Data for (Study ST002020)
(Analysis AN003290)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 |
|---|---|---|---|---|
| 11-dehydrocorticosterone sulfate | 0.7877 | 1.5594 | 0.6335 | 0.9872 |
| 11-ketoetiocholanolone glucuronide | 0.8064 | 1.3327 | 0.7282 | 1.1068 |
| 11-ketoetiocholanolone sulfate | 0.8888 | 1.3761 | 0.5998 | 1.1069 |
| 1,2,3-benzenetriol sulfate (1) | 0.6708 | 0.6760 | 1.0182 | 1.6177 |
| 1,2,3-benzenetriol sulfate (2) | 0.8893 | 0.8063 | 0.9850 | 1.3125 |
| 12-dehydrocholate | 0.7291 | 1.2573 | 1.0042 | 0.9946 |
| 1,3,7-trimethylurate | 0.3955 | 0.4719 | 1.8893 | 1.2591 |
| 1,3-dimethylurate | 0.6894 | 0.1331 | 2.7343 | 0.5223 |
| 1,5-anhydroglucitol (1,5-AG) | 0.8561 | 0.9653 | 0.9873 | 1.1826 |
| 16a-hydroxy DHEA 3-sulfate | 1.1727 | 1.3853 | 0.5587 | 0.8684 |
| 1,6-anhydroglucose | 0.5261 | 0.4147 | 1.2593 | 1.7880 |
| 17alpha-hydroxypregnanolone glucuronide | 1.0946 | 1.2305 | 1.0236 | 0.6579 |
| 1,7-dimethylurate | 0.4180 | 0.4192 | 1.9292 | 1.2529 |
| 1-carboxyethylisoleucine | 0.7501 | 1.0432 | 0.8957 | 1.2913 |
| 1-carboxyethylleucine | 0.8211 | 1.0035 | 0.9663 | 1.1973 |
| 1-carboxyethylphenylalanine | 0.7708 | 0.9013 | 1.0110 | 1.3047 |
| 1-carboxyethyltyrosine | 0.7743 | 0.9710 | 0.8836 | 1.3522 |
| 1-carboxyethylvaline | 0.7300 | 1.0614 | 0.8343 | 1.3502 |
| 1-kestose | 0.8462 | 1.2221 | 0.6193 | 1.2826 |
| 1-methyl-4-imidazoleacetate | 1.0245 | 1.2063 | 0.7827 | 0.9757 |
| 1-methyl-5-imidazoleacetate | 0.2301 | 0.3598 | 1.6107 | 1.7906 |
| 1-methyladenine | 1.0910 | 1.2172 | 0.6502 | 1.0273 |
| 1-methyladenosine | 0.9267 | 1.2399 | 0.7247 | 1.0894 |
| 1-methylguanidine | 0.8070 | 1.0623 | 0.7937 | 1.3148 |
| 1-methylguanine | 1.0428 | 1.2044 | 0.7194 | 1.0202 |
| 1-methylguanosine | 0.8708 | 1.2377 | 0.7884 | 1.0842 |
| 1-methylhistamine | 0.8229 | 1.2141 | 0.7323 | 1.2060 |
| 1-methylhistidine | 0.8162 | 0.9991 | 0.9167 | 1.2531 |
| 1-methylhypoxanthine | 1.2224 | 1.1405 | 0.6984 | 0.9343 |
| 1-methylnicotinamide | 1.3226 | 1.0758 | 0.7529 | 0.8529 |
| 1-methylurate | 0.4755 | 0.7947 | 1.5006 | 1.2279 |
| 1-methylxanthine | 0.5264 | 0.5070 | 2.1607 | 0.8441 |
| 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) | 0.2242 | 2.7009 | 0.3018 | 0.6912 |
| 1-palmitoylglycerol (16:0) | 0.8699 | 1.3963 | 0.4718 | 1.2255 |
| 1-ribosyl-imidazoleacetate* | 1.3032 | 1.1430 | 0.7144 | 0.8404 |
| 21-hydroxypregnenolone disulfate | 0.9190 | 1.3847 | 0.6451 | 1.0270 |
| 2,3-dihydroxy-2-methylbutyrate | 0.6638 | 1.1584 | 0.6689 | 1.4718 |
| 2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)* | 0.8784 | 1.4178 | 0.7609 | 0.9228 |
| 2,3-dihydroxyisovalerate | 0.2522 | 0.4940 | 1.7252 | 1.5274 |
| 2,3-dihydroxypyridine | 0.8885 | 0.9045 | 1.3581 | 0.8626 |
| 2,3-dimethylsuccinate | 0.8837 | 1.4237 | 0.5596 | 1.1020 |
| 2,4,6-trihydroxybenzoate | 0.8918 | 0.8487 | 1.2023 | 1.0624 |
| (2,4 or 2,5)-dimethylphenol sulfate | 0.5329 | 0.8050 | 1.0891 | 1.5520 |
| 2,6-dihydroxybenzoic acid | 0.9453 | 1.3797 | 0.6091 | 1.0411 |
| 2,8-quinolinediol sulfate | 0.4213 | 0.4468 | 1.3038 | 1.8129 |
| 2-acetamidophenol sulfate | 0.7609 | 1.9708 | 0.5214 | 0.7070 |
| 2-aminoadipate | 0.8637 | 0.9094 | 1.1678 | 1.0609 |
