Data for ST004138
| Metabolite structure | All data | F1 | F2 | F3 |
|---|---|---|---|---|
| (±)10(11)-EpDPA | 3902025.54 | 2570500.97 | 2276379.20 | |
| 10-Formylpteroic acid | 1123373.00 | 1067522.38 | 648662.99 | |
| 10-Hydroxydecanoic acid | 1446329.98 | 1093588.14 | 877434.00 | |
| 10-Nitrolinoleate | 2101431.19 | 2164793.90 | 938224.17 | |
| (+/-)11(12)-EET | 1274988.52 | 1104205.46 | 1238947.30 | |
| 11-Dehydro thromboxane B2 | 6419583.68 | 6484834.11 | 6338231.25 | |
| 11-deoxy Corticosterone | 491994.52 | 285165.92 | 189561.81 | |
| 11-Deoxy prostaglandin F2β | 1791072.62 | 1597621.34 | 1541534.65 | |
| 11(E)-Eicosenoic Acid | 30904955.89 | 2765200.55 | 4523492.35 | |
| (±)11-HETE | 2482042.23 | 2732730.81 | 2866428.49 | |
| 11-keto Testosterone (CRM) | 1542259.16 | 3151859.86 | 2259991.77 | |
| 11(Z),14(Z)-Eicosadienoic Acid | 25559844.36 | 4723873.26 | 7008697.92 | |
| (±)12(13)-DiHOME | 4635892.78 | 2142714.89 | 1564910.98 | |
| 12,13-EODE | 6685991.61 | 2846747.47 | 4330841.57 | |
| 1-(2,4-dihydroxyphenyl)-2-(3,5-dimethoxyphenyl)propan-1-one | 726546.62 | 1300122.63 | 768681.76 | |
| 12-Hydroxydodecanoic acid | 12867260.40 | 6739297.40 | 9613742.77 | |
| 12(S)-HETE | 811970.74 | 717549.03 | 412239.92 | |
| 13,14-Dihydro-15-keto prostaglandin F2α | 1157755.54 | 1995649.17 | 2221647.83 | |
| 13,14-dihydro-15-keto-tetranor Prostaglandin D2 | 546689.39 | 602831.38 | 488027.78 | |
| 13,14-dihydro-19(R)-hydroxy Prostaglandin E1 | 5072717.16 | 2125773.05 | 2630362.10 | |
| 13,14-dihydro Prostaglandin F1α | 3086809.91 | 1397025.58 | 919884.14 | |
| 1,3,7-Trimethyluric acid | 880183.79 | 2047938.24 | 826133.20 | |
| 1,3-Dimethyluracil | 4547915.78 | 2237792.74 | 1057610.64 | |
| 1,3-Dimethyluric acid | 168563.70 | 133108.46 | 983877.40 | |
| (+/-)13-HODE | 4579237.80 | 2222058.06 | 3383214.33 | |
| 13-Hpotre(R) | 34674059.87 | 30990458.74 | 24683764.13 | |
| 1-(3-phenylpropanoyl)-4-piperidinecarboxylic acid | 2205192.83 | 2184181.97 | 1323050.26 | |
| (+/-)14(15)-DiHET | 4214158.97 | 4599303.29 | 2639479.51 | |
| 14,15-Leukotriene E4 | 247991.76 | 164623.06 | 194190.37 | |
| 1-(4-chlorophenyl)-3-hydroxy-1,2-dihydroquinoxalin-2-one | 183213.36 | 362812.02 | 498728.45 | |
| 1,4-Cyclohexanedicarboxylic acid | 6588727.07 | 6567145.89 | 24571840.39 | |
| 1-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-(2-naphthyl)butane-... | 590466.79 | 356432.11 | 240757.50 | |
| 1,5,8-Trihydroxy-9-oxo-9H-xanthen-3-yl beta-D-glucopyranosid... | 215935.35 | 544079.36 | 347518.27 | |
| 1,5-Anhydro-D-glucitol | 668080.38 | 906569.03 | 328315.42 | |
| 15-Deoxy-Δ12,14-prostaglandin D2 | 1011683.17 | 570555.94 | 490771.89 | |
| 15-OxoEDE | 6976138.17 | 2399357.41 | 2616054.96 | |
| 15(R),19(R)-Hydroxy prostaglandin F1α | 911253.34 | 641975.64 | 711904.88 | |
| 15(R),19(R)-Hydroxy prostaglandin F2α | 8431913.76 | 8758050.41 | 8633549.17 | |
| 15(R)-Prostaglandin E2 | 1751308.69 | 2233589.16 | 2077259.85 | |
| 16-(Hexopyranosyloxy)-7-hydroxy-8,9-epoxypimaran-18-oic acid | 1131202.81 | 611345.88 | 6386802.69 | |
| 16-Hydroxyhexadecanoic acid | 221122758.31 | 62584572.23 | 143053031.58 | |
| 16α-Hydroxyestrone | 113373.72 | 229444.34 | 112627.03 | |
| 1,7-Dimethyluric acid | 11053895.22 | 5860439.78 | 11354956.01 | |
| 17(S)-HpDHA | 1099479.79 | 527487.44 | 233954.41 | |
| 17α-Hydroxypregnenolone | 98156.18 | 96274.88 | 293693.23 | |
| 17α-Hydroxyprogesterone | 1594739.88 | 380667.48 | 202250.42 | |
| 18-β-Glycyrrhetinic acid | 52468000.57 | 125950871.67 | 7018576.87 | |
| 19(R)-Hydroxy prostaglandin A2 | 82742.83 | 660940.87 | 97595.67 | |
| 19(R)-Hydroxy prostaglandin F1α | 6078059.91 | 7135257.57 | 5291012.24 | |
| 19(R)-Hydroxy prostaglandin F2α | 1911348.50 | 2664683.45 | 1942616.28 | |
| 1a,1b-Dihomo prostaglandin E1 | 2234871.14 | 2128610.55 | 1311616.42 | |
| 1a,1b-Dihomo prostaglandin F2α | 11464428.07 | 5155861.43 | 12915887.07 | |
| 1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione | 432612.81 | 3490718.30 | 533697.72 | |
| 1-Methyladenosine | 594714.82 | 646567.47 | 559654.21 | |
| 1-Methylguanine | 78960.03 | 278530.32 | 97917.04 | |
| 1-Methyluric acid | 3067888.27 | 5017427.03 | 1968687.28 | |
| 20-Hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoic acid | 1687631.86 | 1170816.06 | 950562.69 | |
| 2-[2-(4-benzhydrylpiperazino)-2-oxoethoxy]acetic acid | 661368.94 | 620739.32 | 730742.48 | |
| 2,2-Dimethylsuccinic acid | 2660718.81 | 3887396.33 | 2690728.85 | |
| 2-{2-oxo-2-[(2-oxo-3-azepanyl)amino]ethoxy}acetic acid | 3866563.41 | 3093293.61 | 3978031.61 | |
| 2-(3,4-dimethoxyphenyl)-N-(4-morpholinophenyl)acetamide | 230584.97 | 336165.23 | 389106.17 | |
| 2,3-Dinor-8-epi-prostaglandin F2α | 36461617.04 | 36358931.33 | 26487837.94 | |
| 2,3-Dinor prostaglandin E1 | 1743008.57 | 538520.89 | 1684838.99 | |
| 23-Norcholic acid | 677780.30 | 396481.28 | 520300.62 | |
| 2-[(3S)-1-(Cyclohexylmethyl)-3-pyrrolidinyl]-5-fluoro-1H-ben... | 27210012.38 | 27135298.09 | 57643497.80 | |
| 2,4,6-Trihydroxyacetophenone | 3397166.90 | 3710230.62 | 2276990.03 | |
| 2-[(4-chlorophenyl)sulfonyl]-N,N-dimethylacetamide | 1561464.95 | 403525.30 | 868463.85 | |
| 2,5-di[4-(trifluoromethyl)benzylidene]cyclopentan-1-one | 351830.09 | 839894.42 | 264159.39 | |
| 2,5-Dihydroxybenzaldehyde | 14566603.37 | 19324225.25 | 15628307.73 | |
| 2,5-Dimethylphenol | 19681452.39 | 24794530.14 | 5826673.04 | |
| 2-(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)acetonitrile | 150100.75 | 619214.40 | 147399.43 | |
| 2-[6-(1H-benzo[d]imidazol-2-yl)-2-pyridyl]-1H-benzo[d]imidaz... | 334753.10 | 453666.86 | 1355283.52 | |
| 2,6-Dihydroxypurine | 14672394.94 | 9700612.35 | 24208282.84 | |
| 2-(acetylamino)-3-(1H-indol-3-yl)propanoic acid | 5943131.73 | 2672488.47 | 1604259.95 | |
