Data for (Study ST003622)
(Analysis AN005952)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 | F4 | F5 |
|---|---|---|---|---|---|
| 10-Oxodecanoate | NA | NA | 1.0823 | 0.8746 | 0.9646 |
| (10S)-Juvenile hormone III diol | 0.7914 | NA | 1.4429 | 0.6378 | 1.1431 |
| 1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane | 1.0544 | NA | 0.9361 | 1.0442 | 0.9780 |
| 11-Hydroxycanthin-6-one | 0.9973 | NA | 0.9831 | 0.9561 | 1.0464 |
| 1,2,3,7,8-Pentachlorodibenzofuran | 0.9834 | NA | 1.0243 | 0.9897 | 1.0025 |
| 1,2-Dehydroreticuline | 1.0750 | NA | 0.9687 | 1.0109 | 0.9639 |
| 12-Hydroxydodecanoic acid | 0.9763 | NA | 0.9045 | 1.1000 | 1.0130 |
| 12-Sulfooxyjasmonate | 0.9769 | NA | 0.9884 | 0.9924 | 0.9334 |
| 1-(3,4-Dihydroxyphenyl)-5-hydroxy-3-decanone | 0.8028 | NA | 1.3170 | 0.8505 | 0.8993 |
| 1,4-Dichlorobenzene | 1.0001 | NA | 0.9381 | 1.1192 | 0.9507 |
| 1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole | 0.6857 | NA | 1.3874 | 1.0921 | 0.6697 |
| 16-Hydroxypalmitate | 1.1099 | NA | 0.9500 | 0.9736 | 0.9897 |
| 1,6-Naphthalenedisulfonic acid | 0.9750 | NA | 1.0422 | 1.0176 | 0.9666 |
| 1,9b-dihydroxy-6,6,9a-trimethyl-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one | 0.8563 | NA | 1.4457 | 0.6036 | 0.7401 |
| 1^-Acetoxychavicol acetate | 0.9990 | NA | 0.9701 | 1.0123 | 1.0158 |
| 1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione | 0.9885 | NA | 0.9678 | 1.0603 | 0.9815 |
| 1H-2-benzopyran-1-one, 6,8-dihydroxy-3-methyl- | 1.0035 | NA | 1.1948 | 0.8263 | 0.9795 |
| 1-Naphthalenesulfonic acid | 0.9761 | NA | 1.0056 | 0.9723 | 0.9764 |
| 1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one | 0.9715 | NA | 1.2443 | 1.0120 | 0.7770 |
| (1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate | 0.9388 | NA | 0.9530 | 1.1801 | 0.9641 |
| (1-Ribosylimidazole)-4-acetate | 1.0113 | NA | 0.9449 | 1.1549 | 0.9064 |
| 2,2^,4,4^,5,5^-Hexachlorobiphenyl | 0.9770 | NA | 1.1062 | 0.9174 | 0.9962 |
| 2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate | 1.0189 | NA | 0.9909 | 1.0052 | 1.0175 |
| 2,3,3^,4,5-Pentachlorobiphenyl | 1.0226 | NA | 1.0234 | 0.9979 | 1.0116 |
| 2,3,9,10-Tetrahydroxyberbine | 1.0079 | NA | 0.9330 | 1.0359 | 1.0567 |
| 2^,3^-Cyclic UMP | 1.0593 | NA | 0.9192 | 1.1273 | 0.9359 |
| 2,3-Dibromo-1-propanol | 1.0223 | NA | 0.9247 | 1.0140 | 1.0145 |
| 2,3-Dihydroxy-p-cumate | 1.0482 | NA | 1.1051 | 0.9250 | 0.9541 |
| 2,4,6-Tribromophenol | 0.9806 | NA | 1.0481 | 0.9357 | 1.0277 |
| 2,4,6-Trichlorophenol | 1.0079 | NA | 1.0106 | 1.0148 | 1.0354 |
| 2,4,6-Trihydroxybenzophenone | 0.7383 | NA | 0.7571 | 0.7697 | 0.7717 |
| 2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid | 0.7964 | NA | 1.4944 | 0.6519 | 0.9074 |
| 2,6-Diamino-7-hydroxy-azelaic acid | 0.9847 | NA | 0.9671 | 0.9670 | 1.0674 |
| 2,7-Anhydro-alpha-N-acetylneuraminic acid | 0.8817 | NA | NA | 1.0589 | 0.9413 |
| 2-Aceto-2-hydroxybutanoate | NA | NA | NA | 1.0491 | 0.9509 |
| 2alpha-Methyl-17beta-[(tetrahydro-2H-pyran-2-yl)oxy]-5alpha-androstan-3-one | 0.9853 | NA | 1.0014 | 0.9880 | 0.9717 |
| 2-Amino-5-chloromuconate 6-semialdehyde | 0.7282 | NA | 1.0429 | 0.8351 | 1.2684 |
| 2-Aminoadenosine | 1.0057 | NA | 1.0095 | 0.9656 | 0.9889 |
| 2-Chloro-cis,cis-muconate | 1.0409 | NA | 0.9344 | 1.0437 | 0.9896 |
| 2-Chlorophenylhydrazine hydrochloride | 0.9756 | NA | 0.8440 | 0.8861 | 1.1603 |
| 2-Ethylhexyl phthalate | 0.9633 | NA | 0.9865 | 0.9859 | 1.0478 |
| 2-Hydroxy-4-methylpentanoate | 1.0058 | NA | 1.1050 | 0.9723 | 0.9297 |
| 2-Hydroxy-6-oxo-(2^-aminophenyl)-hexa-2,4-dienoate | 1.0321 | NA | 0.9403 | 1.0878 | 0.9529 |
| 2^-Hydroxybiphenyl-2-sulfinate | 0.9735 | NA | 1.1323 | 0.6888 | 1.0577 |
| 2-Hydroxyethanesulfonate | 1.0466 | NA | 0.9411 | 1.0533 | 0.9715 |
| 2-Hydroxymethylclavam | 0.9303 | NA | 1.1914 | 0.8860 | 0.9049 |
| 2-Iodophenol | 1.0402 | NA | 0.9771 | 1.0560 | 1.0378 |
| 2-Iodophenol methyl ether | 1.0085 | NA | 0.7924 | 1.1275 | 1.0415 |
| 2-[(L-Alanin-3-ylcarbamoyl)methyl]-2-hydroxybutanedioate | 1.0343 | NA | 1.0582 | 0.9261 | 0.9889 |
| 2-Methylglutaric acid | 0.9588 | NA | 1.1868 | 0.9769 | 0.9476 |
| 2-METHYLLACTIC ACID | 0.9864 | NA | 1.1301 | 0.8797 | 1.0014 |
| 2^^^-N-Acetyl-6^^^-deamino-6^^^-hydroxyneomycin C | 0.8454 | NA | 0.9297 | 1.2358 | 0.8925 |
| 2^^^-N-Acetyl-6^^^-deamino-6^^^-hydroxyparomomycin II | 0.8930 | NA | 0.8989 | 0.8245 | 0.8929 |
| 2-Oxoadipate | 0.9630 | NA | 1.6986 | 0.6171 | 0.7558 |
| 2-Oxobutanoate | 0.9491 | NA | 1.0648 | 1.0362 | 0.9601 |
| 2-Oxoglutaric acid | 0.9835 | NA | 1.2745 | 0.8744 | 0.8842 |
| 2-Phosphoglycolate | 1.0185 | NA | 1.0230 | 1.0128 | 1.0172 |
| (2R,3R)-2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one | 0.9334 | NA | 0.6150 | 1.0987 | 1.1280 |
