Data for ST003622
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 |
|---|---|---|---|---|---|---|
| 10-Formyltetrahydrofolate | 23469.71 | 22602.21 | 23182.09 | 22485.33 | ||
| 11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-... | 30522.37 | 27472.28 | 30322.81 | 30597.96 | ||
| 1,2,3-Trihydroxybenzene | 19100.15 | 16384.85 | 19323.63 | 16140.76 | ||
| 1,2-Dihydrosantonin | 19352.62 | 18629.88 | 21933.22 | 25307.50 | ||
| 1-(3,4-Dihydroxyphenyl)-5-hydroxy-3-decanone | 23761.43 | 23158.60 | 19422.53 | 21562.45 | ||
| 1,3-Benzenedisulfonamide | 83833.54 | 79432.08 | 78317.08 | 80648.19 | ||
| 16-Methoxy-2,3-dihydro-3-hydroxytabersonine | 11141.47 | 10953.25 | 10821.57 | 11135.91 | ||
| 17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol | 21315.10 | 20839.14 | 20715.65 | 20100.81 | ||
| 1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione | 27018.45 | 26832.43 | 25177.78 | 24085.99 | ||
| 1-Aminocyclopropane-1-carboxylate | 16607.61 | 15793.61 | 14744.76 | 14414.18 | ||
| 1-Hydroxy-2-naphthoate | 30508.95 | 25840.86 | 27886.31 | 27346.50 | ||
| 1-Linoleoylglycerophosphocholine | 33153.68 | 55588.51 | 20975.87 | 35535.38 | ||
| 1-Palmitoylglycerophosphocholine | 49106.19 | 68109.11 | 35447.80 | 62142.54 | ||
| 1-Palmitoyllysophosphatidylcholine | 24539.13 | 31502.00 | 18672.10 | 31732.04 | ||
| 1-Phenylethylamine | 26068.86 | 24372.37 | 24374.11 | 24685.88 | ||
| (1-Ribosylimidazole)-4-acetate | 30916.51 | 30640.94 | 23590.37 | 23892.38 | ||
| 2,3,9,10-Tetrahydroxyberberine | 13815.26 | 13381.79 | 13462.93 | 14421.49 | ||
| 2,3-Dihydroxybenzoate | 87913.45 | 98701.07 | 83877.75 | 69151.95 | ||
| 2,3-Dimethylmaleate | 26503.23 | 24134.71 | 23871.55 | 22631.64 | ||
| 2,4,6-Trihydroxybenzophenone | 10863.51 | 9839.52 | 10745.67 | 9918.01 | ||
| 2,4-Dioxotetrahydropyrimidine D-ribonucleotide | 11317.21 | 10267.29 | 10873.77 | 10741.42 | ||
| 2,6-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine | 24665.25 | 28242.98 | 20875.96 | 20516.64 | ||
| 2,6-Diamino-7-hydroxy-azelaic acid | 10952.83 | 11108.73 | 10938.41 | 11766.29 | ||
| 2-(6-hydroxyhexyl)-3-methylidenebutanedioic acid | 13481.40 | 8929.35 | 10380.66 | 13863.57 | ||
| 2-Amino-5-(5-nitro-2-furyl)-1,3,4-thiadiazole | 14051.26 | 13300.57 | 13146.98 | 12787.63 | ||
| 2-Chlorobenzoate | 20823.98 | 15636.60 | 20249.48 | 15743.93 | ||
| 2-Dimethylamino-5,6-dimethylpyrimidin-4-ol | 77800.60 | 61106.12 | 70351.21 | 68169.82 | ||
| 2-Ethylhexyl phthalate | 9674.79 | 9417.06 | 7092.89 | 10027.14 | ||
| 2-Furoate | 40863.05 | 38575.01 | 35792.98 | 37938.04 | ||
| 2-Hydroxybiphenyl | 45878.94 | 44521.52 | 40071.65 | 42821.07 | ||
| 2-Hydroxycinnamic acid | 293900.01 | 309228.54 | 247115.45 | 242442.18 | ||
| 2-Hydroxymethylclavam | 20920.46 | 17882.15 | 17709.90 | 18203.92 | ||
| 2-Hydroxymuconate semialdehyde | 11654.02 | 10149.80 | 10515.36 | 9898.22 | ||
| 2-Maleylacetate | 124750.98 | 136222.03 | 55234.83 | 127259.08 | ||
| 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate | 18110.67 | 16910.70 | 15769.53 | 17016.46 | ||
| 2^^^-N-Acetyl-6^^^-deamino-6^^^-hydroxyparomomycin II | 69705.25 | 62358.01 | 71434.28 | 68734.16 | ||
| 2-Naphthaleneacetic acid, 1,2,3,7,8,8a-hexahydro-8,8a-dimeth... | 11211.64 | 10693.00 | 10198.13 | 11628.85 | ||
| 2-Naphthylamine | 28839.02 | 27267.11 | 28986.12 | 26862.97 | ||
| 2^-Norberbamunine | 32830.17 | 29951.43 | 30409.54 | 30740.10 | ||
| 2-Oxoglutarate | 20895.46 | 15678.76 | 22607.69 | 18440.91 | ||
| 2-Oxosuberate | 140043.09 | 131786.68 | 140613.93 | 129828.35 | ||
| 2-Phenylacetamide | 236612.32 | 249778.31 | 194836.82 | 196764.73 | ||
| 2-Protocatechoylphloroglucinolcarboxylate | 34356.00 | 34072.72 | 21878.92 | 34137.21 | ||
| (2S)-2-((1S)-1-Hydroxypentyl)-4-methoxy-2,3-dihydropyran-6-o... | 160526.87 | 27535.01 | 127466.26 | 112033.20 | ||
| (2S,3S)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyr... | 228601.06 | 171489.31 | 229238.89 | 243163.87 | ||
| 2-trans,6-trans-Farnesal | 16576.85 | 18953.19 | 13478.15 | 13973.55 | ||
| 3-(1H-indol-3-ylmethyl)-6,18-dimethyl-12-(1-phenylethyl)-9,1... | 27025.04 | 15035.76 | 32149.55 | 21036.02 | ||
| 3-(2-amino-2-oxoethyl)-5-methyl-hexanoic acid | 43530.75 | 20509.69 | 22976.10 | 22137.02 | ||
| 3,3^-Dimethylbisphenol A | 34849.86 | 36811.52 | 20515.70 | 30974.13 | ||
| 3,4-Dihydroxy-L-phenylalanine | 20398.27 | 19690.20 | 19151.53 | 19897.58 | ||
| 3,5-dihydroxydecanoic acid | 80885.89 | 82695.09 | 67579.66 | 74615.18 | ||
| 3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxopropanoic acid | 62051.49 | 55280.04 | 57080.62 | 57398.63 | ||
| 3,9-Dihydroxypterocarpan | 14161.40 | 11864.80 | 15101.77 | 11809.07 | ||
| 3-Acetylindole | 773713.11 | 640990.01 | 734724.64 | 809450.60 | ||
| 3-Buten-1-amine | 933135.57 | 896523.39 | 831076.89 | 830848.37 | ||
| (3E)-4,8-Dimethylnona-1,3,7-triene | 7452.36 | 2627.84 | 15800.02 | 6949.04 | ||
| 3-FORMYLINDOLE | 55729.34 | 53352.35 | 55631.95 | 51937.80 | ||