| (2-anilino-4-methyl-1,3-thiazol-5-yl)(4-methoxyphenyl)methan... | 355359.35 | 175975.13 | 188307.11 | |
| 2-Arachidonyl Glycerol ether | 1984148.17 | 3350540.15 | 3963969.05 | |
| 2-Butoxyacetic acid | 1760863.85 | 2300482.59 | 2118462.20 | |
| 2^-Deoxycytidine 5^-diphosphate (dCDP) | 357466.57 | 142820.85 | 640632.87 | |
| 2^-Deoxyinosine | 2829927.96 | 1493390.03 | 956318.25 | |
| 2^-Deoxyinosine 5^-monophosphate | 917611.78 | 1766162.21 | 238452.01 | |
| 2-(Dimethylamino)Guanosine | 1242178.04 | 1813297.33 | 1506044.47 | |
| (2E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-... | 339396.67 | 272871.50 | 250635.98 | |
| 2-(Formylamino)Benzoic Acid | 3722652.08 | 3207160.44 | 4554257.30 | |
| 2-Furoic acid | 1296048.03 | 1019305.40 | 1834635.45 | |
| 2-Furoylglycine | 553715.55 | 475767.60 | 1187470.95 | |
| 2-Hydroxy-2-methylbutanedioic acid | 18345675.74 | 3908946.69 | 3269391.67 | |
| 2-Hydroxybutyric acid | 413701.95 | 260578.98 | 283598.90 | |
| 2-Hydroxycaproic acid | 231571094.39 | 113855944.20 | 113868510.15 | |
| 2-Hydroxyestradiol | 443780.73 | 155766.93 | 631946.12 | |
| 2-Hydroxymyristic acid | 14560986.69 | 5810178.80 | 24379110.98 | |
| 2-Hydroxyphenylacetic acid | 3933582.83 | 3371372.20 | 3442709.89 | |
| 2-Hydroxyvaleric acid | 81054428.67 | 35634646.41 | 37073196.47 | |
| 2-Isopropylmalic acid | 14586705.34 | 8479452.39 | 6676674.50 | |
| 2-Methoxyestrone | 2647474.02 | 2893386.63 | 4766536.90 | |
| 2-Methyl-3-hydroxybutyric acid | 2502368.06 | 1550432.48 | 1909689.23 | |
| 2^-O-Methyladenosine | 929078.79 | 158502.19 | 182435.10 | |
| 2-Oxobutyric acid | 38415958.73 | 20452999.82 | 4465907.94 | |
| 2-Oxoglutaric acid | 16673390.99 | 35022759.08 | 5591347.39 | |
| 2-Phenylethylamine | 374619.22 | 481511.12 | 497330.91 | |
| 2-Phenylpropionic acid | 1023142.98 | 1501464.01 | 567395.70 | |
| (2R)-2,3-Dihydroxypropanoic acid | 44732376.09 | 50056881.70 | 67463809.41 | |
| (2S)-4-Oxo-2-phenyl-3,4-dihydro-2H-chromen-7-yl beta-D-gluco... | 9614871.25 | 21136029.09 | 15866308.79 | |
| 3-[3-(beta-D-Glucopyranosyloxy)-2-hydroxyphenyl]propanoic ac... | 1428403.73 | 3265027.48 | 772899.63 | |
| 3,3-Dimethylglutaric acid | 29897013.81 | 39361493.80 | 27841289.83 | |
| 3-(3-Methoxyphenyl)propionic acid | 1023059.00 | 1693205.17 | 1887576.85 | |
| 3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid | 3048964.06 | 10831650.28 | 3538220.30 | |
| 3-(4-chlorophenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic... | 903147.63 | 1326928.35 | 472688.96 | |
| 3,4-Dihydroxyphenylpropionic acid | 31159713.69 | 71615205.92 | 9638904.16 | |
| 3,4-dimethoxythiophene-2,5-dicarboxylic acid | 1785613.99 | 1631397.16 | 2365656.51 | |
| 3-(4-Hydroxyphenyl)propionic acid | 9391438.11 | 7922745.04 | 3839337.13 | |
| 3,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-... | 36477912.57 | 96702342.26 | 24042945.06 | |
| 3-benzyl-1-butyl-4-hydroxy-1,2-dihydroquinolin-2-one | 1226355.65 | 2217178.88 | 2511592.39 | |
| 3-Coumaric acid | 7135438.90 | 9250529.24 | 4848577.28 | |
| 3^-Dephospho-CoA | 231137.69 | 432474.76 | 288832.78 | |
| 3-Hydroxy-3-methylglutaric acid | 19626910.94 | 14706247.33 | 16011157.08 | |
| 3-Hydroxyanthranilic acid | 1854615.47 | 2253295.80 | 2047690.41 | |
| 3-Hydroxybutyric acid | 1807510.29 | 1547527.97 | 1188507.41 | |
| 3-Hydroxyvaleric acid | 1803259.61 | 2181207.16 | 2322891.97 | |
| 3-[(methoxycarbonyl)amino]-2,2,3-trimethylbutanoic acid | 2111792.31 | 1002833.96 | 644471.88 | |
| 3-Methyl-2-oxobutanoic acid | 432283.77 | 357305.75 | 357780.38 | |
| 3-methyl-4-[2-(2-methylphenyl)hydrazono]-4,5-dihydro-1H-pyra... | 2039727.19 | 3115627.14 | 1308141.33 | |
| 3-methyl-5-oxo-5-(4-toluidino)pentanoic acid | 11129828.71 | 14712527.37 | 5005531.50 | |
| 3-Nitro-L-Tyrosine | 282288.75 | 187365.23 | 164180.13 | |
| 3-Oxo-7alpha,12alpha-hydroxy-5beta-cholanoic acid | 80011082.57 | 59517729.86 | 44071675.16 | |
| 3-Phenyllactic acid | 161209516.85 | 104741884.83 | 97800093.67 | |
| (3R)-4,4-Dimethyl-2-oxotetrahydro-3-furanyl beta-D-glucopyra... | 1809645.86 | 2822361.91 | 2226351.78 | |
| 4-[2-(2-oxo-1-imidazolidinyl)ethyl]-1lambda~6~,4-thiazinane-... | 5348333.99 | 4802335.04 | 6291475.94 | |
| 4-[(3,4-dimethoxyphenethyl)amino]-4-oxobutanoic acid | 323572.50 | 559789.49 | 310475.55 | |
| 4-(4-cyclohexylphenyl)-4-oxobut-2-enoic acid | 2130141.79 | 2745119.26 | 846031.47 | |
| 4-((5-(4-Nitrophenyl)oxazol-2-yl)amino)benzonitrile | 987052.70 | 1046175.67 | 602083.28 | |
| 4,5-Dicaffeoylquinic acid | 838197.79 | 1231089.80 | 509433.59 | |
| 4,5-diphenyl-2,3-dihydro-1H-pyrazolo[3,4-c]pyridazin-3-one | 726082.94 | 1484307.07 | 700650.57 | |
| 4-Acetamidobutanoic acid | 3384877.50 | 3622367.19 | 4046196.57 | |
| 4-Aminobutyric acid | 822391.77 | 536448.15 | 902296.43 | |
| 4-(beta-D-Glucopyranosyloxy)-2-methylenebutanoic acid | 1225989.06 | 3185762.59 | 1609148.84 | |
| 4-chloro-1H-indazol-3-amine | 2222590.19 | 3435453.16 | 1897767.27 | |
| 4-hydroxy-1-phenyl-1,2-dihydroquinolin-2-one | 242484.61 | 145843.98 | 280889.14 | |
| 4-Hydroxy-3-methylbenzoic acid | 2231760.83 | 2078780.28 | 1797234.61 | |
| 4-Hydroxybutyric acid (GHB) | 5883131.67 | 4115241.08 | 3989813.41 | |
| 4-Hydroxyisoleucine | 1580314.41 | 1224817.61 | 835236.23 | |
| 4-Hydroxyphenylpyruvic acid | 3119899.87 | 3529243.91 | 2716464.16 | |
| 4-Methyl-2-Oxopentanoic Acid | 160033852.70 | 13268357.55 | 66183631.46 | |
| 4-Methylhippuric acid | 3758096.08 | 1083724.30 | 2471180.69 | |
| 4-Methylphenol | 4908595.98 | 4308121.19 | 3127287.66 | |
| 4-Nitrocatechol | 400029.49 | 651258.58 | 407096.45 | |
| 4-oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid | 5311148.97 | 5764185.66 | 3969645.05 | |
| 4-Oxoproline | 117817647.89 | 48610847.22 | 44669363.31 | |
| 5-(1H-indol-3-yl)-3-methylpenta-2,4-dienoic acid | 148220.44 | 169696.83 | 383359.12 | |