| 2-aminooctanoate | 0.9599 | 1.0630 | 0.8483 | 1.1181 |
| 2-aminophenol sulfate | 0.8287 | 1.8396 | 0.4989 | 0.7955 |
| 2-butenoylglycine | 1.1300 | 1.0968 | 0.7224 | 1.0426 |
| 2^-deoxyadenosine | 1.0493 | 0.9134 | 1.3695 | 0.6911 |
| 2^-deoxyguanosine | 0.7789 | 1.3974 | 0.6639 | 1.1288 |
| 2-ethylphenylsulfate | 0.3820 | 0.8559 | 0.8343 | 1.8842 |
| 2-furoylcarnitine | 0.4217 | 0.8887 | 1.0448 | 1.6153 |
| 2-hydroxy-3-methylvalerate | 1.5173 | 0.9617 | 0.7761 | 0.7612 |
| 2-hydroxyacetaminophen sulfate* | 2.3247 | 0.6998 | 0.7227 | 0.3110 |
| 2-hydroxyadipate | 0.7684 | 1.0234 | 0.8146 | 1.3704 |
| 2-hydroxybutyrate/2-hydroxyisobutyrate | 0.9414 | 1.3505 | 0.6413 | 1.0436 |
| 2-hydroxyglutarate | 0.9540 | 1.1951 | 0.7616 | 1.0735 |
| 2-hydroxyhippurate (salicylurate) | 0.5750 | 1.0873 | 0.6540 | 1.6408 |
| 2-hydroxyibuprofen | 1.8045 | 1.2296 | 0.4894 | 0.4928 |
| 2-hydroxyoctanoate | 0.8373 | 1.3259 | 0.6560 | 1.1526 |
| 2-hydroxyphenylacetate | 0.9393 | 1.3138 | 0.6879 | 1.0382 |
| 2-isopropylmalate | 0.5526 | 0.6631 | 1.1533 | 1.6147 |
| 2-keto-3-deoxy-gluconate | 0.8343 | 1.0863 | 0.7303 | 1.3248 |
| 2-ketogluconate | 0.6730 | 1.0069 | 0.8970 | 1.3992 |
| 2-methoxyacetaminophen glucuronide* | 2.5111 | 0.9477 | 0.4064 | 0.1858 |
| 2-methoxyacetaminophen sulfate* | 3.7041 | 0.0759 | 0.3087 | 0.0230 |
| 2-methoxyresorcinol sulfate | 0.7439 | 0.7162 | 0.8767 | 1.6421 |
| 2-methylbutyrylcarnitine (C5) | 0.6031 | 0.9560 | 0.9316 | 1.4835 |
| 2-methylbutyrylglycine (C5) | 0.7828 | 1.1509 | 0.8610 | 1.1855 |
| 2-methylcitrate | 1.1406 | 1.0102 | 0.8594 | 0.9898 |
| 2-methylmalonylcarnitine (C4-DC) | 0.9814 | 1.1540 | 0.7766 | 1.0745 |
| 2-methylserine | 0.9687 | 1.0801 | 0.8545 | 1.0868 |
| 2-naphthol sulfate | 0.7777 | 1.4573 | 0.3868 | 1.3318 |
| 2-octenoylglutamine | 1.0597 | 1.3434 | 0.7073 | 0.8766 |
| 2^-O-methylcytidine | 1.0657 | 1.0884 | 0.7391 | 1.0960 |
| 2^-O-methyluridine | 0.7561 | 1.2554 | 0.7659 | 1.1961 |
| 2-oxindole-3-acetate | 1.4001 | 1.0954 | 0.6006 | 0.9040 |
| 2-oxo-1-pyrrolidinepropionate | 1.5054 | 1.4901 | 0.3462 | 0.6501 |
| 2-oxoadipate | 0.7841 | 1.2463 | 0.9468 | 1.0078 |
| 2-oxoarginine* | 0.9966 | 1.4684 | 0.6980 | 0.8199 |
| 2-piperidinone | 0.7709 | 1.0505 | 0.8819 | 1.2774 |
| 2-pyrrolidinone | 0.9679 | 1.1871 | 0.7787 | 1.0523 |
| 2S,3R-dihydroxybutyrate | 0.9911 | 1.0546 | 0.8000 | 1.1427 |
| 3-(3-amino-3-carboxypropyl)uridine* | 0.9115 | 1.2308 | 0.7815 | 1.0592 |
| 3-(3-hydroxyphenyl)propionate | 0.6472 | 1.0401 | 0.8225 | 1.4608 |
| 3-(3-hydroxyphenyl)propionate sulfate | 0.7635 | 0.8252 | 0.9339 | 1.4606 |
| 3,4-dihydroxybutyrate | 1.0614 | 1.1248 | 0.7603 | 1.0436 |
| 3,4-dihydroxyphenylacetate | 0.5564 | 0.9086 | 0.6102 | 1.8785 |
| 3,4-dihydroxyphenylacetate sulfate | 0.5794 | 0.7635 | 0.7022 | 1.9150 |
| 3-(4-hydroxyphenyl)lactate (HPLA) | 1.2659 | 0.7829 | 1.1425 | 0.8313 |
| 3,5-dihydroxybenzoic acid | 0.9762 | 1.7354 | 0.4616 | 0.7956 |
| 3,7-dimethylurate | 0.1761 | 0.3337 | 1.6862 | 1.7964 |
| 3-acetylphenol | 0.7305 | 0.8139 | 0.7604 | 1.6669 |
| 3-acetylphenol sulfate | 0.5224 | 0.6817 | 0.8649 | 1.8969 |
| 3alpha,21-dihydroxy-5beta-pregnane-11,20-dione 21-glucuronide | 0.9866 | 1.3057 | 0.6469 | 1.0404 |
