Data for (Study ST003896)
(Analysis AN006399)Values for each metabolite have been scaled by dividing by the mean across all factors Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study| Metabolite | F1 | F2 | F3 |
|---|---|---|---|
| 10-Hydroxy-2-decenoic acid | 0.9505 | 0.9178 | 1.1317 |
| 10-Hydroxydecanoic acid | 0.8861 | 0.9343 | 1.1795 |
| "1,11-Undecanedicarboxylic acid" | 1.0010 | 0.9727 | 1.0263 |
| 12(13)Ep-9-KODE | 1.0964 | 0.9245 | 0.9791 |
| "12alpha-12-Hydroxy-7,13-abietadien-18-oic acid" | 0.7858 | 1.3367 | 0.8775 |
| "1,2-Cyclohexanedicarboxylic acid" | 0.9046 | 1.0291 | 1.0663 |
| "1,2-Dilauroyl-sn-glycero-3-phosphocholine" | 1.1123 | 0.9378 | 0.9499 |
| "1-(3,4-dihydroxyphenyl)-2-methyl-1-Propanone" | 0.9571 | 1.0455 | 0.9974 |
| "1,3,5-Trihydroxybenzene" | 0.9414 | 0.9252 | 1.1334 |
| "1,3-Dicyclohexylurea" | 0.9348 | 0.7777 | 1.2875 |
| 13-Docosenamide | 1.0454 | 0.9563 | 0.9983 |
| "(13E)-11a-Hydroxy-9,15-dioxoprost-13-enoic acid" | 0.8982 | 1.0671 | 1.0347 |
| 13-HOTE | 1.4208 | 0.7930 | 0.7862 |
| ( )13-HpODE | 1.2794 | 0.8458 | 0.8747 |
| "15,16-DiHODE" | 1.0727 | 0.8819 | 1.0454 |
| 15-Hexadecynoic acid | 1.0353 | 0.9998 | 0.9649 |
| "(15Z)-9,12,13-Trihydroxy-15-octadecenoic acid" | 1.1285 | 0.9493 | 0.9222 |
| 19-Hydroxyprostaglandin E1 | 0.7993 | 1.1628 | 1.0379 |
| 1-Cyclohexene-1-carboxylic acid | 0.9877 | 0.9924 | 1.0199 |
| 1-Hexadecanoyl-2-octadecadienoyl-sn-glycero-3-phosphocholine | 1.0781 | 0.9566 | 0.9654 |
| 1-Hydroxy-2-naphthoic acid | 0.8445 | 1.0176 | 1.1379 |
| 1-O-Hexadecyl-2-arachidonoyl-sn-glycero-3-phosphocholine | 1.1626 | 0.8998 | 0.9376 |
| (20R)-17-Hydroxypregnenolone sulfate | 0.9927 | 0.9602 | 1.0471 |
| 2-((2R)-2-Hydroxycyclohexyl)acetic acid | 1.7252 | 0.6985 | 0.5763 |
| 2-(4-Methylphenyl)-1-propanol | 1.0308 | 0.9687 | 1.0004 |
| "2,6-Di-tert-butylbenzoquinone" | 1.0657 | 1.0109 | 0.9234 |
| (2-Acetyloxy-3-octadecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate | 1.1016 | 0.9398 | 0.9586 |
| 2-Amino-3-(1-pyrazolyl)propanoic acid | 1.0133 | 0.9949 | 0.9918 |
| 2-Aminoisobutyric acid | 1.0125 | 0.9998 | 0.9878 |
| 2-Butyloctyl sulfate | 1.0214 | 1.0111 | 0.9675 |
| "(2E,4Z)-9-Oxo-2,4-octadecadienoic acid" | 1.2198 | 0.8458 | 0.9344 |
| 2-Hydroxy-3-methylbutyric acid | 1.0755 | 0.9896 | 0.9349 |
| 2-Hydroxyglutaric acid | 0.9940 | 0.9944 | 1.0116 |
| "2-Methoxy-3,4-dimethylphenyl acetate" | 1.0905 | 0.9030 | 1.0065 |
| 2-Methylglutaric acid | 1.0174 | 0.9896 | 0.9930 |
| 2-Octenoylcarnitine | 1.1124 | 0.9346 | 0.9531 |
| 2^-O-Methyluridine | 0.8350 | 1.2725 | 0.8924 |
| 2-Piperidinone | 1.1128 | 0.8752 | 1.0120 |
| 2-Propenoic acid | 1.0612 | 0.9502 | 0.9886 |
| 2-Propylglutaric acid | 0.9570 | 1.0121 | 1.0309 |
| "(2R)-2-Hydroxy-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyl (9Z,12Z)-octadeca-9,12-dienoate" | 0.9418 | 1.0200 | 1.0382 |