| (+/-)5(6)-DiHET | 3116641.40 | 618517.78 | 880545.39 | |
| 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one | 2933301.76 | 3586453.53 | 2504779.92 | |
| 5-Aminolevulinic acid | 2252535.91 | 2711228.79 | 2899449.05 | |
| 5-Aminovaleric acid | 4618630.46 | 4684704.50 | 4077593.25 | |
| 5-[(Benzoyloxy)methyl]-4,5,6-trihydroxy-2-cyclohexen-1-yl be... | 311988.13 | 595695.81 | 208807.42 | |
| 5-Dehydroquinic acid | 3210611.34 | 5172489.83 | 2138065.17 | |
| 5-heptyl-4-hydroxy-6H-pyrido[3,2,1-jk]carbazol-6-one | 4430174.75 | 5128263.18 | 4866184.99 | |
| 5-Hydroxyindole-2-carboxylic acid | 7977465.06 | 19585687.74 | 1456701.55 | |
| 5-Hydroxyindole-3-acetic acid | 9305469.24 | 12877236.69 | 8303273.66 | |
| 5-Hydroxylysine | 734428.03 | 863970.38 | 209788.88 | |
| 5-Hydroxymethyluracil | 916255.20 | 475365.55 | 507601.35 | |
| 5-Hydroxytryptophan | 2506862.51 | 2173668.25 | 2255476.42 | |
| 5 methyl THF | 237101.93 | 488967.68 | 115706.25 | |
| 5-(sec-butyl)-2-hydroxybenzaldehyde N-phenylhydrazone | 3005500.82 | 1098672.95 | 3188834.19 | |
| 5-Sulfosalicylic acid | 5772501.68 | 271247696.83 | 3520719.08 | |
| 5-(tert-butyl)-2-methyl-N-(5-methyl-3-isoxazolyl)-3-furamide | 8841356.26 | 5118919.80 | 7660117.26 | |
| 6,7-Dihydroxycoumarin | 1380303.95 | 2006482.59 | 2248174.34 | |
| 6,8-di(tert-butyl)-4-oxo-4H-chromene-2-carboxylic acid | 2698441.18 | 228192.57 | 165557.97 | |
| 7,8-Dihydrofolate | 705577.88 | 500666.58 | 487529.27 | |
| 7-Hydroxy-3,4-dihydrocarbostyril | 17584957.00 | 15939154.63 | 4484879.00 | |
| 7-Methylxanthine | 3200294.29 | 3104846.77 | 1111886.42 | |
| 8,15-Dihete | 205560.19 | 426305.97 | 261555.01 | |
| 8-iso-15-keto Prostaglandin E2 | 1160345.40 | 1072565.60 | 788809.20 | |
| 8-iso-15-keto Prostaglandin F2α | 4758864.74 | 4315326.84 | 11081127.04 | |
| 8-iso Prostaglandin A1 | 706693.54 | 386028.68 | 295651.87 | |
| 8-iso Prostaglandin A2 | 1027103.60 | 1643768.67 | 1668029.18 | |
| 8-iso Prostaglandin F2α Ethanolamide | 73547.80 | 43667.80 | 195149.00 | |
| 8(S),15(S)-DiHETE | 3529299.62 | 6427875.21 | 5383145.10 | |
| 8(S)-Hydroxy-(5Z,9E,11Z,14Z)-eicosatetraenoic acid | 2257217.06 | 2084943.22 | 3611448.34 | |
| 8Z,11Z,14Z-Eicosatrienoic acid | 42988825.08 | 16316805.93 | 8925955.49 | |
| (±)9(10)-DiHOME | 99605357.39 | 85967197.71 | 59126122.67 | |
| (+/-)9,10-dihydroxy-12Z-octadecenoic acid | 90062713.47 | 78353371.10 | 60796232.31 | |
| (+/-)9(10)-EpOME | 4136350.45 | 1208722.92 | 866993.44 | |
| (±)9(10)-EpOME | 3229800.63 | 4043370.07 | 5189477.93 | |
| (+/-)9-HpODE | 30694004.42 | 24926994.76 | 23620573.23 | |
| (±)9-HpODE | 4581685.54 | 2117372.88 | 3114503.75 | |
| 9-Methyluric acid | 472846.53 | 503668.18 | 257209.46 | |
| (±)-Abscisic acid | 1129552.90 | 497877.40 | 1056139.90 | |
| Acetylcarnitine | 1468681.18 | 1745743.20 | 718338.96 | |
| Adenine | 11948815.66 | 4542140.50 | 5267117.88 | |
| Adenosine diphosphate ribose | 3910049.20 | 5733250.37 | 3782741.11 | |
| ADGGA 12:0_12:0_18:2 | 4085850.45 | 1343926.93 | 529715.79 | |
| ADGGA 20:3_14:1_14:1 | 96267.74 | 35594.18 | 43190.33 | |
| Adipic acid | 6434461.61 | 9957828.74 | 10219315.15 | |
| Adrenic acid | 74629451.13 | 9695877.56 | 7342631.16 | |
| AKB48 N-(4-hydroxypentyl) metabolite | 2912474.17 | 2550323.45 | 8395560.13 | |
| albiflorin | 2889162.58 | 1024339.85 | 3105938.44 | |
| Aldosterone | 554081.56 | 809850.31 | 240894.30 | |
| all-cis-4,7,10,13,16-Docosapentaenoic acid | 23631318.22 | 9400168.23 | 4452004.60 | |
| alpha-Benzylsuccinic acid | 102439.55 | 252476.68 | 68226.34 | |
| alpha-Ketoglutaric acid | 7108913.69 | 8449842.46 | 6677575.15 | |
| aminoimidazole carboxamide ribonucleotide | 655623.62 | 429167.13 | 308529.43 | |
| Anthranilic acid | 850585.94 | 685550.08 | 814971.62 | |
| Arachidic Acid | 1300812.02 | 319944.03 | 505385.52 | |
| Arachidonic acid | 111071343.43 | 53265493.32 | 41167286.34 | |
| Ascorbic acid | 800410.73 | 745764.17 | 612850.05 | |
| Ascorbyl stearate | 4796143.89 | 5792415.25 | 5250756.17 | |
| Azelaic acid | 45750550.68 | 78494878.84 | 47250158.34 | |
| Benzoic acid | 118710345.30 | 74096163.49 | 117841698.79 | |
| beta-Estradiol 17-Acetate | 655823.19 | 1650979.09 | 2816509.03 | |
| Biotin | 386259.33 | 240846.40 | 761058.61 | |
| Butylparaben | 7927339.14 | 13628186.19 | 2028332.72 | |
| Caffeic acid | 8343500.64 | 10851172.89 | 6010537.15 | |
| Calcitriol | 4095729.81 | 1927404.61 | 2106045.15 | |
| Calcium D-Panthotenate | 188282.35 | 57381.86 | 65292.73 | |
| Capryloylglycine | 1031887.29 | 1042116.31 | 1031455.50 | |
| Carnosine | 2530643.69 | 1820041.31 | 1931191.37 | |
| Catechol | 3424581.77 | 4837803.09 | 3354327.25 | |
| Cer 17:0;2O/17:0;(3OH) | 700717.45 | 2155773.60 | 673107.33 | |
| Cer 18:0;2O/17:0;(3OH) | 449081.04 | 896548.90 | 353441.20 | |
| Cer 18:1;2O/15:0 | 86150.17 | 519423.94 | 104678.58 | |
| Cer 18:1;2O/16:0;(2OH) | 222071.08 | 738299.92 | 167297.64 | |
| Cer 18:1;2O/18:1 | 6855228.29 | 3007469.11 | 2913656.90 | |
| Cer 18:1;3O/16:0;(2OH) | 105423.91 | 82969.89 | 709640.69 | |
| Cer 18:2;2O/2:0 | 966934.97 | 745706.75 | 474523.40 | |
| Cer 19:0;2O/12:0;(3OH)(FA 20:6) | 56935.12 | 108823.20 | 497347.18 | |
| Cer 22:2;2O/18:0;(3OH) | 214233.90 | 56453.74 | 63304.40 | |
| Cer 8:1;2O/4:0 | 516406.64 | 745577.73 | 340651.88 | |
| CerP 14:1;2O/10:0 | 188292.63 | 67467.13 | 114036.70 | |
| cGMP | 274533.66 | 130683.88 | 4683583.85 | |
| Chenodeoxycholic Acid | 39546943.25 | 22667296.08 | 32181037.22 | |
| Chenodeoxycholic acid-3-beta-D-glucuronide | 645378.45 | 444313.84 | 684786.22 | |
| Chlortetracycline | 311863.51 | 940666.05 | 242573.18 | |
| Cholic acid | 17138390.13 | 10540440.24 | 20760159.89 | |
| Chrysin | 11378244.58 | 2002579.04 | 820035.78 | |
| Cinnamyl alcohol | 653747.37 | 342800.68 | 508990.95 | |