| 3-Hydroxyanthranilate | 88266.53 | 73664.45 | 83533.58 | 80461.63 | ||
| 3-Hydroxyanthranilic acid | 19797.23 | 26536.47 | 20225.74 | 21817.99 | ||
| 3-Hydroxyquinine | 25573.26 | 23450.74 | 23337.22 | 24529.42 | ||
| 3-O-Ethyl-L-ascorbic acid | 23321.92 | 23168.76 | 19304.42 | 21046.38 | ||
| 3-Phosphonooxypyruvate | 560899.33 | 551402.02 | 554195.29 | 547926.18 | ||
| (3S,5S)-Carbapenam-3-carboxylic acid | 315012.71 | 284449.34 | 285451.06 | 299412.79 | ||
| 3-Sulfocatechol | 39795.71 | 30216.12 | 43677.87 | 32633.70 | ||
| 4-(3-Methylbut-2-enyl)-L-tryptophan | 10571.86 | 7279.33 | 10638.51 | 11512.24 | ||
| 4,4^-Biphenyldithiol | 155632.74 | 155282.83 | 126999.47 | 133727.02 | ||
| 4,8-Dihydroxyquinoline | 23466.77 | 22431.69 | 20583.47 | 20774.87 | ||
| 4-Bromophenol | 48250.86 | 48008.93 | 45423.80 | 45544.24 | ||
| 4-Chloroacetanilide | 35370.49 | 30795.86 | 34779.71 | 32627.38 | ||
| 4-Chlorophenol | 43675.64 | 33104.79 | 46795.60 | 39604.23 | ||
| 4-Chlorophenylacetonitrile | 28383.59 | 25813.10 | 22849.93 | 23386.30 | ||
| 4-Fluorocyclohexadiene-cis,cis-1,2-diol | 31969.78 | 31135.45 | 26765.77 | 26850.57 | ||
| 4-Formyl-antipyrine | 38701.81 | 35343.97 | 37513.66 | 35422.47 | ||
| 4-Isopropylbenzaldehyde | 40022.09 | 36817.74 | 36266.52 | 38026.70 | ||
| 4-Methylburimamide | 260308.19 | 167163.63 | 263170.20 | 290483.53 | ||
| 4-Methylthio-2-oxobutanoic acid | 34147.45 | 29162.11 | 33779.54 | 27575.37 | ||
| 4-Oxocyclohexanecarboxylate | 21683.10 | 21411.14 | 22022.29 | 20401.68 | ||
| 4-Oxoproline | 21813.31 | 22741.11 | 17270.92 | 19023.74 | ||
| 4-Prenyldihydropinosylvin | 220916.17 | 197938.95 | 215254.25 | 213259.24 | ||
| 4-Prenylresveratrol | 73009.37 | 67254.50 | 67712.16 | 69791.94 | ||
| 4-Pyridoxate | 51727.39 | 47462.59 | 47467.06 | 50689.67 | ||
| 4-Pyridoxolactone | 27318.10 | 29107.32 | 22866.95 | 23052.26 | ||
| 5,10-Methylenetetrahydromethanopterin | 33464.81 | 33659.04 | 32359.51 | 30540.86 | ||
| 5-(3-Buten-1-ynyl)-2,2^-bithiophene | 16202.86 | 13577.81 | 16178.10 | 14787.09 | ||
| 5,6-Dihydrouracil | 28587.73 | 29457.95 | 27646.60 | 22854.04 | ||
| 5-Acetamidopentanoate | 12198.95 | 9966.21 | 17749.33 | 9753.02 | ||
| 5-Acetylamino-6-formylamino-3-methyluracil | 21949.54 | 19746.40 | 22703.34 | 19895.50 | ||
| 5^-AMP / Adenosine 5^-monophosphate | 140968.83 | 137802.70 | 100507.45 | 146753.69 | ||
| (5-L-Glutamyl)-L-glutamine | 15987.97 | 11976.67 | 15996.14 | 18081.96 | ||
| 5-N-Acetyl-7-N-(D-alanyl)-legionaminic acid | 24248.04 | 22659.15 | 23221.17 | 24187.78 | ||
| 5-O-Methylgenistein | 10442.12 | 8906.95 | 10430.49 | 11075.41 | ||
| 5-Oxo-1,2-campholide | 9394.89 | 6362.08 | 9448.93 | 11116.84 | ||
| 6-Benzylaminopurine | 14591.30 | 10913.32 | 16331.17 | 13888.40 | ||
| 6beta-Hydroxy-17beta-estradiol | 83740.05 | 59036.82 | 82568.47 | 88271.22 | ||
| 6^^^-Deamino-6^^^-hydroxyparomomycin II | 11629.99 | 10634.98 | 11634.84 | 11563.35 | ||
| 6^^^-Deamino-6^^^-oxoparomomycin II | 175704.40 | 154476.32 | 174623.68 | 169785.00 | ||
| 6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-2H... | 754080.32 | 767124.55 | 721497.82 | 712507.90 | ||
| 6-Hydroxyindolelactate | 14892.77 | 19425.26 | 9784.77 | 11819.78 | ||
| 6-Paradol | 18106.43 | 14934.92 | 17892.08 | 18194.00 | ||
| 6-Phospho-2-dehydro-D-gluconate | 22391.56 | 19694.95 | 20322.20 | 18934.27 | ||
| 7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C | 53822.42 | 55600.89 | 51238.95 | 51027.63 | ||
| 8,12-Diethyl-3-vinylbacteriochlorophyllide d | 441807.90 | 404346.87 | 446229.16 | 430507.08 | ||
| 8-Amino Caprylic acid | 989086.43 | 701810.70 | 1143095.40 | 789563.98 | ||
| 8-Azaadenosine | 134570.36 | 84751.31 | 104423.04 | 161735.62 | ||
| 9,10-Dihydroergocornine methanesulfonate | 22312.34 | 18856.09 | 21729.57 | 20535.13 | ||
| 9-(2,3-dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-... | 132424.60 | 124278.75 | 126241.58 | 123682.73 | ||
| 9-[[3-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)methyl]oxiran-... | 275584.72 | 272853.76 | 207150.78 | 234322.81 | ||
| 9-Fluoro-16alpha-methylpregn-4-ene-3,11,20-trione | 101060.21 | 37691.64 | 38412.35 | 38250.38 | ||
| AA861 | 64352.29 | 58035.46 | 61088.38 | 62606.08 | ||
| Abscisic acid glucose ester | 16069.66 | 20379.85 | 10781.09 | 13880.83 | ||
| Acetylcarnitine | 3245698.73 | 2590817.97 | 3235200.10 | 2812275.97 | ||
| Acetyl phosphate | 70930.27 | 71012.00 | 68188.44 | 69278.45 | ||
| Actinorhodin | 88275.46 | 80820.15 | 78624.18 | 82515.33 | ||
| Acutumidine | 37188.35 | 38522.41 | 29590.98 | 32629.17 | ||
| Adenine | 90568.83 | 58813.45 | 71833.99 | 111536.21 | ||
| Adenosine | 1090714.03 | 678002.41 | 827717.20 | 1304552.19 | ||
| Adenosine 5^-phosphate disodium | 42786.13 | 38029.27 | 30772.46 | 42894.72 | ||
| Aflatoxin B1exo-8,9-epoxide-GSH | 24311.45 | 21974.41 | 20695.27 | 21810.34 | ||
| afzelechin | 60436.87 | 53533.49 | 56146.16 | 53807.10 | ||
