573268.66 | |
| 2-[(3S)-1-(3-Methoxybenzyl)-3-pyrrolidinyl]-1,3-benzothiazol... | 58726280.25 | 56725356.20 | 5674654.43 | |
| 2-[(3S)-1-Isopropyl-3-pyrrolidinyl]-1H-benzimidazole-5-carbo... | 11361385.43 | 10683947.84 | 22281180.15 | |
| 2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-4H-chromen-4-one | 1944932.01 | 2233913.24 | 25972673.57 | |
| 2-{[(4,5-dimethoxy-2-nitrophenethyl)imino]methyl}phenol | 46423960.71 | 31384700.09 | 13515236.28 | |
| 2-({[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl)p... | 17364059.15 | 31019423.98 | 55171982.88 | |
| 2,4-dihydroxyheptadec-16-en-1-yl acetate | 62099561.26 | 49277745.61 | 12323483.32 | |
| 2,4-Dimethylbenzaldehyde | 122408486.04 | 139459656.31 | 658748639.00 | |
| 2-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-2H-1,2,3,4-tet... | 228383873.32 | 242635163.82 | 93011574.78 | |
| 2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoic acid | 15076504.74 | 3181585.35 | 13644834.12 | |
| 2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol | 2375118.08 | 2487933.96 | 1071287.28 | |
| 2,6-Dihydroxypurine | 13007463.80 | 21015608.29 | 49453269.54 | |
| 2-acetamido-3-(4-methoxyphenyl)propanoic acid | 2266107.29 | 8141953.90 | 4449075.08 | |
| 2-Amino-1,3,4-octadecanetriol | 1328306976.20 | 1576920758.99 | 6378861797.00 | |
| 2-Amino-1,3-octadecanediol | 963698568.73 | 2724350809.12 | 1434609400.00 | |
| 2-Aminoacetophenone | 378569132.52 | 224839657.98 | 117642069.14 | |
| 2-Aminoadipic acid | 91496218.41 | 847768124.16 | 36376229.87 | |
| 2-Aminobenzenesulfonamide | 2357000.63 | 2378349.64 | 12487119.02 | |
| 2-Aminobenzenesulfonic acid | 3931448.02 | 8004497.23 | 12633560.31 | |
| 2-Benzyl-5-[(3S)-1-isopropyl-3-pyrrolidinyl]-1,3,4-oxadiazol... | 1117375.06 | 1167051.84 | 9960942.33 | |
| 2-[(butylamino)(imino)methyl]-1-oxohydrazinium-1-olate | 1780910.61 | 929389.39 | 281875.59 | |
| 2^-Deoxyadenosine | 33189637.89 | 46627538.66 | 8780624.33 | |
| 2-deoxyglucose-6-phosphate | 8699277.49 | 17305466.13 | 8337476.28 | |
| (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid | 299198820.90 | 294869290.30 | 116835298.30 | |
| (2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide | 37070510.64 | 44458612.04 | 34943943.80 | |
| (2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide | 9403940.02 | 57121493.47 | 62300107.81 | |
| 2-(Formylamino)Benzoic Acid | 120719578.19 | 63040806.78 | 7409108.38 | |
| 2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzoic a... | 2164525.69 | 13720604.31 | 1083447.59 | |
| 2-Hydroxybenzothiazole | 761835434.40 | 485083394.60 | 27183484.00 | |
| 2-Hydroxycinnamic acid | 45201373.87 | 57023165.82 | 57105833.41 | |
| 2-Hydroxyhippuric acid | 34437647.95 | 89814688.23 | 144815666.73 | |
| 2-Hydroxyphenylalanine | 357078280.05 | 831196447.71 | 89673250.24 | |
| 2-Hydroxypropazine | 3969867171.25 | 4627704795.50 | 1596956214.00 | |
| 2-mercapto-5-methyl-6-propylpyrimidin-4-ol | 162665736.12 | 139180158.41 | 28258723.56 | |
| 2-Mercaptobenzothiazole | 2259574.71 | 334964592.28 | 9490224.19 | |
| 2-Methoxybenzaldehyde | 262623804.45 | 275756511.74 | 267296455.67 | |
| 2-Methoxyestradiol (2-MeOE2) | 2529097.38 | 3073234.87 | 8005681.76 | |
| 2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one | 679410286.42 | 875105418.17 | 353277243.50 | |
| 2-Methylpentanedioic acid | 267119102.20 | 73051950.29 | 7929482.44 | |
| 2-Naphthol | 88177078.71 | 101436656.50 | 14221373.40 | |
| 2^-O-Methyladenosine | 5282666.82 | 4105123.16 | 7779013.31 | |
| 2-phenyl-2,4,6,7-tetrahydrothiino[4,3-c]pyrazol-3-ol | 7259826.82 | 23571265.02 | 2966393.42 | |
| 2-Phenylacetamide | 2785243895.75 | 1857634943.88 | 691630391.40 | |
| 2-Phenylglycine | 432640140.05 | 264351376.71 | 185614041.67 | |
| 2-Phenylpropionic acid | 54039847.10 | 57578770.81 | 52779522.84 | |
| (2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic... | 29500835.21 | 94057451.35 | 8635515.55 | |
| (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3... | 55627866.97 | 66123590.51 | 16742479.86 | |
| (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(propan-2-yloxy)oxane-3... | 30649515.59 | 26255694.86 | 176166994.87 | |
| 3-(1H-benzo[d]imidazol-2-yl)-6-ethyl-7-hydroxy-4H-chromen-4-... | 2509177.07 | 14312961.89 | 4711859.52 | |
| 3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione | 8380698.67 | 6894954.96 | 4717695.35 | |
| 3-(2-Naphthyl)-D-Alanine | 9922392.78 | 16699517.25 | 28943205.16 | |
| 3-(3,4,5-trimethoxyphenyl)propanoic acid | 98607912.21 | 66148838.58 | 9983625.16 | |
| 3-(3,4-dihydroxyphenyl)propanoic acid | 60404640.22 | 133622161.89 | 772901492.20 | |
| 3-(3,4-dimethylphenyl)-3,4-dihydro-1,2,3-benzotriazin-4-one | 62881155.60 | 64704757.83 | 41312346.60 | |
| 3,3-dimethyl-5-oxo-5-[(3-phenyl-1H-pyrazol-5-yl)amino]pentan... | 1449981.77 | 1740604.38 | 20434734.59 | |
| 3-(3-pyridinyl)propanoic acid | 95912252.97 | 81266922.04 | 53795575.58 | |