| cis-2-Decenoic acid | 944404.24 | 843361.89 | 711474.53 | |
| cis-Aconitic acid | 2287912.90 | 2064081.59 | 4119420.87 | |
| Citicoline | 1262425.38 | 553885.48 | 256083.04 | |
| Citraconic acid | 22152607.78 | 8043707.33 | 25422321.32 | |
| Citramalic acid | 7212761.24 | 8045167.35 | 7964983.53 | |
| Citric acid | 12673797.66 | 5113557.70 | 17062564.78 | |
| Citrulline | 793441.83 | 673385.07 | 1051930.62 | |
| Corchorifatty acid F | 32657273.96 | 36039359.84 | 22508539.02 | |
| CUMYL-PICA N-pentanoic acid metabolite | 246039.59 | 693031.41 | 1496105.15 | |
| Cyclamic acid | 253802529.13 | 19961645.26 | 117385818.17 | |
| Cyclic ADP-ribose | 880441.35 | 2300710.99 | 1014841.64 | |
| Cymarin | 1454370.40 | 1743712.05 | 816948.77 | |
| Cynaropicrin | 189302.48 | 429677.78 | 203929.64 | |
| Cytidine | 1734384.53 | 665962.39 | 346692.59 | |
| Cytidine-5^-monophosphate | 206440.54 | 238161.78 | 1643725.86 | |
| D-2-Aminoadipic acid | 1477194.51 | 1750408.56 | 1372769.44 | |
| D-Alanyl-D-alanine | 727210.30 | 2069400.08 | 835847.62 | |
| Decanoic acid | 25767903.85 | 11630669.47 | 86517153.41 | |
| Deoxycholic acid | 1057038101.25 | 386477132.76 | 1202773146.81 | |
| Deoxyguanosine | 1106744.46 | 220445.56 | 173256.24 | |
| Deoxyinosine | 3205442.17 | 1681706.93 | 697984.51 | |
| Desoxycortone | 834722.60 | 1784492.34 | 748557.93 | |
| D-(-)-Fructose | 1455067.78 | 1178877.98 | 367843.59 | |
| D-Fructose 6-phosphate | 3594091.54 | 2943614.65 | 1974783.47 | |
| DGDG 16:0_22:3 | 597453.70 | 738667.28 | 210773.25 | |
| DGDG O-16:4_20:5 | 654068.92 | 195860.64 | 99002.44 | |
| D-Gluconic acid | 2943645.57 | 1444761.85 | 1434231.29 | |
| D-Glucono-1,5-lactone | 2291707.11 | 4276611.39 | 1791066.08 | |
| D-glutamine | 6730770.78 | 1804159.85 | 569541.29 | |
| Dibenzoyl Thiamine | 86078.76 | 199795.46 | 85148.56 | |
| diethyl 2-[(2-morpholinoanilino)methylidene]malonate | 15488688.19 | 10406073.70 | 21540575.84 | |
| Dihydroroseoside | 7233989.36 | 9109506.22 | 5004392.48 | |
| Dimetghyl 4-Hydroxyisophthalate | 1462048.99 | 538008.37 | 681330.93 | |
| Diphenylamine | 653861.44 | 409268.81 | 410812.93 | |
| Dl-3,4-Dihydroxymandelic Acid | 669923.76 | 994486.17 | 223990.01 | |
| DL-3,4-Dihydroxyphenyl glycol | 451671.02 | 2240602.78 | 638452.99 | |
| Dl-3-Hydroxynorvaline | 313440.83 | 495814.90 | 191653.08 | |
| DL-4-Hydroxyphenyllactic acid | 63853684.83 | 42758736.41 | 23905723.61 | |
| Dl-Indole-3-lactic acid | 269809.26 | 342896.01 | 211216.78 | |
| DL-Malic acid | 11531846.54 | 6512059.37 | 16314603.28 | |
| DL-methionine sulfoxide | 884842.37 | 997175.56 | 1593370.79 | |
| DL-Norvaline | 4037717.40 | 1661406.47 | 2252043.64 | |
| DL-Tryptophan | 24116058.02 | 11377529.81 | 14962006.24 | |
| DL-β-Leucine | 14803708.42 | 7667351.01 | 9178755.68 | |
| D-(-)-Mannitol | 3632900.56 | 90032.78 | 2402904.84 | |
| Docosahexaenoic acid | 53772803.19 | 26831985.78 | 17667304.02 | |
| Docosapentaenoic acid | 42005050.67 | 13692937.74 | 7880916.76 | |
| Docosatrienoic acid | 6821310.46 | 415936.29 | 822238.80 | |
| Dodecanedioic acid | 41434541.15 | 39183356.52 | 22967063.91 | |
| Dopamine | 1433461.19 | 1259539.94 | 1550077.51 | |
| D-Proline | 319310.35 | 223713.52 | 219531.15 | |
| D-(-)-Quinic acid | 52887617.84 | 3038881.60 | 2333501.25 | |
| D-Raffinose | 5387006.15 | 6427677.68 | 4201275.66 | |
| D-Saccharic acid | 3597108.73 | 913899.06 | 1020143.58 | |
| D-(-)-Salicin | 2649595.74 | 6874093.02 | 2244585.58 | |
| Elaidic acid | 957129880.36 | 141486599.81 | 151715137.32 | |
| ent-8-iso Prostaglandin F2α | 1903687.22 | 2055019.40 | 1471512.72 | |
| (-)-Epigallocatechin | 359698.56 | 1086525.24 | 184677.58 | |
| Epigallocatechin gallate | 836608.03 | 323259.50 | 446309.08 | |
| Epinephrine bitartrate | 691392.44 | 771339.33 | 716062.11 | |
| Eriocitrin | 1065783.30 | 390017.13 | 396369.61 | |
| Eriodictyol | 2026614.30 | 4528554.97 | 1032540.55 | |
| Estriol 17-sulfate | 663817.81 | 292162.42 | 303563.71 | |
| Ethyl chrysanthemumate | 4021760.48 | 5723356.48 | 12939751.57 | |
| Ethylmalonate | 1286040.46 | 870214.00 | 929477.85 | |
| Ethylmalonic acid | 7471903.47 | 3844831.44 | 4675798.59 | |
| Ethyl-β-D-glucuronide | 561766.65 | 741325.84 | 334094.01 | |
| FAHFA 15:0/24:4 | 524513.79 | 1298969.26 | 435791.33 | |
| FAHFA 18:0/18:0 | 927631.57 | 1156919.21 | 1068974.35 | |
| FAHFA 18:0/24:4 | 2462866.04 | 829549.64 | 2097434.86 | |
| FAHFA 18:0/3:0 | 3374265.17 | 119050.29 | 147985.78 | |
| FAHFA 18:1/24:4 | 1198592.16 | 2124031.22 | 4351637.65 | |
| FAHFA 18:2/18:0 | 823517.79 | 647551.71 | 1377528.16 | |
| FAHFA 18:2/20:4 | 1210116.94 | 564740.55 | 317542.26 | |
| FAHFA 18:2/24:4 | 870836.54 | 3263190.87 | 424446.56 | |
| FAHFA 20:1/18:0 | 608381.93 | 1390066.84 | 1072542.01 | |
| FAHFA 2:0/16:0 | 2885664.91 | 1084807.24 | 1580799.83 | |
| FAHFA 2:0/18:0 | 721831.28 | 1015599.06 | 503521.90 | |
| FAHFA 2:0/24:4 | 1601218.82 | 679389.34 | 2566357.92 | |
| FAHFA 3:0/18:0 | 1038741.12 | 784818.13 | 1192957.44 | |
| FAHFA 3:0/24:1 | 6897110.83 | 9525563.80 | 5294189.95 | |
| FAHFA 3:0/26:0 | 69498.53 | 258600.91 | 1793278.59 | |
| FAHFA 4:0/16:0 | 258779.66 | 86034.31 | 179951.36 | |
| FAHFA 4:0/18:0 | 2286600.34 | 1171280.35 | 2226793.73 | |
| FAHFA 4:0/22:0 | 454178.62 | 1545272.13 | 654877.64 | |
| FAHFA 5:0/18:0 | 1574040.69 | 1078813.86 | 892370.25 | |
| FAHFA 5:0/24:0 | 2237727.71 | 264278.41 | 801117.68 | |
| FAHFA 5:0/24:4 | 852322.09 | 145532.26 | 1088838.99 | |
| Farnesyl pyrophosphate | 1524388.60 | 1982657.57 | 1259303.32 | |
| Feruloyl Putrescine | 14618761.25 | 18153981.74 | 28598654.16 | |
| Flavin mononucleotide (FMN) | 710183.00 | 701567.88 | 651885.55 | |
| Fumaric acid | 5527713.86 | 8706827.02 | 13790200.24 | |
| Fumonisin B2 | 2913704.19 | 609504.85 | 187982.51 | |