| 2-Tridecenal | 0.9352 | 1.0882 | 0.9767 |
| 3-(2-Ethylhexyl)phthalic acid | 1.0760 | 0.9385 | 0.9856 |
| "3,4-Dihydroxymandelic acid" | 0.9135 | 1.0298 | 1.0568 |
| "3,4-Dimethylbenzaldehyde" | 0.9639 | 1.0186 | 1.0175 |
| "3alpha,7alpha,12beta-Trihydroxy-5beta-cholanoic acid" | 1.0966 | 0.9481 | 0.9553 |
| 3alpha-Hydroxy-5alpha-pregnan-20-one sulfate | 0.9796 | 0.9730 | 1.0474 |
| "3a-Methyl-2,3,4,5,5a,10,10a,10b-octahydro-1H-cyclopenta[a]fluorene-2,3,7-triol" | 0.8005 | 1.2869 | 0.9126 |
| 3-Amino-4-methylpentanoic acid | 1.0052 | 1.0113 | 0.9835 |
| "3-Aminopiperidine-2,6-dione" | 1.0385 | 0.9570 | 1.0045 |
| 3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid | 0.9538 | 1.0020 | 1.0442 |
| 3-Hydroxybenzoic acid | 0.9880 | 0.9760 | 1.0359 |
| 3-Hydroxycholest-5-en-7-one | 1.1203 | 0.9523 | 0.9275 |
| 3-Hydroxyisovalerylcarnitine | 1.0557 | 0.9965 | 0.9478 |
| 3-Hydroxymethylglutaric acid | 0.9555 | 0.9567 | 1.0878 |
| 3-Isopropylmalic acid | 0.9583 | 1.0334 | 1.0082 |
| 3-Methylindole | 1.0074 | 0.9586 | 1.0340 |
| 3-oxocholest-4-en-26-oate | 1.2913 | 0.8639 | 0.8449 |
| 3-Oxoglutaric acid | 1.0160 | 1.0142 | 0.9698 |
| 3-Phenoxypropylene di(acetate) | 0.9501 | 1.0599 | 0.9900 |
| 3-Phenyllactic acid | 0.9921 | 0.9928 | 1.0151 |
| "(3x,5a,9x,10b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone" | 0.9856 | 1.0151 | 0.9993 |
| "4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde" | 0.9571 | 1.0671 | 0.9759 |
| "4,6-Dinitro-O-cresol" | 0.9617 | 1.0185 | 1.0198 |
| 4-Acetamidobutanoic acid | 0.9947 | 0.9806 | 1.0247 |
| 4-Chlorophenoxyacetic acid | 0.9619 | 1.0845 | 0.9536 |
| 4-Hydroxydodecanoic acid | 0.9536 | 0.9391 | 1.1072 |
| 4-Nitrophenol | 0.9566 | 1.0067 | 1.0367 |
| 4-Pyridoxic acid | 0.8705 | 1.1888 | 0.9408 |
| 4-tert-Butylphenol | 1.0947 | 0.9730 | 0.9323 |
| 5a-Androstan-3b-ol | 0.9954 | 0.9926 | 1.0121 |
| 5-Bromotryptophan | 0.9873 | 1.0197 | 0.9930 |
| 5-Hydroxyindole | 1.0427 | 0.9768 | 0.9805 |
| 5-Hydroxyindoleacetic acid | 0.9072 | 1.0002 | 1.0926 |
| 5-KETE | 1.1257 | 0.9737 | 0.9007 |
| "5-Methyl-4-((1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-1,3-benzenediol" | 0.9892 | 1.0047 | 1.0061 |
| "(5Z)-11-Oxoprosta-5,9,12,14-tetraene-1-oic acid" | 0.9315 | 1.1542 | 0.9143 |
| "(5Z,8Z)-Tetradecadienoylcarnitine" | 1.6643 | 0.6469 | 0.6888 |
| 5Z-Dodecenoic acid | 0.9921 | 1.0050 | 1.0028 |
| 7a-Hydroxy-cholestene-3-one | 1.3003 | 0.7679 | 0.9318 |
| 7alpha-Hydroxy-3-oxo-4-cholestenoate | 1.3151 | 0.8586 | 0.8263 |
| 7-Epi-12-hydroxyjasmonic acid | 1.0288 | 0.9189 | 1.0523 |
| "8,13-Abietadien-18-oic acid" | 1.0541 | 0.9549 | 0.9911 |
| 8-oxononanoic acid | 1.1353 | 0.9470 | 0.9177 |
| "9,10-DHOME" | 1.2232 | 0.8616 | 0.9152 |
| "9,10-Epoxy-18-hydroxy-octadecanoic acid" | 1.2599 | 0.8706 | 0.8696 |
| "9,10-Epoxyoctadecenoic acid" | 1.2637 | 0.8498 | 0.8865 |
| "9,10-Epoxystearic acid" | 1.1264 | 0.9248 | 0.9488 |
