Data for ST003896
| Metabolite structure | All data | F1 | F2 | F3 |
|---|---|---|---|---|
| 10-Hydroxy-2-decenoic acid | 4487076.08 | 4332455.76 | 5342385.92 | |
| 10-Hydroxydecanoic acid | 201576.83 | 212547.99 | 268323.84 | |
| "1,11-Undecanedicarboxylic acid" | 429841.16 | 417660.01 | 440691.69 | |
| 12(13)Ep-9-KODE | 4095749.72 | 3453468.49 | 3657339.15 | |
| "12alpha-12-Hydroxy-7,13-abietadien-18-oic acid" | 644048.98 | 1095539.06 | 719137.81 | |
| "1,2-Cyclohexanedicarboxylic acid" | 802464.20 | 912983.31 | 945962.86 | |
| "1,2-Dilauroyl-sn-glycero-3-phosphocholine" | 381426134.15 | 321574195.60 | 325714349.80 | |
| "1-(3,4-dihydroxyphenyl)-2-methyl-1-Propanone" | 2054562.69 | 2244312.50 | 2141057.18 | |
| "1,3,5-Trihydroxybenzene" | 13694251.40 | 13458991.09 | 16487987.78 | |
| "1,3-Dicyclohexylurea" | 9534341.68 | 7931980.55 | 13132070.73 | |
| 13-Docosenamide | 1330175078.79 | 1216734326.04 | 1270249997.81 | |
| "(13E)-11a-Hydroxy-9,15-dioxoprost-13-enoic acid" | 14563709.65 | 17302447.41 | 16776631.30 | |
| 13-HOTE | 8518935.68 | 4755009.26 | 4713670.19 | |
| ( )13-HpODE | 3407861.29 | 2252874.57 | 2329949.33 | |
| "15,16-DiHODE" | 4239011.75 | 3485225.49 | 4131290.54 | |
| 15-Hexadecynoic acid | 1575732.63 | 1521678.51 | 1468592.63 | |
| "(15Z)-9,12,13-Trihydroxy-15-octadecenoic acid" | 1319918.48 | 1110381.08 | 1078587.05 | |
| 19-Hydroxyprostaglandin E1 | 1442388.51 | 2098505.79 | 1873005.51 | |
| 1-Cyclohexene-1-carboxylic acid | 3285019.55 | 3300724.96 | 3391923.86 | |
| 1-Hexadecanoyl-2-octadecadienoyl-sn-glycero-3-phosphocholine | 12714807016.15 | 11281630048.52 | 11385353918.93 | |
| 1-Hydroxy-2-naphthoic acid | 44969282.83 | 54189216.50 | 60597130.99 | |
| 1-O-Hexadecyl-2-arachidonoyl-sn-glycero-3-phosphocholine | 2040141837.89 | 1579064161.84 | 1645433704.81 | |
| (20R)-17-Hydroxypregnenolone sulfate | 928970.09 | 898523.98 | 979810.28 | |
| 2-((2R)-2-Hydroxycyclohexyl)acetic acid | 2973694.60 | 1204083.57 | 993393.15 | |
| 2-(4-Methylphenyl)-1-propanol | 196183.32 | 184366.45 | 190401.90 | |
| "2,6-Di-tert-butylbenzoquinone" | 2944919.70 | 2793576.82 | 2551871.74 | |
| (2-Acetyloxy-3-octadecoxypropyl) 2-(trimethylazaniumyl)ethyl... | 36981089.47 | 31551707.07 | 32180792.29 | |
| 2-Amino-3-(1-pyrazolyl)propanoic acid | 1580424.51 | 1551669.42 | 1546786.93 | |
| 2-Aminoisobutyric acid | 81631131.59 | 80608808.42 | 79640287.55 | |
| 2-Butyloctyl sulfate | 7967352.06 | 7887390.66 | 7546762.54 | |
| "(2E,4Z)-9-Oxo-2,4-octadecadienoic acid" | 1022103.24 | 708777.62 | 782961.53 | |
| 2-Hydroxy-3-methylbutyric acid | 72472618.26 | 66683740.15 | 63001729.88 | |
| 2-Hydroxyglutaric acid | 1211983.88 | 1212475.80 | 1233501.55 | |
| "2-Methoxy-3,4-dimethylphenyl acetate" | 19265553.40 | 15951935.60 | 17780369.62 | |
| 2-Methylglutaric acid | 815614.49 | 793364.59 | 796049.84 | |
| 2-Octenoylcarnitine | 130622257.72 | 109743066.47 | 111916066.17 | |
| 2^-O-Methyluridine | 1622029.26 | 2471915.92 | 1733596.27 | |
| 2-Piperidinone | 263428029.92 | 207174497.35 | 239578187.66 | |
| 2-Propenoic acid | 496655.58 | 444696.51 | 462650.83 | |
| 2-Propylglutaric acid | 674053.96 | 712846.64 | 726107.92 | |
| "(2R)-2-Hydroxy-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-p... | 4198801.28 | 4547389.54 | 4628530.53 | |
| 2-Tridecenal | 3310476.06 | 3852230.89 | 3457419.00 | |
| 3-(2-Ethylhexyl)phthalic acid | 1418321.08 | 1237033.13 | 1299121.57 | |
| "3,4-Dihydroxymandelic acid" | 7506694.96 | 8462575.83 | 8684416.85 | |
| "3,4-Dimethylbenzaldehyde" | 25233777.90 | 26667580.89 | 26638925.65 | |
| "3alpha,7alpha,12beta-Trihydroxy-5beta-cholanoic acid" | 1178855.09 | 1019206.38 | 1027028.25 | |