| 3-{[(3S)-3-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]methyl}ben... | 896832.15 | 1012042.80 | 4693981.57 | |
| 3-[(4-chlorobenzyl)thio]-4-methyl-5-undecyl-4H-1,2,4-triazol... | 2667937.17 | 2690917.99 | 5037975.56 | |
| 3-[(4-hydroxyphenyl)methyl]-octahydropyrrolo[1,2-a]pyrazine-... | 18312331848.50 | 19562818113.12 | 6835204801.00 | |
| 3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic a... | 10452388.29 | 12420613.53 | 3079719.49 | |
| 3-[4-(tert-butyl)anilino]-2-(3-thienylcarbonyl)acrylonitrile | 37280325.90 | 56929237.02 | 9441810.15 | |
| 3^-Adenosine monophosphate (3^-AMP) | 12225800.41 | 20073261.71 | 86075612.17 | |
| 3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diol | 14381345281.75 | 7915290135.12 | 327842795.03 | |
| 3-amino-4-(propylamino)cyclobut-3-ene-1,2-dione | 1212411219.78 | 2015653941.50 | 479036474.00 | |
| 3^-Dephospho-CoA | 231133065.60 | 250266052.78 | 10604713.11 | |
| 3-hydroxy-1,5-diphenylpentan-1-one | 134144031.72 | 104503535.76 | 45414729.89 | |
| 3-hydroxy-2-(3-nitro-4-piperidinobenzyl)propanenitrile | 1296278.24 | 1543595.19 | 21944203.99 | |
| 3-hydroxy-2-[5-nitro-2-(1-pyrrolidinyl)benzyl]propanenitrile | 466419858.68 | 163932458.30 | 73612336.04 | |
| 3-hydroxy-3-(2-pyridylmethyl)indolin-2-one | 147754066.28 | 153431838.97 | 122983795.43 | |
| 3-hydroxy-6-methoxy-2-phenyl-4H-chromen-4-one | 26968160.11 | 10422286.46 | 6645122.64 | |
| 3-Hydroxylidocaine | 7165377.82 | 8449855.82 | 38593429.21 | |
| 3-hydroxyquinuclidine-3-carbonitrile hydrochloride | 124594894.95 | 245520946.67 | 44826445.79 | |
| 3-Indoleacrylic acid | 15844793.81 | 28803083.68 | 23161486.67 | |
| 3-Methoxy prostaglandin F1α | 50583263.13 | 41732191.77 | 8188973.90 | |
| 3-Methoxytyramine | 93125453.31 | 95781932.06 | 78881013.46 | |
| 3-N-Methyl-L-histidine | 14223641.22 | 14402635.17 | 9133861.02 | |
| 3-phenyl-5-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1,2,4-thiad... | 30824150.54 | 31260716.37 | 11920670.57 | |
| 3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione | 30047301398.75 | 36090159908.12 | 11628721264.33 | |
| (3R)-8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-2-benzopyr... | 11295591.12 | 6927894.58 | 1348724.87 | |
| (3S,9aS)-3-benzyl-octahydro-1H-pyrido[1,2-a]pyrazin-1-one | 67862233.88 | 71281818.14 | 22841292.27 | |
| 4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid | 6927607.80 | 2951731.70 | 1232498.68 | |
| 4-{4-[(4-chlorophenyl)thio]-3-nitrophenyl}-2-methyl-1,3-thia... | 21805779.45 | 26147867.69 | 357499529.20 | |
| 4,5-diphenyl-1,3-oxazole-2-thiol | 6034585.20 | 9046174.57 | 1061365.58 | |
| 4-acetyl-4-(ethoxycarbonyl)heptanedioic acid | 302239048.57 | 289628733.30 | 115413026.30 | |
| 4-(anilinomethylidene)-3-methyl-4,5-dihydroisoxazol-5-one | 162665736.12 | 139358448.40 | 28441844.42 | |
| (4-benzoylpiperidino)[4-(tert-butyl)phenyl]methanone | 53537406.74 | 49334787.85 | 11520910.67 | |
| 4-(cyclohexylmethyl)-6-(2-thienyl)-2,3-dihydropyridazin-3-on... | 84907982.28 | 57418951.42 | 9084046.71 | |
| 4-cyclopropyl-6-methoxy-1,3,5-triazin-2-amine | 2455318.89 | 67040879.58 | 8191548.31 | |
| 4-(Diethylamino)benzaldehyde | 44881059.51 | 65376460.85 | 44343401.79 | |
| 4-Hydroxybenzaldehyde | 285131005.68 | 198469459.98 | 114000521.74 | |
| 4-Hydroxypropranolol | 1503846.20 | 2001246.08 | 112013579.27 | |
| 4-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole | 181616447.62 | 154516570.71 | 20967741.24 | |
| 4-Methylumbelliferyl glucuronide | 220046609.88 | 107853753.92 | 11048892.69 | |
| 4-Methylvaleric Acid | 57236702.42 | 51257862.85 | 53332473.85 | |
| (4-nitrophenyl)(2,3,4,5,6-pentamethylphenyl)methanone | 62639990.66 | 49217199.52 | 15279045.37 | |
| 4-oxo-4-[(1-phenylethyl)amino]but-2-enoic acid | 7086860.61 | 6454811.27 | 22280623.91 | |
| 4-oxododecanedioic acid | 2395248.93 | 3511948.41 | 3973368.26 | |
| 4^-propyl[1,1^-biphenyl]-4-carboxamide | 32245862.82 | 45119826.70 | 5819782.16 | |
| 5-[(10Z)-14-(3,5-dihydroxyphenyl)tetradec-10-en-1-yl]benzene... | 18798670.52 | 378156605.11 | 48700542.88 | |
| 5-(2,5-dihydroxyhexyl)oxolan-2-one | 5440806.50 | 132663092.05 | 71755446.18 | |
| 5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole | 101180987.34 | 80590356.19 | 6198890.88 | |
| 5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one | 473867013.30 | 522546235.52 | 124453475.03 | |
| 5,8-dihydroxy-10-methyl-5,8,9,10-tetrahydro-2H-oxecin-2-one | 48509427.12 | 7578282.60 | 4843851.01 | |
| 5-amino-2-(dimethylamino)benzoic acid | 160874217.40 | 153143287.69 | 19396420.25 | |
| 5-cyano-3,4-dimethylthiophene-2-carboxamide | 1226432.73 | 1260973.93 | 1109017062.50 | |
| 5^-Deoxy-5^-(Methylthio)Adenosine | 2236965.06 | 3056967.26 | 463511.87 | |
| (5E)-7-methylidene-10-oxo-4-(propan-2-yl)undec-5-enoic acid | 50747451.52 | 58242416.46 | 17986330.50 | |
| 5-Hydroxyindole | 197372529.85 | 452922900.99 | 10069820.15 | |