| 9-cis-Retinal | 0.9239 | 1.1137 | 0.9624 |
| 9(S)-HOTrE | 1.4024 | 0.8105 | 0.7871 |
| 9(S)-HpODE | 0.9661 | 0.9603 | 1.0736 |
| "(9Z,12Z)-6-hydroxyoctadeca-9,12-dienoic acid" | 1.2247 | 0.8857 | 0.8896 |
| Acetaminophen glucuronide | 0.0626 | 1.6941 | 1.2433 |
| Acoric acid | 0.9790 | 1.0088 | 1.0122 |
| Alanine | 0.9878 | 0.9710 | 1.0412 |
| Alanylglycine | 0.9904 | 1.0045 | 1.0051 |
| Alloxanthin | 1.4087 | 0.7620 | 0.8293 |
| Allysine | 0.9387 | 0.9700 | 1.0914 |
| alpha-Hydroxyisobutyric acid | 1.1939 | 0.7975 | 1.0086 |
| alpha-Ionone | 1.0535 | 1.0012 | 0.9453 |
| alpha-Ketoisovaleric acid | 1.0522 | 0.9295 | 1.0183 |
| alpha-Linolenic acid | 1.1369 | 0.9239 | 0.9392 |
| Androstenediol 3-sulfate | 0.9252 | 1.0520 | 1.0228 |
| Arabinonic acid | 0.9206 | 0.9784 | 1.1010 |
| Arabinopyranose | 1.0014 | 0.9110 | 1.0876 |
| Arachidic acid | 1.0131 | 0.9941 | 0.9928 |
| Arachidonic acid | 1.0569 | 1.0782 | 0.8648 |
| Arginine | 2.0859 | 0.4297 | 0.4844 |
| Auberganol | 1.0297 | 0.9813 | 0.9890 |
| Avocadene 1-acetate | 0.9878 | 1.0329 | 0.9793 |
| Azelaic acid | 0.8221 | 1.0531 | 1.1248 |
| Benzaldehyde | 1.0119 | 0.9420 | 1.0462 |
| Benzoic acid | 0.8891 | 1.0038 | 1.1071 |
| beta-Muricholic Acid | 1.2224 | 0.8973 | 0.8802 |
| Bilirubin | 1.3451 | 0.6825 | 0.9724 |
| Biliverdin | 1.0287 | 0.9564 | 1.0149 |
| Blumenol C glucoside | 1.0581 | 0.9289 | 1.0130 |
| But-2-enoic acid | 0.9968 | 1.0010 | 1.0022 |
| C75 trans | 1.0078 | 1.0141 | 0.9781 |
| Caffeine | 1.1327 | 0.9054 | 0.9619 |
| Chenodeoxycholic acid | 1.1419 | 0.9651 | 0.8930 |
| Chenodeoxycholic acid 24-acyl-D-glucuronide | 1.0236 | 0.9615 | 1.0149 |
| Cholesterol sulfate | 1.0767 | 0.9217 | 1.0015 |
| Cholic acid | 1.3343 | 0.8389 | 0.8268 |
| Cinnamaldehyde | 0.9494 | 1.0324 | 1.0182 |
| cis-12-Oxophytodienoic acid | 1.1773 | 0.7702 | 1.0525 |
| cis-4-Hydroxyproline | 0.9771 | 1.0233 | 0.9996 |
| cis-Aconitic acid | 0.9435 | 1.0379 | 1.0186 |
| cis-Vaccenic acid | 1.0644 | 0.9513 | 0.9843 |
| Citramalic acid | 0.8946 | 1.0574 | 1.0480 |
| Citrulline | 1.1435 | 0.9372 | 0.9193 |
| Copalic acid | 0.9598 | 1.1353 | 0.9049 |
| Corticosterone | 0.9254 | 1.0335 | 1.0411 |
| Cortisol | 1.2234 | 0.7434 | 1.0331 |
| Creatinine | 0.9377 | 1.0116 | 1.0507 |
| Curcumol | 0.9941 | 1.0214 | 0.9844 |
| Decanoylcarnitine | 1.6567 | 0.6330 | 0.7103 |
| Decenoylcarnitine | 1.5453 | 0.6706 | 0.7841 |
| Dehydroepiandrosterone | 1.0088 | 1.0021 | 0.9891 |
| Dehydroepiandrosterone sulfate | 0.9386 | 1.0108 | 1.0506 |
| Deoxycholic acid | 1.1398 | 0.9457 | 0.9145 |
| Deoxycholylglycine | 0.5785 | 1.2453 | 1.1762 |
| Deoxycorticosterone acetate | 1.0323 | 1.0045 | 0.9632 |
| Dephostatin | 1.0093 | 0.9531 | 1.0376 |
| DG(16:0/18:1(9Z)/0:0) | 1.1394 | 0.9209 | 0.9397 |
| "DG(16:0/18:2(9Z,12Z)/0:0)" | 1.0553 | 0.9798 | 0.9649 |
| "DG(18:0/18:2(9Z,12Z)/0:0)" | 1.2028 | 0.8983 | 0.8989 |