| 3alpha-Hydroxy-5alpha-pregnan-20-one sulfate | 3943503.11 | 3916809.71 | 4216561.08 | |
| "3a-Methyl-2,3,4,5,5a,10,10a,10b-octahydro-1H-cyclopenta[a]f... | 290378.62 | 466832.76 | 331062.19 | |
| 3-Amino-4-methylpentanoic acid | 3455743.25 | 3476693.48 | 3381127.56 | |
| "3-Aminopiperidine-2,6-dione" | 55045043.22 | 50724488.06 | 53246040.73 | |
| 3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid | 67084197.45 | 70475523.47 | 73447349.15 | |
| 3-Hydroxybenzoic acid | 6890968.43 | 6807505.46 | 7225286.86 | |
| 3-Hydroxycholest-5-en-7-one | 2119161.85 | 1801319.22 | 1754426.16 | |
| 3-Hydroxyisovalerylcarnitine | 3725184.21 | 3516195.54 | 3344453.70 | |
| 3-Hydroxymethylglutaric acid | 243745.64 | 244067.40 | 277510.22 | |
| 3-Isopropylmalic acid | 564823.61 | 609098.50 | 594242.03 | |
| 3-Methylindole | 2140726.28 | 2037066.57 | 2197395.89 | |
| 3-oxocholest-4-en-26-oate | 1672900.32 | 1119168.03 | 1094563.56 | |
| 3-Oxoglutaric acid | 8095601.93 | 8080949.96 | 7726744.78 | |
| 3-Phenoxypropylene di(acetate) | 557567.97 | 622020.25 | 580982.14 | |
| 3-Phenyllactic acid | 263518525.63 | 263700551.94 | 269627280.22 | |
| "(3x,5a,9x,10b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbellifer... | 5568849.96 | 5735469.88 | 5646355.27 | |
| "4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldeh... | 1104610.64 | 1231602.24 | 1126323.33 | |
| "4,6-Dinitro-O-cresol" | 384582.76 | 407330.30 | 407833.36 | |
| 4-Acetamidobutanoic acid | 518182.08 | 510865.86 | 533807.86 | |
| 4-Chlorophenoxyacetic acid | 635472.10 | 716465.73 | 630026.76 | |
| 4-Hydroxydodecanoic acid | 1917195.67 | 1888063.36 | 2225935.94 | |
| 4-Nitrophenol | 2686015.09 | 2826622.44 | 2910994.22 | |
| 4-Pyridoxic acid | 582927.39 | 796099.83 | 630018.53 | |
| 4-tert-Butylphenol | 502940.58 | 446989.63 | 428314.18 | |
| 5a-Androstan-3b-ol | 2401563.00 | 2394753.43 | 2441805.65 | |
| 5-Bromotryptophan | 1471148.45 | 1519517.65 | 1479711.47 | |
| 5-Hydroxyindole | 8893346.42 | 8330597.22 | 8362699.73 | |
| 5-Hydroxyindoleacetic acid | 12650977.24 | 13948021.62 | 15236391.40 | |
| 5-KETE | 2810008.19 | 2430523.89 | 2248300.79 | |
| "5-Methyl-4-((1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohex... | 314737.49 | 319645.07 | 320091.11 | |
| "(5Z)-11-Oxoprosta-5,9,12,14-tetraene-1-oic acid" | 2005691.14 | 2485245.84 | 1968560.16 | |
| "(5Z,8Z)-Tetradecadienoylcarnitine" | 9629729.68 | 3742960.01 | 3985273.30 | |
| 5Z-Dodecenoic acid | 8439562.94 | 8549188.07 | 8530507.45 | |
| 7a-Hydroxy-cholestene-3-one | 10869889.39 | 6418847.44 | 7789598.99 | |
| 7alpha-Hydroxy-3-oxo-4-cholestenoate | 28217591.85 | 18422078.52 | 17729159.43 | |
| 7-Epi-12-hydroxyjasmonic acid | 585727.95 | 523152.11 | 599076.12 | |
| "8,13-Abietadien-18-oic acid" | 2819187.04 | 2553932.29 | 2650692.11 | |
| 8-oxononanoic acid | 2275049.31 | 1897848.05 | 1839117.93 | |
| "9,10-DHOME" | 3646941.75 | 2568678.72 | 2728635.65 | |
| "9,10-Epoxy-18-hydroxy-octadecanoic acid" | 38792898.67 | 26805354.65 | 26774159.42 | |
| "9,10-Epoxyoctadecenoic acid" | 206011067.07 | 138527077.91 | 144511500.29 | |
| "9,10-Epoxystearic acid" | 462133532.09 | 379402362.00 | 389251679.80 | |
| 9-cis-Retinal | 592928.54 | 714741.33 | 617616.61 | |
| 9(S)-HOTrE | 20725885.65 | 11977908.82 | 11631884.21 | |
| 9(S)-HpODE | 7079974.09 | 7037110.70 | 7867518.78 | |
| "(9Z,12Z)-6-hydroxyoctadeca-9,12-dienoic acid" | 84711288.43 | 61264144.80 | 61535421.64 | |
| Acetaminophen glucuronide | 483584.89 | 13093595.24 | 9609751.11 | |
| Acoric acid | 393079.15 | 405020.24 | 406416.58 | |
| Alanine | 39213396.00 | 38546373.34 | 41335119.88 | |
| Alanylglycine | 181955028.33 | 184539510.72 | 184658739.19 | |