| Gallic acid | 4404737.41 | 3564795.41 | 2154683.29 | |
| gamma-Glutamylleucine | 6706590.70 | 5755287.81 | 7453801.36 | |
| gamma-Glutamylmethionine | 1027116.12 | 722052.20 | 156001.25 | |
| Genipin | 2409565.65 | 16781835.19 | 579467.65 | |
| Genistein | 32318288.91 | 45494416.17 | 26813637.04 | |
| Gentisic acid | 6492511.70 | 8309658.06 | 7011618.13 | |
| Geranylgeranyl pyrophosphate | 908005.52 | 1611237.81 | 638936.53 | |
| Gibberellin A4 | 388705.05 | 931630.66 | 521072.28 | |
| Glucoiberin | 836384.42 | 1138156.48 | 1248800.53 | |
| Gluconic acid | 3532799.14 | 3310295.44 | 1058948.67 | |
| Glucose 1-phosphate | 8774413.68 | 6511863.40 | 2989316.54 | |
| Glu-Gln | 2522334.30 | 3462986.95 | 1751646.83 | |
| Glu-Glu | 2187352.53 | 661711.51 | 921114.34 | |
| Glutaconic acid | 1707640.94 | 1448308.39 | 2207812.88 | |
| Glutaric acid | 14136059.31 | 5343374.16 | 6471213.46 | |
| Glycerol 3-phosphate | 1574159.40 | 1234797.68 | 894988.20 | |
| Glycochenodeoxycholic acid | 38491087.78 | 44731847.51 | 219581031.11 | |
| Glycochenodeoxycholic Acid (sodium salt) | 3111936.26 | 2539490.11 | 5138700.42 | |
| Glycocholic acid | 7284449.56 | 10025285.15 | 23293650.03 | |
| Glycodeoxycholic acid | 13332589.48 | 7373552.90 | 96250753.50 | |
| Glycoursodeoxycholic acid | 10704366.15 | 7158783.10 | 36543747.97 | |
| Guanosine | 4692108.67 | 3906956.22 | 20122773.26 | |
| Guanosine-3^,5^-cyclic monophosphate | 1454547.91 | 2285774.55 | 28003723.05 | |
| Hematoxylin | 897244.24 | 1094032.88 | 1012595.83 | |
| Hesperetin | 593844.28 | 411036.01 | 456700.92 | |
| Hex2Cer 34:1;2O | 207533.84 | 451193.19 | 155058.63 | |
| Hex3Cer 23:2;2O | 315837.26 | 275719.16 | 2543354.15 | |
| Hexadecanedioic acid | 1431970.17 | 1890319.00 | 1280809.59 | |
| Hexanoic acid | 2059813.31 | 2790025.79 | 1869560.76 | |
| HexCer 22:0;2O/16:2;O | 262490.01 | 421912.57 | 147647.74 | |
| Hippuric acid | 1641515.63 | 3849561.59 | 1806678.70 | |
| Homovanillic acid | 7511662.05 | 4907941.01 | 3674210.35 | |
| Indole-2-carboxylic acid | 4996320.80 | 6533683.61 | 3099387.06 | |
| Indole-3-lactic acid | 41936580.34 | 21084767.50 | 9992580.36 | |
| Indole-3-pyruvic acid | 1050395.44 | 220610.53 | 533868.91 | |
| Inosine | 6381266.95 | 4920721.34 | 19252628.08 | |
| Inositol | 4113377.62 | 3931783.75 | 2207952.23 | |
| Isobutyryl carnitine | 2809579.84 | 3338320.08 | 1850316.12 | |
| Isorhapontigenin | 1017289.05 | 1121370.84 | 422774.30 | |
| Jasmonic acid | 517112.85 | 691027.53 | 523933.84 | |
| JWH 018 N-pentanoic acid metabolite | 700288.91 | 392755.49 | 1563355.51 | |
| JWH 250 N-pentanoic acid metabolite | 3302529.20 | 2587916.97 | 5509116.70 | |
| Kaempferitrin | 274853.21 | 93249.69 | 106062.14 | |
| Lactobionic acid | 1628197.94 | 1222540.15 | 923456.22 | |
| L-Aspartic acid | 12851261.73 | 21837062.02 | 6199763.80 | |
| Lauric acid | 1008034.83 | 861726.30 | 908909.26 | |
| Lauric acid ethyl ester | 3434706.96 | 3853386.17 | 2736435.70 | |
| L-beta-Imidazolelactic acid | 692517.95 | 1381312.44 | 908994.96 | |
| L-Cysteine-glutathione gisulfide | 1953778.81 | 2050547.61 | 2193261.68 | |
| L-Cysteinesulfinic acid | 1491028.42 | 457444.17 | 373667.18 | |
| L-Cystine | 1598129.45 | 485867.96 | 669906.75 | |
| L-Dihydroorotic Acid | 437546.87 | 73725.41 | 58302.68 | |
| Leucine-enkephalin | 398348.15 | 287266.06 | 172475.40 | |
| Leukotriene C4 | 470046.62 | 90786.94 | 734828.41 | |
| Levodopa | 2311777.86 | 1965001.62 | 1851146.70 | |
| L-Hydroxyproline | 3335069.51 | 3243748.63 | 3403014.41 | |
| Lignoceric acid | 367579.67 | 89913.55 | 198339.07 | |
| lipoamide | 1896168.41 | 3085163.36 | 2090903.58 | |
| Lipoic acid | 2527978.32 | 878344.98 | 874925.19 | |
| Liquiritigenin | 1061301.15 | 793863.73 | 299347.41 | |
| Lithocholic Acid | 13021380.70 | 11720086.11 | 12170220.82 | |
| LL-2,6-Diaminopimelate | 2098271.15 | 2052548.38 | 2599865.10 | |
| LNAPE 16:0/N-18:2 | 1880218.93 | 3219122.74 | 1963609.95 | |
| LNAPE 18:2/N-18:2 | 3816347.57 | 2733053.33 | 1386131.59 | |
| LNAPS 2:0/N-2:0 | 444014.09 | 808603.50 | 151995.44 | |
| LNAPS 22:4/N-16:3 | 454479.40 | 298451.82 | 329347.97 | |
| L-Ornithine | 1980784.05 | 1032863.71 | 1592778.71 | |
| LPA 14:1 | 216068.43 | 36636.46 | 67750.53 | |
| LPA 18:0 | 10204611.18 | 10051897.79 | 8348642.75 | |
| LPA 22:0 | 11611167.25 | 13882491.34 | 16801460.31 | |
| L-Palmitoylcarnitine | 12782979.32 | 3285073.07 | 3180423.28 | |
| LPC 14:0 | 1267493.42 | 837601.84 | 1217791.18 | |
| LPC 15:0 | 416851.65 | 236548.23 | 484839.95 | |
| LPC 16:0 | 96359163.18 | 38529833.81 | 62688138.10 | |
| LPC 16:1 | 1840523.40 | 1289851.79 | 1700139.66 | |
| LPC 18:0 | 15535363.34 | 4689767.68 | 8960185.39 | |
| LPC 18:1 | 8601195.51 | 4739222.57 | 9121529.41 | |
| LPC 18:2 | 5362259.27 | 6589105.92 | 11188244.79 | |
| LPC 20:1 | 333023.25 | 156268.62 | 615832.54 | |
| LPC 20:3 | 433378.34 | 146426.00 | 568024.54 | |
| LPC 20:4 | 849535.45 | 370884.49 | 2113572.03 | |
| LPC 22:5 | 301525.51 | 72324.20 | 133935.36 | |
| LPC O-16:0 | 3372770.23 | 690484.76 | 5327603.80 | |
| LPC O-16:1 | 79374.19 | 80466.12 | 446354.62 | |
| LPC O-18:0 | 565946.05 | 100233.57 | 355967.18 | |
| LPC O-18:1 | 862333.42 | 290166.08 | 1166427.28 | |
| LPE 13:0 | 807551.38 | 1012468.05 | 666387.75 | |
| LPE 14:0 | 2912919.68 | 1781463.42 | 2273207.45 | |
| LPE 15:0 | 30941034.48 | 3115717.22 | 12417107.25 | |
| LPE 15:1 | 2605679.10 | 2612020.48 | 2070558.99 | |
| LPE 16:0 | 363488.62 | 267174.86 | 639919.35 | |
| LPE 16:1 | 3866231.94 | 3470931.94 | 3419204.77 | |
| LPE 17:1 | 2469115.74 | 303339.92 | 3482934.85 | |
| LPE 18:0 | 3137529.08 | 167015.24 | 1471701.65 | |
| LPE 18:1 | 8851180.70 | 1657762.02 | 6281121.15 | |
| LPE 18:2 | 3306488.97 | 2074038.37 | 10425335.58 | |
| LPE 19:1 | 654479.10 | 70382.95 | 115229.63 | |