| 3-amino-2-piperidone | 0.9673 | 1.2292 | 0.8042 | 0.9867 |
| 3-aminoisobutyrate | 0.7458 | 1.1847 | 0.5010 | 1.5266 |
| 3^-a-sialyl-N-acetyllactosamine | 1.0311 | 1.0502 | 0.9325 | 0.9841 |
| 3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP) | 1.0787 | 1.2532 | 0.9270 | 0.7413 |
| 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) | 1.2481 | 1.0519 | 1.0615 | 0.6557 |
| 3-(cystein-S-yl)acetaminophen* | 3.4071 | 0.3018 | 0.2399 | 0.1427 |
| 3-ethylcatechol sulfate (1) | 0.4370 | 0.6045 | 0.5240 | 2.3768 |
| 3-formylindole | 1.1882 | 1.2469 | 0.6791 | 0.8785 |
| 3-heptenoylglutamine | 1.2221 | 1.0743 | 0.8056 | 0.8994 |
| 3-hydroxy-2-ethylpropionate | 1.0863 | 1.1561 | 0.6829 | 1.0619 |
| 3-hydroxy-3-methylglutarate | 0.8967 | 1.1770 | 0.8318 | 1.0794 |
| 3-hydroxyadipate* | 1.0488 | 1.0142 | 0.7328 | 1.1921 |
| 3-hydroxyanthranilate | 0.9962 | 1.2258 | 0.8617 | 0.9084 |
| 3-hydroxybutyrate (BHBA) | 1.0071 | 0.4306 | 0.2826 | 2.2401 |
| 3-hydroxybutyroylglycine | 1.1264 | 1.0607 | 0.7221 | 1.0825 |
| 3-hydroxycinnamate | 0.6814 | 1.4071 | 0.4725 | 1.3920 |
| 3-hydroxycinnamate sulfate | 1.0400 | 0.9605 | 0.7677 | 1.2211 |
| 3-hydroxydodecanedioate* | 1.0644 | 1.2151 | 0.5047 | 1.1919 |
| 3-hydroxyhexanoate | 1.2603 | 1.3636 | 0.6481 | 0.7229 |
| 3-hydroxyhexanoylcarnitine (1) | 0.9426 | 1.0317 | 0.8895 | 1.1269 |
| 3-hydroxyhippurate | 0.8461 | 0.9399 | 0.8004 | 1.3940 |
| 3-hydroxyhippurate sulfate | 0.9010 | 0.6702 | 1.0482 | 1.3778 |
| 3-hydroxyindolin-2-one | 0.9557 | 0.8026 | 0.9761 | 1.2618 |
| 3-hydroxyindolin-2-one sulfate | 0.8038 | 1.0027 | 1.0523 | 1.1332 |
| 3-hydroxyisobutyrate | 0.9717 | 1.0360 | 0.8251 | 1.1559 |
| 3-hydroxykynurenine | 0.9868 | 1.1021 | 0.8281 | 1.0728 |
| 3-hydroxyphenylacetate | 0.7375 | 1.0220 | 0.8798 | 1.3394 |
| 3-hydroxyphenylacetate sulfate | 0.5920 | 0.9571 | 0.8755 | 1.5458 |
| 3-hydroxyphenylacetatoylcarnitine | 0.3583 | 0.3361 | 1.7391 | 1.5719 |
| 3-hydroxyphenylacetoylglutamine | 0.5919 | 0.9211 | 0.9084 | 1.5508 |
| 3-hydroxyproline | 1.3336 | 0.9810 | 0.9224 | 0.7771 |
| 3-hydroxypyridine sulfate | 0.6167 | 0.6929 | 1.4685 | 1.2265 |
| 3-hydroxysebacate | 1.1981 | 1.0725 | 0.6200 | 1.0992 |
| 3-hydroxystachydrine* | 0.9506 | 1.1432 | 0.6026 | 1.2788 |
| 3-hydroxysuberate | 1.0725 | 1.0611 | 0.6874 | 1.1657 |
| 3-indoxyl sulfate | 0.9387 | 1.0476 | 0.9671 | 1.0414 |
| 3-methoxycatechol sulfate (1) | 1.0040 | 1.2883 | 0.6719 | 1.0178 |
| 3-methoxycatechol sulfate (2) | 0.6435 | 1.4238 | 0.7288 | 1.1691 |
| 3-methoxytyramine | 1.0692 | 1.0098 | 0.8426 | 1.0736 |
| 3-methoxytyramine sulfate | 0.9099 | 1.0714 | 0.8629 | 1.1432 |
| 3-methoxytyrosine | 0.8876 | 1.2938 | 0.6722 | 1.1219 |
| 3-methyl-2-oxobutyrate | 0.9745 | 1.2682 | 0.6859 | 1.0524 |
| 3-methyl-2-oxovalerate | 1.0501 | 1.2779 | 0.7067 | 0.9518 |
| 3-methyladipate | 0.9421 | 1.1158 | 0.8020 | 1.1259 |
| 3-methyl catechol sulfate (1) | 0.7826 | 0.4502 | 1.0058 | 1.7497 |
| 3-methyl catechol sulfate (2) | 0.4128 | 0.5611 | 0.9208 | 2.0682 |
| 3-methylcrotonylglycine | 0.8664 | 1.0058 | 1.0753 | 1.0493 |
| 3-methylcytidine | 1.0392 | 1.1902 | 0.7580 | 1.0014 |
| 3-methylglutaconate | 0.9614 | 1.1890 | 0.7258 | 1.1064 |