| 5-Hydroxyindole-2-carboxylic acid | 10527857.76 | 7962982.33 | 5903769.72 | |
| 5-Hydroxyindole-3-acetic acid | 5330636.33 | 4745654.45 | 4886376.57 | |
| 5-Hydroxymethyluracil | 7839826.49 | 7678888.28 | 2725337.81 | |
| 5-(isopropylthio)-4-phenyl-4H-1,2,4-triazol-3-ol | 1701629.39 | 10698786.20 | 798384.46 | |
| (5-L-Glutamyl)-L-Amino Acid | 1191216.02 | 2244830.36 | 33377544.33 | |
| 5-methoxy-2-phenyl-4H-chromen-4-one | 1364065.20 | 8425168.51 | 3522983.46 | |
| 5-Methyl-2^-deoxycytidine | 2024642.35 | 1773663.87 | 7073185.19 | |
| 5-Methylcytosine | 65358658.12 | 75418590.42 | 27376913.63 | |
| 5-Methyl-dl-tryptophan | 81065410.39 | 109532019.44 | 25150649.80 | |
| 5-oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic ... | 42520729.38 | 15469360.59 | 2002655.32 | |
| 5^-S-Methyl-5^-thioadenosine | 28522315852.75 | 30188584459.75 | 940811995.53 | |
| 6-(3-hydroxybutan-2-yl)-5-(hydroxymethyl)-4-methoxy-2H-pyran... | 786922076.10 | 844607644.99 | 1036266911.67 | |
| 6,7,8-trimethoxy-2H-chromen-2-one | 78893984.05 | 40530220.23 | 8347279.68 | |
| 6,7-dihydro-5H-dibenzo[d,f][1,3]diazepin-6-one | 920117786.02 | 957916454.55 | 544112558.80 | |
| 6-(7-methyloctyl)-1H,3H,4H,6H-furo[3,4-c]furan-1-one | 1859353.22 | 2382430.56 | 5561603.24 | |
| 6-benzyl-4-oxo-1,4-dihydropyridine-3-carboxamide | 11843821.29 | 29402748.15 | 8969181.87 | |
| 6-Deoxy-D-glucose | 55966098.98 | 48846957.64 | 10000120.39 | |
| 6-(Dimethylamino)purine | 2484680.72 | 3915676.79 | 6848038.87 | |
| (6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hept-6-en... | 49845720.39 | 153501150.30 | 114303926.39 | |
| 6-Methylquinoline | 156697544.60 | 261465482.72 | 67494068.12 | |
| 6-(Methylthio)purine | 2091428.76 | 6164195.12 | 137504577.77 | |
| 6-Pentyl-2H-pyran-2-one | 207528908.30 | 398478964.80 | 24412109.90 | |
| 6 β-Hydroxycortisol | 6419386.20 | 10848474.64 | 173899215.47 | |
| 7-(1H-pyrrol-1-yl)-5H-chromeno[2,3-b]pyridin-5-one | 79691243.86 | 62379946.55 | 15408424.06 | |
| 7-(1-pyrrolidinyl)pyrimido[4,5-d]pyrimidin-4-amine | 300838733.38 | 185365095.22 | 155357323.10 | |
| 7-(2-aminophenyl)heptanoic acid | 343066526.60 | 41576639.59 | 32447298.48 | |
| 7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2H-chromen-2-on... | 4390458.99 | 8522071.69 | 2322194.64 | |
| 7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-decahydronaphthalen-1... | 3876276.83 | 4656674.83 | 22971915.98 | |
| 7-methyl-3-nitroimidazo[1,2-a]pyridine | 902230.01 | 1018134.09 | 20165127.11 | |
| 7-Methylguanine | 5762117.30 | 6003588.83 | 17813830.76 | |
| 8,8-dimethyl-2-phenyl-4H,8H-pyrano[2,3-h]chromen-4-one | 2508428.91 | 2683515.45 | 9074079.54 | |
| 8-Aminooctanoic acid | 71365337.49 | 126816939.17 | 24048415.51 | |
| (±)8-HEPE | 9770860.99 | 22222492.20 | 5017830.92 | |
| 8-Hydroxyquinoline | 830908953.85 | 599802290.25 | 85890440.05 | |
| 8-Isoprostaglandin F1β | 5802465.27 | 10475306.89 | 30009540.22 | |
| 9-Aminoacridine | 47922934.93 | 45112039.99 | 16505941.48 | |
| 9-Oxo-ODE | 23563188.83 | 22024842.89 | 32004472.21 | |
| Acetophenone | 372509939.15 | 353517958.05 | 356881363.93 | |
| Acetylcarnitine | 26338582.29 | 30861079.88 | 58511520.23 | |
| Acetylcysteine | 17210145.68 | 28042027.74 | 59855731.67 | |
| Acetyl-N-formyl-5-methoxykynurenamine | 37001613.03 | 35287728.33 | 157169439.73 | |
| Adenine | 2866821898.50 | 2167189389.00 | 1020505295.40 | |
| Adenosine | 2365300348.25 | 1331941265.49 | 567130890.83 | |
| Adenosine 3^5^-cyclic monophosphate | 2084299.83 | 2146704.23 | 424731069.60 | |
| Adenosine 5^-Diphosphate | 38681349.34 | 55383583.14 | 18983262.51 | |
| ADP-ribose | 6275973.77 | 37981667.62 | 242351.52 | |
| Adrenosterone | 11755698.23 | 12999026.59 | 4627283.49 | |
| Aflatoxin B1 | 21162382.85 | 21304729.21 | 10172425.46 | |
| Aflatoxin G1 | 63089643.36 | 67616012.10 | 26241059.43 | |
| AKB48 N-(4-fluorobenzyl) analog | 1039433.35 | 1146833.69 | 3867884.21 | |
| AL 8810 Methyl ester | 1923638.05 | 2068209.04 | 3458624.18 | |
| Alanyltyrosine | 11088107.69 | 12296798.78 | 12046157.76 | |
| ALK | 1882328.55 | 3090890.79 | 10331012.12 | |
| Allantoin | 2670677.93 | 24574635.20 | 29849734.97 | |
| All trans-Retinal | 15470018.79 | 10895764.75 | 7028335.57 | |
| alpha-Benzylsuccinic acid | 146038812.55 | 124158956.92 | 11458895.90 | |
| Angiotensin IV | 4357549.64 | 4954871.69 | 44565400.66 | |
| ANK | 11717926.79 | 9970518.59 | 34914588.91 | |
| Anthranilic acid | 279521473.82 | 265048589.70 | 495836868.10 | |
| APK | 6592307.28 | 6658502.78 | 131032849.43 | |
| Asaraldehyde | 38324201.51 | 88475542.82 | 15349649.29 | |
| Asp-Glu | 10489140.29 | 5588347.66 | 41632835.13 | |
| Asp-Phe methyl ester | 3200231131.25 | 1127560010.59 | 514363090.13 | |
| Bafilomycin B1 | 6087973.73 | 11533074.10 | 657743451.07 | |
| Benzamide | 1234801.86 | 1238251.20 | 4071286.27 | |