| (2R,3R,4S,5S,6R)-2-[(3R)-1,7-bis(3,4-dihydroxyphenyl)heptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol | 1.0065 | NA | 0.9964 | 0.9996 | 0.9866 |
| [(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 4-hydroxy-2-methoxy-6-methylbenzoate | 0.9760 | NA | 1.1192 | 0.9773 | 0.9344 |
| 3-(2,6-dihydroxyphenyl)-4-hydroxy-6-methyl-3H-2-benzofuran-1-one | 0.9896 | NA | 1.0271 | 1.0321 | 0.9567 |
| 3-(3,4-Dihydroxyphenyl)lactate | 1.0170 | NA | 0.8772 | 1.1935 | 0.9273 |
| 3-(3,4-Dihydroxypyridin-1-yl)-L-alanine | 1.0550 | NA | 0.8512 | 1.1720 | 0.9408 |
| 3,4,3^-Tri-O-methylellagic acid | 1.0154 | NA | 0.9751 | 1.0385 | 1.0471 |
| 3,4-Dihydroxymandelate | 1.0247 | NA | 0.9730 | 1.0373 | 0.9735 |
| 3,4-Dimethoxycinnamic acid | 1.0548 | NA | 0.8948 | 1.0203 | 1.0426 |
| 3-(4-Hydroxyphenyl)pyruvate | 0.7556 | NA | 0.7330 | 1.2884 | 0.9565 |
| 3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid | 0.8812 | NA | 2.2641 | 0.2821 | 0.6167 |
| 3^,5^-Cyclic AMP | 0.9412 | NA | 1.0689 | 1.0144 | 0.9674 |
| 3^,5^-Cyclic IMP | 0.9445 | NA | 0.8581 | 1.0917 | 0.8134 |
| 3,5-Dichloro-L-tyrosine | 1.0142 | NA | 0.9992 | 1.0452 | 0.9518 |
| 3-(8-hydroxyoctyl)phenol | 0.9603 | NA | 0.9600 | 0.9653 | 0.8527 |
| 3-Carboxy-cis,cis-muconate | 1.0147 | NA | 0.9837 | 0.9862 | 1.0153 |
| 3-Chlorosalicylanilide | 0.8560 | NA | 1.2551 | 2.2985 | 0.3820 |
| 3-Dehydroquinate | 0.9530 | NA | 1.0461 | 1.0604 | 0.9423 |
| 3-Dehydroshikimate | 0.9638 | NA | 1.0165 | 1.0113 | 1.0045 |
| (3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate | 0.9913 | NA | 0.9234 | 1.0849 | 0.9862 |
| 3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methyl-4-oxopyran-3-yl)oxyoxan-2-yl]methoxy]pentanoic acid | 0.9897 | NA | 0.9857 | 1.0228 | 1.1743 |
| 3-Hydroxy-3-methylglutaric acid | 0.9571 | NA | 1.3409 | 0.8722 | 0.8480 |
| 3-Hydroxybutyric acid | 1.0300 | NA | 1.1932 | 0.8945 | 0.9034 |
| 3-Hydroxycapric acid | 1.0219 | NA | 0.8335 | 1.3008 | 0.8692 |
| 3-Hydroxyhexobarbital | 1.0122 | NA | 0.9952 | 0.9902 | 1.0050 |
| 3-Hydroxyquinine | 0.9831 | NA | 0.9905 | 0.9885 | 1.0105 |
| 3-Hydroxyvaleric acid | 1.0026 | NA | 1.1765 | 0.8897 | 0.9414 |
| 3-Methyl-2-oxobutanoic acid | 1.0045 | NA | 0.9915 | 1.0503 | 0.9610 |
| 3-Methyl-2-oxovaleric acid | 1.0062 | NA | 0.9587 | 1.2216 | 0.8410 |
| 3-Oxododecanoic acid | 0.9875 | NA | 0.9498 | 1.0374 | 1.0199 |
| 3-Phosphonooxypyruvate | 0.9918 | NA | 1.0424 | 0.9201 | 1.0516 |
| 3-Sulfocatechol | 0.7573 | NA | 1.2110 | 1.0265 | 1.0440 |
| 4,4-Disubstituted cyclohexenone | 0.9987 | NA | 0.6724 | 1.3071 | 1.0185 |
| 4,4^-Methylenebis(N,N-dimethylaniline) | 0.6865 | NA | 1.2493 | 0.6338 | 1.1951 |
| 4,5,6,7-Tetrachloro-2-trifluoromethylbenzimidazole | 1.0060 | NA | 1.0350 | 0.9907 | 0.9662 |
| 4,5-Methylenedioxy-6-hydroxyaurone | 0.8982 | NA | 1.0027 | 1.2060 | 0.9733 |
| 4^-Apo-beta,psi-caroten-4^-al | 0.6709 | NA | 0.8102 | NA | 0.6726 |
| 4-(beta-D-Glucosyloxy)benzoate | 1.0554 | NA | 1.1895 | 0.9492 | 0.8059 |
| 4-Bromophenylacetate | 0.9975 | NA | 1.1297 | 0.8881 | 0.9865 |
| 4-Chlorocatechol | 0.9617 | NA | 0.9671 | 1.2926 | 0.8465 |
| 4-Chlorophenol | 1.0543 | NA | 0.9594 | 1.0263 | 0.9735 |
| 4-Hydroxy-6-methylpretetramide | 1.0714 | NA | 0.8468 | 0.7938 | 1.2570 |
| 4-Hydroxybenzoate | 1.0576 | NA | 1.3060 | 0.9880 | 0.8987 |
| 4-Hydroxybutanoic acid | 0.9334 | NA | 0.9837 | 1.0951 | 0.9735 |
| 4-Hydroxycinnamyl alcohol 4-D-glucoside | NA | NA | 1.0859 | NA | 0.8281 |
| 4-Hydroxyphenylacetate | 0.9847 | NA | 1.0195 | 1.0010 | 0.9935 |
| 4-Imidazolone-5-propanoate | 0.8748 | NA | 1.1456 | 0.8928 | 0.9603 |
| 4-Isopropylbenzaldehyde | 0.9775 | NA | 1.0272 | 1.0472 | 1.0062 |
| 4-Maleylacetoacetate | 0.9506 | NA | 1.1693 | 0.9829 | 0.8776 |
| 4-Methylumbelliferone sulfate | 0.8756 | NA | 1.0182 | 1.2763 | 0.8091 |
| 4-Nitrophenol | 0.9933 | NA | 1.1872 | 0.9419 | 0.9087 |
| 4-oxo-5-phenylpentanoic acid | 0.9936 | NA | 1.0045 | 0.9904 | 1.0089 |
| 4-Pyridoxate | 0.8228 | NA | 1.2599 | 1.0529 | 0.8606 |
| 5,10-Methenyltetrahydrofolate | 0.8777 | NA | 1.0301 | 0.9991 | 1.0932 |
| 5,10-Methylenetetrahydromethanopterin | 0.8456 | NA | 0.8326 | 0.8916 | 0.7901 |
| 5,6-Dichloro-1,3-cyclohexadiene | 1.0587 | NA | 0.9215 | 0.9925 | 1.0318 |
| 5,6-dihydropenicillic acid | 0.9997 | NA | 0.9827 | 1.0160 | 0.9981 |
| 5-Aminolevulinate | 0.9988 | NA | 1.1598 | 0.9771 | 0.8835 |
| 5^-Butyrylphosphoinosine | 0.7311 | NA | 0.6651 | 0.8239 | 0.7324 |
| 5-Fluorodeoxyuridine monophosphate | 0.8900 | NA | 0.7061 | 1.1545 | 1.0522 |
| 5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate | 1.0959 | NA | 1.0342 | 1.0865 | 1.1032 |
| [5-hydroxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylbutanoate | 0.5838 | NA | 1.8633 | 0.2526 | 0.7918 |
| 5-Methoxy-3-indoleacetic acid | 0.9868 | NA | 1.0833 | 1.1150 | 0.8394 |