| "DG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)" | 1.1196 | 0.9240 | 0.9563 |
| DG(18:1(9Z)/16:0/0:0) | 1.0944 | 0.9948 | 0.9109 |
| "DG(18:2(9Z,12Z)/18:1(9Z)/0:0)" | 1.0341 | 0.9792 | 0.9866 |
| "DG(18:2(9Z,12Z)/18:2(9Z,12Z)/0:0)" | 1.0273 | 0.9577 | 1.0150 |
| Didodecyl thiobispropanoate | 1.1813 | 0.9398 | 0.8789 |
| Diethyl fumarate | 0.9783 | 0.9825 | 1.0392 |
| Diethylhexyl adipate | 1.0712 | 1.0041 | 0.9247 |
| Diethyl malonate | 0.9995 | 0.9736 | 1.0269 |
| Diethyltoluamide | 0.8986 | 1.1277 | 0.9737 |
| Dihydro-5-propyl-2(3H)-furanone | 0.9975 | 0.9999 | 1.0027 |
| Dihydrouracil | 1.0022 | 0.9361 | 1.0618 |
| Diisooctyl phthalate | 0.7359 | 1.0865 | 1.1776 |
| Dimethyl adipate | 0.9475 | 1.0149 | 1.0376 |
| DNP-DL-Methionine | 0.9373 | 0.9532 | 1.1095 |
| Docosanamide | 1.0293 | 0.9800 | 0.9907 |
| Docosanoic acid | 0.9670 | 1.0128 | 1.0202 |
| Dodecadienoic acid | 1.1514 | 0.8857 | 0.9630 |
| Dodecanoylcarnitine | 1.0464 | 0.9049 | 1.0486 |
| Dodecyl gallate | 1.1170 | 0.9331 | 0.9499 |
| "(E,E)-Piperlonguminine" | 0.9626 | 1.0795 | 0.9579 |
| Eicosapentaenoic acid | 0.8216 | 1.2278 | 0.9506 |
| "ent-6,16-Kauradien-19-oic acid" | 1.0352 | 1.0519 | 0.9129 |
| "(ent-7alpha)-7-Hydroxy-8(14),15-pimaradien-19-oic acid" | 0.8087 | 1.2859 | 0.9054 |
| Epitestosterone sulfate | 0.9740 | 0.9706 | 1.0554 |
| Epsilon-caprolactam | 1.0012 | 1.0164 | 0.9824 |
| Ergothioneine | 1.0383 | 0.9870 | 0.9747 |
| Erucic acid | 1.0179 | 0.9701 | 1.0120 |
| Erythrose | 0.9281 | 0.9559 | 1.1160 |
| Esculentic acid (Diplazium) | 1.2282 | 0.9410 | 0.8308 |
| Estreptoquinasa | 1.0086 | 0.9892 | 1.0023 |
| Ethylenediaminetetraacetic acid | 0.9771 | 1.0235 | 0.9994 |
| Ethylmalonic acid | 1.0049 | 1.0062 | 0.9889 |
| Etidocaine | 0.9324 | 1.0506 | 1.0170 |
| Fasoracetam | 1.0125 | 0.9908 | 0.9967 |
| Galactaric acid | 0.9448 | 1.0711 | 0.9841 |
| Galactosylceramide (d18:1/16:0) | 1.6163 | 0.7821 | 0.6016 |
| gamma-Aminobutyric acid | 0.9923 | 0.9792 | 1.0285 |
| gamma-Glutamylleucine | 0.9383 | 0.8170 | 1.2448 |
| gamma-Linolenic acid | 1.3671 | 0.8041 | 0.8287 |
| Ganglioside GD3 (d18:1/16:0) | 1.2065 | 0.8976 | 0.8959 |
| Gluconic acid | 0.8617 | 1.0204 | 1.1179 |
| Glucose | 0.8921 | 0.9242 | 1.1837 |
| Glutamic acid | 0.9073 | 0.9808 | 1.1119 |
| Glutamylglutamine | 0.8877 | 1.0940 | 1.0183 |
| Glutamylserine | 1.0421 | 0.9475 | 1.0103 |
| Glutaric acid | 0.9907 | 1.0172 | 0.9921 |
| Glycerophosphocholine | 0.8824 | 1.1164 | 1.0012 |
| Glyceryl monolinoleate | 1.0044 | 1.0253 | 0.9703 |
| Glycocholic acid | 0.4487 | 1.3130 | 1.2383 |
| Glycodeoxycholic acid | 0.4693 | 1.3493 | 1.1814 |
| Glycoursodeoxycholic acid | 0.6378 | 1.2743 | 1.0879 |
| Glycyl-Threonine | 1.0256 | 0.8959 | 1.0784 |
| Hexadecanedioic acid | 0.9980 | 1.0044 | 0.9976 |
| Hexaethylene glycol | 1.1234 | 0.9171 | 0.9594 |