| Alloxanthin | 5365118.99 | 2902118.60 | 3158515.73 | |
| Allysine | 7660163.06 | 7915604.67 | 8906633.83 | |
| alpha-Hydroxyisobutyric acid | 29448789.93 | 19671176.51 | 24879443.84 | |
| alpha-Ionone | 486344.96 | 462241.33 | 436417.93 | |
| alpha-Ketoisovaleric acid | 36481214.24 | 32227253.09 | 35304304.89 | |
| alpha-Linolenic acid | 18465148.02 | 15006361.42 | 15254604.90 | |
| Androstenediol 3-sulfate | 39306661.22 | 44696001.86 | 43455369.01 | |
| Arabinonic acid | 31419045.98 | 33392158.09 | 37577326.63 | |
| Arabinopyranose | 10612304.14 | 9654943.38 | 11526635.42 | |
| Arachidic acid | 13087851.40 | 12842142.51 | 12825271.29 | |
| Arachidonic acid | 10718104.65 | 10934129.50 | 8769687.37 | |
| Arginine | 803821437.29 | 165606906.93 | 186652390.14 | |
| Auberganol | 1624136.84 | 1547884.99 | 1559990.88 | |
| Avocadene 1-acetate | 2583473.86 | 2701289.61 | 2561184.85 | |
| Azelaic acid | 1670609.03 | 2140176.36 | 2285748.77 | |
| Benzaldehyde | 5015580.06 | 4668925.48 | 5185424.53 | |
| Benzoic acid | 57514549.86 | 64937134.36 | 71613291.75 | |
| beta-Muricholic Acid | 787061.96 | 577726.05 | 566739.71 | |
| Bilirubin | 504687953.23 | 256060565.35 | 364834120.48 | |
| Biliverdin | 387402.75 | 360166.43 | 382173.36 | |
| Blumenol C glucoside | 688885664.93 | 604776409.23 | 659558910.40 | |
| But-2-enoic acid | 2838511.37 | 2850332.94 | 2853962.07 | |
| C75 trans | 753191.32 | 757922.38 | 731055.30 | |
| Caffeine | 119751267.45 | 95718343.57 | 101686206.39 | |
| Chenodeoxycholic acid | 1960496.04 | 1656963.10 | 1533058.07 | |
| Chenodeoxycholic acid 24-acyl-D-glucuronide | 594662.60 | 558575.83 | 589570.18 | |
| Cholesterol sulfate | 24327022.53 | 20825298.75 | 22627967.13 | |
| Cholic acid | 3566869.82 | 2242460.65 | 2210243.56 | |
| Cinnamaldehyde | 3608154.86 | 3923828.67 | 3869588.12 | |
| cis-12-Oxophytodienoic acid | 1745328.22 | 1141785.06 | 1560218.25 | |
| cis-4-Hydroxyproline | 6342454.08 | 6642054.45 | 6488683.28 | |
| cis-Aconitic acid | 35074137.73 | 38584680.17 | 37865082.24 | |
| cis-Vaccenic acid | 1405179.81 | 1255926.73 | 1299368.60 | |
| Citramalic acid | 10146793.65 | 11993029.44 | 11886327.23 | |
| Citrulline | 18763504.03 | 15378434.33 | 15084140.99 | |
| Copalic acid | 710416.50 | 840324.96 | 669813.92 | |
| Corticosterone | 400689.57 | 447514.57 | 450828.08 | |
| Cortisol | 25007253.18 | 15196328.56 | 21117997.47 | |
| Creatinine | 1102604350.85 | 1189445100.58 | 1235360121.23 | |
| Curcumol | 885694.83 | 910014.26 | 877053.01 | |
| Decanoylcarnitine | 165303751.76 | 63155264.42 | 70876540.73 | |
| Decenoylcarnitine | 89778135.69 | 38962612.01 | 45552766.27 | |
| Dehydroepiandrosterone | 451853.12 | 448850.52 | 443005.33 | |
| Dehydroepiandrosterone sulfate | 7196980.02 | 7750695.29 | 8055544.06 | |
| Deoxycholic acid | 7443010.21 | 6175159.64 | 5971444.43 | |
| Deoxycholylglycine | 8825466.89 | 18997484.27 | 17943946.37 | |
| Deoxycorticosterone acetate | 2924564.48 | 2845590.80 | 2728673.28 | |
| Dephostatin | 39220767.46 | 37037977.97 | 40321359.52 | |
| DG(16:0/18:1(9Z)/0:0) | 4958276.32 | 4007662.05 | 4089193.48 | |
| "DG(16:0/18:2(9Z,12Z)/0:0)" | 2498233.59 | 2319434.35 | 2284319.92 | |
| "DG(18:0/18:2(9Z,12Z)/0:0)" | 21478106.74 | 16039886.18 | 16051420.02 | |
| "DG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)" | 1582711.89 | 1306218.78 | 1351905.15 | |
| DG(18:1(9Z)/16:0/0:0) | 3555994.11 | 3232418.83 | 2959696.32 | |
| "DG(18:2(9Z,12Z)/18:1(9Z)/0:0)" | 18284724.60 | 17314183.62 | 17445229.54 | |
| "DG(18:2(9Z,12Z)/18:2(9Z,12Z)/0:0)" | 25203670.25 | 23494771.64 | 24902020.32 | |
| Didodecyl thiobispropanoate | 364837311.49 | 290234529.29 | 271434287.79 | |