| 3-methylglutarate/2-methylglutarate | 1.1465 | 1.1145 | 0.7112 | 1.0199 |
| 3-methylglutarylcarnitine (2) | 0.9515 | 1.1417 | 0.7618 | 1.1291 |
| 3-methylhistidine | 0.1017 | 0.1457 | 2.1346 | 1.6311 |
| 3-(methylthio)acetaminophen sulfate* | 2.3530 | 0.7421 | 0.3025 | 0.6389 |
| 3-methylurate* | 0.0810 | 0.4402 | 0.9692 | 2.4567 |
| 3-methylxanthine | 0.1851 | 0.3232 | 1.8536 | 1.6402 |
| 3-(N-acetyl-L-cystein-S-yl) acetaminophen | 3.3430 | 0.2690 | 0.2954 | 0.1836 |
| 3-phosphoglycerate | 0.8934 | 1.1409 | 0.7332 | 1.2117 |
| 3-S-cysteinyl-2-methylpropanoate* | 0.9310 | 1.3972 | 0.4474 | 1.1899 |
| 3^-sialyllactose | 1.1074 | 0.9508 | 1.1139 | 0.8402 |
| 3-ureidoisobutyrate | 1.5944 | 0.9597 | 0.7483 | 0.7166 |
| 3-ureidopropionate | 0.9673 | 1.2898 | 0.6237 | 1.0964 |
| 4-acetamidobenzoate | 0.8554 | 1.3812 | 0.8712 | 0.8770 |
| 4-acetamidobutanoate | 0.9810 | 1.1721 | 0.7790 | 1.0546 |
| 4-acetamidophenol | 3.3616 | 0.2756 | 0.3139 | 0.1420 |
| 4-acetamidophenylglucuronide | 3.3522 | 0.2377 | 0.4664 | 0.0448 |
| 4-acetaminophen sulfate | 3.4693 | 0.2044 | 0.3401 | 0.0868 |
| 4-acetylcatechol sulfate (1) | 0.6141 | 1.1685 | 0.8549 | 1.3331 |
| 4-acetylcatechol sulfate (2) | 0.6110 | 1.0951 | 0.9505 | 1.3190 |
| 4-acetylphenyl sulfate | 1.4711 | 1.5598 | 0.3772 | 0.5834 |
| 4-allylphenol sulfate | 0.5142 | 0.8688 | 0.9421 | 1.6447 |
| 4-ethylcatechol sulfate | 1.1461 | 1.4887 | 0.6103 | 0.7415 |
| 4-ethylphenol glucuronide | 2.2604 | 1.2630 | 0.2694 | 0.2366 |
| 4-ethylphenyl sulfate | 1.9471 | 1.5925 | 0.2284 | 0.2418 |
| 4-guanidinobutanoate | 0.8934 | 1.4845 | 0.6455 | 0.9511 |
| 4-hydroxybenzoate | 1.0308 | 1.2867 | 0.6628 | 1.0027 |
| 4-hydroxycatechol sulfate | 0.7138 | 1.2795 | 0.6005 | 1.3681 |
| 4-hydroxycinnamate sulfate | 0.5746 | 0.7476 | 1.7666 | 0.9301 |
| 4-hydroxycoumarin | 0.9000 | 1.3430 | 1.0699 | 0.6855 |
| 4-hydroxyglutamate | 0.9329 | 0.9732 | 1.0098 | 1.0809 |
| 4-hydroxyhippurate | 1.1126 | 1.2232 | 0.6519 | 0.9992 |
| 4-hydroxymandelate | 0.8203 | 1.2424 | 0.8106 | 1.1061 |
| 4-hydroxyphenylacetate | 0.8014 | 1.0241 | 0.8451 | 1.3098 |
| 4-hydroxyphenylacetatoylcarnitine | 0.6820 | 0.9101 | 0.9272 | 1.4589 |
| 4-hydroxyphenylacetylglutamine | 0.8112 | 1.0720 | 0.8716 | 1.2276 |
| 4-hydroxyphenylpyruvate | 0.8152 | 1.1824 | 0.8262 | 1.1563 |
| 4^-hydroxypropiophenone sulfate | 0.3479 | 0.7103 | 1.5119 | 1.4220 |
| 4-imidazoleacetate | 1.1134 | 1.1196 | 0.6629 | 1.0917 |
| 4-methoxyphenol sulfate | 0.6093 | 1.4321 | 0.6864 | 1.2331 |
| 4-methyl-2-oxopentanoate | 0.9704 | 1.2184 | 0.7280 | 1.0665 |
| 4-methylcatechol sulfate | 0.6724 | 0.7546 | 0.9206 | 1.6298 |
| 4-methylguaiacol sulfate | 0.5009 | 0.4860 | 0.9116 | 2.0689 |
| 4-methylhexanoylglutamine | 1.2274 | 1.0336 | 0.7158 | 1.0201 |
| 4-methylhexanoylglycine | 1.2863 | 0.9106 | 0.7118 | 1.0912 |
| 4-octenedioate | 1.1610 | 0.9499 | 0.8344 | 1.0545 |
| 4-ureidobutyrate | 1.0275 | 1.1174 | 0.7882 | 1.0567 |
| 4-vinylguaiacol sulfate | 0.1211 | 0.3523 | 0.5028 | 2.9474 |
| 4-vinylphenol sulfate | 1.2044 | 1.4241 | 0.6148 | 0.7466 |
| 5,6-dihydrothymine | 0.8561 | 1.2131 | 0.7826 | 1.1282 |
| 5,6-dihydrouracil | 0.8681 | 1.2992 | 0.6995 | 1.1092 |
| 5,6-dihydrouridine | 0.9509 | 1.3114 | 0.6538 | 1.0619 |