| Agroclavine | 635414.48 | 554381.24 | 588993.90 | 604897.93 | ||
| Akuammine | 12225.35 | 10886.52 | 13467.31 | 14297.84 | ||
| Alangicine | 14768.75 | 13227.47 | 14587.63 | 15107.19 | ||
| Alantolactone | 58415.47 | 52594.64 | 73056.51 | 58261.72 | ||
| Albendazole-beta-hydroxysulphone | 27048.24 | 28481.23 | 21463.52 | 22160.98 | ||
| Allophanic acid methyl ester | 25603.09 | 27922.20 | 21904.81 | 21757.95 | ||
| all-trans-Retinoyl-beta-glucuronide | 9198.62 | 12062.76 | 5719.99 | 7867.66 | ||
| Allysine (not validated) | 83114.06 | 51207.91 | 113843.53 | 78256.52 | ||
| Aloperine | 11361.26 | 11102.72 | 11207.47 | 11260.62 | ||
| alpha-Ionone | 22333.83 | 13508.54 | 27731.90 | 20663.95 | ||
| Amabiline | 34388.49 | 32088.72 | 33213.70 | 32915.72 | ||
| Amaryllisine | 26997.36 | 35924.62 | 16871.19 | 22724.72 | ||
| Ametryn | 33291.67 | 21863.17 | 33956.29 | 37695.48 | ||
| Amidosulfuron | 82415.53 | 78498.95 | 59297.22 | 82322.89 | ||
| Aminoimidazole ribotide | 6034.58 | 6767.34 | 2787.25 | 6156.10 | ||
| Angiotensin (5-7) | 10939.29 | 12059.86 | 7224.18 | 9479.03 | ||
| Anthopleurine | 77425.90 | 63102.08 | 75306.27 | 82046.69 | ||
| Anthranilate | 20609.08 | 21717.35 | 9638.10 | 21413.74 | ||
| Antipyrine | 22742.48 | 18195.07 | 22365.75 | 23640.08 | ||
| Apiole | 24713.41 | 22596.97 | 21980.22 | 22090.34 | ||
| Apoatropine | 75624.51 | 50472.84 | 75168.71 | 82678.04 | ||
| Aprobarbital | 75664.32 | 75274.99 | 87559.62 | 70993.37 | ||
| Arg-OEt | 77916.40 | 75868.61 | 62941.49 | 69291.10 | ||
| Arnebinol | 39145.91 | 25762.98 | 39407.25 | 42317.63 | ||
| Aromatic aldehyde | 25482.88 | 24801.90 | 23579.86 | 22962.20 | ||
| Aryl sulfate | 24913.40 | 28607.34 | 11513.07 | 24361.38 | ||
| Aspartame | 37638.60 | 39907.88 | 41780.73 | 31261.69 | ||
| Asperuloside | 51053.07 | 45313.78 | 48412.00 | 50873.29 | ||
| Aspulvinone E | 63783.58 | 58642.68 | 60668.02 | 55697.32 | ||
| Atrazine-desethyl | 1179487.48 | 1115386.14 | 1189610.25 | 1099311.75 | ||
| Azelaic acid | 34322.44 | 27971.57 | 33809.82 | 38046.36 | ||
| Balfourodine | 19236.60 | 12194.70 | 24741.02 | 17168.64 | ||
| Balfourodinium | 405351.22 | 374277.86 | 392891.96 | 393796.89 | ||
| Barbaloin | 24783.57 | 24464.23 | 23395.05 | 23044.74 | ||
| Beclomethasone dipropionate | 15363.05 | 12531.40 | 17256.34 | 15962.27 | ||
| Belladine | 45878.95 | 30643.64 | 46153.41 | 50972.91 | ||
| Belladonnine | 12166.54 | 20343.42 | 7584.07 | 13199.14 | ||
| Benazepril | 30650.11 | 26569.11 | 26215.09 | 25947.04 | ||
| Benquinox | 15052.63 | 20994.83 | 12685.31 | 13567.72 | ||
| Benzo[b]fluorene | 927195.43 | 764524.23 | 806973.58 | 850094.37 | ||
| Benzoic acid | 58375.09 | 61465.35 | 48740.60 | 48698.26 | ||
| Benzonitrile | 84256.90 | 83969.57 | 69329.71 | 76872.51 | ||
| Benzyl 2-methyl-3-oxobutanoate | 38165.39 | 34631.39 | 36681.03 | 34430.46 | ||
| Bergenin | 394171.51 | 379695.81 | 377845.71 | 367180.40 | ||
| beta-Cyclopiazonate | 13465.68 | 10777.46 | 13077.39 | 13706.09 | ||
| Betaine | 3747065.06 | 3574726.29 | 3301776.36 | 3275151.40 | ||
| Betamethasone | 64137.43 | 59888.38 | 62582.47 | 66362.12 | ||
| beta-Peltatin A methyl ether | 63718.48 | 62036.79 | 61208.10 | 61411.60 | ||
| Bethanechol chloride | 12639.95 | 12750.30 | 11185.21 | 12371.21 | ||
| Biotin | 8413.05 | 8446.77 | 8376.12 | 8161.22 | ||
| Biperiden | 10218.67 | 9925.23 | 10920.53 | 9631.12 | ||
| Bisphenol B | 13836.99 | 13587.89 | 13255.29 | 13686.87 | ||
| Buchananine | 27554.70 | 30829.06 | 12614.19 | 25642.70 | ||
| Butanoic acid | 20461.44 | 16574.83 | 18652.37 | 18414.16 | ||
| Butirosin A | 33803.97 | 31825.54 | 32120.03 | 31805.52 | ||
| C1^-C9-Glycosylated UWM6 | 132737.87 | 126883.76 | 125700.50 | 125272.21 | ||
| C8H12O4 | 605306.99 | 500031.75 | 534101.15 | 551222.07 | ||
| C9H8O2 | 35902.38 | 36464.46 | 33891.63 | 33747.27 | ||
| Caffeoylcholine | 11944.70 | 9003.88 | 18079.53 | 9156.00 | ||
| Callicarpone | 171527.81 | 122282.55 | 167442.11 | 178424.37 | ||
| Carnitine | 966606.22 | 777449.71 | 989737.10 | 901934.38 | ||
| Carvedilol | 75411.64 | 71600.14 | 71062.50 | 74192.53 | ||
| Cassiaside B2 | 30171.03 | 27504.56 | 34783.34 | 28173.59 | ||
| Catalposide | 9916.35 | 8937.07 | 10181.39 | 10092.03 | ||
| Cephalomannine | 34142.61 | 32265.42 | 36163.07 | 31425.03 | ||
| Cetraxate | 52471.52 | 47804.54 | 50651.79 | 51539.11 | ||
| Chalcone | 122221.07 | 115761.77 | 115005.37 | 116020.41 | ||
| Chloral hydrate | 42180.04 | 40307.24 | 35574.57 | 41708.88 | ||
| Chlorphenesin | 1352734.56 | 1322951.04 | 1079313.01 | 1213555.41 | ||
| Choline | 963218.35 | 946541.81 | 750971.26 | 759289.28 | ||
| Cimetidine | 92186.39 | 84880.00 | 86616.53 | 88218.50 | ||
| Cinoxacin | 167332.43 | 198232.85 | 153398.54 | 133575.57 | ||
| cis-3,4-Leucopelargonidin | 38594.70 | 35898.79 | 36726.33 | 36207.67 | ||
| cis-Aconitate | 35421.79 | 28277.81 | 37720.20 | 32142.90 | ||
| Citrate | 21917.96 | 16414.44 | 23726.03 | 18913.92 | ||
| Clidinium | 42801.55 | 34007.01 | 40589.01 | 45664.38 | ||