| hexaminolevulinate | 1.0325 | 0.9840 | 0.9835 |
| Hexanoylcarnitine | 1.5872 | 0.5924 | 0.8204 |
| Hippuric acid | 1.2477 | 0.7837 | 0.9686 |
| Homovanillic acid sulfate | 0.0146 | 1.1900 | 1.7953 |
| Hydroxytyrosol Acetate | 0.9935 | 0.9938 | 1.0127 |
| Imidazoleacetic acid | 0.3817 | 1.0792 | 1.5391 |
| Indole-3-acetic acid | 1.0278 | 0.9486 | 1.0236 |
| Indole-4-carboxaldehyde | 0.9502 | 0.9616 | 1.0882 |
| Indoleacrylic acid | 1.0284 | 0.9394 | 1.0323 |
| Indolelactic acid | 1.0114 | 1.0068 | 0.9819 |
| Indoline | 0.9527 | 0.9772 | 1.0701 |
| Indoxyl sulfate | 0.9890 | 0.9793 | 1.0317 |
| IS | 1.0105 | 0.9991 | 0.9904 |
| Isocitric acid | 0.9434 | 1.0315 | 1.0251 |
| Isohyodeoxycholic acid | 1.3630 | 0.8977 | 0.7393 |
| Isokobusone | 1.1303 | 0.9306 | 0.9391 |
| Isopimaric acid | 0.8367 | 1.2210 | 0.9423 |
| Isoquinoline | 1.0390 | 0.9796 | 0.9814 |
| Isovalerylcarnitine | 0.8274 | 1.0804 | 1.0922 |
| Ketoleucine | 0.9430 | 1.0248 | 1.0322 |
| Kynurenine | 0.9930 | 0.9902 | 1.0168 |
| Lactic acid | 0.8659 | 0.9717 | 1.1624 |
| Lauroyl diethanolamide | 1.0546 | 0.9635 | 0.9818 |
| Lenticin | 0.9932 | 0.9911 | 1.0156 |
| Leucine | 0.9747 | 0.8825 | 1.1428 |
| Linoelaidic acid | 1.1457 | 0.9271 | 0.9271 |
| Linoleyl carnitine | 1.4817 | 0.7078 | 0.8105 |
| "L,L-Cyclo(leucylprolyl)" | 1.0228 | 1.0006 | 0.9766 |
| Lubiminol | 1.0151 | 0.9930 | 0.9919 |
| "LysoPC(0:0/18:2(9Z,12Z))" | 0.8447 | 1.0901 | 1.0652 |
| LysoPC(14:0/0:0) | 1.1488 | 0.9656 | 0.8856 |
| LysoPC(15:0/0:0) | 1.3074 | 0.8476 | 0.8450 |
| LysoPC(16:0/0:0) | 1.0723 | 0.9248 | 1.0030 |
| LysoPC(17:0/0:0) | 1.1392 | 0.9301 | 0.9307 |
| LysoPC(18:0) | 1.2262 | 0.8397 | 0.9341 |
| LysoPC(18:1(9Z)) | 1.1770 | 0.9094 | 0.9135 |
| "LysoPC(18:2(9Z,12Z)/0:0)" | 1.1272 | 0.9412 | 0.9316 |
| LysoPC(20:0/0:0) | 1.1198 | 0.9504 | 0.9298 |
| LysoPC(22:0/0:0) | 1.1511 | 0.9335 | 0.9155 |
| LysoPC(24:0/0:0) | 1.1375 | 0.9386 | 0.9239 |
| LysoPC(O-18:0/0:0) | 1.1477 | 0.9277 | 0.9247 |
| LysoPC(P-16:0/0:0) | 1.1268 | 0.9136 | 0.9596 |
| LysoPC(P-18:0/0:0) | 1.1184 | 0.9430 | 0.9386 |
| LysoPE(16:0/0:0) | 1.0263 | 1.0198 | 0.9538 |
| LysoPE(18:0/0:0) | 1.0529 | 0.9890 | 0.9580 |
| LysoPE(18:1(9Z)/0:0) | 0.9635 | 1.0280 | 1.0085 |
| Mandelic acid | 1.0340 | 0.9197 | 1.0463 |
| Mesaconic acid | 0.8358 | 1.0537 | 1.1105 |
| Mesterolone | 1.0493 | 0.9937 | 0.9570 |
| Methionine sulfoxide | 0.9900 | 1.0093 | 1.0007 |
| Methoxypyrazine | 1.0026 | 0.9824 | 1.0150 |
| "Methyl 4,8-decadienoate" | 0.9647 | 1.0167 | 1.0187 |
| Methyl gallate | 0.9696 | 1.0356 | 0.9948 |
| Methyl jasmonate | 1.0511 | 0.9429 | 1.0060 |
| Methyl linoleate | 1.1784 | 0.8873 | 0.9344 |
| Methylmalonic acid | 0.8933 | 1.0329 | 1.0738 |
| Metyrosine | 0.8869 | 1.0006 | 1.1126 |
| MG(0:0/16:0/0:0) | 1.1118 | 0.9155 | 0.9727 |
| MG(22:1(13Z)/0:0/0:0) | 1.0161 | 0.9806 | 1.0034 |
| Monobutylphthalate | 0.9559 | 1.0704 | 0.9738 |