| LPE 20:3 | 270567.36 | 183770.83 | 940316.79 | |
| LPE 20:4 | 1399827.76 | 1217696.06 | 11774262.56 | |
| LPE 20:5 | 196846.74 | 120641.73 | 461960.39 | |
| LPE 22:4 | 156449.59 | 108821.48 | 907748.48 | |
| LPE 22:5 | 100699.92 | 84831.11 | 468179.80 | |
| LPE O-15:1 | 1966340.52 | 381159.55 | 386278.93 | |
| LPE O-16:2 | 3055710.65 | 1528781.71 | 476682.96 | |
| LPE O-17:2 | 1163749.78 | 381122.40 | 421601.23 | |
| LPE O-18:0 | 461365.48 | 43316.52 | 90411.68 | |
| LPE O-18:1 | 2291130.00 | 96099.34 | 430937.66 | |
| LPE O-18:2 | 1804668.05 | 512992.97 | 489382.52 | |
| LPE O-18:3 | 522611.80 | 112822.81 | 83965.55 | |
| LPG 15:0 | 25733416.15 | 25262049.62 | 21046751.36 | |
| LPG 16:0 | 27414631.97 | 18017477.43 | 16609589.64 | |
| LPG 16:1 | 566279.70 | 152864.84 | 236866.02 | |
| LPG 17:1 | 770849.07 | 1280359.46 | 1498332.15 | |
| LPG 18:2 | 220089.76 | 72951.33 | 182578.82 | |
| LPG 18:3 | 231970.30 | 1218625.69 | 398884.67 | |
| LPG 19:1 | 5661351.69 | 5660699.21 | 5631755.97 | |
| LPG 4:0 | 948268.98 | 532844.94 | 228944.44 | |
| LPG O-14:1 | 2548778.38 | 2371599.23 | 950778.80 | |
| LPG O-15:1 | 872919.89 | 230238.55 | 226011.51 | |
| LPG O-16:1 | 356442.39 | 200258.12 | 208420.07 | |
| LPI 14:0 | 4171817.94 | 4107170.93 | 1692786.91 | |
| LPI 15:0 | 2269081.63 | 2154998.11 | 1182460.62 | |
| LPI 16:0 | 5490350.54 | 2177090.29 | 2750122.46 | |
| LPS 18:0 | 3296396.72 | 224846.28 | 1594205.18 | |
| LPS 2:0 | 445685.41 | 444844.01 | 156770.51 | |
| L-Serine | 905535.10 | 1005403.03 | 1357750.72 | |
| L-(+)-Tartaric acid | 3758291742.06 | 3076091755.78 | 4451440044.76 | |
| L-Threonic acid | 386378.73 | 627333.10 | 353884.63 | |
| L-Tyrosine methyl ester | 325504.23 | 646616.39 | 343032.10 | |
| Luteolin | 3364491.64 | 7190356.73 | 3083750.22 | |
| Lysopc 14:0 | 12717944.79 | 15294255.90 | 8120998.71 | |
| Lysopc 16:2 (2N Isomer) | 151079.81 | 393628.90 | 143817.43 | |
| LysoPE 18:0 | 18637957.02 | 7521136.84 | 11165055.71 | |
| LysoPE 18:2 | 62125251.63 | 24173799.47 | 50078997.22 | |
| Lysops 22:6 | 510759.86 | 265431.66 | 723525.31 | |
| Malonic acid | 1789899.19 | 3341243.13 | 336771.63 | |
| MAM2201 N-pentanoic acid metabolite | 630836.40 | 867724.84 | 1913996.83 | |
| Medroxyprogesterone | 200605.06 | 1152323.55 | 192924.55 | |
| methadone-d9 | 30000219.02 | 11534869.28 | 104141084.04 | |
| methyl 2-[(2-acetyl-3-oxo-1-butenyl)amino]acetate | 3125017.30 | 4757381.00 | 2779927.42 | |
| Methyl-2-hydroxyisobutyric acid | 214915.57 | 56090.06 | 103685.38 | |
| methyl 2-mercapto-1-methyl-1H-imidazole-5-carboxylate | 68161.78 | 256814.09 | 69063.62 | |
| Methyl acetoacetate | 17573169.16 | 3185419.12 | 5469522.37 | |
| Methylgallate | 1685151.12 | 2337172.84 | 1049466.67 | |
| Methylsuccinic acid | 39255325.57 | 51167042.14 | 28802156.81 | |
| Mevalonic acid | 7123730.64 | 9485217.01 | 3689370.05 | |
| MGDG 2:0_16:0 | 846079.23 | 685190.11 | 143663.83 | |
| MGDG 2:0_18:0 | 1391186.03 | 82357.76 | 78899.90 | |
| MGDG O-13:1_4:0 | 685054.77 | 481870.82 | 2168207.15 | |
| MGDG O-17:1_2:0 | 161292.11 | 249859.26 | 195876.95 | |
| MGDG O-24:4_3:0 | 1776103.00 | 251401.90 | 165429.22 | |
| MGDG O-24:5_2:0 | 749154.94 | 382166.59 | 261724.15 | |
| MGDG O-24:5_3:0 | 253656.04 | 427286.72 | 273340.63 | |
| Milbemectin A3 | 20993255.50 | 11194872.02 | 11409336.05 | |
| Miquelianin | 788087.31 | 407790.46 | 261158.24 | |
| Monensin | 744136.19 | 360708.39 | 570341.88 | |
| Monobenzyl phthalate | 4734871.02 | 10476977.78 | 1456266.13 | |
| Monobutyl phthalate | 340018.83 | 490250.08 | 295559.88 | |
| Monomethyl phthalate | 8292693.75 | 7421944.27 | 5507436.07 | |
| Morphine-3-glucuronide | 348611.65 | 364661.20 | 2089349.10 | |
| Mycophenolic acid | 1373511.18 | 1031043.36 | 4849054.79 | |
| Myricetin | 314230.46 | 437632.93 | 143785.19 | |
| myricetin 3-O-beta-D-galactopyranoside | 739255.99 | 835504.94 | 802601.53 | |
| Myricitrin | 192039.67 | 1618859.97 | 220223.05 | |
| Myristic Acid | 2916268.39 | 463412.05 | 11395080.44 | |
| N1-[1-(3-isopropenylphenyl)-1-methylethyl]-3-oxobutanamide | 800013.33 | 1041616.51 | 1468567.34 | |
| N1-(2-methyl-4-nitrophenyl)acetamide | 671879.18 | 376244.98 | 379695.91 | |
| N1-[3-(acetylamino)-2-oxo-2H-chromen-6-yl]-4-nitrobenzamide | 319389.20 | 208660.61 | 241115.76 | |
| N1-(3-amino-4-chlorophenyl)-2-[2,4-di(tert-pentyl)phenoxy]ac... | 5310350.14 | 3529126.28 | 6667671.59 | |
| N1-(3-cyano-4,6-diphenyl-2-pyridyl)-4-methylbenzamide | 338661.85 | 1324427.23 | 987154.17 | |
| N1-(4-bromo-3-chlorophenyl)piperidine-1-carbothioamide | 4180566.04 | 770953.58 | 840346.13 | |
| N1-(4-chlorophenyl)-2-cyano-4,4-dimethyl-3-oxopentanamide | 292032.12 | 255391.88 | 191978.69 | |
| N1-(4-cyclohexylphenyl)-2-[(4-methylphenyl)thio]acetamide | 212468.21 | 130747.54 | 127801.88 | |
| N1-(4-morpholinophenyl)-2-methylbut-2-enamide | 339567.47 | 99682.31 | 143835.38 | |
| N1-methyl-2-{2-[(2-phenoxyethyl)thio]acetyl}hydrazine-1-carb... | 504051.53 | 387205.07 | 442743.11 | |
| N1-phenyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide | 676866.66 | 387989.18 | 231681.94 | |
| N^2-(2-furylcarbonyl)-3-chloro-4-methylthiophene-2-carbohydr... | 1024497.70 | 78795.57 | 82334.79 | |
| N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzamide | 280975.58 | 63268.99 | 55621.17 | |
| N-[2-(6-amino-9H-purin-9-yl)ethyl]-N-(2-furylmethyl)amine | 227935.16 | 252368.57 | 157527.71 | |
| N-(2,6-Dimethylphenyl)-N-(methoxyacetyl) alanine | 2154748.31 | 6706616.40 | 2694613.02 | |
| N-(2-oxo-3-azepanyl)-5-(2-pyridinyl)-2-thiophenesulfonamide | 1414898.90 | 186130.25 | 202616.81 | |
| N-[4-(2,6-dimethylmorpholino)phenyl]-N^-(2-thienylmethyl)thi... | 672752.07 | 228982.88 | 236630.01 | |
| N^-(4-chlorobenzoyl)-3-[4-(trifluoromethoxy)phenyl]acrylohyd... | 832904.54 | 287447.01 | 379663.40 | |