| 5-Methoxypsoralen | 0.9789 | NA | 0.9358 | 1.0881 | 0.9946 |
| 5^-Methylthioadenosine | 0.7255 | NA | 1.0574 | NA | 1.0449 |
| 5-Phosphoribosylamine | 1.0205 | NA | 1.0034 | 0.9957 | 0.9871 |
| 5^-Phosphoribosyl-N-formylglycinamide | 1.0107 | NA | 1.0259 | 0.9689 | 0.9968 |
| 6-Benzylaminopurine | 0.9919 | NA | 1.0251 | 0.9683 | 1.0012 |
| 6-Chlorobenzene-1,2,4-triol | 1.0157 | NA | 1.0195 | 1.0217 | 1.0004 |
| 6^^^-Deamino-6^^^-oxoparomomycin II | 0.8993 | NA | 0.9216 | 0.8433 | 0.9028 |
| 6-Deoxy-6-sulfo-D-fructose 1-phosphate | 1.0546 | NA | 0.9784 | 1.2095 | 0.8000 |
| [6]-Gingerol | 1.0458 | NA | 1.0407 | 0.8152 | 1.3189 |
| 6-Hydroxyindolelactate | 0.6294 | NA | 1.1640 | NA | 0.8573 |
| 6-Hydroxymelatonin | 1.0120 | NA | 1.0594 | 0.9485 | 0.9584 |
| 6?-Naltrexol | 1.0651 | NA | 0.9436 | 1.0036 | 0.9969 |
| 6-Phospho-2-dehydro-D-gluconate | 1.0015 | NA | 1.0012 | 1.0633 | 0.9436 |
| (6R)-10-Formyltetrahydropteroyldiglutamate | 0.7497 | NA | 1.0189 | 1.2377 | 1.0836 |
| 7,3^-Dihydroxy-4^-methoxy-8-methylflavan | 0.9951 | NA | 0.9552 | 0.9875 | 0.9805 |
| 8-Amino-7-oxononanoate | 1.7120 | NA | 0.8710 | 0.7580 | 0.8094 |
| 8-Hydroxy-3,4-dichlorodibenzofuran | 1.0259 | NA | 1.0010 | 0.9900 | 0.9892 |
| (9E)-11a-hydroxy-3,6,10-trimethyl-6,7,8,11-tetrahydro-4H-cyclodeca[b]furan-2,5-dione | 1.0153 | NA | 1.0787 | 1.0735 | 1.1318 |
| 9-methoxycarbonyldec-9-enoic acid | 0.9945 | NA | 0.9494 | 0.9314 | 1.1054 |
| (9R,10R)-Dihydroxyoctadecanoic acid | 1.0705 | NA | 1.0311 | 0.9106 | 1.0154 |
| (9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid | 0.7723 | NA | 1.3650 | 0.8096 | 1.0652 |
| (9Z)-(7S,8S)-Dihydroxyoctadecenoic acid | NA | NA | 1.0735 | 1.0345 | 0.9490 |
| Abscisic acid glucose ester | 0.9229 | NA | 0.7626 | 1.2594 | 0.9557 |
| Acacetin | 0.9993 | NA | 0.9328 | 1.1222 | 0.9547 |
| (-)-Acanthocarpan | 1.0374 | NA | 0.9483 | 1.0086 | 1.0102 |
| Acetate | 1.0077 | NA | 1.1949 | 0.8793 | 0.9309 |
| Acetochlor | NA | NA | 0.9704 | NA | 1.0222 |
| Acetylenedicarboxylate | 1.0251 | NA | 1.1008 | 0.9814 | 0.9674 |
| Acetylleucine | 0.9748 | NA | 1.7497 | 0.3228 | 0.9559 |
| Adenosine Monophosphate | 0.9669 | NA | 0.8373 | 1.0048 | 1.1590 |
| Affinisine | 0.8934 | NA | 1.0082 | 0.9933 | 1.0555 |
| Agathisflavone | 1.0419 | NA | 0.9373 | 1.0222 | 1.0374 |
| Agnuside | 1.0160 | NA | 0.9807 | 0.9862 | 0.9390 |
| Allocryptopine | 0.9690 | NA | 0.7001 | 1.2643 | 1.0098 |
| alpha-Ribazole | NA | NA | 0.6652 | 0.9754 | 0.7766 |
| alpha-Santonin | 1.0057 | NA | 1.1429 | 0.9698 | 0.8993 |
| Alprazolam | 0.9927 | NA | 0.9568 | 1.0069 | 0.9709 |
| Aminoparathion | 0.9712 | NA | 0.9466 | 1.0811 | 0.9841 |
| Angelicin | NA | NA | 0.4297 | 0.3713 | 0.3346 |
| Anhydrochlortetracycline | 0.9943 | NA | NA | 0.9749 | 1.0237 |
| Apiole | 1.0581 | NA | 0.9633 | 0.9942 | 0.9949 |
| Aplysin | 1.0561 | NA | 0.8219 | 1.0674 | 0.9990 |
| Aprobarbital | 0.8846 | NA | 1.0323 | 0.8539 | 0.9310 |
| Arabinofuranosyluracil | 0.9838 | NA | 0.9853 | 1.1049 | 0.9343 |
| Aryl sulfate | 1.0411 | NA | 1.1922 | 0.6000 | 1.1487 |
| Ascorbate | 0.9683 | NA | 0.8642 | 1.2179 | 0.9523 |
| Ascorbate 2-sulfate | 0.9922 | NA | 0.8513 | 1.1354 | 1.0170 |
| Asparagusate | 1.0427 | NA | 0.9389 | 0.9873 | 1.0328 |
| Aspartame | 0.8375 | NA | 1.1240 | NA | 1.0098 |
| Aspidoalbine | 1.0074 | NA | 0.9339 | 1.0021 | 1.0480 |
| Aspulvinone G | 0.9494 | NA | 1.0285 | 1.0889 | 0.9444 |
| Asulam | 0.9524 | NA | 1.0417 | 1.0127 | 1.0124 |
| Atractylone | 0.9917 | NA | 0.9352 | 1.0998 | 0.9759 |
| AZELAIC ACID | 1.0403 | NA | 1.1551 | 0.9242 | 1.0085 |
| Bakkenolide A | 0.9710 | NA | 1.1315 | 0.9479 | 1.0788 |
| Barium cation | 1.1827 | NA | 1.0257 | 1.2903 | 1.1434 |
| Beclomethasone | 0.8257 | NA | 1.1046 | 0.7937 | 1.1613 |
| Bendiocarb | 0.7931 | NA | 1.0102 | 1.5014 | 0.6594 |
| Benquinox | NA | NA | 1.0553 | 1.0070 | 0.9169 |
| Benzimidazole | 1.0117 | NA | 1.1184 | 0.9101 | 0.9713 |
| Benzoate | 1.0880 | NA | 1.0077 | 1.0216 | 1.0309 |
| Benzofenap | 1.0058 | NA | 0.9697 | 1.1019 | 0.9345 |
| Benzoylprop-ethyl | 0.9504 | NA | 1.0182 | 1.1283 | 0.8742 |
| Benzyl alcohol | 0.9904 | NA | 1.0095 | 1.2858 | 0.7537 |
| Bergapten | 0.9917 | NA | 0.5925 | 1.1192 | 0.9818 |
| beta-1,2,3,4,5,6-Hexachlorocyclohexane | 0.9682 | NA | 1.0925 | 0.9367 | 0.9976 |
| beta-Cyclopiazonate | 0.7053 | NA | 1.3123 | NA | 0.6524 |
| beta-Funaltrexamine | 0.5970 | NA | 1.4081 | 1.2470 | 1.0452 |
| Bialaphos | 1.0011 | NA | 0.9920 | 0.9961 | 1.0094 |
| Bikaverin | 0.8680 | NA | 0.8186 | 1.1148 | 1.0641 |
| Biochanin A-beta-D-glucoside | 0.9624 | NA | 1.0159 | 1.0414 | 0.9729 |
| BIOTIN | 1.0159 | NA | 0.9627 | 0.9992 | 1.0236 |
| Biotin sulfoxide | 0.8424 | NA | 1.3244 | 1.0332 | 0.8777 |
| Bis(4^-chlorophenyl)methane | 1.0267 | NA | 0.9890 | 1.0040 | 0.9869 |
| Borreline | 0.9094 | NA | 0.9017 | 1.0586 | 1.0928 |