| 5-acetylamino-6-amino-3-methyluracil | 0.2861 | 0.5493 | 1.5738 | 1.5830 |
| 5-acetylamino-6-formylamino-3-methyluracil | 0.2456 | 0.2128 | 2.0775 | 1.4821 |
| 5alpha-androstan-3beta,17alpha-diol disulfate | 1.0794 | 1.4057 | 0.6268 | 0.8718 |
| 5alpha-androstan-3beta,17beta-diol disulfate | 0.9728 | 1.4045 | 0.5690 | 1.0282 |
| 5alpha-pregnan-3beta,20alpha-diol disulfate | 1.1489 | 1.2637 | 0.6178 | 0.9566 |
| 5alpha-pregnan-diol disulfate | 1.3688 | 1.3961 | 0.4265 | 0.7972 |
| 5-aminovalerate | 1.9468 | 0.6382 | 0.8659 | 0.5943 |
| 5-dodecenoylcarnitine (C12:1) | 1.1767 | 1.0704 | 0.8699 | 0.8855 |
| 5-(galactosylhydroxy)-L-lysine | 0.9217 | 1.1944 | 0.7650 | 1.1015 |
| 5-hydroxyhexanoate | 1.0516 | 1.0895 | 0.9009 | 0.9553 |
| 5-hydroxyindoleacetate | 0.8501 | 1.2393 | 0.7418 | 1.1462 |
| 5-hydroxyindole sulfate | 0.9260 | 1.1519 | 0.9527 | 0.9627 |
| 5-hydroxylysine | 1.0722 | 0.9142 | 1.0134 | 1.0049 |
| 5-hydroxymethyl-2-furoic acid | 0.2637 | 0.3447 | 0.7113 | 2.6234 |
| 5-hydroxymethyl-2-furoylcarnitine* | 0.3902 | 0.5634 | 0.7740 | 2.2259 |
| 5-methylthioadenosine (MTA) | 1.0410 | 1.5680 | 0.6863 | 0.6896 |
| 5-methylthioribose | 1.0223 | 1.1531 | 0.8030 | 1.0118 |
| 5-methyluridine (ribothymidine) | 0.8928 | 1.1201 | 0.7486 | 1.2185 |
| 5-oxoproline | 0.9405 | 1.2154 | 0.7295 | 1.0962 |
| 6-bromotryptophan | 0.7781 | 1.1899 | 0.8085 | 1.2006 |
| 6-hydroxyindole sulfate | 0.8915 | 1.1458 | 1.0040 | 0.9529 |
| 6-oxopiperidine-2-carboxylate | 0.8974 | 1.0148 | 0.9501 | 1.1293 |
| 6^-sialyllactose | 1.2609 | 1.0094 | 1.1627 | 0.5905 |
| 6-sialyl-N-acetyllactosamine | 1.0502 | 0.9748 | 1.1137 | 0.8704 |
| 7,8-dihydroneopterin | 0.8100 | 1.0162 | 0.9580 | 1.2029 |
| 7-hydroxyindole sulfate | 0.7193 | 1.3778 | 0.7335 | 1.1390 |
| 7-ketodeoxycholate | 0.3921 | 0.8941 | 0.8509 | 1.8209 |
| 7-methylguanine | 0.8824 | 1.2748 | 0.7715 | 1.0521 |
| 7-methylguanosine | 1.3618 | 0.5318 | 1.1195 | 1.0136 |
| 7-methylurate | 0.2737 | 0.2989 | 2.0029 | 1.4399 |
| 7-methylxanthine | 0.2034 | 0.3063 | 1.6813 | 1.8027 |
| 8-methoxykynurenate | 0.6787 | 1.1379 | 0.9062 | 1.2541 |
| abscisate | 0.6493 | 1.0031 | 1.2357 | 1.1054 |
| acesulfame | 1.0048 | 2.5454 | 0.2072 | 0.1988 |
| acetylcarnitine (C2) | 0.5664 | 0.5822 | 1.0948 | 1.7378 |
| acisoga | 0.9922 | 1.4037 | 0.5510 | 1.0278 |
| adenine | 1.4436 | 1.1210 | 0.6985 | 0.7448 |
| adenosine | 0.9061 | 1.1403 | 0.8609 | 1.0797 |
| adenosine 3^,5^-cyclic monophosphate (cAMP) | 0.9390 | 1.2255 | 0.7637 | 1.0553 |
| adipate | 1.0416 | 0.9410 | 0.8552 | 1.1564 |
| adipoylcarnitine (C6-DC) | 0.9721 | 1.0355 | 0.7168 | 1.2583 |
| alanine | 0.9172 | 1.0399 | 0.8820 | 1.1497 |
| allantoic acid | 1.0853 | 1.0057 | 0.9255 | 0.9841 |
| allantoin | 0.9370 | 1.5316 | 0.6060 | 0.9000 |
| alliin | 0.8974 | 2.4433 | 0.2469 | 0.3649 |
| allo-threonine | 0.8461 | 1.1574 | 0.8490 | 1.1305 |
| alpha-CEHC | 0.7577 | 1.5042 | 0.8177 | 0.8968 |
| alpha-CEHC glucuronide* | 0.7266 | 1.1616 | 0.8682 | 1.2211 |
| alpha-CEHC glycine* | 0.5182 | 1.0338 | 0.8060 | 1.6045 |
| alpha-CEHC sulfate | 0.7643 | 0.9919 | 0.9720 | 1.2571 |
| alpha-CEHC taurine* | 0.6639 | 0.8347 | 1.1287 | 1.3611 |
| alpha-hydroxyisocaproate | 1.5846 | 0.9671 | 0.6909 | 0.7726 |