| Diethyl fumarate | 8357242.94 | 8392492.31 | 8877357.80 | |
| Diethylhexyl adipate | 2179349.82 | 2042838.40 | 1881388.01 | |
| Diethyl malonate | 458071.09 | 446216.54 | 470630.02 | |
| Diethyltoluamide | 1470037.79 | 1844684.87 | 1592827.53 | |
| Dihydro-5-propyl-2(3H)-furanone | 300617.02 | 301335.03 | 302179.47 | |
| Dihydrouracil | 20127487.05 | 18800711.85 | 21324538.12 | |
| Diisooctyl phthalate | 2948060.89 | 4352658.44 | 4717612.23 | |
| Dimethyl adipate | 2417478.97 | 2589263.14 | 2647188.21 | |
| DNP-DL-Methionine | 65873543.48 | 66992672.41 | 77972419.62 | |
| Docosanamide | 9958482.73 | 9481148.61 | 9585489.07 | |
| Docosanoic acid | 31748444.52 | 33252605.46 | 33493502.96 | |
| Dodecadienoic acid | 3412770.92 | 2625311.70 | 2854312.51 | |
| Dodecanoylcarnitine | 12521881.78 | 10829026.75 | 12548597.97 | |
| Dodecyl gallate | 2896924.84 | 2419767.26 | 2463473.39 | |
| "(E,E)-Piperlonguminine" | 1344187.25 | 1507502.90 | 1337597.42 | |
| Eicosapentaenoic acid | 3254455.03 | 4863079.38 | 3765276.13 | |
| "ent-6,16-Kauradien-19-oic acid" | 1097360.85 | 1115017.21 | 967697.23 | |
| "(ent-7alpha)-7-Hydroxy-8(14),15-pimaradien-19-oic acid" | 2243621.33 | 3567683.83 | 2512132.56 | |
| Epitestosterone sulfate | 237063844.34 | 236245102.79 | 256871157.70 | |
| Epsilon-caprolactam | 220980195.82 | 224356372.32 | 216842070.72 | |
| Ergothioneine | 37666388.75 | 35807125.56 | 35362444.98 | |
| Erucic acid | 3725865.42 | 3550990.42 | 3704398.65 | |
| Erythrose | 88918526.68 | 91590812.16 | 106926208.47 | |
| Esculentic acid (Diplazium) | 9370554.70 | 7179207.61 | 6338736.39 | |
| Estreptoquinasa | 735432.89 | 721296.91 | 730848.84 | |
| Ethylenediaminetetraacetic acid | 32730998951.33 | 34284323538.62 | 33475217340.51 | |
| Ethylmalonic acid | 1440831.48 | 1442764.45 | 1417915.91 | |
| Etidocaine | 1259348.59 | 1419026.88 | 1373650.16 | |
| Fasoracetam | 5644650.31 | 5523847.56 | 5556994.62 | |
| Galactaric acid | 129083528.91 | 146327964.32 | 134448210.35 | |
| Galactosylceramide (d18:1/16:0) | 8789693.74 | 4253293.49 | 3271457.94 | |
| gamma-Aminobutyric acid | 25901317.19 | 25559961.57 | 26847368.86 | |
| gamma-Glutamylleucine | 5694717.85 | 4958600.80 | 7555041.49 | |
| gamma-Linolenic acid | 7564870.69 | 4449551.85 | 4585541.46 | |
| Ganglioside GD3 (d18:1/16:0) | 755074.70 | 561768.85 | 560679.54 | |
| Gluconic acid | 11277369.00 | 13354057.10 | 14629449.99 | |
| Glucose | 30945080.09 | 32057238.91 | 41059867.32 | |
| Glutamic acid | 80145789.43 | 86642681.98 | 98220165.73 | |
| Glutamylglutamine | 44809140.66 | 55220928.91 | 51399615.35 | |
| Glutamylserine | 511952195.96 | 465469329.73 | 496317206.60 | |
| Glutaric acid | 1025745.56 | 1053201.93 | 1027278.40 | |
| Glycerophosphocholine | 56291813.96 | 71218684.38 | 63872034.68 | |
| Glyceryl monolinoleate | 1931721.40 | 1972030.79 | 1866209.70 | |
| Glycocholic acid | 5787467.94 | 16933709.82 | 15969940.62 | |
| Glycodeoxycholic acid | 7549460.46 | 21705482.23 | 19003937.74 | |
| Glycoursodeoxycholic acid | 19949389.39 | 39859034.94 | 34026536.48 | |
| Glycyl-Threonine | 4314124.32 | 3768464.31 | 4536244.14 | |
| Hexadecanedioic acid | 14451469.76 | 14544091.56 | 14446559.97 | |
| Hexaethylene glycol | 3664768.62 | 2991809.80 | 3129865.12 | |
| hexaminolevulinate | 12221344.76 | 11647292.37 | 11641969.21 | |
| Hexanoylcarnitine | 25609291.41 | 9558648.30 | 13237573.17 | |
| Hippuric acid | 19880219.58 | 12486529.83 | 15433655.19 | |
| Homovanillic acid sulfate | 6051.68 | 491671.86 | 741754.29 | |
| Hydroxytyrosol Acetate | 696042.22 | 696267.51 | 709498.88 | |
| Imidazoleacetic acid | 485238.17 | 1372019.11 | 1956767.93 | |