| Monoethylhexyl phthalic acid | 0.9944 | 0.9934 | 1.0122 |
| Monoethyl phthalate | 0.9440 | 1.0149 | 1.0411 |
| Monoisobutyl phthalic acid | 0.9891 | 0.9981 | 1.0128 |
| Monomethyl phthalate | 0.9963 | 0.9517 | 1.0521 |
| Monooctyl phthalate | 0.9878 | 0.9951 | 1.0171 |
| Monoolein | 1.0576 | 0.9747 | 0.9677 |
| N-[(3s)-2-Oxotetrahydrofuran-3-Yl]butanamide | 1.0493 | 0.9813 | 0.9695 |
| N6-Carboxymethyllysine | 0.9570 | 1.0349 | 1.0082 |
| "N6,N6,N6-Trimethyl-L-lysine" | 1.1248 | 0.8819 | 0.9932 |
| N-ACE | 0.9894 | 0.9274 | 1.0832 |
| N-Acetylaminooctanoic acid | 0.9209 | 0.9676 | 1.1115 |
| N-Acetylaspartic acid | 0.9703 | 1.0289 | 1.0007 |
| N-Acetylglutamine | 1.0782 | 0.8504 | 1.0714 |
| N-Acetyl-L-alanine | 0.9724 | 1.0370 | 0.9906 |
| N-Acetylleucine | 0.7878 | 1.0660 | 1.1462 |
| N-Acetyltryptophan | 0.9555 | 0.9946 | 1.0499 |
| N-Acetylvanilalanine | 0.9880 | 1.0042 | 1.0078 |
| Nicotinamide N-oxide | 0.7741 | 1.5040 | 0.7218 |
| N-Isobutyloctadeca-trans-2-trans-4-dienamide | 1.0340 | 0.9735 | 0.9925 |
| N-methyl-L-glutamic Acid | 0.9006 | 1.0326 | 1.0668 |
| Norvaline | 0.8875 | 0.9817 | 1.1308 |
| N-Phenylacetylglutamine | 1.0977 | 0.9229 | 0.9794 |
| Nutriacholic acid | 0.9412 | 0.9145 | 1.1443 |
| Octadecenoylcarnitine | 1.4304 | 0.7188 | 0.8508 |
| Octanoylcarnitine | 1.5233 | 0.7088 | 0.7679 |
| Oleamide | 1.0287 | 1.0159 | 0.9554 |
| Oligomycin | 1.0583 | 0.9972 | 0.9445 |
| o-Phenetidine | 0.9067 | 0.9977 | 1.0955 |
| Ornithine | 1.0895 | 0.9743 | 0.9361 |
| Orotidine | 1.0024 | 0.9987 | 0.9989 |
| o-Tyrosine | 0.8005 | 1.0198 | 1.1797 |
| Oxandrolone | 0.8661 | 1.1803 | 0.9536 |
| Oxibendazole | 0.9226 | 1.0218 | 1.0556 |
| Palmitelaidic acid | 1.0258 | 1.0354 | 0.9388 |
| Palmitoleic acid | 1.1651 | 0.8747 | 0.9602 |
| Paracetamol sulfate | 0.1528 | 1.2990 | 1.5482 |
| PC(14:0/14:0) | 1.1549 | 0.9231 | 0.9220 |
| PC(14:0/16:0) | 1.1134 | 0.9360 | 0.9506 |
| PC(16:0/14:0) | 1.0624 | 0.9410 | 0.9965 |
| PC(16:0/16:0) | 1.1550 | 0.9304 | 0.9146 |
| PC(16:0/18:0) | 1.2052 | 0.8477 | 0.9471 |
| PC(16:0/18:1(9Z)) | 1.0959 | 0.9423 | 0.9618 |
| "PC(16:0/20:4(5Z,8Z,11Z,14Z))" | 1.0102 | 0.9742 | 1.0156 |
| "PC(16:0/20:5(5Z,8Z,11Z,14Z,17Z))" | 1.1342 | 0.9251 | 0.9407 |
| "PC(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" | 1.0866 | 0.9356 | 0.9778 |
| PC(16:1(9Z)/16:1(9Z)) | 1.1654 | 0.9061 | 0.9286 |
| "PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" | 1.1182 | 0.9380 | 0.9438 |
| PC(18:0/16:0) | 1.1927 | 0.8912 | 0.9162 |
| PC(18:0/18:0) | 1.1453 | 0.9345 | 0.9202 |
| PC(18:0/18:1(9Z)) | 1.1400 | 0.9220 | 0.9379 |
| "PC(18:0/18:2(9Z,12Z))" | 1.0983 | 0.9308 | 0.9709 |
| "PC(18:0/20:4(5Z,8Z,11Z,14Z))" | 1.1456 | 0.9280 | 0.9264 |
| "PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" | 1.1653 | 0.9026 | 0.9321 |
| PC(18:1(9Z)/14:0) | 1.0542 | 0.9671 | 0.9786 |
| PC(18:1(9Z)/16:0) | 1.1585 | 0.9067 | 0.9349 |