| alpha-hydroxyisovalerate | 0.9720 | 1.3541 | 0.6619 | 0.9917 |
| alpha-ketoglutaramate* | 0.8949 | 1.5272 | 0.6116 | 0.9389 |
| alpha-ketoglutarate | 0.9511 | 1.3593 | 0.8142 | 0.8624 |
| androstenediol (3alpha, 17alpha) monosulfate (2) | 0.9464 | 1.7186 | 0.3484 | 0.9474 |
| androstenediol (3beta,17beta) disulfate (1) | 0.6960 | 1.6063 | 0.4272 | 1.2217 |
| androstenediol (3beta,17beta) disulfate (2) | 0.9688 | 1.3435 | 0.6694 | 0.9981 |
| androstenediol (3beta,17beta) monosulfate (1) | 0.9797 | 1.6069 | 0.4236 | 0.9567 |
| androstenediol (3beta,17beta) monosulfate (2) | 0.5584 | 1.9751 | 0.3092 | 1.0944 |
| andro steroid monosulfate C19H28O6S (1)* | 0.7789 | 1.3670 | 0.6200 | 1.2007 |
| androsterone glucuronide | 0.8609 | 1.2420 | 0.7672 | 1.1091 |
| androsterone sulfate | 1.0477 | 1.3010 | 0.6320 | 1.0015 |
| anserine | 0.1739 | 0.2301 | 2.7051 | 0.9397 |
| anthranilate | 1.0747 | 0.7017 | 1.4535 | 0.7994 |
| arabinose | 0.9610 | 1.2241 | 0.7699 | 1.0301 |
| arabitol/xylitol | 1.0015 | 1.1136 | 0.8004 | 1.0735 |
| arabonate/xylonate | 0.9692 | 0.9847 | 1.0228 | 1.0228 |
| argininate* | 0.8577 | 1.4105 | 0.7363 | 0.9730 |
| arginine | 0.9751 | 1.1329 | 0.8325 | 1.0488 |
| argininosuccinate | 1.1704 | 1.1490 | 0.7187 | 0.9557 |
| ascorbate (Vitamin C) | 3.5132 | 0.1992 | 0.2347 | 0.1500 |
| asparagine | 1.1193 | 1.0540 | 0.8724 | 0.9538 |
| aspartate | 1.0892 | 1.3022 | 0.6816 | 0.9142 |
| azelate (C9-DC) | 0.8318 | 1.1588 | 0.8006 | 1.1884 |
| azeloylcarnitine (C9-DC) | 0.8703 | 0.7486 | 0.8646 | 1.5017 |
| benzoate | 1.1680 | 1.0751 | 0.6548 | 1.0923 |
| benzoylcarnitine* | 0.8647 | 0.9023 | 1.0172 | 1.2093 |
| beta-alanine | 0.8078 | 1.0980 | 0.9175 | 1.1615 |
| beta-citrylglutamate | 0.9337 | 1.2183 | 0.7212 | 1.1077 |
| beta-guanidinopropanoate | 0.2188 | 0.4605 | 1.2684 | 2.0238 |
| beta-hydroxyisovalerate | 0.9753 | 1.1348 | 0.9550 | 0.9310 |
| beta-hydroxyisovaleroylcarnitine | 0.9429 | 0.8972 | 0.9779 | 1.1776 |
| betaine | 0.9690 | 1.0917 | 0.8402 | 1.0884 |
| betonicine | 0.5171 | 0.7503 | 1.5285 | 1.2067 |
| biopterin | 1.1046 | 0.9990 | 0.9101 | 0.9871 |
| cadaverine | 2.1439 | 0.4910 | 0.7057 | 0.7065 |
| caffeic acid sulfate | 0.9248 | 1.0792 | 0.8942 | 1.0917 |
| caffeine | 0.1691 | 0.4366 | 1.8223 | 1.5716 |
| carboxyethyl-GABA | 1.0108 | 1.2389 | 0.7320 | 1.0041 |
| carboxyibuprofen | 1.5381 | 1.2214 | 0.4187 | 0.8193 |
| carboxyibuprofen glucuronide* | 1.3920 | 1.3852 | 0.3149 | 0.8916 |
| carnitine | 0.4125 | 0.8199 | 1.2180 | 1.5291 |
| carnosine | 0.8925 | 1.1911 | 0.7949 | 1.1042 |
| catechol glucuronide | 0.7147 | 0.8504 | 0.9693 | 1.4481 |
| catechol sulfate | 0.8050 | 1.3109 | 0.6935 | 1.1627 |
| cetirizine | 1.2207 | 0.9492 | 0.9884 | 0.8533 |
| C-glycosyltryptophan | 0.8897 | 1.2666 | 0.7397 | 1.0833 |
| chiro-inositol | 0.7148 | 0.8925 | 0.4670 | 1.8803 |
| cholate | 0.4498 | 1.4342 | 0.8198 | 1.2557 |
| cholic acid glucuronide | 1.0001 | 0.9648 | 1.2299 | 0.8179 |
| choline | 0.9397 | 1.1502 | 0.7839 | 1.1109 |
| cinnamoylglycine | 1.0518 | 1.0925 | 0.8151 | 1.0332 |
| cis-aconitate | 1.0575 | 1.3189 | 0.6137 | 0.9917 |
| cis-urocanate | 0.8118 | 1.1283 | 0.8875 | 1.1558 |