| Benzamidine | 6759236.07 | 9348649.86 | 5908205.50 | |
| Betaine | 459124650.90 | 1364656699.03 | 602014707.33 | |
| Betulin | 2175566.14 | 7120157.14 | 1214085.36 | |
| bicyclo[2.2.2]oct-2-en-1-yl 4-methylbenzene-1-sulfonate | 27118077.57 | 13313754.16 | 5696501.81 | |
| Bicyclo prostaglandin E2 | 18369408.29 | 26863905.11 | 7994431.51 | |
| Bilirubin | 7635773.12 | 7918369.44 | 23594935.92 | |
| Biopterin | 1225927.00 | 2223621.64 | 13394326.74 | |
| Biotin | 381747256.70 | 1075650388.65 | 10180978.01 | |
| Bisphenol M | 65949182.86 | 62990492.33 | 23651935.03 | |
| Boldione | 3800839.78 | 7123024.76 | 820093.80 | |
| Bz-RS-ISer(3-Ph)-Ome | 3833517.64 | 5272636.07 | 19192173.33 | |
| Cafestol | 34624224.83 | 54969780.56 | 11584705.85 | |
| Caffeine | 69945713.56 | 490327509.66 | 8408818.75 | |
| Carnosine | 31251089.40 | 28674282.41 | 17301373.29 | |
| Catharanthine | 13457151.50 | 26337069.10 | 2401280.87 | |
| Choline | 26454784.82 | 47117869.02 | 117557492.37 | |
| Choline Glycerophosphate | 123829401.03 | 77797189.22 | 5957944.39 | |
| Cinchophen | 44342531.38 | 49336871.10 | 16751173.75 | |
| cis-7-Hexadecenoic Acid | 2874153.08 | 4295671.24 | 1440615.23 | |
| Clofencet-potassium | 914861.53 | 902652.93 | 2345093.88 | |
| Cortisol | 3907143.42 | 5873092.63 | 5910564.25 | |
| Creatine | 380130.68 | 375259.97 | 1832457.07 | |
| Cuminaldehyde | 567166994.17 | 738379670.56 | 481686783.10 | |
| Cyclic ADP-ribose | 18644656.68 | 39470811.53 | 6784818.41 | |
| Cyclocytidine | 10947978.42 | 9882585.88 | 25239056.73 | |
| CYM-5520 | 40076250.70 | 38431784.75 | 12743423.26 | |
| Cys-Gly | 835145.85 | 842396.91 | 12084446.12 | |
| Cytidine-5^-monophosphate | 1142814.67 | 1144187.09 | 34789534.18 | |
| Cytidine 5^-Monophosphate-N-Acetylneuraminic Acid | 1991945.36 | 1984343.79 | 29786887.82 | |
| D-Ala-D-Ala | 9385535.49 | 9802891.41 | 72672810.31 | |
| Dehydrocholic acid | 1973861.95 | 1917086.49 | 1406317.48 | |
| Deoxycorticosterone 21-glucoside | 8449976.41 | 8499961.74 | 92621292.99 | |
| Deoxycytidine | 2010799.77 | 2067211.93 | 7336317.13 | |
| Deoxyinosine | 8337566.29 | 2316054.88 | 6419814.49 | |
| Desoxycortone | 9176701.91 | 2848735.19 | 1705421.03 | |
| DGDG 15:0_15:0 | 9788088.31 | 11913915.51 | 5690131.49 | |
| D-Glucosamine | 1475231.04 | 2622472.18 | 31150497.76 | |
| D-(-)-Glutamine | 7743136.90 | 11033725.33 | 67913541.04 | |
| DGMG (18:2) | 2091796.05 | 2191268.61 | 1027438.06 | |
| D-Homocysteine | 31071179.20 | 26405954.09 | 773488.04 | |
| Diazepam-d8 | 1950751.72 | 2642322.45 | 2043890.52 | |
| Dibutyl sebacate | 73883990.75 | 8626079.35 | 6204911.28 | |
| diethyl 2-{[(6-methyl-2-pyridyl)amino]methylidene}malonate | 4136192.34 | 18536613.01 | 2071919.88 | |
| Diflorasone | 5843262.47 | 5184127.30 | 20237020.03 | |
| Dihydrothymine | 48304214.46 | 43531807.70 | 16551341.75 | |
| DL-2-(acetylamino)-3-phenylpropanoic acid | 90938777.67 | 479398634.08 | 156994879.20 | |
| DL-3,4-Dihydroxyphenyl glycol | 63220440.46 | 54946492.60 | 15673981.70 | |
| DL-5-Methoxytryptophan | 40515089.19 | 27339674.34 | 5982302.48 | |
| DL-Arginine | 1287410.07 | 9669603.27 | 144972174.00 | |
| DL-Citrulline | 1342124.28 | 1923110.51 | 10723913.02 | |
| DLK | 8301827.96 | 7186011.62 | 198401923.10 | |
| DL-Lysine | 66610601.35 | 104558782.71 | 754873256.00 | |
| DL-m-Tyrosine | 357078280.05 | 831196447.71 | 86788006.42 | |
| DL-Panthenol | 5057056.05 | 17046179.83 | 6051386.77 | |
| DL-Tryptophan | 12295433699.00 | 14295811172.12 | 3260636122.33 | |
| DNK | 480677125.40 | 210373489.78 | 54963435.50 | |
| Docosanamide | 8822996.35 | 15319989.11 | 4517178.77 | |
| D-Pantethine | 11270581.04 | 40290474.61 | 12755846.06 | |
| DPK | 25141611.08 | 24856075.05 | 14246293.27 | |
| D-(+)-Proline | 4429203187.25 | 2334503555.55 | 331466191.23 | |
| DRH | 3903678.43 | 4797996.83 | 4372195.59 | |
| D-Sphingosine | 7943744.46 | 38396513.24 | 17834761.33 | |
| Dulcitol | 1015821.59 | 32419873.45 | 54442010.58 | |
| Dutasteride | 10591340.42 | 12429015.52 | 157023402.57 | |
| D-Xylonic Acid | 1971997.69 | 1994254.36 | 15388513.00 | |
| DY131 | 120826350.50 | 82937360.69 | 53557358.06 | |
| EKK | 1739912.23 | 1469837.43 | 26586143.08 | |
| ELK | 1978484.16 | 2017230.29 | 23512454.28 | |
| EMH | 1849097.67 | 1873618.16 | 9684987.03 | |
| EMK | 11174233.25 | 7666730.18 | 34032146.26 | |
| Enalaprilat | 5571247.60 | 7088469.65 | 47657250.05 | |
| ENK | 1637761.56 | 1682947.18 | 8597498.94 | |
| EPH | 1838689.94 | 4131443.03 | 903118.66 | |
| Epigallocatechin | 1593481.35 | 1641951.94 | 8838701.65 | |
| Epinephrine | 259789577.53 | 157651638.01 | 11829529.15 | |
| Epinephrine bitartrate | 1796956.30 | 1836004.57 | 9727449.30 | |
| EPK | 65150659.53 | 45477426.87 | 6906929.58 | |
| EQH | 3019109.82 | 3071607.03 | 60488475.16 | |
| ERH | 225758871.25 | 529457167.73 | 21444745.81 | |
| Estradiol Benzoate | 1269626.66 | 4684808.12 | 1312354.82 | |