| N-{6-[(7-chloro-4-quinazolinyl)oxy]-3-pyridinyl}-4-methoxybe... | 232163.05 | 249957.40 | 744798.62 | |
| N6-Succinyl Adenosine | 1171855.34 | 438355.91 | 1730641.90 | |
| N-Acetyl-1-aspartylglutamic acid | 3885209.80 | 961665.94 | 6547106.97 | |
| N-Acetyl-5-aminosalicylic acid | 961226.46 | 1215745.54 | 539238.05 | |
| N-Acetylalanine | 8031308.10 | 11562446.46 | 8685080.24 | |
| N-Acetylaspartic acid | 19090304.81 | 20161366.26 | 8372309.52 | |
| N-Acetyl-D-alloisoleucine | 70490250.12 | 49704683.57 | 42770501.69 | |
| N-Acetyl-D-galactosamine 4-sulfate | 8437066.61 | 4282672.66 | 5007975.23 | |
| N-Acetyl-DL-glutamic acid | 28867592.82 | 21051731.25 | 17136244.03 | |
| N-Acetyl-DL-norvaline | 7115077.39 | 6757019.26 | 5745230.81 | |
| N-Acetyl-DL-tryptophan | 1756995.95 | 1349370.89 | 1092479.42 | |
| N-Acetylglucosamine 1-phosphate | 1425597.02 | 2994350.19 | 1277803.76 | |
| N-Acetylglycine | 2062093.77 | 2408191.77 | 2449633.29 | |
| N-Acetylhistidine | 1005440.82 | 1552518.47 | 1214219.18 | |
| N-Acetyl-L-histidine | 236766.35 | 77925.49 | 62643.22 | |
| N-Acetyl-L-methionine | 8408994.88 | 4356825.89 | 1489791.52 | |
| N-Acetyl-L-phenylalanine | 38985894.34 | 24279429.03 | 12677511.64 | |
| N-Acetyl-L-tyrosine | 7326444.67 | 10864681.59 | 4693962.92 | |
| N-Acetylmannosamine | 936124.36 | 1325845.22 | 1114083.02 | |
| N-Acetylneuraminic acid | 33781502.59 | 19608362.79 | 12539468.03 | |
| N-Acetylsphingosine | 2768369.11 | 3317237.23 | 1548276.06 | |
| N-Acetylvaline | 1927913.30 | 3773910.20 | 2451742.21 | |
| NAGly 16:0/24:4 | 697538.33 | 1225791.76 | 2771724.62 | |
| NAGly 18:1/24:4 | 263185.84 | 852653.36 | 2843455.73 | |
| NAGlySer 15:0/15:0 | 161124.28 | 305061.79 | 1993048.40 | |
| NAGlySer 16:0/22:1 | 426541.94 | 360713.82 | 138786.49 | |
| NAGlySer 17:1/22:1 | 3069796.50 | 835607.92 | 438756.40 | |
| NAGlySer 19:2/22:1 | 129377.30 | 88535.68 | 70356.26 | |
| NAGlySer 24:3/19:1 | 692615.11 | 424379.58 | 871121.15 | |
| Naringenin | 10461457.76 | 20229119.07 | 8080576.10 | |
| Naringin | 5524443.02 | 2970186.00 | 1923937.79 | |
| Neohesperidin | 24785369.72 | 17875874.92 | 7707443.60 | |
| Nervonic acid | 3134691.86 | 4773439.88 | 3270474.01 | |
| N^-hydroxy-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanimidam... | 827530.96 | 868624.87 | 432601.01 | |
| Nicotinamide N-oxide | 590905.47 | 240660.13 | 294266.10 | |
| N-Isovalerylglycine | 9089406.35 | 7121334.73 | 7998818.25 | |
| N-lactoyl-phenylalanine | 7377652.33 | 5323547.66 | 5095336.48 | |
| N-Oleoyl dopamine | 4464078.55 | 775338.19 | 8935321.83 | |
| N-Oleoyl Glycine | 4371087.58 | 288949.17 | 580581.79 | |
| nor-6β-Oxycodol | 556445.15 | 565168.31 | 570475.73 | |
| N-Phenylacetylglutamine | 2750281.24 | 4867649.66 | 5746070.71 | |
| Octanedioic acid | 1432892.77 | 1957146.61 | 1889116.47 | |
| Ofloxacin impurity E | 1963155.77 | 2772501.01 | 3236091.90 | |
| Oleoyl-L-alpha-lysophosphatidic acid | 290185.50 | 212430.23 | 283135.81 | |
| Oleoyl-L-α-lysophosphatidic acid | 3209926.25 | 163033.54 | 82526.12 | |
| Ornithine | 7014997.19 | 647340.14 | 735186.98 | |
| Orotic acid | 564644.56 | 450967.90 | 1726358.23 | |
| O-Succinylhomoserine | 1042287.85 | 657660.67 | 469883.70 | |
| Ouabain | 994948.97 | 577704.87 | 360199.83 | |
| Oxaloacetate | 1403050.12 | 2621933.33 | 358511.36 | |
| Oxaloacetic acid | 14636404.67 | 16118618.02 | 22787443.24 | |
| Oxazepam | 165033.43 | 337522.99 | 227311.08 | |
| Oxoadipic Acid | 8769933.93 | 17315185.91 | 1901120.75 | |
| Palmitic acid | 250743735.71 | 43765566.03 | 69304159.86 | |
| Pantothenic acid | 76482852.52 | 56434406.75 | 41677144.17 | |
| PB-22 N-pentanoic acid-3-carboxyindole metabolite | 1447851.44 | 511682.36 | 243117.91 | |
| PC O-18:5_2:0 | 183989.19 | 471713.90 | 175568.71 | |
| PE 14:0_16:0 | 54799.31 | 442195.07 | 70251.22 | |
| PE 15:0_16:0 | 13132235.10 | 11115434.34 | 5795751.23 | |
| PE 15:0_17:1 | 1348606.67 | 1013065.22 | 806095.64 | |
| PE 16:0_18:1 | 2361114.63 | 3048298.99 | 7566357.60 | |
| PE 16:0_19:1 | 995435.51 | 1353409.00 | 541621.86 | |
| PE 17:0_17:1 | 444035.26 | 607172.16 | 1377064.82 | |
| PE 17:1_18:1 | 325093.75 | 216652.76 | 334146.34 | |
| PE 18:1_18:2 | 200999.87 | 450102.07 | 138396.37 | |
| PE-Cer 12:0;2O/23:0;O | 406790.75 | 1557089.01 | 307719.98 | |
| Pentadecanoic acid | 24192765.84 | 9235909.78 | 10617370.43 | |
| PE O-18:1_18:1 | 1795445.86 | 1452861.95 | 3806793.82 | |
| PG 18:2_18:2 | 651651.11 | 472441.23 | 442465.90 | |
| Phenylacetaldehyde | 19299430.67 | 15390811.96 | 10828893.00 | |
| Phenylglyoxylic acid | 2880544.86 | 1991242.70 | 2277507.07 | |
| Phenylpyruvic acid | 418794.70 | 323938.49 | 368571.79 | |
| Phe-Phe | 2120167.88 | 4180897.67 | 2234159.00 | |
| Phloretin | 1661382.19 | 12419865.66 | 457260.11 | |
| Piceatannol | 345373.41 | 184394.29 | 152331.96 | |
| Piceid | 1260069.58 | 1693116.04 | 780196.50 | |
| PI-Cer 12:0;2O/23:0;O | 1867242.01 | 1716324.02 | 2652759.36 | |
| Picrotin | 1182249.71 | 2145950.04 | 562100.26 | |
| Picrotoxinin | 959509.91 | 360137.34 | 153057.90 | |
| Pimelic acid | 5175276.20 | 8147910.62 | 7593451.10 | |
| Porphobilinogen | 13441893.69 | 10100076.32 | 14863933.40 | |
| Prostaglandin A1 ethyl ester | 4054081.06 | 2896087.29 | 2148242.89 | |
| Prostaglandin A3 | 742652.46 | 394869.69 | 243768.01 | |
| Prostaglandin E1 Ethanolamide | 244187.09 | 731084.17 | 783283.78 | |
| Prostaglandin E2 | 219213.29 | 493834.48 | 304587.02 | |
| Prostaglandin F3α | 275291.04 | 183879.79 | 277269.27 | |
| Prostaglandin H2 | 392583.36 | 1159650.14 | 200621.53 | |
| Prostaglandin K1 | 4096748.88 | 3154277.02 | 5211478.61 | |
| Protocatechuic acid | 3983132.58 | 4601348.74 | 2607028.49 | |
| Protoporphyrin IX | 590731.24 | 76455.12 | 123802.00 | |