| citraconate/glutaconate | 0.6564 | 0.9371 | 1.3567 | 1.0506 |
| citramalate | 0.8244 | 0.9381 | 1.0886 | 1.1441 |
| citrate | 1.1041 | 1.4064 | 0.5711 | 0.9004 |
| citrulline | 1.2848 | 0.9608 | 0.8602 | 0.9022 |
| cortisol | 0.7723 | 1.0365 | 0.7964 | 1.3709 |
| cortisol 21-glucuronide | 0.9391 | 1.2954 | 0.7236 | 1.0231 |
| cortisone | 1.0068 | 1.1885 | 0.7557 | 1.0358 |
| creatine | 0.6922 | 0.9705 | 1.1138 | 1.2127 |
| creatinine | 0.9738 | 1.2078 | 0.7203 | 1.0811 |
| cryptochlorogenic acid | 0.5656 | 2.1378 | 0.4929 | 0.7513 |
| cyclo(gly-pro) | 0.4738 | 0.8221 | 1.3569 | 1.3379 |
| cyclo(pro-sulfo-tyr)* | 0.6084 | 1.0784 | 0.9366 | 1.3513 |
| cystathionine | 0.7963 | 0.4611 | 2.0955 | 0.6966 |
| cysteine | 0.9407 | 1.1181 | 0.7922 | 1.1341 |
| cysteine-glutathione disulfide | 1.6364 | 0.4672 | 1.4468 | 0.5099 |
| cysteine s-sulfate | 0.8997 | 1.1197 | 0.8234 | 1.1418 |
| cysteinylglycine | 0.8157 | 1.2392 | 0.7360 | 1.1841 |
| cysteinylglycine disulfide* | 1.0198 | 1.1603 | 0.6941 | 1.1099 |
| cystine | 1.0877 | 1.1326 | 0.8132 | 0.9610 |
| cytidine | 1.2342 | 1.1412 | 0.7303 | 0.8924 |
| cytosine | 0.6917 | 1.0698 | 1.0326 | 1.1906 |
| daidzein | 1.3919 | 2.2412 | 0.0772 | 0.2602 |
| daidzein 7-O-glucuronide | 2.2480 | 1.5816 | 0.0477 | 0.1391 |
| daidzein sulfate (1) | 1.4029 | 2.3490 | 0.0276 | 0.1889 |
| daidzein sulfate (2) | 2.0614 | 1.8094 | 0.0244 | 0.1096 |
| decanoylcarnitine (C10) | 1.1313 | 1.1699 | 0.8507 | 0.8471 |
| dehydroascorbate | 0.6906 | 1.4705 | 0.5301 | 1.2656 |
| dehydroepiandrosterone glucuronide | 0.7687 | 1.4061 | 0.6834 | 1.1114 |
| dehydroepiandrosterone sulfate (DHEA-S) | 1.1480 | 1.4764 | 0.4317 | 0.9206 |
| delta-CEHC | 0.8733 | 1.5786 | 0.7279 | 0.7980 |
| delta-CEHC glucuronide | 0.7262 | 0.9452 | 1.0529 | 1.2635 |
| delta-CEHC sulfate | 0.9808 | 1.0073 | 0.8964 | 1.1086 |
| deoxycarnitine | 0.4722 | 0.7884 | 1.1480 | 1.5702 |
| diacetylspermidine* | 0.8855 | 1.2728 | 0.6897 | 1.1284 |
| diglycerol | 0.3674 | 1.0394 | 0.8299 | 1.7187 |
| dihydrobiopterin | 0.7928 | 1.3372 | 0.7823 | 1.0641 |
| dihydrocaffeate sulfate (2) | 0.8012 | 1.3979 | 0.6057 | 1.1622 |
| dihydroferulate | 1.1141 | 1.2462 | 0.5939 | 1.0296 |
| dihydroferulic acid sulfate | 0.8777 | 1.3201 | 0.6516 | 1.1244 |
| dihydroorotate | 0.8482 | 1.2538 | 0.7164 | 1.1574 |
| dimethylarginine | 0.9762 | 1.0119 | 0.9401 | 1.0671 |
| dimethylarginine (ADMA + SDMA) | 0.9363 | 1.2403 | 0.7004 | 1.1029 |
| dimethylglycine | 1.1287 | 1.1420 | 0.7246 | 0.9965 |
| dimethylmalonic acid | 0.9168 | 0.9848 | 1.0472 | 1.0492 |
| dimethyl sulfone | 2.8318 | 0.4526 | 0.2058 | 0.5674 |
| dopamine | 1.0564 | 0.9445 | 0.8209 | 1.1714 |
| dopamine 3-O-sulfate | 0.7704 | 0.9409 | 1.1813 | 1.1046 |
| dopamine 4-sulfate | 0.6768 | 0.9012 | 1.1852 | 1.2291 |
| ectoine | 0.8817 | 0.8083 | 0.8244 | 1.4693 |
| enterolactone | 0.4039 | 0.5274 | 1.8349 | 1.2471 |
| epiandrosterone glucuronide | 0.9241 | 1.2546 | 0.8025 | 1.0036 |
| epiandrosterone sulfate | 1.3270 | 1.2487 | 0.6021 | 0.8183 |
| equol glucuronide | 2.1767 | 1.2192 | 0.0404 | 0.5757 |
| equol sulfate | 0.9235 | 1.9712 | 0.0177 | 1.0288 |
| erythritol | 0.4560 | 0.5091 | 0.4430 | 2.5308 |
| erythronate* | 0.9544 | 1.1768 | 0.7905 | 1.0641 |