| CMP-N-acetylneuraminate | 69637.50 | 62713.69 | 59832.50 | 69084.29 | ||
| CocamidopropylBetaine | 16802.52 | 16158.80 | 16787.61 | 16323.51 | ||
| Coelichelin | 19580.73 | 17971.76 | 15567.51 | 20110.56 | ||
| Columbamine | 446174.47 | 367312.26 | 420387.27 | 428207.30 | ||
| Compactin diol lactone | 53146.66 | 52253.24 | 54969.46 | 52895.79 | ||
| Compound III(S) | 20811.63 | 18155.91 | 20095.12 | 20464.11 | ||
| Convoline | 12610.33 | 11487.70 | 12451.46 | 12274.23 | ||
| Coumarin | 18373.35 | 19549.92 | 16006.72 | 15076.02 | ||
| Creatine | 933762.63 | 700276.76 | 903876.47 | 930786.88 | ||
| Cyanazine | 15637.67 | 14789.24 | 14340.33 | 14495.27 | ||
| Cyproheptadine | 548329.47 | 380377.50 | 544516.11 | 581204.17 | ||
| Cytarabine | 30444.85 | 28832.91 | 23614.19 | 28362.45 | ||
| Cytosine | 21978.05 | 21376.83 | 17698.22 | 21008.98 | ||
| DAMGO | 12083.05 | 6991.80 | 11818.21 | 14012.08 | ||
| Daphnetoxin | 721272.47 | 607091.55 | 863268.87 | 707302.75 | ||
| Deacetylcephalosporin C | 23531.62 | 31029.27 | 19878.40 | 22980.55 | ||
| Deamino-alpha-keto-demethylphosphinothricin | 59778.09 | 57163.15 | 57196.58 | 56679.10 | ||
| delta-3,4,5,6-Tetrachlorocyclohexene | 19249.20 | 16588.55 | 17842.93 | 17576.36 | ||
| delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine | 16753.76 | 16476.82 | 15756.76 | 15634.66 | ||
| Deoxycytidine | 17456.22 | 15441.05 | 16529.88 | 16317.71 | ||
| Deoxymannojirimycin | 62459.65 | 56362.22 | 61352.26 | 58174.50 | ||
| Deoxypumiloside | 16675.62 | 16350.19 | 15785.08 | 16431.07 | ||
| Deoxyvasicinone | 18541.64 | 15632.63 | 17354.55 | 18689.95 | ||
| D-Erythrose | 79654.12 | 78314.36 | 72039.40 | 68394.70 | ||
| D-Galactose 6-sulfate | 21650.40 | 18947.88 | 20410.96 | 18890.57 | ||
| Diazoxide | 55368.49 | 47676.03 | 54356.72 | 47264.84 | ||
| Dibucaine | 365059.43 | 333287.55 | 360744.85 | 356990.37 | ||
| Dibutyl phthalate | 27531.63 | 27488.54 | 28167.01 | 26753.97 | ||
| Dicyclohexylamine | 155821.24 | 166943.72 | 120243.63 | 116935.59 | ||
| Didecyldimethylammonium | 431914.41 | 404775.37 | 409680.20 | 394955.73 | ||
| Diethanolamine | 102192.86 | 84411.80 | 98285.55 | 90575.60 | ||
| Diethyl phthalate | 39639.93 | 39577.74 | 38958.05 | 38850.86 | ||
| Difenzoquat | 26366.26 | 23026.77 | 20045.09 | 23182.64 | ||
| Dihydro-4,4-dimethyl-2,3-furandione | 22393.04 | 18287.21 | 19791.03 | 21689.40 | ||
| Dihydro-O-methylsterigmatocystin | 81071.58 | 74095.25 | 75402.88 | 74908.08 | ||
| Dimethylcaffeic acid | 31065.58 | 31082.42 | 30544.18 | 29778.20 | ||
| Diphenadione | 29740.60 | 30551.17 | 30989.84 | 29350.26 | ||
| Diphenhydramine | 295397.52 | 256653.15 | 271856.08 | 281223.47 | ||
| Disodium malate | 56470.85 | 39562.86 | 61049.73 | 49263.94 | ||
| (-)-Ditryptophenaline | 11396.31 | 10636.20 | 10462.87 | 10845.31 | ||
| dl-alpha-Tocopheryl sodium phosphate | 24504.22 | 25096.45 | 36496.59 | 23677.35 | ||
| DL-Phenylalanine | 4627239.68 | 4754280.84 | 4284045.12 | 4204666.07 | ||
| DL-pipecolic acid | 119933.85 | 102918.06 | 103339.05 | 110785.96 | ||
| D-Lysopine | 47273.04 | 45419.77 | 53532.83 | 34814.69 | ||
| Doxazosin | 17913.47 | 17233.95 | 17336.48 | 17408.29 | ||
| Doxefazepam | 21928.96 | 19909.28 | 17337.25 | 21235.18 | ||
| D-Phe-Pro-Arg-CH2Cl | 32290.19 | 30008.23 | 30382.02 | 31951.06 | ||
| D-Ribose | 82856.25 | 81103.99 | 69110.61 | 74581.32 | ||
| D-Tryptophan | 3382795.96 | 3183983.53 | 3329268.69 | 3119604.55 | ||
| E-64 | 179185.97 | 165344.50 | 170043.31 | 173505.41 | ||
| Econazole | 12507.09 | 12072.57 | 11772.76 | 10157.69 | ||
| Elaeocarpidine | 47694.33 | 47311.38 | 55032.79 | 45346.36 | ||
| Emetamine | 9424.96 | 12436.81 | 4675.23 | 9312.22 | ||
| Epoxiconazole | 49513.85 | 47957.66 | 49204.46 | 45375.63 | ||
| Estazolam | 38729.05 | 46703.76 | 16113.94 | 41226.58 | ||
| Estra-1,3,5(10),16-tetraen-3-ol benzoate | 29451.38 | 27574.38 | 27427.48 | 28776.15 | ||
| Estradiol-17beta 3-sulfate | 45164.00 | 35679.28 | 44457.10 | 45814.87 | ||
| Estramustine | 185767.00 | 167953.38 | 197093.74 | 172410.90 | ||
| Etacelasil | 12519.34 | 9887.66 | 10181.02 | 10641.80 | ||
| Ethamoxytriphetol | 828722.27 | 547784.12 | 812390.88 | 880288.44 | ||
| Ethyl 3-oxohexanoate | 44922.75 | 42997.77 | 45581.81 | 42594.39 | ||
| Ethylketocyclazocine | 475880.21 | 429689.10 | 457954.38 | 453549.76 | ||
| Ethylmorphine | 214450.10 | 199794.41 | 203135.52 | 206599.84 | ||
| Eucommin A | 23121.39 | 22550.80 | 22338.58 | 22295.62 | ||
| Fagaronine | 10415.98 | 15178.10 | 10045.40 | 9643.59 | ||
| Fagomine | 22575.14 | 24711.08 | 26925.91 | 27245.81 | ||
| Febrifugine | 9297.94 | 10677.11 | 8660.83 | 8608.92 | ||
| Fenothiocarb sulfoxide | 17001.87 | 10347.18 | 13072.34 | 19642.96 | ||
| Fenthion | 31689.74 | 28637.80 | 28683.10 | 27177.83 | ||
| Fluconazole | 9148.86 | 14648.49 | 8745.86 | 8356.60 | ||
| Fluocinonide | 96219.17 | 93840.62 | 93489.81 | 92333.66 | ||