| Pseudouridine | 2076411.43 | 1675235.48 | 2452814.82 | |
| PS O-24:2_16:4 | 345951.05 | 263216.81 | 637369.92 | |
| Purine | 128472.11 | 59591.69 | 426667.12 | |
| Pyrogallol | 4607688.46 | 4970809.09 | 3270666.66 | |
| Quercetin | 6957982.72 | 8383788.38 | 1364361.43 | |
| Quinoline-4-carboxylic acid | 3409220.37 | 789722.27 | 1797206.28 | |
| (R)-3-Hydroxy myristic acid | 21912470.47 | 5699207.89 | 25752655.48 | |
| Resveratrol | 1454987.92 | 468367.48 | 270130.11 | |
| Riboflavin-5-phosphate | 953170.47 | 421244.86 | 590290.89 | |
| Rifampicin | 34314596.37 | 6573939.28 | 15101251.68 | |
| Roquefortine C | 934711.65 | 394829.26 | 1199607.30 | |
| Rutin | 1933054.62 | 715001.22 | 470764.06 | |
| Saccharin | 552531.69 | 248400.18 | 307468.60 | |
| S-Adenosylhomocysteine | 1567165.96 | 2839055.59 | 2713779.37 | |
| S-Adenosyl-L-methionine | 315273.18 | 190769.75 | 193919.89 | |
| Salicylic acid | 14099084.57 | 16744695.81 | 13682558.97 | |
| Sebacic acid | 923081.74 | 796227.30 | 757301.67 | |
| Sildenafil-d3 | 288383.74 | 255130.46 | 2083130.32 | |
| SL 21:0;O/20:3 | 388417.78 | 411539.37 | 203115.51 | |
| (S)-Leucic acid | 8435291.62 | 5464429.21 | 5610573.76 | |
| SM 8:0;2O/10:0 | 806985.75 | 911314.46 | 867668.07 | |
| SM 8:1;2O/34:0 | 1327049.66 | 529480.29 | 445488.20 | |
| SMGDG O-20:1_2:0 | 428852.13 | 253758.53 | 467836.63 | |
| Sorbitan monopalmitate | 1170460.18 | 2492047.19 | 315048.54 | |
| Soyasaponin I | 4319804.81 | 1981749.42 | 2760338.28 | |
| ST 24:1;O2;G | 1693968.81 | 550241.17 | 1571803.06 | |
| ST 24:1;O4/18:0 | 13408350.56 | 16110935.78 | 7932042.69 | |
| ST 24:1;O4/18:1 | 14339290.41 | 12555549.42 | 30096292.05 | |
| ST 24:1;O4/20:2 | 70280.74 | 109926.82 | 980059.02 | |
| ST 24:1;O4/20:3 | 260097.36 | 364284.10 | 455569.47 | |
| ST 24:1;O4;T | 1506946.66 | 1034483.61 | 1718055.10 | |
| ST 24:1;O5;G;S | 1110625.03 | 1275477.69 | 942864.80 | |
| ST 24:2;O4 | 2634464.17 | 2934561.52 | 2072989.59 | |
| ST 27:1;O;S | 12941246.45 | 6556672.92 | 16803950.69 | |
| ST 28:1;O;S | 3006708.50 | 1089594.43 | 2301125.07 | |
| ST 28:2;O;S | 9034229.01 | 11540717.87 | 2687991.00 | |
| ST 29:1;O;Hex;FA 18:1 | 4321866.68 | 1104969.62 | 1338725.55 | |
| ST 29:1;O;S | 7373898.86 | 7947372.11 | 6818975.95 | |
| Stearic acid | 1228617.28 | 1663706.46 | 2965156.41 | |
| Stercobilin | 80016191.99 | 152815370.92 | 113464084.65 | |
| Suberic acid | 6592107.72 | 12459383.00 | 8741393.99 | |
| Succinic acid | 95747576.02 | 66084032.71 | 92224430.13 | |
| Succinic semialdehyde | 684135.92 | 552151.03 | 852003.05 | |
| Sucrose | 415515.58 | 1278853.33 | 693974.28 | |
| Sulfamethoxazole hydroxylamine | 903227.53 | 1669729.87 | 643731.31 | |
| Syringic acid | 4675854.61 | 8759130.93 | 981083.92 | |
| Tanespimycin | 302406.86 | 170602.89 | 76226.46 | |
| Taurine | 33278824.72 | 28770411.50 | 2473850.11 | |
| Taurochenodeoxycholic acid | 59824886.15 | 9202065.02 | 49314690.88 | |
| Taurolithocholic acid | 10185930.02 | 4405692.53 | 31250194.49 | |
| Terephthalic acid | 997519.12 | 986801.89 | 953852.17 | |
| Testosterone sulfate | 11900860.37 | 9326422.49 | 11909041.77 | |
| Tetradecanedioic acid | 228465.89 | 315133.69 | 124814.91 | |
| Tetrahydroaldosterone | 1135569.64 | 681162.61 | 798725.25 | |
| tetranor-12(R)-HETE | 385231.71 | 434381.99 | 415039.12 | |
| Tetranor-12R-HETE | 519237.93 | 1228928.03 | 396154.69 | |
| Threonine | 6358463.24 | 3399195.17 | 3051027.37 | |
| Thymidine | 5531543.19 | 2717135.08 | 2515174.40 | |
| Thymidine 5^-diphosphate | 28915.97 | 333848.24 | 32606.80 | |
| trans-10-Heptadecenoic acid | 336654833.74 | 20702232.04 | 20876826.51 | |
| trans-2-Butene-1,4-dicarboxylic Acid | 1232085.72 | 1522779.18 | 1493858.20 | |
| trans-Aconitic acid | 1352632.94 | 1079343.95 | 1565583.04 | |
| trans-Cinnamic acid | 11918344.47 | 6787623.13 | 7902872.98 | |
| trans-Petroselinic acid | 512599.43 | 672785.00 | 9574630.76 | |
| Traumatic acid | 2946974.60 | 4065346.10 | 3351279.66 | |
| Trehalose 6-phosphate | 1194949.95 | 1771363.01 | 1375704.63 | |
| Tretinoin | 5454562.93 | 14434563.51 | 35998741.36 | |
| Trifolin | 1017656.72 | 517444.18 | 389800.47 | |
| Trolox | 688002.82 | 681160.38 | 662975.74 | |
| Tyrosol | 4550543.15 | 5063261.30 | 3758350.33 | |
| Tyrosylalanine | 6455852.31 | 6249853.21 | 13400592.98 | |
| UDP-N-acetylglucosamine | 12783174.02 | 16201345.56 | 14797971.63 | |
| Ureidosuccinic acid | 1184365.77 | 642947.28 | 764826.70 | |
| Uric acid | 18127435.78 | 2485732.72 | 49309957.30 | |
| Uridine | 6352741.75 | 6374020.35 | 25900883.06 | |
| Uridine monophosphate (UMP) | 925539.02 | 1914032.20 | 4463949.70 | |
| Ursolic acid | 20894690.06 | 11871670.60 | 15859653.09 | |
| Valeric acid | 1008921.80 | 408044.85 | 455985.36 | |
| Valsartan metabolite | 228815.93 | 248262.88 | 870010.07 | |
| Vanillic acid | 1061036.87 | 2454425.33 | 1094957.79 | |
| Xanthosine | 4105678.45 | 3040575.31 | 3705700.94 | |
| Xanthurenic Acid | 1324804.98 | 1560096.44 | 1300412.85 | |
| α-D-Glucose-1,6-bisphosphate | 425332.54 | 352585.97 | 1229257.13 | |
| α-Estradiol | 5306526.85 | 1967637.79 | 7608050.38 | |
| α,α-Trehalose | 1580131.82 | 3298359.11 | 1706957.91 | |
| β-D-Glucopyranuronic acid | 14541963.66 | 16050369.20 | 3142509.56 | |
| β-Estradiol-17β-glucuronide | 546943.64 | 327331.84 | 501862.28 | |
| β-Muricholic acid | 786111437.15 | 580134579.91 | 927687448.88 | |
| Δ17-6-keto prostaglandin F1α | 6806572.12 | 9320269.36 | 8346734.22 | |
| δ-Gluconic acid δ-lactone | 1785808.92 | 7558925.87 | 1256747.19 | |
| δ-Ribono-1,4-lactone | 11679105.12 | 7437506.90 | 7969923.33 |
Factors:
| F1 | Sample source:human_stool | Treatment:post-4-week cholestyramine |
| F2 | Sample source:human_stool | Treatment:pre-4-week cholestyramine |
| F3 | Sample source:human_stool | Treatment:ursodeoxycholic acid |