| Indole-3-acetic acid | 947690.63 | 874668.90 | 943872.47 | |
| Indole-4-carboxaldehyde | 1417032.97 | 1434072.59 | 1622768.28 | |
| Indoleacrylic acid | 1560575779.37 | 1425462913.62 | 1566435370.06 | |
| Indolelactic acid | 10328033.71 | 10280851.12 | 10026806.01 | |
| Indoline | 667766319.32 | 684984061.63 | 750092243.20 | |
| Indoxyl sulfate | 54168292.76 | 53639118.55 | 56509226.12 | |
| IS | 270432128.25 | 267387950.66 | 265050019.04 | |
| Isocitric acid | 557152498.90 | 609240177.81 | 605434148.20 | |
| Isohyodeoxycholic acid | 12468112.12 | 8211782.45 | 6762707.19 | |
| Isokobusone | 6048042.10 | 4979261.93 | 5024641.68 | |
| Isopimaric acid | 956814.34 | 1396304.38 | 1077512.71 | |
| Isoquinoline | 10950469.03 | 10325081.05 | 10343886.87 | |
| Isovalerylcarnitine | 15103072.59 | 19721078.15 | 19936517.94 | |
| Ketoleucine | 3460895.94 | 3761356.72 | 3788494.70 | |
| Kynurenine | 16997574.37 | 16948065.03 | 17404270.49 | |
| Lactic acid | 792557949.38 | 889445899.71 | 1064041677.66 | |
| Lauroyl diethanolamide | 2149400.83 | 1963757.23 | 2001044.40 | |
| Lenticin | 70475061.64 | 70323333.43 | 72064209.33 | |
| Leucine | 614960933.98 | 556775306.85 | 721052595.36 | |
| Linoelaidic acid | 85562762.57 | 69239256.97 | 69238209.88 | |
| Linoleyl carnitine | 51756865.42 | 24724748.84 | 28310736.95 | |
| "L,L-Cyclo(leucylprolyl)" | 3447238.22 | 3372422.56 | 3291733.40 | |
| Lubiminol | 21011541.19 | 20554804.19 | 20533117.49 | |
| "LysoPC(0:0/18:2(9Z,12Z))" | 392699503.59 | 506761024.39 | 495215272.28 | |
| LysoPC(14:0/0:0) | 98707051.72 | 82962238.34 | 76091467.92 | |
| LysoPC(15:0/0:0) | 28505860.40 | 18479303.55 | 18424409.15 | |
| LysoPC(16:0/0:0) | 89421138.02 | 77119822.04 | 83641195.32 | |
| LysoPC(17:0/0:0) | 59837298.26 | 48853811.81 | 48884347.93 | |
| LysoPC(18:0) | 3169209095.64 | 2170304242.67 | 2414380200.86 | |
| LysoPC(18:1(9Z)) | 1985451141.93 | 1534045856.56 | 1540957727.20 | |
| "LysoPC(18:2(9Z,12Z)/0:0)" | 3003554858.05 | 2507953855.51 | 2482529527.69 | |
| LysoPC(20:0/0:0) | 3609064.18 | 3062935.35 | 2996861.29 | |
| LysoPC(22:0/0:0) | 3783414.34 | 3068228.48 | 3008967.11 | |
| LysoPC(24:0/0:0) | 6858957.10 | 5659597.97 | 5571148.22 | |
| LysoPC(O-18:0/0:0) | 30981289.26 | 25042180.19 | 24962321.74 | |
| LysoPC(P-16:0/0:0) | 43393842.29 | 35181436.14 | 36955735.81 | |
| LysoPC(P-18:0/0:0) | 92767819.76 | 78212740.28 | 77852010.24 | |
| LysoPE(16:0/0:0) | 16509177.71 | 16404300.57 | 15342830.54 | |
| LysoPE(18:0/0:0) | 36167833.62 | 33972705.79 | 32908491.56 | |
| LysoPE(18:1(9Z)/0:0) | 27793169.09 | 29654187.73 | 29093638.20 | |
| Mandelic acid | 2611754.95 | 2322930.27 | 2642777.79 | |
| Mesaconic acid | 27672997.71 | 34888304.85 | 36767484.62 | |
| Mesterolone | 2587940.08 | 2450696.77 | 2360103.15 | |
| Methionine sulfoxide | 27755292.93 | 28294872.01 | 28052943.67 | |
| Methoxypyrazine | 11688958.59 | 11453301.06 | 11833897.07 | |
| "Methyl 4,8-decadienoate" | 2403065.35 | 2532566.65 | 2537536.59 | |
| Methyl gallate | 639386.88 | 682863.46 | 655960.76 | |
| Methyl jasmonate | 2092109.43 | 1876813.08 | 2002498.70 | |
| Methyl linoleate | 1189813.89 | 895870.65 | 943429.10 | |
| Methylmalonic acid | 4074409.59 | 4711387.79 | 4897677.82 | |
| Metyrosine | 163879764.65 | 184885641.61 | 205579624.74 | |
| MG(0:0/16:0/0:0) | 157424370.58 | 129633797.96 | 137729959.90 | |
| MG(22:1(13Z)/0:0/0:0) | 1535513842.94 | 1481870655.56 | 1516294182.78 | |
| Monobutylphthalate | 3347993.28 | 3749014.08 | 3410741.25 | |
| Monoethylhexyl phthalic acid | 13575658.21 | 13561338.72 | 13817646.86 | |
| Monoethyl phthalate | 785412.09 | 844364.49 | 866130.15 | |
| Monoisobutyl phthalic acid | 1638400.51 | 1653232.01 | 1677676.71 | |