| Fluorene | 451857.19 | 458617.19 | 420214.26 | 407368.26 | ||
| Formimidoyl-fortimicin A | 21076.40 | 18141.81 | 20776.17 | 21249.54 | ||
| Fosphenytoin | 34629.90 | 32935.89 | 30943.00 | 32118.08 | ||
| Funebrine | 40511.08 | 48176.36 | 24640.82 | 37918.82 | ||
| Furcatin | 14302.57 | 13845.88 | 14288.74 | 15225.73 | ||
| Furofoline I | 32125.44 | 35223.41 | 24432.43 | 30714.60 | ||
| GA | 10388.29 | 9649.29 | 9705.83 | 9995.97 | ||
| Gabaculine | 229584.34 | 273085.87 | 146302.18 | 209077.85 | ||
| Gamma-Glu-Leu | 859550.43 | 775867.89 | 802419.45 | 834275.45 | ||
| gamma-Glutamylmethionine | 36144.98 | 38545.73 | 32056.03 | 30657.35 | ||
| Gartanin | 40746.95 | 30769.47 | 39446.35 | 39925.20 | ||
| Gelsemicine | 117956.69 | 75518.91 | 118818.53 | 133902.74 | ||
| Gemcitabine | 18391.04 | 21259.15 | 16589.49 | 15057.89 | ||
| Gentamicin A | 97133.88 | 59637.06 | 94476.17 | 107332.73 | ||
| Geranylgeranyl diphosphate | 99837.89 | 96915.42 | 98066.71 | 95773.52 | ||
| Gibberellin A3 | 14016.66 | 13192.08 | 13458.77 | 13812.05 | ||
| Ginkgolide B | 18545.44 | 18580.13 | 18385.74 | 18389.78 | ||
| Glutamyl-glutamic acid | 11024.67 | 4541.72 | 6804.80 | 5418.72 | ||
| Glutathione | 13067.26 | 2691.48 | 11681.16 | 10481.51 | ||
| Glutethimide | 78094.81 | 63856.27 | 70424.71 | 71905.99 | ||
| Glu Tyr | 41124.38 | 44144.99 | 44994.91 | 31736.46 | ||
| Glu Val | 64089.71 | 58095.80 | 71936.27 | 54367.64 | ||
| Glycine | 33430.11 | 19783.28 | 46216.00 | 30834.69 | ||
| GMP | 39159.34 | 33980.30 | 32636.89 | 36875.30 | ||
| Goniothalenol | 36615.50 | 32044.48 | 33441.65 | 34214.05 | ||
| Gossypetin | 27739.79 | 25378.06 | 28267.29 | 23442.51 | ||
| GSSG / L-Gluthathione (oxidized) | 518682.13 | 464824.93 | 440383.52 | 506986.65 | ||
| Guanine | 62957.10 | 59221.22 | 50503.70 | 55166.46 | ||
| Guanosine | 56050.89 | 39932.36 | 46979.84 | 64680.79 | ||
| GW 1929 | 19305.14 | 19007.78 | 18642.02 | 18179.66 | ||
| Harrisonin | 74479.07 | 73198.84 | 67864.93 | 72985.51 | ||
| Heterodendrin | 32240.71 | 26759.98 | 26174.49 | 31987.43 | ||
| Heteropyrithiamine | 42642.24 | 42867.28 | 39502.56 | 38684.65 | ||
| Hexazinone | 10644.30 | 8430.57 | 9913.53 | 9678.26 | ||
| Hippuric acid | 36686.94 | 26706.22 | 79365.35 | 8332.42 | ||
| Histamine-trifluoromethyltoluide | 304651.87 | 116222.69 | 117336.59 | 114496.62 | ||
| Homogentisate | 43918.45 | 51061.88 | 36839.07 | 40715.61 | ||
| Hydrocortisone sodium succinate | 24116.66 | 25210.10 | 34842.63 | 28064.94 | ||
| Hydroxyurea | 23457.73 | 24414.17 | 22059.44 | 21547.26 | ||
| Hydroxyvernolide | 16123.04 | 14947.27 | 14842.16 | 15487.37 | ||
| Hypoglycin B | 24445.16 | 21490.36 | 16002.94 | 20560.26 | ||
| Hypoxanthine | 305800.55 | 331739.82 | 135353.54 | 324915.52 | ||
| IAA-94 | 11787.77 | 10477.05 | 10808.99 | 10496.06 | ||
| IDP | 41125.01 | 36477.75 | 40147.63 | 39484.08 | ||
| Imazaquin | 27750.03 | 27002.98 | 27647.97 | 27204.73 | ||
| Imazethapyr | 13719.55 | 11974.20 | 15639.22 | 11046.26 | ||
| Imidazol-5-yl-pyruvate | 32219.04 | 31870.70 | 37382.88 | 29504.89 | ||
| Indicaxanthin | 17725.32 | 15152.12 | 16247.31 | 15644.01 | ||
| Indoleamine | 56318.56 | 45272.59 | 52235.92 | 56392.04 | ||
| Indolepyruvate | 26166.47 | 28530.81 | 20569.68 | 20996.14 | ||
| Inosine | 95115.55 | 102472.67 | 40400.90 | 109098.73 | ||
| Ipolamiide | 9273.82 | 7924.87 | 9050.95 | 9862.96 | ||
| Isobutyronitrile | 18952.10 | 20747.38 | 16233.05 | 15355.60 | ||
| Isobutyryl carnitine | 484964.55 | 401196.98 | 572130.17 | 449550.42 | ||
| Isoetharine | 68469.63 | 60348.20 | 64713.64 | 65600.10 | ||
| Isomigrastatin | 35540.28 | 33183.93 | 33026.96 | 34455.10 | ||
| Isoquinoline | 20569.54 | 18894.33 | 20772.59 | 18526.00 | ||
| Isouron | 68406.84 | 54342.32 | 59282.12 | 60419.57 | ||
| Isovalerylcarnitine | 59487.44 | 58453.69 | 71293.90 | 47787.58 | ||
| Istamycin C1 | 104675.91 | 88439.90 | 99389.48 | 104388.96 | ||
| Jadomycin B | 105684.32 | 102202.79 | 103226.40 | 104276.86 | ||
| Jesaconitine | 129337.62 | 109389.64 | 127546.10 | 120849.89 | ||
| Juarezic Acid | 12564.73 | 12152.64 | 12399.17 | 12435.24 | ||
| Juglone | 57423.45 | 78887.99 | 25042.21 | 46739.23 | ||
| Karwinskione | 40395.90 | 37157.31 | 41054.50 | 39230.83 | ||
| Kokusaginine | 75839.76 | 75195.18 | 71369.20 | 76071.92 | ||
| Kurarinol | 21816.83 | 19888.86 | 20450.47 | 20338.63 | ||
| Kynurenine | 19263.98 | 18741.49 | 23902.10 | 25256.79 | ||
| L-2,3-Dihydrodipicolinate | 22439.16 | 20044.93 | 21412.57 | 18266.72 | ||
| L-2,4-Diaminobutanoate | 205716.19 | 195659.28 | 184193.76 | 182062.56 | ||
| L787257 | 36635.90 | 34967.25 | 35503.00 | 34454.62 | ||
| Labriformidin | 77713.46 | 74343.92 | 74648.95 | 74114.69 | ||
| Lacinilene C 7-methyl ether | 120938.35 | 124196.58 | 125043.32 | 94991.01 | ||
| L-Adrenaline | 48283.75 | 36542.42 | 44392.50 | 40713.42 | ||
| Lamtidine | 55880.81 | 51409.08 | 54527.10 | 54853.45 | ||
| Lancerin | 11359.38 | 12632.96 | 9370.17 | 10471.56 | ||