| PC(18:1(9Z)/18:1(9Z)) | 1.1008 | 0.9463 | 0.9530 |
| "PC(18:2(9Z,12Z)/18:2(9Z,12Z))" | 1.1140 | 0.9375 | 0.9484 |
| "PC(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))" | 1.1538 | 0.9106 | 0.9356 |
| "PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))" | 1.1634 | 0.8998 | 0.9368 |
| "PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)" | 1.1872 | 0.8889 | 0.9238 |
| "PC(O-16:0/20:3(8Z,11Z,14Z))" | 1.1496 | 0.9266 | 0.9238 |
| "PC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))" | 1.1755 | 0.9094 | 0.9151 |
| "PC(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" | 1.1190 | 0.9572 | 0.9239 |
| PC(O-18:1(9Z)/16:0) | 1.1807 | 0.9097 | 0.9096 |
| PC(P-18:0/18:1(9Z)) | 1.1804 | 0.9000 | 0.9195 |
| "PC(P-18:0/20:4(5Z,8Z,11Z,14Z))" | 1.1701 | 0.9142 | 0.9157 |
| "PC(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" | 1.1481 | 0.9248 | 0.9271 |
| p-Cresol | 1.0211 | 0.9662 | 1.0127 |
| p-Cresol sulfate | 0.9614 | 0.9851 | 1.0536 |
| p-Cymene | 0.9058 | 1.0950 | 0.9992 |
| PE(16:0/18:1(11Z)) | 1.0338 | 0.9734 | 0.9928 |
| "PE(16:0/18:2(9Z,12Z))" | 0.9444 | 0.9925 | 1.0631 |
| "PE(16:0/20:4(5Z,8Z,11Z,14Z))" | 0.9044 | 1.0193 | 1.0763 |
| "PE(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" | 1.0580 | 0.9527 | 0.9894 |
| PE(18:0/18:1(9Z)) | 1.0764 | 0.9547 | 0.9688 |
| "PE(18:0/20:4(5Z,8Z,11Z,14Z))" | 0.9603 | 0.9981 | 1.0417 |
| "PE(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" | 1.0662 | 0.9511 | 0.9827 |
| PE(18:1(9Z)/18:1(9Z)) | 0.9286 | 0.9736 | 1.0978 |
| "PE(18:2(9Z,12Z)/18:2(9Z,12Z))" | 0.8818 | 1.1080 | 1.0102 |
| PE-NMe2(16:0/16:0) | 1.1621 | 0.9077 | 0.9301 |
| Pentaethylene glycol | 1.1235 | 0.8635 | 1.0130 |
| "PE(P-18:0/20:4(5Z,8Z,11Z,14Z))" | 1.1890 | 0.9060 | 0.9051 |
| "PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" | 1.1454 | 0.9149 | 0.9397 |
| Phenacemide | 0.9898 | 0.9878 | 1.0224 |
| Phenylalanine | 0.9093 | 0.9911 | 1.0996 |
| Phenylalanylproline | 0.9427 | 1.0085 | 1.0488 |
| Phthalic acid | 0.9768 | 1.0769 | 0.9464 |
| PI(16:0/18:1(9Z)) | 1.0889 | 0.9313 | 0.9798 |
| "PI(18:0/20:4(5Z,8Z,11Z,14Z))" | 0.9768 | 0.9830 | 1.0402 |
| Pi-Methylimidazoleacetic acid | 1.0133 | 0.9806 | 1.0062 |
| Pipecolic acid | 0.9678 | 0.9683 | 1.0639 |
| piperidine-1-carboxamide | 1.0014 | 0.9848 | 1.0138 |
| Piperine | 0.9712 | 1.0819 | 0.9469 |
| Polygodial | 1.0897 | 0.9415 | 0.9688 |
| Pregnenolone sulfate | 1.0085 | 0.9582 | 1.0333 |
| Proline | 0.8498 | 1.0457 | 1.1044 |
| Propionylcarnitine | 0.9938 | 1.0210 | 0.9851 |
| Propylenediamine tetra-acetic acid | 0.8549 | 1.1412 | 1.0039 |
| Prostaglandin E1 | 1.0204 | 1.0444 | 0.9352 |
| Prostaglandin F1a | 1.1761 | 0.8433 | 0.9807 |
| Prostaglandin H1 | 1.2392 | 0.8501 | 0.9107 |
| Prostaglandin lactone-diol | 1.0062 | 0.9844 | 1.0093 |
| PS(18:0/18:1(9Z)) | 1.0595 | 0.9748 | 0.9656 |
| Psilostachyin | 1.0031 | 0.9829 | 1.0140 |