| Estrone | 1372960.05 | 2274698.16 | 138391214.57 | |
| ethyl 2-cyano-3-[(2-oxoazepan-3-yl)amino]acrylate | 9898897.23 | 10126484.71 | 6565509.77 | |
| ethyl 5-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylate | 17036656.65 | 11622390.47 | 27722296.69 | |
| Ethylmalonate | 2720557054.25 | 703186334.11 | 63399422.92 | |
| Ethyl oleate | 6795915.59 | 18738227.78 | 8030624.58 | |
| Feruloyl Putrescine | 35431899.40 | 91336544.73 | 15403927.46 | |
| Flavin Adenine Dinucleotide | 14724474.05 | 3504521.18 | 5029998.61 | |
| FNK | 8124829.36 | 4944804.06 | 20685937.78 | |
| Folic acid | 1441028.42 | 1351518.53 | 12814423.23 | |
| Gamma-Glu-Leu | 1845232.21 | 1981356.47 | 135132295.40 | |
| gamma-Glutamylleucine | 3830758772.00 | 2872193075.06 | 55440776.08 | |
| gamma-Glutamylmethionine | 23982868979.25 | 16723264647.41 | 4497831761.33 | |
| gamma-Glutamyltyrosine | 119339728.17 | 73600636.89 | 69326635.76 | |
| Gelsemine | 44734436.75 | 21716933.60 | 5491678.27 | |
| Ginsenoside Rg3 | 2252647.49 | 6898587.65 | 1257100.99 | |
| Glu-Glu | 15860968129.50 | 10109541422.27 | 3407726459.00 | |
| Glutamic acid | 37773812.47 | 92357262.42 | 413355293.40 | |
| Glu-Val-Phe | 24243058.14 | 13606414.40 | 156010878.53 | |
| Glycylproline | 393061923.30 | 194459286.56 | 35429597.12 | |
| Gly-Phe | 25056988.91 | 28469188.69 | 17563962.81 | |
| Gly-Tyr | 16326936.35 | 10586961.29 | 94763614.70 | |
| Gly-Tyr-Ala | 30569458.76 | 18571423.79 | 15897016.39 | |
| GPK | 1202126.19 | 10706849.55 | 626011.44 | |
| Guanine | 98301539.72 | 75747551.07 | 1039581632.33 | |
| Guanosine 3^,5^-cyclic monophosphate | 1684691.13 | 4442821.90 | 163789281.70 | |
| Guanosine monophosphate | 2171539.16 | 2245555.64 | 198912586.70 | |
| HET0016 | 25199488.08 | 23114781.63 | 1114071099.00 | |
| Hexadecanamide | 290930373.43 | 748888228.29 | 1578469444.00 | |
| H-Gly-Pro-OH | 114508689.38 | 130987932.42 | 34748587.12 | |
| HKK | 1352808.39 | 1066442.79 | 11818703.92 | |
| HLK | 1494465.11 | 2150885.45 | 31201291.70 | |
| HNK | 1204168.99 | 1203902.19 | 9272452.71 | |
| HRH | 65630924.39 | 22532529.67 | 47744718.71 | |
| Hydrocortisone | 4335663.95 | 13823941.94 | 1411772.65 | |
| IMK | 652711237.23 | 287886928.31 | 21256106.48 | |
| Indirubin | 20809713.86 | 11121213.13 | 13321456.17 | |
| Indole | 2888284611.00 | 2312659011.49 | 932769375.40 | |
| Indole-3-acetic acid | 2800081739.75 | 2025734130.47 | 7597265802.00 | |
| Indole-3-acrylic acid | 18670660430.50 | 21253629867.38 | 4563178679.33 | |
| Indole-3-lactic acid | 242636481.68 | 262835874.38 | 124882944.57 | |
| indoline-2-carboxylic acid | 2786599065.50 | 1648167283.49 | 847342230.07 | |
| INH | 3259775.65 | 7556100.44 | 2474351.54 | |
| Inositol | 1551567.56 | 38499582.47 | 756715.56 | |
| IPH | 44772531.86 | 40731002.51 | 8284507.87 | |
| IRH | 89644285.89 | 57589307.49 | 18400457.75 | |
| Isoleucine | 715557893.30 | 1427990583.45 | 125968278.50 | |
| Isopropyl myristate | 6524031.68 | 20866471.48 | 7782320.76 | |
| Isoquinoline | 2446414857.50 | 1577296739.89 | 2959075617.33 | |
| Isorhapontigenin | 145534897.53 | 109664595.97 | 75051776.52 | |
| J147 | 2682552.13 | 2656959.30 | 8192575.01 | |
| JWH 412 N-(5-hydroxypentyl) metabolite | 30057271.08 | 26239013.76 | 11535471.92 | |
| Kanosamine | 1154128.65 | 2400959.88 | 13394326.74 | |
| Kinetin | 1107727559.67 | 1037882535.80 | 104325530.86 | |
| KKK | 7597702.42 | 10767803.78 | 7452021.29 | |
| KMH | 35084008.48 | 32605791.37 | 8687547.65 | |
| KNK | 2062480.44 | 2053240.37 | 26530591.41 | |
| Kojic acid | 82823392.82 | 80785216.44 | 96087786.82 | |
| KPH | 1141853.12 | 2293562.60 | 43503477.52 | |
| KQH | 1465670.02 | 1434100.68 | 7289841.30 | |
| L-Alanyl-L-Lysine | 2134948.38 | 2765124.26 | 15565324.69 | |
| L-(-)-alpha-Amino-epsilon-Caprolactam | 105204467.79 | 202988533.51 | 11266990.63 | |
| L-Argininosuccinate | 9535382.52 | 23165205.32 | 10208013.67 | |
| L-Asparagine | 8337483.44 | 9228594.48 | 48939423.98 | |
| L-Aspartic acid | 94083762.11 | 110558695.44 | 58173517.50 | |
| L-Carnitine | 3040013.28 | 2939885.48 | 43108993.44 | |
| L-cysteine | 1261390.22 | 1678157.00 | 19105658.63 | |
| L-Cysteine-glutathione gisulfide | 1099249.69 | 1146064.73 | 13268929.08 | |
| L-Cystine | 992023.68 | 1047841.87 | 7947963.94 | |
| L-Dihydroorotic Acid | 1746449.10 | 1674050.06 | 8717968.40 | |
| Lenalidomide | 123871845.12 | 38417123.65 | 9138299.92 | |
| L-Ergothioneine | 950718.75 | 4701478.93 | 106956.96 | |
| Leucylproline | 1350976179.00 | 809390569.65 | 833545063.70 | |
| Leu-Pro | 156796374.93 | 269759116.26 | 69517465.81 | |
| L-Glutamate | 60878068.45 | 168788402.58 | 30413187.16 | |
| L-Glutamic acid | 145723965.88 | 126557956.80 | 267800512.17 | |
| L-Glutathione (reduced) | 4820176.98 | 13070101.45 | 103526198.09 | |
| L-Histidine | 16935588.80 | 17899145.65 | 270975579.60 | |
| Lidocaine N-oxide | 5935156.48 | 9368216.01 | 56598253.30 | |