| L-Arginine | 34619.24 | 33252.94 | 26241.47 | 34723.43 | ||
| L-Asparagine | 70735.60 | 73569.33 | 66848.73 | 52910.29 | ||
| L-Aspartate 4-semialdehyde | 15420.24 | 8878.41 | 16510.65 | 15471.31 | ||
| L-Citrulline | 17653.42 | 21378.08 | 21532.92 | 21011.16 | ||
| Leiocarposide | 14877.68 | 14984.95 | 14136.82 | 13085.10 | ||
| Lemobiline | 14675.02 | 405.10 | 32177.04 | 13386.14 | ||
| Leu Glu Ser | 243019.08 | 293388.20 | 149773.76 | 232616.86 | ||
| L-Glutamine | 80741.58 | 81139.54 | 60951.08 | 69184.46 | ||
| L-Hexanoylcarnitine | 70055.94 | 47132.79 | 89094.85 | 65843.06 | ||
| L-Homocysteine | 34801.51 | 31482.95 | 32167.09 | 33636.84 | ||
| Lincomycin | 104543.35 | 86058.95 | 82431.13 | 94329.42 | ||
| L-Isoleucine | 5148537.40 | 5094369.18 | 4533432.49 | 4642256.92 | ||
| Lividomycin B | 21447.64 | 22520.84 | 18818.43 | 25410.43 | ||
| L-Leucine | 8321416.77 | 8460857.32 | 7415629.15 | 7353462.00 | ||
| L-Lysine | 24064.13 | 22451.60 | 23401.27 | 24796.50 | ||
| L-Methionine | 1334397.90 | 1308398.30 | 1087701.57 | 1190634.68 | ||
| Lophocerine | 20537.21 | 13026.65 | 25768.59 | 19213.60 | ||
| L-Ornithine | 565941.28 | 573040.29 | 498518.58 | 497733.97 | ||
| Losartan | 11679.92 | 11414.61 | 11171.95 | 11627.75 | ||
| LPC 18:2 | 114716.50 | 192114.50 | 69777.82 | 120296.93 | ||
| L-Phenylalanine | 18894.01 | 17730.17 | 17833.07 | 17838.35 | ||
| L-Proline | 420547.24 | 486788.64 | 342079.87 | 315043.54 | ||
| L-Rhamnose | 31392.84 | 28281.34 | 28642.07 | 28750.15 | ||
| L-Threonine | 28566.38 | 27472.56 | 26643.40 | 24112.90 | ||
| L-Tyrosine | 2540249.63 | 2692836.81 | 2161812.89 | 2130606.27 | ||
| Lucidine B | 19575.36 | 19169.04 | 19425.53 | 19185.04 | ||
| L-Urobilinogen | 10246.67 | 5687.21 | 10237.38 | 12207.48 | ||
| L-Valine | 323778.97 | 297217.38 | 288501.38 | 328013.68 | ||
| Mafenide | 69087.33 | 67403.98 | 66429.90 | 67043.18 | ||
| Mahanimbine | 978672.70 | 702710.62 | 959895.22 | 1013688.11 | ||
| Mannitol | 255693.03 | 266973.42 | 210671.05 | 210580.24 | ||
| MC-207,110 | 25554.21 | 14727.21 | 25676.18 | 29788.19 | ||
| Melosatin B | 68536.06 | 53421.65 | 66642.55 | 69868.48 | ||
| Mesaconitine | 192737.19 | 168778.18 | 188089.93 | 181126.09 | ||
| Methotrexate | 36142.94 | 30259.91 | 32725.91 | 31367.51 | ||
| Methoxybrassinin | 23983.79 | 20616.77 | 22674.43 | 22193.99 | ||
| methyl 1-oxo-4-(1H-pyrrol-2-yl)-2H-isoquinoline-3-carboxylat... | 123552.08 | 122661.90 | 67004.51 | 125413.36 | ||
| methyl 2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-... | 654638.72 | 600433.78 | 687195.97 | 614736.54 | ||
| Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-to... | 100226.69 | 98934.42 | 113927.64 | 92053.17 | ||
| Microlenin | 14986.51 | 14740.14 | 14753.43 | 15081.92 | ||
| Mirtazapine | 14186.87 | 13269.32 | 13047.20 | 12107.70 | ||
| MLS000862200-01!SB 222200 | 372587.63 | 275590.81 | 361125.68 | 386024.08 | ||
| MMV688991 | 127015.48 | 118913.85 | 118865.46 | 120721.00 | ||
| Mometasone furoate | 47086.46 | 40176.64 | 51589.13 | 45337.51 | ||
| Monodehydroascorbate | 7848.84 | 6967.02 | 13286.41 | 5714.56 | ||
| Morellin | 21051.06 | 19522.07 | 21708.46 | 20579.50 | ||
| Morindaparvin A | 22583.37 | 21221.56 | 20213.61 | 20239.44 | ||
| Morusinol | 962600.16 | 864907.42 | 1013627.77 | 896108.13 | ||
| N1-Methyl-2-pyridone-5-carboxamide | 21670.98 | 33733.37 | 9458.75 | 19317.10 | ||
| N-(2-Methoxyphenyl)-N^-(2-naphtyl)urea | 452756.63 | 362240.45 | 448947.23 | 471193.86 | ||
| N-3-Hydroxyoctanoyl-L-homoserine lactone | 293686.27 | 190382.13 | 295498.15 | 319443.62 | ||
| N-(4-Coumaroyl)-L-homoserine lactone | 9699.22 | 10119.16 | 8129.69 | 10011.01 | ||
| N6-(Delta2-Isopentenyl)-adenine | 75102.89 | 79815.94 | 98115.55 | 83614.06 | ||
| N6-Methyl-L-lysine | 82988.60 | 60426.64 | 97519.74 | 66671.81 | ||
| N-Acetyl-4-O-acetylneuraminate | 44175.37 | 46932.87 | 37350.63 | 37564.30 | ||
| N-Acetyldemethylphosphinothricin | 66658.16 | 48967.19 | 67300.42 | 56699.70 | ||
| N-Acetyl-D-fucosamine | 424135.27 | 398497.91 | 424509.13 | 391195.00 | ||
| N-Acetyl-L-2-amino-6-oxopimelate | 19943.59 | 20495.84 | 18761.87 | 19473.69 | ||
| N-Acetylleucine | 16803.38 | 19783.15 | 17681.39 | 12921.02 | ||
| N-Acetylleucyl-leucyl-methioninal | 140787.96 | 130157.52 | 131265.42 | 134791.71 | ||
| N-Acetyl-L-glutamate | 12004.72 | 11575.33 | 12078.63 | 11190.87 | ||
| N-Acetyl-L-glutamate 5-semialdehyde | 38923.80 | 33584.38 | 35580.02 | 36076.23 | ||
| N-Acetyl-L-histidine | 26339.52 | 25874.50 | 21764.15 | 20827.41 | ||
| N-Acetylmuramoyl-Ala | 18958.43 | 17819.41 | 18934.55 | 19843.70 | ||
| N-Acetylphenylalanine beta-naphthyl ester | 12577.77 | 10059.48 | 15237.76 | 10286.57 | ||
| N-Acetylserotonin | 12458.38 | 11046.44 | 11409.41 | 11892.14 | ||
| Nagilactone C | 122934.58 | 120825.99 | 115120.77 | 115706.35 | ||
| N-Benzoyl-D-arginine-4-nitroanilide | 44948.98 | 17441.94 | 17537.19 | 17234.34 | ||
| N-Carbamoyl-L-aspartate | 52144.99 | 52564.47 | 52064.22 | 51625.03 | ||