| Monomethyl phthalate | 4223928.51 | 4034932.15 | 4460471.69 | |
| Monooctyl phthalate | 10219250.96 | 10295283.19 | 10522858.24 | |
| Monoolein | 13094360.78 | 12068409.60 | 11980704.63 | |
| N-[(3s)-2-Oxotetrahydrofuran-3-Yl]butanamide | 2720160.37 | 2543875.37 | 2513388.91 | |
| N6-Carboxymethyllysine | 51194886.78 | 55363216.68 | 53935775.42 | |
| "N6,N6,N6-Trimethyl-L-lysine" | 8540413.51 | 6695905.38 | 7541276.70 | |
| N-ACE | 5769662.02 | 5408004.50 | 6316426.55 | |
| N-Acetylaminooctanoic acid | 849720.69 | 892757.24 | 1025531.67 | |
| N-Acetylaspartic acid | 4872622.13 | 5166827.96 | 5025155.02 | |
| N-Acetylglutamine | 106798099.16 | 84231985.73 | 106119308.16 | |
| N-Acetyl-L-alanine | 282668586.57 | 301441783.95 | 287945338.19 | |
| N-Acetylleucine | 101585.02 | 137465.76 | 147813.39 | |
| N-Acetyltryptophan | 264171.57 | 274967.21 | 290263.78 | |
| N-Acetylvanilalanine | 533856.46 | 542645.66 | 544551.05 | |
| Nicotinamide N-oxide | 8450489.20 | 16418168.38 | 7879316.08 | |
| N-Isobutyloctadeca-trans-2-trans-4-dienamide | 5178027.72 | 4875167.24 | 4970265.56 | |
| N-methyl-L-glutamic Acid | 4595882.44 | 5269822.89 | 5443914.48 | |
| Norvaline | 3955704.47 | 4375267.16 | 5039802.23 | |
| N-Phenylacetylglutamine | 47697471.38 | 40099093.86 | 42555269.89 | |
| Nutriacholic acid | 34611401.59 | 33627349.74 | 42080568.21 | |
| Octadecenoylcarnitine | 54807401.82 | 27540355.60 | 32600765.25 | |
| Octanoylcarnitine | 114228658.69 | 53151240.17 | 57580227.08 | |
| Oleamide | 80470299.31 | 79471814.96 | 74733954.76 | |
| Oligomycin | 4184859.59 | 3943263.26 | 3735122.13 | |
| o-Phenetidine | 5082105.76 | 5592004.00 | 6140338.58 | |
| Ornithine | 9068689.57 | 8109915.14 | 7791904.51 | |
| Orotidine | 53016718.12 | 52818118.60 | 52828427.13 | |
| o-Tyrosine | 63430032.29 | 80811828.55 | 93484483.56 | |
| Oxandrolone | 477915.97 | 651307.35 | 526197.96 | |
| Oxibendazole | 1099502.16 | 1217730.93 | 1258021.24 | |
| Palmitelaidic acid | 289558.55 | 292269.44 | 264984.04 | |
| Palmitoleic acid | 2309791.95 | 1734046.14 | 1903490.43 | |
| Paracetamol sulfate | 6996986.82 | 59486184.92 | 70898790.09 | |
| PC(14:0/14:0) | 7143988.89 | 5709851.71 | 5703265.11 | |
| PC(14:0/16:0) | 161809025.59 | 136029101.84 | 138155507.71 | |
| PC(16:0/14:0) | 2969322.61 | 2630059.93 | 2785114.45 | |
| PC(16:0/16:0) | 1006245157.26 | 810521753.77 | 796796177.87 | |
| PC(16:0/18:0) | 3652170819.03 | 2568613829.57 | 2869954318.30 | |
| PC(16:0/18:1(9Z)) | 5734464.02 | 4930820.95 | 5032674.31 | |
| "PC(16:0/20:4(5Z,8Z,11Z,14Z))" | 642373208.00 | 619445477.37 | 645758006.98 | |
| "PC(16:0/20:5(5Z,8Z,11Z,14Z,17Z))" | 1301202968.43 | 1061262886.44 | 1079162934.27 | |
| "PC(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" | 930253065.38 | 800995620.75 | 837106600.88 | |
| PC(16:1(9Z)/16:1(9Z)) | 301045204.40 | 234065415.20 | 239871388.75 | |
| "PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" | 7505672314.76 | 6296594135.05 | 6335121651.44 | |
| PC(18:0/16:0) | 12176084.64 | 9097756.34 | 9352975.68 | |
| PC(18:0/18:0) | 12547352872.20 | 10238162275.29 | 10082012589.02 | |
| PC(18:0/18:1(9Z)) | 600420654.93 | 485622215.12 | 493987633.97 | |
| "PC(18:0/18:2(9Z,12Z))" | 14619911419.22 | 12390762209.69 | 12923350646.66 | |
| "PC(18:0/20:4(5Z,8Z,11Z,14Z))" | 1381741722.80 | 1119217260.64 | 1117294244.61 | |
| "PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" | 1919014241.12 | 1486462192.91 | 1534954737.28 | |
| PC(18:1(9Z)/14:0) | 921335429.26 | 845214050.86 | 855237933.25 | |
| PC(18:1(9Z)/16:0) | 4256770709.06 | 3331439414.82 | 3435115119.82 | |
| PC(18:1(9Z)/18:1(9Z)) | 4651438557.45 | 3998600749.51 | 4027005416.84 | |