| Borrerine | 0.9136 | NA | 0.9945 | 1.1857 | 0.9072 |
| Botrydial | 1.0346 | NA | 0.9215 | 0.9987 | 1.0134 |
| Brimonidine | NA | NA | 0.9989 | 0.9974 | 1.0107 |
| Bruceoside A | 0.9299 | NA | 0.9351 | 0.8619 | 0.9031 |
| Bupivacaine | 0.7298 | NA | 0.9112 | 1.3471 | 0.7835 |
| Busulfan | 0.9984 | NA | 0.8635 | 1.1993 | 0.9474 |
| Butachlor | 1.0480 | NA | 0.9437 | NA | 0.9970 |
| C11-LAS (STANDARD MIX) | 1.0156 | NA | 0.9878 | 0.9998 | 1.0094 |
| C6H9NO3 | 0.8476 | NA | 1.6066 | 0.5242 | 0.8594 |
| C8H8O5 | 1.1098 | NA | 1.0004 | 1.0012 | 1.0093 |
| Cajanol | 1.0252 | NA | 0.9057 | 0.9869 | 1.0739 |
| Calcitriol | 0.9589 | NA | 1.0180 | 0.9815 | 0.9497 |
| Canavanine | 0.9879 | NA | 1.0396 | 0.9750 | 0.9925 |
| Carbetamide | 0.7863 | NA | 1.2803 | 1.1156 | 0.8727 |
| Ceftazidime | 0.8216 | NA | 0.7140 | 1.1961 | 0.7381 |
| Ceftizoxime sodium | 0.9711 | NA | 0.8403 | 1.0263 | 1.1350 |
| Chanoclavine-I | 0.8418 | NA | 1.3109 | NA | 0.8156 |
| Chenodeoxycholate | 0.4848 | NA | 1.0945 | NA | 1.0815 |
| Chloralose | 1.0526 | NA | 0.9920 | 1.0244 | 0.9733 |
| Chloroquine | 1.0013 | NA | 0.9767 | 1.0005 | 1.0186 |
| Chlorphenesin | 1.4700 | NA | NA | 0.8433 | NA |
| Chlorpromazine | 0.9508 | NA | 1.1192 | 0.9229 | 0.9557 |
| CHOLIC ACID | 0.7378 | NA | 1.5900 | 0.4136 | 0.7262 |
| Chrysene | 1.0730 | NA | 1.0017 | 0.9481 | 0.9909 |
| Cinoxacin | 0.9163 | NA | 0.8636 | 1.1440 | 0.7679 |
| cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene | 1.0298 | NA | NA | 1.0783 | 0.8136 |
| cis-2,3-Dihydro-2,3-dihydroxybiphenyl | 0.9192 | NA | 0.9573 | 1.1807 | 0.9151 |
| cis-2,3-Dihydroxy-2,3-dihydro-p-cumate | 1.0319 | NA | 0.9709 | 1.0015 | 1.0008 |
| cis-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide | 0.9296 | NA | 1.1433 | 0.9482 | 0.9662 |
| cis-3,4-Leucopelargonidin | 0.9877 | NA | 0.9772 | 1.1124 | 0.9320 |
| cis-Aconitate | 0.9949 | NA | 0.9520 | 1.2775 | 0.8465 |
| cis-N-Methyl-(S)-7,8,13,14-tetrahydroprotoberberine | 0.5669 | NA | NA | 1.3609 | NA |
| Citric acid | 0.9526 | NA | 1.1305 | 0.9254 | 0.9860 |
| Citrinin | 1.0091 | NA | 1.0163 | 1.0490 | 1.0368 |
| Clomazone | 1.0397 | NA | 0.9676 | 0.9979 | 1.0020 |
| Clomiphene | 0.8957 | NA | 1.1011 | 0.9641 | 1.0075 |
| Clozapine | 1.0316 | NA | 0.8607 | 1.1414 | 0.9757 |
| CNQX | 0.9855 | NA | 1.0177 | 1.0189 | 0.9790 |
| Coformycin | 1.0741 | NA | 0.9273 | 1.1398 | 0.8895 |
| Columbamine | 0.9793 | NA | 1.0305 | 0.8960 | 1.0865 |
| Compound II(R/S) | 0.9843 | NA | 1.0150 | 1.0219 | 0.9891 |
| Convalloside | 0.7844 | NA | 1.0101 | 1.1954 | NA |
| Convoline | 0.9721 | NA | 1.1055 | 0.9099 | 1.0067 |
| Cortisone | NA | NA | 0.7220 | NA | 1.1588 |
| Costatol | 0.9638 | NA | 0.9853 | 0.9993 | 0.9344 |
| Creatine | 1.0155 | NA | 0.9972 | 0.8419 | 1.1265 |
| Crotanecine | 0.6539 | NA | 1.2910 | NA | 0.9648 |
| Cupreine | 0.7944 | NA | 0.9944 | 1.1915 | 0.9859 |
| Cyanazine | 1.0154 | NA | 0.9665 | 1.0038 | 1.0144 |
| Dacthal | 1.0265 | NA | 0.9880 | 1.0138 | 1.0183 |
| Daphnetoxin | 0.8852 | NA | 1.0101 | 0.8091 | 0.8715 |
| D-Arabinono-1,4-lactone | 0.9897 | NA | 1.0488 | 1.0257 | 0.9435 |
| Deacetylcolchicine | 1.0538 | NA | 0.9447 | 1.0235 | 1.0095 |
| Deazaflavin | 0.9699 | NA | 1.2661 | 0.6827 | 1.0763 |
| Dechloroethylcyclophosphamide | 1.0069 | NA | 0.9423 | 1.0946 | 0.9968 |
| delta-3,4,5,6-Tetrachlorocyclohexene | 0.8332 | NA | NA | 1.0345 | 1.0882 |
| Deoxyuridine | 0.9850 | NA | 1.1451 | 0.9253 | 0.9504 |
| Dexamethasone sodium phosphate | 1.0150 | NA | 0.9825 | 1.0030 | 1.0067 |
| Dexmedetomidine | 1.0105 | NA | 0.9463 | 1.0603 | 1.0503 |
| D-Galactose 6-sulfate | 0.9477 | NA | 1.0232 | 1.0886 | 0.9416 |
| D-Gluconic acid | 0.9843 | NA | 1.3051 | 1.0076 | 0.7432 |
| D-Glucose | 1.0600 | NA | 1.0291 | 1.1795 | 1.0664 |
| Dibenz[a,h]acridine | 1.0244 | NA | 1.0011 | 1.0204 | 1.0346 |
| Dibenzylsuccinate | 0.9025 | NA | 1.1358 | 1.1153 | 0.9048 |
| Dibutyl adipate | 0.5910 | NA | 1.7093 | 0.4488 | 0.6833 |
| Dicamba | NA | NA | 0.3103 | 1.4407 | 2.2797 |
| Dichlorvos | 1.1208 | NA | 1.1530 | 0.9122 | 1.1228 |
| Diclofop | 1.0448 | NA | 0.9851 | 0.9741 | 1.0029 |
| Dicumarol | 0.9590 | NA | 0.5470 | 1.1009 | 1.1369 |
| Diflunisal | 1.0106 | NA | 1.0664 | 1.0448 | 0.8783 |
| Dihydrolipoate | 0.8669 | NA | 0.8265 | 1.2356 | 0.9790 |
| Dihydropteroate | 1.0067 | NA | 1.0048 | 0.9820 | 0.9973 |
| Dihydrosanguinarine | 0.9935 | NA | 0.6592 | 1.5828 | 0.7973 |
| DIMBOA-glucoside | 0.8640 | NA | 0.9793 | 1.1223 | 0.9459 |
| Dimethyl telluride | 0.9097 | NA | 1.0567 | 0.9701 | 1.0100 |
| Dimexano | 1.0645 | NA | 1.0104 | 1.0079 | 0.9965 |
| Dinoseb | 0.9790 | NA | 0.9818 | 1.0426 | 1.0062 |
| Diospyrin | 0.9801 | NA | 0.9741 | 0.9457 | 0.9809 |
| Diphenhydramine hydrochloride | 0.9538 | NA | 1.1050 | 0.9677 | 0.9708 |