| Limonin | 46823409.20 | 51570130.26 | 9761478.15 | |
| Linolelaidic Acid (C18:2N6T) | 45880048.24 | 68418266.65 | 22618331.19 | |
| L-Kynurenine | 55661426.43 | 43334142.42 | 39986738.30 | |
| L-Leucyl-L-Alanine | 787787572.86 | 1476522335.65 | 279364372.47 | |
| LLK | 7781870.99 | 7834097.32 | 31241771.26 | |
| L-Methionine Methyl Ester | 1650048.30 | 1966018.17 | 4892423.66 | |
| LMK | 193306870.05 | 105624509.75 | 7303864.76 | |
| LNH | 5773145.23 | 7776266.71 | 4431926.63 | |
| L-Norleucine | 646815154.90 | 838367093.62 | 2665908483.00 | |
| Lobeline | 6807021.22 | 7882863.08 | 65391942.95 | |
| L-Ornithine | 968163.97 | 1279315.36 | 30834337.99 | |
| LPC 16:0-SN1 | 7987639.80 | 16853722.03 | 6645982.02 | |
| LPC 18:1-SN1 | 1820866.79 | 10161163.81 | 2846670.61 | |
| L-Phenylalanine | 347753476.35 | 413337068.02 | 169091380.53 | |
| LQH | 6420738.37 | 6849705.60 | 41503121.21 | |
| L-Saccharopine | 1292998.16 | 1446852.14 | 21449941.38 | |
| LysoPC 10:0 | 3734428.41 | 4965299.97 | 21125141.20 | |
| Lysope 14:0 | 6046924.47 | 8149987.40 | 22712816.70 | |
| Lysops 22:5 | 9009382.87 | 10219912.87 | 45602641.88 | |
| Mag (18:1) | 6039107.60 | 42401951.41 | 19769062.39 | |
| MAG (18:3) | 89185191.64 | 65675363.13 | 17001204.08 | |
| MAM2201 N-(5-chloropentyl) analog | 2969994.57 | 8427410.05 | 34252216.78 | |
| Meperidine-d5 | 6068589.98 | 9638182.95 | 75582517.24 | |
| mesityl(piperidin-4-yl)methanone hydrochloride | 147180142.15 | 93027390.26 | 31587454.57 | |
| Methanandamide | 2762441.23 | 14126403.61 | 1328867.61 | |
| Methionine | 780192817.70 | 852149373.36 | 79872715.04 | |
| Methionine sulfoxide | 345337931.25 | 245453339.25 | 50435059.46 | |
| Methyl 3-indolyacetate | 83370589.74 | 76886093.20 | 80146600.61 | |
| Methyl cinnamate | 376022398.90 | 344961819.11 | 53287375.89 | |
| Methyl dihydrojasmonate | 66533966.38 | 63158933.87 | 36182161.82 | |
| Methylimidazoleacetic acid | 57397746.45 | 62735403.34 | 21967749.96 | |
| Methyl palmitate | 465286719.43 | 933963531.84 | 323902526.00 | |
| Milbemycin A3 oxime | 8961561.77 | 9867485.92 | 79581681.00 | |
| Milbemycin A4 oxime | 12142792.64 | 19551751.32 | 355299303.73 | |
| Minocycline | 5609303.86 | 8853881.17 | 101462986.10 | |
| Mirtazapine-d3 | 11194887.23 | 7701232.62 | 322104964.70 | |
| MJN110 | 3554713.40 | 3441753.30 | 149790964.60 | |
| MMK | 1220309.79 | 1346967.20 | 35129730.29 | |
| MNK | 5649183.21 | 6637761.42 | 8793666.49 | |
| Monolaurin | 107598408.16 | 112610018.78 | 42708299.45 | |
| Morphine D3 | 109269651.50 | 112949922.04 | 37223671.68 | |
| MPH | 79910569.25 | 75359356.24 | 19594398.32 | |
| Muramic acid | 1746054.00 | 1845585.93 | 9297455.95 | |
| Muscone | 185368947.13 | 441039796.56 | 231842538.07 | |
| N1-(1-benzyl-4-piperidyl)-4-chlorobenzene-1-sulfonamide | 1354675.82 | 3098835.18 | 11948789.99 | |
| N1-[2-oxo-6-(1H-pyrrol-1-yl)-2H-chromen-3-yl]acetamide | 5855741.50 | 10367970.44 | 56866388.45 | |
| N-(1,3-benzodioxol-5-yl)-7-chloroquinolin-4-amine | 29703887.86 | 28251623.41 | 12205692.45 | |
| N1-{4-[2-cyano-2-(4-nitrophenyl)vinyl]phenyl}acetamide | 49743783.56 | 45641354.97 | 18547224.06 | |
| N1-cyclooctyl-4-hydroxy-1-piperidinecarbothioamide | 2383403.20 | 3144702.02 | 3043190.05 | |
| N-[1-methyl-1-oxo-1-(2-thienyl)-lambda~6~-sulfanylidene]-N^-... | 22734585.26 | 31485054.28 | 7522111.81 | |
| N-[2-chloro-6-(trifluoromethoxy)phenyl]-2,2-dimethylpropanam... | 8649189.43 | 56263307.00 | 14130142.91 | |
| N-(2-hydroxyethyl)-N^-(4-methylphenyl)thiourea | 7463766.67 | 7753127.50 | 3033000.85 | |
| N4-Acetylcytidine | 188933647.12 | 109527365.72 | 7320280.56 | |
| N-(5-acetamidopentyl)acetamide | 326915468.95 | 291154795.10 | 67962727.65 | |
| N,5-diphenyl-1,3,4-oxadiazole-2-carboxamide | 373952860.40 | 107198439.59 | 16030676.46 | |
| N6-Acetyl-L-lysine | 68001792.21 | 163636388.85 | 11416829.29 | |
| N(6)-OH-Me-Adenosine | 8872402.33 | 13396204.98 | 6409172.42 | |
| N8-Acetylspermidine | 1094173.03 | 1320228.42 | 46475295.18 | |
| N-(9-oxodecyl)acetamide | 1012094.11 | 1029204.58 | 5185609.98 | |
| N-acetyl-D-glucosamine | 1361258.16 | 1800980.99 | 10256692.24 | |
| N-Acetyl-DL-phenylalanine | 146049684.10 | 153836581.98 | 158015361.70 | |
| N-Acetylhistamine | 1450704.90 | 1214684.54 | 1099557.26 | |
| N-Acetyl-L-carnosine | 24154458.69 | 39791587.13 | 8558296.93 | |
| N-Acetyl-L-histidine | 6550463.46 | 7569142.68 | 23105661.77 | |
| N-Acetyl-L-leucine | 83913857.27 | 91165958.57 | 91357035.28 | |
| N-butyl-N^-[5-(tert-butyl)-1,3,4-thiadiazol-2-yl]urea | 6722374.84 | 26029984.60 | 7559437.66 | |
| N-cyclooctylurea | 247824964.30 | 464212355.96 | 50934512.32 | |
| N-Desmethyltramadol | 96386707.88 | 115723312.87 | 11893865.43 | |
| N-Formylkynurenine | 74042865.62 | 55595746.67 | 89736102.41 | |
| Nicotinamide adenine dinucleotide (NAD+) | 35235941.44 | 38452649.59 | 3933819.51 | |
| Nicotinamide N-oxide | 38301918.40 | 35627519.21 | 11821093.32 | |