| N-Carbamyl-L-glutamate | 63957.78 | 62309.87 | 62463.22 | 62266.92 | ||
| N-Demethyl-desepoxyansamitocin P-3 | 47422.70 | 46113.70 | 45607.24 | 45494.83 | ||
| Neoastilbin | 12209.76 | 12199.29 | 11659.76 | 11687.36 | ||
| Netilmicin | 52407.08 | 43637.02 | 49838.79 | 52600.90 | ||
| N-Formiminoglycine | 62559.04 | 64283.62 | 58045.79 | 57841.61 | ||
| N-Fructosyl isoleucine | 123533.62 | 142702.91 | 101564.29 | 96258.70 | ||
| Niacinamide | 58440.97 | 58054.86 | 36729.63 | 59210.30 | ||
| Niridazole | 933121.54 | 782241.18 | 982899.26 | 849681.68 | ||
| N-Methyl-2-pyrrolidinone | 800672.57 | 730691.90 | 736468.07 | 762825.63 | ||
| N-Methylanthranilamide | 235564.02 | 187643.90 | 210923.18 | 209663.20 | ||
| N-Methylethanolamine phosphate | 60122.89 | 67680.71 | 41004.77 | 53913.26 | ||
| N-Methylthreonine | 155284.08 | 133361.84 | 137764.10 | 140935.88 | ||
| N,N^-Diacetylhydrazine | 24323.72 | 28550.43 | 20244.79 | 18861.88 | ||
| N,N-Didesmethyltamoxifen | 9690.43 | 10635.54 | 7823.27 | 9985.38 | ||
| N(omega)-Nitro-L-arginine | 44237.13 | 45524.48 | 45556.12 | 44477.61 | ||
| Norfloxacin | 40742.77 | 38911.56 | 38709.69 | 40063.21 | ||
| Novapikromycin | 37985.05 | 71926.38 | 22623.68 | 41393.70 | ||
| Novobiocic acid | 152427.59 | 152150.74 | 147390.14 | 143190.33 | ||
| n-Pentadecylamine | 103512.75 | 102299.13 | 101357.18 | 98822.07 | ||
| N-Succinyl-2-L-amino-6-oxoheptanedioate | 18291.73 | 11395.35 | 13232.03 | 22507.94 | ||
| O-Acetylcarnitine | 289932.84 | 230524.53 | 298326.54 | 259016.33 | ||
| O-Acetyl-L-homoserine | 30751.82 | 27091.93 | 28972.77 | 27315.96 | ||
| Octylamine | 116497.50 | 113095.40 | 114843.39 | 113292.82 | ||
| Ohioensin-A | 160682.76 | 205057.66 | 130339.37 | 150739.53 | ||
| Olopatadine | 87490.80 | 70207.64 | 87384.94 | 91193.73 | ||
| O-Phospho-4-hydroxy-L-threonine | 62106.91 | 51250.18 | 65238.23 | 56675.96 | ||
| Ormetoprim | 16263.95 | 12808.97 | 15031.92 | 15142.52 | ||
| Orphenadrine | 19706.16 | 15307.87 | 17572.45 | 18002.69 | ||
| Orthophosphate | 81934.85 | 82107.02 | 95146.67 | 77232.01 | ||
| Osaterone acetate | 129591.28 | 122974.64 | 122438.36 | 121894.62 | ||
| Oxaloglutarate | 49463.21 | 43973.76 | 38348.91 | 44341.48 | ||
| Oxalosuccinate | 12137.48 | 11350.02 | 11924.51 | 10223.94 | ||
| Oxalureate | 139779.51 | 136805.05 | 115319.92 | 126149.06 | ||
| Oxotremorine | 46006.89 | 43738.96 | 82569.32 | 52613.56 | ||
| Oxymetazoline | 10635.98 | 7563.38 | 13178.33 | 10277.11 | ||
| Oxyquinoline sulfate | 12106.39 | 15571.72 | 9883.19 | 11752.82 | ||
| Oxytetracycline | 10412.79 | 11181.42 | 9824.31 | 9781.64 | ||
| Palmitic Acid | 39508.04 | 39271.54 | 36582.36 | 36298.90 | ||
| Pandamine | 27595.35 | 16013.85 | 27228.18 | 31888.66 | ||
| Pantothenic acid | 70549.83 | 92878.91 | 51377.51 | 57121.45 | ||
| Pantothenol | 33699.87 | 27204.69 | 35175.07 | 29462.29 | ||
| para-(Dimethylamino)azobenzene | 25908.88 | 24835.43 | 24063.95 | 25177.30 | ||
| PD-160725 2-hydroxyethanesulfonate | 323089.92 | 304135.78 | 305030.28 | 311462.09 | ||
| Penciclovir | 10769.58 | 9943.62 | 9970.69 | 10033.63 | ||
| Penicillin G | 27051.88 | 26040.58 | 26579.27 | 26130.21 | ||
| Penitrem F | 13524.07 | 10503.77 | 19506.47 | 13643.94 | ||
| Pergolide | 29071.03 | 27195.79 | 27418.09 | 28222.76 | ||
| Perphenazine maleate | 37691.73 | 37970.18 | 36230.29 | 33475.64 | ||
| Petasitenine | 70295.71 | 52317.15 | 70897.35 | 73037.32 | ||
| Phaeantharine | 54375.03 | 48501.80 | 54000.24 | 51816.74 | ||
| Phenanthrene-3,4-diol | 27923.73 | 31073.95 | 24122.72 | 21188.56 | ||
| Phenazine methosulfate | 644612.34 | 515672.67 | 512153.03 | 565136.44 | ||
| Phenindamine | 30719.73 | 26544.76 | 35984.77 | 28609.00 | ||
| Phenylacetaldehyde | 127027.20 | 109794.41 | 136120.62 | 104921.35 | ||
| Phenylacetylglycine | 35279.42 | 29355.66 | 43393.49 | 30361.13 | ||
| Phosphodimethylethanolamine | 10607.69 | 10049.40 | 10597.02 | 9607.51 | ||
| Phthalic anhydride | 20034.48 | 19873.46 | 20646.76 | 19509.01 | ||
| Pilocarpine | 11834.21 | 7619.58 | 9093.85 | 11703.74 | ||
| Pimelate | 83617.90 | 68301.70 | 78517.57 | 87443.47 | ||
| Pindolol | 223169.01 | 193384.74 | 171236.76 | 199264.55 | ||
| Pirbuterol | 11321.22 | 9630.66 | 10434.72 | 10393.80 | ||
| Porphyrin | 12084.16 | 12049.72 | 11650.48 | 11732.58 | ||
| Potassium nitrate | 45880.31 | 46115.62 | 45366.73 | 45030.14 | ||
| Pre-sodorifen diphosphate | 21442.10 | 24291.30 | 24147.04 | 22599.05 | ||
| Probenazole | 5964.55 | 5332.43 | 10392.19 | 4301.81 | ||
| Pro Leu | 268197.23 | 210059.91 | 226767.46 | 271923.87 | ||
| Pronethalol | 31351.89 | 25156.14 | 27726.17 | 33248.46 | ||
| Propionylcarnitine | 429336.69 | 402106.34 | 489990.71 | 308342.69 | ||
| Prostaglandin B1 | 41028.92 | 40947.39 | 36424.56 | 39536.96 | ||
| Protoaphin aglucone | 48492.53 | 46504.93 | 47902.57 | 47480.95 | ||
| Psoralidin | 22130.19 | 16496.35 | 24688.86 | 16636.99 | ||