| Pyroglutamic acid | 0.2355 | 0.2336 | 2.5309 |
| Quinic acid | 0.9967 | 0.9850 | 1.0183 |
| (R)-2-Hydroxyhexadecanoic acid | 1.1807 | 0.8488 | 0.9705 |
| (R)-3-Hydroxy-Octadecanoic acid | 1.2380 | 0.9037 | 0.8583 |
| (R)C(S)S-Alliin | 0.9691 | 1.0187 | 1.0122 |
| (S)-3-Hydroxybutyric acid | 0.8278 | 0.9907 | 1.1816 |
| (+)-Sabinene | 1.2582 | 0.8119 | 0.9299 |
| Sedoheptulose | 0.9271 | 1.0189 | 1.0540 |
| SM(d18:1/12:0) | 1.1834 | 0.9081 | 0.9085 |
| SM(d18:1/16:0) | 1.1265 | 0.9389 | 0.9346 |
| SM(d18:1/18:0) | 1.2234 | 0.8568 | 0.9198 |
| SM(d18:1/18:1(9Z)) | 1.2030 | 0.8727 | 0.9243 |
| SM(d18:1/22:0) | 1.2676 | 0.8621 | 0.8703 |
| SM(d18:1/24:0) | 0.6910 | 0.8928 | 1.4162 |
| SM(d18:1/24:1) | 1.2292 | 0.8486 | 0.9222 |
| Spermine | 0.8248 | 0.9284 | 1.2467 |
| Sphinganine 1-phosphate | 1.0637 | 0.8958 | 1.0405 |
| Sphingosine | 0.9332 | 1.0089 | 1.0580 |
| Sphingosine 1-phosphate | 1.1143 | 0.9171 | 0.9685 |
| Stearamide | 1.1273 | 0.8951 | 0.9776 |
| Stearic acid | 0.8799 | 1.0676 | 1.0525 |
| Stearidonic acid | 1.0888 | 0.9129 | 0.9984 |
| Stearolic acid | 1.0951 | 0.9628 | 0.9420 |
| Succinamide | 0.8893 | 1.1169 | 0.9937 |
| Succinic acid | 0.9823 | 0.9952 | 1.0224 |
| Succinic acid-d4 | 0.8755 | 1.0362 | 1.0883 |
| Succinic acid semialdehyde | 0.9324 | 0.9234 | 1.1442 |
| Taurochenodesoxycholic acid | 0.5172 | 1.2483 | 1.2344 |
| Taurocholic acid | 0.5435 | 1.2151 | 1.2413 |
| Taurodeoxycholic Acid | 0.4663 | 1.2414 | 1.2923 |
| Tauroursodeoxycholic acid | 0.4150 | 1.2875 | 1.2975 |
| Testosterone | 1.1071 | 0.9609 | 0.9320 |
| Tetradecanedioic acid | 1.0215 | 0.9784 | 1.0001 |
| Tetradecenoylcarnitine | 1.6383 | 0.5848 | 0.7769 |
| Tetraethylene glycol | 1.0660 | 0.9008 | 1.0332 |
| Tetranor 12-HETE | 1.1338 | 0.8743 | 0.9919 |
| Theobromine | 1.0529 | 0.9439 | 1.0031 |
| Threonic acid | 0.9673 | 1.0700 | 0.9626 |
| Threonine | 0.9639 | 0.9158 | 1.1203 |
| tributyl phosphate | 0.9736 | 1.0291 | 0.9974 |
| Tricosanoic acid | 1.0149 | 0.9754 | 1.0097 |
| Triethylene glycol dimethacrylate | 1.0810 | 0.8968 | 1.0222 |
| Trigonelline | 1.1865 | 0.8673 | 0.9462 |
| Triphenyl phosphate | 0.6421 | 1.4501 | 0.9078 |
| TRIS(3-CHLOROPROPYL)PHOSPHATE | 1.0002 | 0.9889 | 1.0109 |
| Tyrosine | 0.9040 | 1.0051 | 1.0910 |
| Ureidoisobutyric acid | 1.0056 | 0.9975 | 0.9968 |
| Uric acid | 0.8507 | 1.0357 | 1.1135 |
| Uridine | 1.2904 | 0.6931 | 1.0165 |
| Urobilin | 0.8965 | 0.9788 | 1.1246 |
| Urocanic acid | 0.8105 | 1.0951 | 1.0944 |
| Ursodeoxycholic acid | 1.0158 | 0.9709 | 1.0133 |
| Valeric acid | 1.0711 | 0.9345 | 0.9944 |
| Valylserine | 0.7264 | 1.3261 | 0.9475 |
| Vanillic acid | 0.9804 | 1.0164 | 1.0031 |
| Vitamin A | 1.0444 | 0.9958 | 0.9598 |
| Xestoaminol C | 0.9184 | 1.0225 | 1.0591 |
| xi-5-Dodecanolide | 1.0361 | 0.9654 | 0.9984 |
Factors:
| F1 | Time:0 |
| F2 | Time:120 |
| F3 | Time:60 |