| Dipivefrin | 0.9149 | NA | 0.7330 | 1.3396 | 0.9986 |
| Disodium malate | 1.0227 | NA | 0.9343 | 1.0523 | 0.9952 |
| Dithranol | 0.8933 | NA | 0.8672 | 1.3526 | 0.8878 |
| D-Lactic acid | 1.0571 | NA | 1.0558 | 1.1398 | 1.0745 |
| DL-b-Hydroxycaprylic acid | 1.0463 | NA | 0.8256 | 1.3571 | 0.8103 |
| DL-Isocitric acid | 0.9574 | NA | 1.1006 | 0.9780 | 0.9630 |
| D-Lombricine | 0.6848 | NA | 1.5258 | NA | 0.7893 |
| D-Lysopine | 0.9904 | NA | 0.9989 | 0.9952 | 1.0120 |
| Dodecylbenzenesulfonic acid | 1.0182 | NA | 0.9859 | 0.9729 | 1.0210 |
| Doxepin | 1.0502 | NA | 0.9981 | 0.9089 | 1.0858 |
| D-Prephenyllactate | 0.9478 | NA | 1.1391 | 1.0341 | 0.9177 |
| D-Quinovose | 1.0063 | NA | 1.0034 | 1.0224 | 1.0077 |
| (E)-2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-propan-2-ylcyclohex-2-en-1-yl]prop-2-enoic acid | 1.0996 | NA | 1.0390 | 1.0031 | 1.0419 |
| Efavirenz | 0.7382 | NA | 1.1933 | 1.7290 | NA |
| Elloramycin A | 0.8763 | NA | 0.8948 | 0.9909 | 1.1633 |
| Emetamine | 0.6214 | NA | 1.2643 | NA | 1.2404 |
| Endothion | 1.0179 | NA | 0.9689 | 1.0351 | 0.9838 |
| Estrone 3-sulfate | 0.7465 | NA | 0.7120 | 0.8474 | 0.7408 |
| Ethyl 3-oxohexanoate | 0.9022 | NA | 1.0313 | NA | 1.0508 |
| ETHYLMALONIC ACID | 1.0003 | NA | 1.3404 | 0.8257 | 0.8573 |
| Etomidate | 0.5765 | NA | 1.6561 | NA | 0.8311 |
| Fenbendazole S-oxide | 1.0399 | NA | 1.0230 | 0.9653 | 0.9955 |
| Flavanone 7-O-beta-D-glucoside | 0.9975 | NA | 0.9812 | 0.9784 | 0.9908 |
| Flurochloridone | 0.9930 | NA | 0.9946 | 1.0392 | 0.9760 |
| Fluroxypyr | 0.9395 | NA | 1.3016 | 0.7501 | 0.9989 |
| Flutamide | 1.0059 | NA | 0.9499 | 0.9797 | 1.0353 |
| Fluvalinate | 1.0681 | NA | 0.9643 | 0.9704 | 0.9437 |
| Formate | 0.9663 | NA | 1.0109 | 1.0055 | 0.9949 |
| Frutinone A | 1.0174 | NA | 1.1206 | 0.9354 | 0.9395 |
| Fulvine | 1.0002 | NA | 0.9873 | 1.0248 | 0.9877 |
| Fumarate | 0.9827 | NA | 1.2152 | 0.8201 | 0.9821 |
| gamma-Glutamylmethionine | 0.9857 | NA | 0.9985 | 1.1094 | 0.9038 |
| gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide | 1.0375 | NA | 0.9856 | 0.9859 | 1.0318 |
| Gibberellin A19 | 1.0165 | NA | 0.9815 | 1.0296 | 1.0299 |
| Glaucolide B | 0.9111 | NA | 1.0165 | 0.8431 | 0.8909 |
| Glucobrassicin | NA | NA | 0.9680 | 0.9970 | 1.0350 |
| Glucocochlearin | 1.0225 | NA | NA | 0.9415 | 1.0180 |
| Glutathione (oxidized) | 0.9803 | NA | 0.9388 | 0.9980 | 1.0682 |
| Glycerone | 1.1343 | NA | 1.1023 | 0.9086 | 0.8547 |
| Gonyautoxin 8 | 1.0020 | NA | 1.0124 | 1.0445 | 0.9498 |
| Grepafloxacin | NA | NA | 0.6304 | 0.7599 | NA |
| Griseofulvin | 0.9347 | NA | 1.0592 | 1.0291 | 0.9520 |
| Guanosine | 0.9841 | NA | 0.9348 | 0.7886 | 1.2484 |
| Guanosine 5^-monophosphate | 0.9646 | NA | 0.9659 | 0.9795 | 1.0721 |
| GW1843 | 0.8980 | NA | 1.0095 | 0.9296 | 1.1264 |
| Halomon | 1.0947 | NA | NA | 1.1066 | 0.7928 |
| Harmalol | 0.6687 | NA | 1.2229 | NA | 0.9880 |
| Harmine | 1.0548 | NA | 0.9954 | 0.9511 | 1.0067 |
| Hedamycin | 0.9225 | NA | 0.8932 | 0.8234 | 0.9009 |
| Hesperetin | 1.0247 | NA | 0.9499 | 1.0098 | 1.0169 |
| Hexadecanedioic acid | 0.9496 | NA | 1.0942 | 1.0593 | 1.1547 |
| Hexanoic acid | 1.0576 | NA | 1.0238 | 1.0006 | 0.9971 |
| Hippeastrine | NA | NA | 0.8211 | 1.0411 | 0.9735 |
| Hippurate | 0.9801 | NA | 2.0536 | 0.7190 | 0.2440 |
| Homatropine | 0.9986 | NA | 0.9751 | 1.0041 | 1.0189 |
| Homovanillic acid | 0.9817 | NA | 1.0521 | 1.1501 | 0.8398 |
| Hycanthone mesylate | 0.9632 | NA | 0.9042 | 0.7581 | 1.3020 |
| Hymenoxon | 0.5401 | NA | NA | 1.3832 | NA |
| Hypoxanthine | 1.0087 | NA | 0.9324 | 0.9488 | 1.0956 |
| Ichthyotherol | 0.9505 | NA | 0.9310 | 1.1490 | 0.9881 |
| IDP | 1.0391 | NA | 0.9867 | 0.9747 | 1.0051 |
| Imidazol-5-yl-pyruvate | 0.9167 | NA | 1.0928 | 1.1021 | 1.1815 |
| IMP | 0.5552 | NA | 1.3621 | 0.8383 | 0.9608 |
| Indole | 0.9878 | NA | 1.0676 | 0.9660 | 0.9767 |
| Indoxyl sulfate | 0.9922 | NA | 1.3090 | 0.8783 | 0.8450 |
| Inosine | 1.0202 | NA | 0.4915 | 1.2016 | 1.2486 |
| Ipolamiide | 1.0249 | NA | 0.9982 | 1.0190 | 0.9968 |
| IPSP | 1.0109 | NA | 0.9927 | 0.9984 | 0.9998 |
| Isobutrin | 0.9771 | NA | 1.1677 | 0.8568 | 0.9708 |
| isoimperatorin | 0.9937 | NA | 0.7717 | 1.3194 | 0.9264 |
| Isoprothiolane sulfoxide | 0.8147 | NA | 0.7457 | 1.0862 | 1.0560 |
| Isorhynchophylline | 1.0283 | NA | 1.0139 | 1.0000 | 1.0343 |
| Isoscoparine | 0.9558 | NA | 0.9263 | 0.9653 | 0.9547 |
| Isotan B | 1.0394 | NA | 1.0199 | 0.9882 | 0.9898 |
| Ketamine | 0.9524 | NA | 1.0045 | 1.0095 | 0.9948 |
| Khellin | 1.0116 | NA | 0.9641 | 1.0209 | 1.0046 |
| Kinetin | 0.9032 | NA | 1.2076 | 0.6782 | 1.0876 |
| L-2-Aminoadipate | 0.9902 | NA | 1.2736 | 0.7684 | 0.9710 |
| L-5-Oxoproline | 1.1326 | NA | 1.0930 | 1.2171 | 1.0595 |
| L791456 | 0.9452 | NA | 1.0000 | 0.9960 | 1.0301 |