| Nicotinuric Acid | 8523622.88 | 10051771.49 | 23105661.77 | |
| Nitrosonornicotine | 116599143.51 | 630533653.17 | 45859651.59 | |
| NKK | 1611504.35 | 1621783.92 | 45039463.70 | |
| N-Methyldioctylamine | 4817329.31 | 12941161.94 | 5833670.27 | |
| N-METHYL (-)EPHEDRINE | 5724440.73 | 6159757.58 | 20273219.29 | |
| N,N^-di[4-(2,6-dimethylmorpholino)phenyl]thiourea | 5218584.82 | 23164362.96 | 2292877.48 | |
| N,N-Diethyldodecanamide | 32583118.96 | 32530217.92 | 16450483.16 | |
| N,N-dimethyl-5-nitro-6-[3-(trifluoromethyl)phenoxy]pyrimidin... | 1015271.22 | 1008179.47 | 2439656.49 | |
| N,N-Dimethyldecylamine N-oxide | 365612003.77 | 213468543.07 | 66472414.14 | |
| NNK | 3415504.95 | 3732500.98 | 28548556.01 | |
| N-Octyl-2-pyrrolidone | 436991177.15 | 255642102.54 | 111989714.24 | |
| Norbuprenorphine | 13226310.91 | 20876776.89 | 50028352.74 | |
| Norharman | 1785973352.25 | 1101570659.74 | 33960482.11 | |
| Noroxycodone-d3 | 52958264.66 | 56508365.66 | 16970383.01 | |
| N-P-Coumaroyl Spermidine | 55440823.23 | 77239283.35 | 16203179.25 | |
| N-Phenylacetylglutamine | 2564521.13 | 2472929.74 | 4752770.18 | |
| NPK | 5908234.69 | 13542647.35 | 6434715.60 | |
| N-Tetradecanamide | 47485963.93 | 151714299.28 | 102931847.20 | |
| N-α-L-Acetyl-arginine | 1994139.95 | 13353746.08 | 56929014.50 | |
| O-7460 | 11227117.91 | 10046129.49 | 160392774.93 | |
| Obscurolide A1 | 84872178.26 | 78567700.11 | 30889461.49 | |
| octadec-9-ynoic acid | 177247753.90 | 238272642.75 | 283282589.10 | |
| Octadecanamine | 94578794.71 | 412701919.76 | 130022572.63 | |
| Octopamine | 595765114.42 | 382594353.71 | 54873510.72 | |
| Oleamide | 83295432.08 | 69644988.50 | 33843686.28 | |
| Oleanolic acid | 2043789.79 | 12761709.30 | 7742053.75 | |
| Oleoyl ethylamide | 82507496.92 | 86618563.48 | 34250822.27 | |
| Oleoyl-L-alpha-lysophosphatidic acid | 174024757.68 | 24198724.46 | 59699103.57 | |
| Oxethazaine | 704396475.30 | 444501920.08 | 10322791.47 | |
| Oxymorphone | 20346756.00 | 19817812.07 | 110686784.75 | |
| Palmitic Acid | 220022272.32 | 210288408.68 | 158002655.03 | |
| Palmitoleic Acid | 95583872.62 | 95749303.15 | 53735534.91 | |
| Palmitoylethanolamide | 7783331.86 | 12031419.07 | 24580380.38 | |
| P-Aminohippuric Acid | 63074348.56 | 71399081.98 | 15474129.81 | |
| Pantetheine | 21545846.41 | 408147800.13 | 9684664.94 | |
| Pantothenic acid | 7581914564.25 | 4177844827.67 | 349667225.67 | |
| P-Coumaroyl Agmatine | 2670597.61 | 4975599.97 | 6457132.28 | |
| Phenyl[(3S)-3-(5-propyl-1,3,4-oxadiazol-2-yl)-1-pyrrolidinyl... | 2466238.88 | 2502030.04 | 32470002.27 | |
| Phenylglyoxylic acid | 33406446.07 | 28218262.61 | 40850358.86 | |
| Phenylpropiolic acid | 39932189.37 | 72256929.43 | 10029182.79 | |
| Phenytoin | 3553104.60 | 4228228.18 | 25250452.51 | |
| Phe-Phe | 3797809.18 | 4832069.40 | 39784454.25 | |
| Phe-Pro | 11797986827.75 | 8606049302.50 | 2955312052.00 | |
| p-Hydroxybenzaldehyde | 1141354982.25 | 809944237.89 | 87411607.21 | |
| Physostigmine | 3180576.98 | 4046745.90 | 13406186.62 | |
| Pilocarpine | 14331913.12 | 25878474.66 | 211609411.00 | |
| Pipecolic acid | 9748628.08 | 71759881.39 | 754873256.00 | |
| Pleuromutilin | 13387467.39 | 72820268.32 | 3483688.46 | |
| PLH | 5592245.98 | 5270148.28 | 49837268.95 | |
| PMH | 3928222.68 | 4997998.51 | 10462055.58 | |
| PMK | 138897619.59 | 329528127.32 | 8361722.41 | |
| PPK | 20820124.41 | 25322753.30 | 89868376.15 | |
| PQH | 2322913.88 | 7826800.68 | 36569571.87 | |
| Progesterone | 64072732.04 | 9111484.46 | 5267108.34 | |
| Proline | 3686804123.25 | 2051968380.22 | 446269034.03 | |
| Prolylleucine | 62694715.27 | 94554415.07 | 188089321.57 | |
| Prostaglandin E1 | 68818324.26 | 169065742.33 | 47875377.17 | |
| Prostaglandin E2-1-glyceryl ester | 2972595.38 | 4019136.09 | 7471052.86 | |
| Prostaglandin F2α-1-glyceryl ester | 5183032.26 | 6139279.85 | 93497249.15 | |
| Pyridostigmine | 589743466.50 | 691602782.40 | 248787286.90 | |
| Pyridoxal | 60239812.58 | 55903849.78 | 234952992.50 | |
| Pyridoxal 5^-phosphate | 19768361.56 | 91217626.63 | 19606269.29 | |
| Pyridoxamine | 1108957.73 | 1252908.52 | 80081539.35 | |
| Pyridoxamine 5-phosphate | 12497271.65 | 3091209.71 | 486283.68 | |
| Pyroglutamic acid | 21709196.34 | 32283913.52 | 2674291.09 | |
| QKK | 2154432.67 | 1739102.63 | 1252178.06 | |
| QLH | 1649440.43 | 1694948.27 | 34124999.73 | |
| QNK | 129529005.22 | 119829484.89 | 43921409.19 | |
| QPK | 9347166.65 | 10968968.50 | 20350799.23 | |
| Quinine | 182626363.44 | 36045600.83 | 8872919.38 | |
| Quinoline | 99730517.62 | 256972759.63 | 59018565.93 | |
| Quinoline-4-carboxylic acid | 43554218.32 | 40542383.22 | 91129690.24 | |
| Resiniferatoxin | 10249294.12 | 11981145.41 | 103128024.60 | |
| Riboflavin | 715173573.17 | 1039750209.44 | 152081766.10 | |
| RLH | 11323296.05 | 10111591.20 | 137117368.60 | |