| Pyrene-4,5-dione | 39715.36 | 30271.18 | 39634.31 | 30979.20 | ||
| Pyridostigmine | 27238.58 | 24793.64 | 25556.19 | 25132.38 | ||
| Pyridoxal | 39978.59 | 41307.20 | 31612.55 | 35340.82 | ||
| Pyroglutamic acid | 560501.31 | 535845.86 | 454716.09 | 464193.38 | ||
| Raffinose | 482169.41 | 426005.65 | 528875.14 | 471837.13 | ||
| Renilla luciferin | 20321.92 | 19135.44 | 18810.21 | 18836.32 | ||
| Resolvin D1 | 184469.99 | 126873.49 | 177999.35 | 190008.95 | ||
| Rotenone | 905471.02 | 893078.65 | 859861.86 | 841792.07 | ||
| R-Soterenol | 14885.12 | 14681.07 | 14294.61 | 15087.22 | ||
| (R,S)-Tetrahydrobenzylisoquinoline | 26532.96 | 25403.67 | 22755.88 | 24495.84 | ||
| (S)-1-Hydroxy-N-methylcanadine | 15248.39 | 14927.87 | 14748.75 | 15286.39 | ||
| (S)-2,3,4,5-Tetrahydropyridine-2-carboxylate | 25512.64 | 22459.74 | 25225.15 | 24541.20 | ||
| S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine | 29032.90 | 25734.14 | 29428.99 | 28600.51 | ||
| S-Adenosyl-L-homocysteine | 55241.90 | 58615.14 | 50260.11 | 52619.71 | ||
| (S)-AL 8810 | 193141.05 | 130497.28 | 190324.70 | 209547.02 | ||
| Salvianolic acid A | 10125.07 | 10285.22 | 10154.27 | 10438.30 | ||
| Sanggenon B | 39975.86 | 41126.57 | 40775.35 | 38283.87 | ||
| Satratoxin H | 12727.25 | 7581.37 | 13505.65 | 15602.42 | ||
| (S)-Canadine | 79765.49 | 64715.08 | 73756.83 | 76075.98 | ||
| Scopoloside I | 319980.25 | 391971.97 | 186044.31 | 305958.65 | ||
| Ser Arg Ser | 157817.84 | 144478.73 | 152887.66 | 157939.85 | ||
| Serotonin | 710058.71 | 565447.00 | 675228.78 | 741008.92 | ||
| Sethoxydim | 19643.61 | 18864.40 | 18653.93 | 19726.45 | ||
| Silymarin | 19418.05 | 18023.24 | 22308.44 | 18510.11 | ||
| S-Methyl-5-thio-D-ribose 1-phosphate | 32671.21 | 30951.19 | 23266.38 | 28659.33 | ||
| S-Methyl-L-methionine | 43045.92 | 28344.57 | 42064.57 | 45838.03 | ||
| Sodium sulfate | 9655.17 | 10587.74 | 9480.62 | 9740.43 | ||
| S-(PGA1)-glutathione | 25407.00 | 23492.90 | 23845.40 | 24209.90 | ||
| Sphingosine-1-phosphate | 24994.98 | 35920.41 | 20393.17 | 31611.93 | ||
| Spiradine A | 11541.38 | 11139.36 | 10833.23 | 10646.89 | ||
| Streptidine | 20393.32 | 16253.96 | 17937.24 | 17087.09 | ||
| Streptothricin F acid | 38523.82 | 50054.49 | 21003.70 | 35564.13 | ||
| Strictosidine aglycone | 12873.12 | 11816.02 | 12126.35 | 12523.09 | ||
| Strobamine | 82220.79 | 75369.72 | 76238.78 | 77779.52 | ||
| Succimer | 337356.95 | 335110.84 | 333262.56 | 334424.34 | ||
| Succinic anhydride | 83826.43 | 66016.40 | 73103.31 | 69718.92 | ||
| Sulfoglycolithocholate | 45354.20 | 25949.11 | 44997.53 | 52550.18 | ||
| Sumatriptan | 18143.19 | 16436.47 | 17026.10 | 17090.77 | ||
| (-)-Sympatol | 37336.63 | 38472.12 | 34461.59 | 34198.93 | ||
| Tamoxifen | 12434.25 | 11449.87 | 12209.86 | 12026.32 | ||
| Taxiphyllin | 59178.21 | 61487.14 | 49083.77 | 48949.94 | ||
| TDE | 48774.64 | 46014.98 | 41918.68 | 42744.80 | ||
| Terbutaline | 18184.33 | 11862.89 | 31774.60 | 13346.52 | ||
| Terpendole B | 31312.86 | 20516.20 | 30480.81 | 32070.42 | ||
| Tetrabenazine | 35026.16 | 43476.84 | 25246.94 | 32988.54 | ||
| Tetrahydropteridine | 22561.84 | 23405.52 | 18756.88 | 18443.50 | ||
| Thalmidine | 68326.48 | 79172.47 | 41083.78 | 64740.62 | ||
| Thymine | 28173.17 | 24628.45 | 31862.33 | 26058.29 | ||
| Thymol-beta-D-glucoside | 287328.34 | 323322.42 | 248724.44 | 258599.64 | ||
| Tiagabine | 11059.39 | 9491.67 | 10403.47 | 11402.30 | ||
| Tiamulin | 17292.50 | 10417.86 | 14101.72 | 27907.30 | ||
| Tolmetin sodium | 47400.30 | 39574.36 | 30422.34 | 42341.69 | ||
| trans-Cinnamate | 25335.81 | 26109.45 | 23579.08 | 22857.19 | ||
| Tranylcypromine | 30333.04 | 30205.54 | 26885.28 | 27115.44 | ||
| Traumatic acid | 19960.34 | 19921.91 | 33509.27 | 23156.69 | ||
| Tributyl phosphate | 374233.81 | 369305.22 | 430172.76 | 350264.66 | ||
| Tridihexethyl | 19954.28 | 19072.19 | 19221.34 | 19025.53 | ||
| Tyr-OEt | 20435.84 | 19356.25 | 20263.66 | 20243.29 | ||
| Uracil | 122635.67 | 117805.48 | 106900.94 | 104427.41 | ||
| Urea | 482483.57 | 387062.00 | 563214.03 | 407025.44 | ||
| Urea-1-carboxylate | 14692.57 | 10636.35 | 28650.33 | 3714.27 | ||
| Uric acid | 316684.47 | 288519.65 | 304027.79 | 257965.08 | ||
| Uridine | 57385.08 | 53754.55 | 50245.92 | 46855.54 | ||
| Urocanate | 15828.69 | 13115.77 | 25277.31 | 13508.60 | ||
| Uscharidin | 12646.71 | 16208.10 | 7037.92 | 11366.76 | ||
| Valacyclovir | 11139.20 | 9621.76 | 9993.07 | 10163.85 | ||
| Warfarin | 36866.71 | 28507.10 | 35214.73 | 37367.70 | ||
| Xanthine | 173095.84 | 188959.06 | 92578.41 | 166848.09 | ||
| Xanthosine | 30108.86 | 30004.92 | 26474.90 | 26159.67 | ||
| YM-53601 | 517857.22 | 410272.82 | 510904.38 | 534992.31 | ||
| Zanamivir | 10102.21 | 9705.98 | 9604.11 | 10029.90 |
Factors:
| F1 | Sample source:QC | Diet:- |
| F2 | Sample source:Serum | Diet:- |
| F3 | Sample source:Serum | Diet:HFD |
| F4 | Sample source:Serum | Diet:LFD |
| F5 | Sample source:Serum | Diet:REV |