| "PC(18:2(9Z,12Z)/18:2(9Z,12Z))" | 14159762639.74 | 11916681018.74 | 12055186078.81 | |
| "PC(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))" | 18895006.26 | 14912613.62 | 15322386.50 | |
| "PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))" | 103391921.64 | 79966557.54 | 83252060.95 | |
| "PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)" | 11379737.78 | 8520745.46 | 8855122.48 | |
| "PC(O-16:0/20:3(8Z,11Z,14Z))" | 221668954.63 | 178656142.43 | 178123074.06 | |
| "PC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))" | 262231259.51 | 202871217.53 | 204143125.87 | |
| "PC(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" | 339657258.28 | 290539207.04 | 280433470.97 | |
| PC(O-18:1(9Z)/16:0) | 44372209.79 | 34189776.06 | 34184952.40 | |
| PC(P-18:0/18:1(9Z)) | 43391941.78 | 33084792.67 | 33800275.60 | |
| "PC(P-18:0/20:4(5Z,8Z,11Z,14Z))" | 1631241407.01 | 1274450295.03 | 1276546456.19 | |
| "PC(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" | 379738089.30 | 305862796.24 | 306643310.90 | |
| p-Cresol | 8024308.70 | 7592163.10 | 7957918.39 | |
| p-Cresol sulfate | 196058084.16 | 200898228.58 | 214861232.54 | |
| p-Cymene | 260362.84 | 314741.79 | 287222.04 | |
| PE(16:0/18:1(11Z)) | 4740798.80 | 4463484.23 | 4552549.44 | |
| "PE(16:0/18:2(9Z,12Z))" | 20961194.63 | 22028060.00 | 23594296.44 | |
| "PE(16:0/20:4(5Z,8Z,11Z,14Z))" | 39764755.50 | 44815486.25 | 47324488.19 | |
| "PE(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" | 41241426.71 | 37136854.46 | 38568250.52 | |
| PE(18:0/18:1(9Z)) | 68475509.39 | 60733588.76 | 61630974.26 | |
| "PE(18:0/20:4(5Z,8Z,11Z,14Z))" | 613941307.74 | 638111076.14 | 666008775.16 | |
| "PE(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" | 327292808.69 | 291938491.17 | 301661488.10 | |
| PE(18:1(9Z)/18:1(9Z)) | 9939210.10 | 10420944.37 | 11750519.49 | |
| "PE(18:2(9Z,12Z)/18:2(9Z,12Z))" | 6412862.55 | 8057595.13 | 7346614.45 | |
| PE-NMe2(16:0/16:0) | 44516616.00 | 34771598.09 | 35629624.87 | |
| Pentaethylene glycol | 7541313.12 | 5795862.49 | 6799266.69 | |
| "PE(P-18:0/20:4(5Z,8Z,11Z,14Z))" | 79994401.94 | 60952346.39 | 60892221.01 | |
| "PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" | 79422067.71 | 63442449.31 | 65161784.61 | |
| Phenacemide | 766127.31 | 764586.14 | 791376.17 | |
| Phenylalanine | 230693740.45 | 251449605.39 | 278972062.73 | |
| Phenylalanylproline | 7611326.78 | 8143333.92 | 8468400.13 | |
| Phthalic acid | 1091437.83 | 1203318.14 | 1057489.93 | |
| PI(16:0/18:1(9Z)) | 6200255.31 | 5302758.25 | 5579197.35 | |
| "PI(18:0/20:4(5Z,8Z,11Z,14Z))" | 74337238.50 | 74812872.42 | 79160395.13 | |
| Pi-Methylimidazoleacetic acid | 6946126.49 | 6722198.16 | 6897452.95 | |
| Pipecolic acid | 78074391.86 | 78119779.98 | 85834321.86 | |
| piperidine-1-carboxamide | 5875587.47 | 5778031.17 | 5947882.36 | |
| Piperine | 54289736.61 | 60473186.36 | 52930454.83 | |
| Polygodial | 805371.90 | 695847.75 | 716060.43 | |
| Pregnenolone sulfate | 4092660.08 | 3888359.25 | 4193212.01 | |
| Proline | 782346526.84 | 962675949.56 | 1016732085.33 | |
| Propionylcarnitine | 97808209.60 | 100484815.52 | 96954073.30 | |
| Propylenediamine tetra-acetic acid | 44317959.05 | 59159147.75 | 52039119.22 | |
| Prostaglandin E1 | 2473766.71 | 2532116.45 | 2267195.91 | |
| Prostaglandin F1a | 2586417.33 | 1854575.78 | 2156716.32 | |
| Prostaglandin H1 | 629613.50 | 431928.41 | 462743.61 | |
| Prostaglandin lactone-diol | 198893.20 | 194583.91 | 199500.46 | |
| PS(18:0/18:1(9Z)) | 1583551.81 | 1456966.10 | 1443241.47 | |
| Psilostachyin | 899136.76 | 880999.03 | 908835.58 | |
| Pyroglutamic acid | 2969359.71 | 2946057.88 | 31913966.79 | |