| Lacinilene C 7-methyl ether | 1.0474 | NA | 0.9732 | 1.1518 | 0.8590 |
| Landomycin J | 0.9409 | NA | 1.0324 | 1.0299 | 0.9679 |
| L-Arogenate | NA | NA | 1.1256 | 0.8251 | 0.9729 |
| L-Asparagine | 0.9562 | NA | 1.3427 | 0.9510 | 0.8284 |
| L-Aspartate 4-semialdehyde | 1.0003 | NA | 1.2071 | 0.6637 | 1.1106 |
| L-beta-Homotyrosine | 1.0129 | NA | 1.0065 | 1.0046 | 1.0038 |
| L-Djenkolic acid | 0.9773 | NA | 0.9208 | 1.1263 | 1.0218 |
| Lead | 0.9471 | NA | 1.0729 | 1.0367 | 1.0263 |
| L-Fuculose 1-phosphate | 0.9931 | NA | 0.8363 | 1.2066 | 0.9682 |
| L-Glutamate | 0.9311 | NA | 1.0019 | 1.0077 | 0.9475 |
| L-Glutamine | 1.0190 | NA | 0.8343 | 1.1554 | 0.9953 |
| L-Histidine | 0.9980 | NA | 1.0603 | 0.9907 | 0.9808 |
| L-Homocystine | 1.0032 | NA | 1.0059 | 1.0324 | 0.9703 |
| Lilaline | 1.0248 | NA | 1.2245 | 0.6430 | 1.0959 |
| L-Kynurenine | 1.0538 | NA | 0.9643 | 1.0067 | 1.0427 |
| LL-2,6-Diaminoheptanedioate | 1.0016 | NA | 0.9903 | 1.0045 | 1.0033 |
| L-Lysine | 0.9340 | NA | 0.9559 | 1.0742 | 0.9988 |
| L-Methionine | 0.8892 | NA | 1.0425 | 1.0661 | 1.0682 |
| Loracarbef monohydrate | NA | NA | 1.0460 | 0.9540 | NA |
| LPC 16:0 | 0.8992 | NA | 0.6392 | 1.2700 | 1.1498 |
| LPC 18:1 | NA | NA | 1.0255 | 0.7254 | 1.0498 |
| LPC 18:2 | 0.9460 | NA | 0.5548 | 1.5042 | 0.9880 |
| L-Threonine | 1.0367 | NA | 1.0656 | 0.9263 | 0.9807 |
| L-Tryptophanamide | 0.8064 | NA | 0.9818 | 1.0487 | 1.0656 |
| L-Valine | 1.0085 | NA | 0.8877 | 1.1801 | 0.9358 |
| Lycodine | 0.8184 | NA | 0.7951 | 1.2825 | 1.0633 |
| Macarpine | 0.9021 | NA | 0.8108 | 1.1967 | 0.7793 |
| Maculine | 1.0642 | NA | 1.2977 | 0.7321 | 0.9286 |
| Mafenide | 0.9893 | NA | 1.0130 | 1.1360 | 0.9225 |
| Magnesium salicylate | 1.0272 | NA | 0.9777 | 1.0154 | 1.0096 |
| Mallotinic acid | 1.0433 | NA | 0.9563 | 0.9807 | 1.0085 |
| Mannomustine dihydrochloride | 0.7166 | NA | 0.8413 | 1.0142 | 0.9763 |
| (+)-Medicarpin | NA | NA | 0.9011 | 0.9242 | 0.9482 |
| Melampodin A | 1.0503 | NA | 1.0356 | 0.9759 | 0.9652 |
| Melicopicine | 0.8908 | NA | 0.7715 | 1.4058 | 0.7593 |
| Melicopine | 0.9833 | NA | 0.8298 | 0.6439 | 1.4631 |
| Mepanipyrim | 0.9349 | NA | 1.1884 | 0.8316 | 1.0293 |
| Mercaptoacetyl-Phe-Leu | 1.1264 | NA | 0.8705 | 1.1798 | 0.8666 |
| Methaqualone | 1.0452 | NA | 1.0392 | 1.0707 | 1.0992 |
| Methdilazine | 1.0293 | NA | 1.0260 | 0.9919 | 1.0522 |
| Methitural | 1.0017 | NA | 1.1154 | 0.9160 | 0.9719 |
| Methoxybrassinin | 0.6770 | NA | 1.3144 | 0.9905 | 0.9088 |
| Methylselenocysteine Se-oxide | 1.0068 | NA | 1.0076 | 1.0014 | 0.9918 |
| Methylsuccinic acid | 1.0216 | NA | 1.0707 | 0.8939 | 1.0150 |
| Metrifonate | 1.1332 | NA | 0.9353 | 1.1884 | 1.1245 |
| Metyrapone | 0.7250 | NA | 1.2364 | 1.4246 | 0.7682 |
| Microcystin YR | NA | NA | 0.8374 | 1.0683 | 0.9403 |
| Microhelenin C | NA | NA | 0.7955 | 0.8736 | 1.1460 |
| Mitobronitol | 1.0082 | NA | 1.0325 | 0.9656 | 1.0015 |
| Molybdopterin guanine dinucleotide | 1.0163 | NA | 0.9212 | 1.1551 | 0.9359 |
| Monomethyl sulfate | 0.6669 | NA | 1.3775 | 0.7977 | 1.4882 |
| Musca-aurin-II | 1.0012 | NA | 1.0272 | 1.0890 | 1.0293 |
| Mycophenolic Acid | 0.6176 | NA | 1.8695 | 0.2497 | 0.4382 |
| N-(2,3-Dihydroxybenzoyl)-L-serine | 0.9896 | NA | 1.0078 | 1.0617 | 0.9479 |
| N-3-Hydroxyoctanoyl-L-homoserine lactone | 0.9514 | NA | 1.7479 | 0.6309 | 0.7101 |
| N-(4-Coumaroyl)-L-homoserine lactone | 0.9952 | NA | 0.9629 | 1.0216 | 1.0166 |
| N6-(L-1,3-Dicarboxypropyl)-L-lysine | 0.9210 | NA | 0.9996 | 1.0984 | 0.9724 |
| N-Acetyl-D-glucosamine 6-phosphate | 1.0239 | NA | 0.9301 | 1.0988 | 0.9582 |
| N-Acetyl-D-tryptophan | 0.9288 | NA | 0.9690 | 0.9803 | 1.1601 |
| N-Acetyl-L-aspartate | 0.9831 | NA | 1.0655 | 0.9181 | 1.0262 |
| N-Acetyl-L-glutamate | 0.9659 | NA | 1.1694 | 1.0905 | 0.8015 |
| N-Acetyl-L-phenylalanine | 0.9881 | NA | 0.9847 | 1.0984 | 0.9372 |
| N-Acetylmethionine | 0.9682 | NA | 0.9854 | 1.2130 | 0.8527 |
| N-Acetylphenylalanine beta-naphthyl ester | 0.9464 | NA | 1.2794 | 0.8309 | 0.8873 |
| N-Acetylserotonin | 0.7178 | NA | 1.2887 | 0.8773 | 0.9338 |
| Nagilactone C | 1.0042 | NA | 1.0042 | 1.0059 | 1.0098 |
| N-Benzoyl-4-hydroxyanthranilate | 0.9809 | NA | 1.1700 | 0.8371 | 1.0075 |
| Nebularine | 0.9942 | NA | 0.8956 | 1.0394 | 1.0554 |
| Nepodin | 1.0290 | NA | 1.0578 | 0.9782 | 0.9567 |
| N-Formylmethionine | 0.9739 | NA | 1.1313 | 0.9885 | 0.9419 |
| N-Fructosyl isoleucine | 0.9902 | NA | 0.8797 | 1.2379 | 0.9062 |
| Nicotinate D-ribonucleotide | 0.9956 | NA | 1.0584 | 1.0600 | 0.9017 |
| Nidificene | 1.0117 | NA | 1.0400 | 0.9760 | 1.0163 |
| Nimustine hydrochloride | 1.0259 | NA | 0.9614 | 0.9774 | 1.0081 |
| N-Isobutyrylglycine | 0.9855 | NA | 1.4124 | 0.6466 | 0.9597 |
| Nisoldipine | 1.0735 | NA | 0.9506 | 0.9869 | 0.9838 |