| RLK | 1344075.48 | 1354029.43 | 22089432.76 | |
| RMH | 48082454.55 | 104664886.29 | 1322306.43 | |
| RNK | 1428907.35 | 1392932.94 | 82635476.38 | |
| RPH | 43472460.44 | 23610742.84 | 36430125.63 | |
| RQH | 3848757.78 | 3982899.21 | 31263336.91 | |
| Rutarin | 3846834.67 | 22143310.01 | 6187135.07 | |
| S-(5-Adenosy)-L-Homocysteine | 5799298.15 | 5542725.20 | 3413242.80 | |
| Safrole | 14588307.59 | 12193617.32 | 4914793.05 | |
| Sanguinarine | 5741032.10 | 5920686.44 | 9261720.33 | |
| Sebacic acid | 57315502.37 | 70694854.69 | 15828358.87 | |
| Shikonin | 74833996.95 | 38423178.86 | 3649329.83 | |
| Skatole | 60912044.95 | 117730943.40 | 53435399.67 | |
| SKK | 1641755.47 | 1426868.56 | 26331284.81 | |
| S-Lactoyglutathione | 853563.02 | 835245.64 | 442091.65 | |
| SLK | 1222093.28 | 1227267.30 | 11771489.29 | |
| S-(Methyl)Glutathione | 2918038.68 | 3703863.08 | 31771743.34 | |
| SMK | 3345024.05 | 3935622.86 | 41586529.36 | |
| (S)-Nicotine | 5432883.14 | 476243625.56 | 92864613.88 | |
| Sodium cholate | 26351207.27 | 25455272.08 | 7643777.54 | |
| Sodium Dehydrocholate | 1323668.01 | 8453486.29 | 699547.47 | |
| Sodium [dodecanoyl(methyl)amino]acetate | 23389478.14 | 20152140.65 | 4330337.74 | |
| Solanidine | 338534358.98 | 217779618.07 | 8572191.41 | |
| SPB 16:1;2O | 636060785.30 | 1232008942.28 | 345140403.80 | |
| SPB 17:1;2O | 9752725.21 | 83568716.11 | 19078912.40 | |
| Spermidine | 1077958.72 | 188372794.30 | 70626160.56 | |
| SPK | 20689219.33 | 4369549.69 | 843412.79 | |
| Stanozolol | 17055647.48 | 20784487.86 | 45718665.35 | |
| Stearamide | 75253255.46 | 175274844.18 | 321684091.50 | |
| Styrene | 332224026.20 | 341826911.59 | 551643624.53 | |
| Tacrolimus | 227129519.30 | 300142778.39 | 17113200981.33 | |
| Taurochenodeoxycholic Acid (sodium salt) | 27752506.99 | 16674906.07 | 2462555.38 | |
| Taurodeoxycholic Acid (sodium salt) | 97636085.81 | 69526652.52 | 8617806.58 | |
| Tauroursodeoxycholic acid | 10483876.53 | 9381070.19 | 160484177.80 | |
| Testosterone | 17409597.89 | 157531369.86 | 13148915.62 | |
| Tetrahydrocorticosterone | 15103813.82 | 18682188.09 | 3233919.12 | |
| Thiamine | 7957749.02 | 304073588.94 | 29579053.91 | |
| THJ2201 N-(5-hydroxypentyl) metabolite | 17100171.44 | 25134020.01 | 10951034.68 | |
| THJ2201 N-pentanoic acid metabolite | 4293158.44 | 5539779.06 | 84186909.92 | |
| Threonine | 35198525.72 | 58858571.26 | 270075544.27 | |
| Thr-Leu | 4141357.38 | 4177821.00 | 26015279.03 | |
| Thymine | 67018535.91 | 63094454.28 | 25529279.58 | |
| TKK | 1738910.03 | 1398507.44 | 124255436.87 | |
| TLH | 12110255.60 | 12960521.72 | 40884957.54 | |
| TLK | 1438751.14 | 1477028.93 | 34070171.45 | |
| TMK | 12053939.80 | 139232149.39 | 671544701.07 | |
| TNK | 1447591.59 | 1592008.31 | 21727430.68 | |
| TQH | 21406705.36 | 28253228.13 | 24491635.01 | |
| trans-Cinnamaldehyde | 375395628.52 | 298507166.02 | 72811435.01 | |
| Triacanthine | 162888565.53 | 489663060.86 | 203589026.83 | |
| Trioxsalen | 1154983376.45 | 1149251409.64 | 12511120.58 | |
| Tryptophanol | 12108380.88 | 39049992.59 | 13133080.16 | |
| Tyramine | 85992055.79 | 92368273.73 | 27378463.22 | |
| UDP | 6290950.75 | 2890582.83 | 1616960.79 | |
| UMP | 3170069.74 | 3342291.10 | 10160193.35 | |
| Undecanedioic acid | 162901904.43 | 165634187.99 | 14128133.25 | |
| UR-144 N-(5-hydroxypentyl) β-D-glucuronide | 7238666.00 | 8096620.09 | 35715809.71 | |
| Urocanic acid | 424935700.45 | 367241338.21 | 102437821.66 | |
| Valine | 332603167.45 | 423543365.93 | 1242442289.33 | |
| Valproic acid | 9551742.14 | 6878866.26 | 37247586.70 | |
| Valylproline | 560681630.90 | 307224305.48 | 177849572.10 | |
| Vanillin | 114365463.78 | 615761392.84 | 23855499.83 | |
| Veratramine | 1771844.81 | 2225439.35 | 4313506.13 | |
| Virginiamycin | 2151228.86 | 2168693.42 | 29651957.65 | |
| Vitamin B2 | 15839543.67 | 14580821.41 | 13883312.22 | |
| Vitexin | 208160257.20 | 146546035.36 | 9593148.15 | |
| VLH | 37014240.35 | 19839888.81 | 45561614.92 | |
| WKK | 1181056.96 | 2024178.14 | 9088123.97 | |
| WLH | 4087702.71 | 5068815.40 | 17315974.95 | |
| WLK | 9114154.21 | 8987206.01 | 170024236.90 | |
| WNH | 13548304.68 | 37026928.70 | 2731621.38 | |
| WNK | 5405852.47 | 36885371.18 | 35987988.88 | |
| YKK | 9315324.26 | 10291517.23 | 77573561.41 | |
| YLH | 2797854.13 | 5312712.49 | 522321698.90 | |
| YLK | 8275176.06 | 7263005.38 | 56374524.65 | |
| YNK | 1971557.28 | 2244431.18 | 30178743.91 | |
| YPH | 6522524.31 | 9287576.99 | 59317908.43 | |
| α-Aspartylphenylalanine | 3273518832.75 | 2643648898.50 | 57069051.84 | |
| Υ-L-Glutamyl-L-glutamic acid | 19238812.97 | 18765278.33 | 128437470.93 | |
| ω-Hydroxynorfentanyl | 46678235.89 | 51704361.89 | 8766520.43 |
Factors:
| F1 | Treatment:co-culture | Sample source:bacteria cell |
| F2 | Treatment:monoculture | Sample source:bacteria cell |
| F3 | Treatment:NA | Sample source:quality control |