| Quinic acid | 21587931.19 | 21335771.81 | 22055614.10 | |
| (R)-2-Hydroxyhexadecanoic acid | 3895249.66 | 2800209.74 | 3201795.13 | |
| (R)-3-Hydroxy-Octadecanoic acid | 904529.97 | 660219.13 | 627077.47 | |
| (R)C(S)S-Alliin | 8266843.83 | 8689198.18 | 8633950.81 | |
| (S)-3-Hydroxybutyric acid | 84792610.21 | 101475414.35 | 121029433.17 | |
| (+)-Sabinene | 882211.49 | 569322.49 | 652013.66 | |
| Sedoheptulose | 10081015.74 | 11079287.51 | 11461613.82 | |
| SM(d18:1/12:0) | 8768173.08 | 6728350.93 | 6731679.24 | |
| SM(d18:1/16:0) | 32175580.98 | 26816626.48 | 26692568.06 | |
| SM(d18:1/18:0) | 85497848.69 | 59877610.26 | 64281986.98 | |
| SM(d18:1/18:1(9Z)) | 664393412.64 | 481950415.43 | 510486121.46 | |
| SM(d18:1/22:0) | 103917405.98 | 70671522.05 | 71344295.89 | |
| SM(d18:1/24:0) | 1656886.19 | 2140785.47 | 3395845.92 | |
| SM(d18:1/24:1) | 4585790.27 | 3165917.63 | 3440396.98 | |
| Spermine | 371555.88 | 418208.85 | 561602.07 | |
| Sphinganine 1-phosphate | 1808190.95 | 1522815.76 | 1768689.89 | |
| Sphingosine | 1361486.66 | 1471948.71 | 1543608.87 | |
| Sphingosine 1-phosphate | 12440185.57 | 10238622.75 | 10812282.48 | |
| Stearamide | 14308371.38 | 11360390.72 | 12407561.29 | |
| Stearic acid | 9970468.76 | 12097717.60 | 11926260.06 | |
| Stearidonic acid | 1696581.09 | 1422425.49 | 1555659.03 | |
| Stearolic acid | 28123255.10 | 24725872.71 | 24191828.72 | |
| Succinamide | 308144.83 | 387013.68 | 344325.14 | |
| Succinic acid | 8056616.63 | 8162550.41 | 8385439.77 | |
| Succinic acid-d4 | 64779847.04 | 76672960.89 | 80530679.70 | |
| Succinic acid semialdehyde | 37624425.21 | 37262471.68 | 46171772.11 | |
| Taurochenodesoxycholic acid | 1079369.54 | 2605102.31 | 2576052.72 | |
| Taurocholic acid | 937667.42 | 2096272.85 | 2141511.77 | |
| Taurodeoxycholic Acid | 498412.08 | 1326883.66 | 1381237.42 | |
| Tauroursodeoxycholic acid | 464167.84 | 1440008.74 | 1451120.11 | |
| Testosterone | 2760934.12 | 2396251.95 | 2324137.61 | |
| Tetradecanedioic acid | 1387523.60 | 1329064.24 | 1358439.98 | |
| Tetradecenoylcarnitine | 18242026.12 | 6511445.38 | 8650324.89 | |
| Tetraethylene glycol | 14140312.80 | 11949543.50 | 13704629.25 | |
| Tetranor 12-HETE | 1748389.19 | 1348297.56 | 1529673.54 | |
| Theobromine | 64313022.00 | 57655133.98 | 61270518.00 | |
| Threonic acid | 74820214.23 | 82762406.00 | 74455246.52 | |
| Threonine | 59589394.84 | 56612227.76 | 69258813.86 | |
| tributyl phosphate | 282020.39 | 298099.06 | 288917.21 | |
| Tricosanoic acid | 4730693.10 | 4546690.64 | 4706719.33 | |
| Triethylene glycol dimethacrylate | 4790514.27 | 3974130.81 | 4530171.77 | |
| Trigonelline | 12101160.78 | 8845057.18 | 9650226.55 | |
| Triphenyl phosphate | 3194328.67 | 7213521.23 | 4516116.71 | |
| TRIS(3-CHLOROPROPYL)PHOSPHATE | 8778112.23 | 8678562.89 | 8871285.47 | |
| Tyrosine | 405286996.92 | 450625727.92 | 489132456.60 | |
| Ureidoisobutyric acid | 46705360.14 | 46327773.30 | 46296836.60 | |
| Uric acid | 1182344.67 | 1439474.26 | 1547624.09 | |
| Uridine | 48284190.53 | 25931791.38 | 38033737.24 | |
| Urobilin | 688016.60 | 751200.75 | 863078.80 | |
| Urocanic acid | 6300394.91 | 8512110.71 | 8507074.71 | |
| Ursodeoxycholic acid | 6248367.46 | 5971905.42 | 6232756.42 | |
| Valeric acid | 1420973.66 | 1239815.49 | 1319176.18 | |
| Valylserine | 63600018.90 | 116113104.37 | 82960952.03 | |
| Vanillic acid | 2624663.82 | 2721145.64 | 2685520.55 | |
| Vitamin A | 1573259.88 | 1500080.07 | 1445811.90 | |
| Xestoaminol C | 33569569.77 | 37371966.43 | 38712094.10 | |
| xi-5-Dodecanolide | 9541957.43 | 8890892.23 | 9194859.13 |
Factors:
| F1 | Time:0 |
| F2 | Time:120 |
| F3 | Time:60 |