| N-Isovalerylglycine | 0.9894 | NA | 1.4579 | 0.8068 | 0.7807 |
| Nitazoxanide | 1.0219 | NA | 0.9983 | 1.0235 | 1.0196 |
| N-Methyltryptamine | 2.2623 | NA | 0.6541 | 0.7003 | 0.6517 |
| N-Octanoyl-L-homoserine lactone | 0.6463 | NA | 1.3279 | 0.8199 | 0.9810 |
| Nordazepam | 0.9903 | NA | 1.1554 | 0.9269 | 0.9365 |
| Norethindrone acetate | 1.0593 | NA | 0.9068 | 0.9838 | 0.9404 |
| Norfloxacin | 1.0021 | NA | 0.9481 | 1.0362 | 1.0119 |
| Norleucine | 1.0464 | NA | 0.8715 | 1.0860 | 1.0038 |
| N-(p-Hydroxyphenethyl)actinidine | 1.0223 | NA | 0.9269 | 1.0012 | 1.0458 |
| NS 1619 | 1.0102 | NA | 0.9422 | 1.0866 | 0.9631 |
| Oblongolide | 0.8896 | NA | 0.9915 | 0.9754 | 1.0717 |
| Odoratol | 0.9798 | NA | 0.9718 | 1.0206 | 1.0210 |
| O-Feruloylgalactarate | 0.9639 | NA | 0.8974 | 1.0226 | 0.9802 |
| Ononin | 1.0154 | NA | 0.9758 | 0.9993 | 0.9856 |
| Orotate | NA | NA | 0.9195 | 1.2471 | 1.1555 |
| Orthophosphate | 0.3507 | NA | 0.2826 | 0.3779 | 0.4324 |
| Ostruthin | 1.0069 | NA | 0.9897 | 0.9977 | 1.0122 |
| O-Succinyl-L-homoserine | 0.8837 | NA | 1.0568 | 1.0666 | 0.8793 |
| Oxaloacetate | 0.8733 | NA | NA | 1.0045 | 1.0565 |
| Oxaloglutarate | 0.9743 | NA | 0.9863 | 1.0313 | 1.0033 |
| Oxandrolone | 0.9833 | NA | 0.9868 | 0.9985 | 0.9187 |
| Oxidized Photinus luciferin | 1.0408 | NA | 0.9951 | 0.9638 | 1.0060 |
| Oxydisulfoton | 0.8920 | NA | 1.4010 | 0.7146 | 0.9372 |
| Oxyphencyclimine | 1.0214 | NA | 0.9591 | 1.0295 | 1.0105 |
| Oxypurinol | 1.0396 | NA | 0.5957 | 1.2757 | 1.0820 |
| Oxytetracycline hydrochloride | 0.9701 | NA | 1.2371 | 1.0330 | 0.7658 |
| Paeoniflorigenone | 0.9962 | NA | 1.0003 | 1.0304 | 0.9822 |
| Pantothenic acid | 1.0001 | NA | 0.7611 | 1.4080 | 0.8550 |
| Paramethadione | 0.8925 | NA | 1.4181 | 0.7343 | 0.8485 |
| p-Cymene | 0.7991 | NA | 1.3302 | 0.8561 | 0.9571 |
| Penicillenic acid | 1.0736 | NA | 0.9709 | 1.0621 | 0.9192 |
| Penicillin G | 0.9769 | NA | 0.9132 | 1.1557 | 0.9574 |
| Peonidin 3-O-glucoside | 0.9639 | NA | 0.9418 | 0.9595 | 0.9560 |
| Pergolide | 1.0378 | NA | 0.9626 | 1.0857 | 0.9836 |
| Phaseollidin hydrate | 0.9937 | NA | 0.9891 | 1.0468 | 0.9833 |
| PHENATURIC ACID | 0.9874 | NA | 1.2670 | 0.8695 | 0.8920 |
| Phenol | 1.0204 | NA | 0.9679 | 1.0152 | 0.9999 |
| Phenolphthalin | 0.9738 | NA | 0.8962 | 0.9499 | 0.9486 |
| Phenylacetylglutamine | NA | NA | 1.0318 | 0.8678 | 1.0010 |
| Phenylalanine | 1.0577 | NA | 0.9139 | 1.1466 | 0.9069 |
| Phenylbutazone | 0.8149 | NA | 1.3680 | 1.1498 | 0.5924 |
| Phenylmercury acetate | 1.0588 | NA | 0.9164 | 1.1079 | 0.9372 |
| Phloretin | 0.7547 | NA | 1.2243 | 1.0813 | 0.8376 |
| Pimelate | 1.1116 | NA | 1.0764 | 0.9146 | 0.9906 |
| Plantamajoside | 0.9842 | NA | 1.0557 | 0.9337 | 1.0124 |
| Poncirin | 0.9742 | NA | 0.9843 | 0.9421 | 0.9562 |
| Potassium sulfate | 1.0199 | NA | 0.9616 | 0.9901 | 1.0370 |
| Premithramycinone | 1.0103 | NA | 0.8784 | 1.3247 | 0.7883 |
| Probenazole | 0.8996 | NA | 1.5529 | 0.9694 | 0.6197 |
| Prolyl-2-naphthylamide | 1.0086 | NA | 1.0352 | 0.9678 | 1.1623 |
| Promazine | 1.0187 | NA | 0.9791 | 1.0117 | 0.9915 |
| Propanoate | 0.9238 | NA | 1.0633 | 0.9419 | 1.0813 |
| Proparacaine | 1.0289 | NA | 1.0205 | 1.0169 | 1.0125 |
| Prostaglandin F2alpha | 0.9395 | NA | 1.0968 | 0.9706 | 1.1123 |
| Pseudaminic acid | 0.9454 | NA | 0.9818 | 0.9707 | 1.0108 |
| Psilocybin | 1.0110 | NA | 1.1909 | 1.0962 | 0.7460 |
| Pyocyanine | 0.6380 | NA | 1.0716 | 0.6555 | 1.2271 |
| Pyraclofos | 0.9427 | NA | 1.1237 | 1.0059 | 0.9298 |
| Pyrazofurin | 0.9749 | NA | 1.0507 | 1.0166 | 0.9434 |
| Pyrazosulfuron | 1.0085 | NA | 0.9605 | 1.0358 | 0.9858 |
| Pyrene-4,5-dione | 0.9922 | NA | 1.1850 | 0.9505 | 0.8723 |
| Pyridaben | 0.9690 | NA | 1.0767 | 1.0180 | 0.9821 |
| Pyrimidine 5^-deoxynucleotide | 1.0076 | NA | 0.9820 | 1.0254 | 0.9881 |
| Pyrimidine 5^-nucleotide | 1.0179 | NA | 0.9946 | 0.9772 | 0.9861 |
| Pyruvate | 0.9819 | NA | 0.9329 | 1.1617 | 0.9318 |
| Quercetin | 0.9845 | NA | 1.0832 | 1.0150 | 0.9147 |
| Quercetin 3-O-glucoside | 0.7230 | NA | 0.6924 | 0.8912 | 0.7565 |
| Quinolinate | 0.9745 | NA | 1.0937 | 0.9686 | 0.9649 |
| (R)-4^-Phosphopantothenoyl-L-cysteine | 0.8795 | NA | 0.9692 | 1.2234 | 0.8593 |
| Radon-222 | 1.0610 | NA | 0.8659 | 1.0383 | 1.0385 |
| Red chlorophyll catabolite | 0.8950 | NA | 0.9614 | 0.9958 | 1.0442 |
| Reduced riboflavin | NA | NA | 0.8518 | 1.0501 | 1.1461 |
| Repaglinide | 0.5164 | NA | 1.3843 | NA | 0.9430 |
| Rotenone | 0.9242 | NA | 0.9535 | 0.9564 | 0.9115 |
| Rubidium hydroxide | 0.9814 | NA | 0.9596 | 0.9908 | 0.9696 |
| rutamarin | 1.0336 | NA | 0.9546 | 1.0391 | 1.0223 |
| S-(1,2-Dichlorovinyl)-L-cysteine | 0.9878 | NA | 1.0478 | 0.9967 | 0.9813 |
| S-Adenosyl-L-homocysteine | 0.9800 | NA | 0.8759 | 1.3005 | 0.8630 |
| Sakuranin | 0.5096 | NA | 1.1381 | NA | 1.2875 |
| S-Decyl GSH | 0.7814 | NA | 0.8692 | 1.1604 | 1.0290 |
| (S)-Dihydroorotate | 0.9665 | NA | 1.2148 | 0.8092 | 1.0034 |
| Sebacic acid | 0.9255 | NA | 1.1510 | 1.0923 | 0.7890 |
| Secogalioside | 1.1506 | NA | 0.7405 | 1.0660 | 0.9108 |
| Sedoheptulose 7-phosphate | 1.0590 | NA | 1.0923 | 1.0264 | 0.9079 |
| Selagine | 1.0929 | NA | 0.9297 | 0.9845 | 1.0072 |
| Selenohomocystine | 0.8743 | NA | 1.0251 | NA | NA |
| Se-Methyl-L-selenocysteine | 0.9803 | NA | 0.9248 | 1.0257 | 1.0601 |
| Sesartemin | 0.9887 | NA | 1.0783 | 1.0164 | 0.9269 |
| S-Glutathionyl-L-cysteine | 0.9781 | NA | 0.9887 | 1.0287 | 1.0007 |
| Sinapic acid | 1.0264 | NA | 0.9871 | 1.0288 | 1.0230 |
| Sinapine | 1.2282 | NA | 1.0568 | 0.7289 | 1.0207 |
| (S)-MALATE | 0.9993 | NA | 1.1466 | 0.8614 | 0.9937 |
| S-Methyl-5-thio-D-ribose 1-phosphate | 1.0824 | NA | 1.3645 | 0.7552 | 0.7738 |
| S-Methyl-L-methionine | 1.0179 | NA | 1.0270 | 1.0331 | 1.0293 |
| (S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]glycine benzyl ester | 0.9899 | NA | 1.3435 | 1.0069 | 0.8773 |
| sn-Glycero-3-phosphocholine | 0.9983 | NA | 1.2212 | 0.8859 | 0.9094 |
| sn-Glycerol 3-phosphate | 0.7798 | NA | 0.9516 | 1.1219 | 1.0124 |
| Sodium chlorate | 1.0249 | NA | 1.0017 | 1.0128 | 1.0142 |
| Sodium hexafluorosilicate | 1.0350 | NA | 0.8106 | 1.0875 | 1.0624 |
| Sphinganine 1-phosphate | 0.7384 | NA | 0.7972 | 1.4465 | 0.8911 |
| Sphingosine-1-phosphate | 0.8202 | NA | 0.7042 | 1.2969 | 1.1274 |
| Stanozolol | 0.6789 | NA | 1.1627 | NA | 0.9165 |
| Staphyloferrin B | 1.0343 | NA | 0.9840 | 1.0117 | 1.0070 |
| (Stearoyl)adenylate | 0.7854 | NA | 1.1188 | 1.1149 | 1.0529 |
| Streptamine | 1.0267 | NA | 1.0464 | 1.0724 | 1.0405 |
| Streptidine | 0.9703 | NA | 0.9845 | 0.8795 | 0.9866 |
| Streptonigrin | 0.8887 | NA | 1.0525 | 0.7698 | 0.8842 |
| SUBERIC ACID | 1.0916 | NA | 1.0976 | 0.9324 | 1.0151 |
| Succinic acid | 1.1305 | NA | 1.1260 | 1.1889 | 1.0622 |
| Sulfamethizole | 1.0081 | NA | 0.9656 | 0.9598 | 1.0568 |
| Sulfasalazine | 0.9962 | NA | 1.0444 | 1.0169 | 0.9451 |
| Sulindac | 1.0281 | NA | 1.0452 | 0.9343 | 0.9976 |
| Sulochrin | 1.0024 | NA | 1.0217 | 1.0375 | 0.9807 |
| Suprofen | 0.8747 | NA | 0.8440 | 1.0549 | 1.2419 |
| Taurine | 1.0139 | NA | 0.9747 | 1.0535 | 0.9659 |
| Taurocholate | 0.9116 | NA | 1.1196 | 0.4852 | 1.5626 |
| Taurocholic acid | 0.8196 | NA | 0.7093 | 0.8807 | 1.8106 |
| Taurodeoxycholate | 0.6401 | NA | 0.8252 | 0.9513 | 3.2950 |
| Tauropine | 0.9980 | NA | 1.0471 | 0.9884 | 0.9710 |
| Tegafur | 0.9015 | NA | 0.9771 | 1.0352 | 1.0262 |
| Tetrabenazine | 0.8860 | NA | 0.5843 | 1.4326 | 0.8888 |
| Tetrahydroharmine | 1.1050 | NA | 1.0707 | 0.9912 | 1.0324 |
| Tetraneurin A | 0.8858 | NA | 0.7947 | 1.3390 | 0.9669 |
| Thiadiazin | 0.9653 | NA | 1.0173 | 0.9760 | 1.0007 |
| Thicyofen | 1.0304 | NA | 1.0167 | 0.9993 | 1.0181 |
| Thiometon | 1.0024 | NA | 0.9527 | 1.0068 | 1.0377 |
| Thiophanate-methyl | 0.9804 | NA | 1.0336 | 1.0875 | 0.9102 |
| Thymidine | 0.9927 | NA | 1.1253 | 0.9188 | 0.9674 |
| Tolylfluanid | 1.0019 | NA | 0.9561 | 1.0075 | 1.0298 |
| trans-Cinnamoyl beta-D-glucoside | 1.0251 | NA | 1.1179 | 1.1156 | 0.7819 |
| Traumatic acid | 0.6525 | NA | 1.6583 | 0.3690 | 0.6142 |
| Triadimefon | 1.0048 | NA | 0.9465 | 1.1425 | 0.9126 |
| Trichloroethanol | 1.0097 | NA | 1.0175 | 1.0115 | 1.0253 |
| Trichodermin | 0.9923 | NA | 1.0742 | 0.9608 | 0.9833 |
| Triclosan | 0.8825 | NA | 1.3047 | 0.8668 | 0.9194 |
| Trimetaphosphoric acid | 0.9666 | NA | 0.7852 | 1.0430 | 1.1110 |
| Trimethoprim | 0.6923 | NA | 1.5621 | 0.4911 | 0.7456 |
| Triphenylethylene | 0.9320 | NA | 0.7561 | 1.3293 | 0.8053 |
| Tris(2-chloroethyl)phosphate | 1.0003 | NA | 0.9898 | 0.9918 | 0.9993 |
| Tropisetron | 0.9079 | NA | 1.0673 | 1.0359 | 0.9959 |
| TRYPTOPHAN | 1.0092 | NA | 1.0617 | 1.0062 | 0.9352 |
| Tussilagine | 0.9927 | NA | 1.3405 | 0.6763 | 0.9908 |
| Tutin | 1.0012 | NA | 1.1059 | 1.1005 | 0.8222 |
| UDP-4-dehydro-6-deoxy-D-glucose | 0.9758 | NA | 0.9458 | 1.0879 | 0.9837 |
| Uric acid | 0.9885 | NA | 1.0393 | 1.0387 | 0.9413 |
| Uridine | 0.9687 | NA | 1.0352 | 1.0005 | 0.9917 |
| Verapamil | 0.6581 | NA | 1.4374 | 0.3686 | 0.9292 |
| Verruculotoxin | 1.1156 | NA | 0.9814 | 1.2159 | 0.9881 |
| Versiconal | 1.0850 | NA | 0.7880 | 1.1313 | 1.0085 |
| Volkenin | 0.9753 | NA | 0.7529 | 1.3144 | 0.9121 |
| Xanthosine | 0.9861 | NA | 0.9198 | 1.0412 | 1.0506 |
| Xanthosine 5^-phosphate | 0.9829 | NA | 1.0196 | 0.9308 | 1.0755 |
| Xylometazoline | 1.0530 | NA | 0.9540 | 0.8223 | 1.2553 |
| zinniol | 0.9783 | NA | 0.9775 | 0.9808 | 0.9934 |
Factors:
| F1 | Sample source:QC | Diet:- |
| F2 | Sample source:Serum | Diet:- |
| F3 | Sample source:Serum | Diet:HFD |
| F4 | Sample source:Serum | Diet:LFD |
| F5 | Sample source:Serum | Diet:REV |