| ethyl glucuronide | 0.0088 | 1.7372 | 0.7454 | 1.4394 |
| ethylmalonate | 0.9051 | 1.2380 | 0.8045 | 1.0363 |
| ethyl maltol sulfate | 0.5782 | 1.4943 | 0.5680 | 1.3120 |
| etiocholanolone glucuronide | 0.9090 | 1.2317 | 0.7587 | 1.0821 |
| eugenol sulfate | 0.6363 | 1.2443 | 1.0888 | 1.0153 |
| ferulate | 0.7618 | 1.0526 | 0.6063 | 1.5442 |
| ferulic acid 4-sulfate | 0.6145 | 0.9383 | 0.5567 | 1.8444 |
| ferulylglycine (1) | 0.9674 | 1.2924 | 0.5633 | 1.1508 |
| ferulylglycine (2) | 0.8881 | 1.2032 | 0.5123 | 1.3631 |
| fluconazole | 0.1012 | 2.0467 | 0.0017 | 1.7450 |
| formiminoglutamate | 1.0568 | 0.9696 | 0.8758 | 1.0940 |
| fructose | 0.7112 | 1.0128 | 0.8331 | 1.4176 |
| fucitol | 0.8875 | 1.2366 | 0.8570 | 1.0047 |
| fucose | 1.0734 | 1.3180 | 0.8070 | 0.7950 |
| fumarate | 0.9497 | 1.5062 | 0.5390 | 0.9767 |
| furaneol sulfate | 0.6525 | 1.0605 | 0.7917 | 1.4644 |
| galactonate | 0.7495 | 0.9612 | 1.0765 | 1.2031 |
| galactosylglycerol | 1.0847 | 1.3466 | 0.7025 | 0.8544 |
| gamma-carboxyglutamate | 1.1751 | 1.1802 | 0.7138 | 0.9247 |
| gamma-CEHC | 0.8852 | 1.4947 | 0.9373 | 0.6729 |
| gamma-CEHC glucuronide* | 0.7026 | 1.1197 | 0.8238 | 1.3276 |
| gamma-CEHC glycine* | 0.4577 | 1.1727 | 0.7535 | 1.5723 |
| gamma-CEHC sulfate | 1.1424 | 0.8667 | 0.8726 | 1.1191 |
| gamma-CEHC taurine* | 0.7480 | 1.1280 | 0.8485 | 1.2531 |
| gamma-glutamyl-epsilon-lysine | 1.2762 | 0.5824 | 1.1318 | 1.0323 |
| gamma-glutamylglutamine | 1.3357 | 1.0392 | 0.7738 | 0.8574 |
| gamma-glutamylglycine | 1.0951 | 0.9258 | 1.0178 | 0.9676 |
| gamma-glutamylhistidine | 0.9371 | 0.7479 | 1.1960 | 1.1263 |
| gamma-glutamylisoleucine* | 0.9713 | 0.9985 | 0.8805 | 1.1414 |
| gamma-glutamylleucine | 1.0777 | 0.7782 | 1.2911 | 0.8734 |
| gamma-glutamylphenylalanine | 1.0325 | 0.9622 | 0.9608 | 1.0441 |
| gamma-glutamylthreonine | 1.0582 | 0.9231 | 0.9250 | 1.0927 |
| gamma-glutamyltyrosine | 0.8310 | 0.9088 | 1.1576 | 1.1020 |
| gamma-glutamylvaline | 0.9260 | 1.0358 | 0.8740 | 1.1531 |
| genistein | 2.2100 | 1.3838 | 0.2235 | 0.2067 |
| genistein glucuronide* | 2.6733 | 1.2843 | 0.0542 | 0.0286 |
| genistein sulfate* | 1.6726 | 2.1291 | 0.0735 | 0.1107 |
| gentisate | 0.9428 | 1.4097 | 0.7083 | 0.9197 |
| gentisic acid-5-glucoside | 0.4271 | 0.7339 | 1.0097 | 1.7981 |
| glucarate (saccharate) | 1.6443 | 0.8308 | 0.9710 | 0.5881 |
| glucoheptose | 0.7269 | 0.9727 | 0.9063 | 1.3738 |
| gluconate | 1.0418 | 1.0660 | 1.0104 | 0.8847 |
| glucose | 0.9585 | 1.2092 | 0.7410 | 1.0746 |
| glucuronate | 0.9515 | 0.9869 | 0.8147 | 1.2339 |
| glucuronide of C10H14O2 (1)* | 0.2937 | 1.1775 | 0.9674 | 1.5204 |
| glucuronide of C10H14O2 (2)* | 1.0028 | 1.7456 | 0.5599 | 0.6674 |
| glucuronide of C10H18O2 (1)* | 0.3773 | 0.8857 | 1.1835 | 1.5290 |
| glucuronide of C10H18O2 (10)* | 0.7759 | 0.9518 | 0.8267 | 1.4235 |
| glucuronide of C10H18O2 (11)* | 0.9915 | 0.9446 | 0.9620 | 1.0993 |
| glucuronide of C10H18O2 (12)* | 1.0130 | 0.9634 | 0.9057 | 1.1134 |
| glucuronide of C10H18O2 (2)* | 0.7015 | 1.6183 | 0.9531 | 0.7080 |
| glucuronide of C10H18O2 (3)* | 0.5120 | 1.9077 | 0.7509 | 0.7884 |
| glucuronide of C10H18O2 (4)* | 0.6991 | 1.5211 | 0.8763 | 0.8799 |
| glucuronide of C10H18O2 (5)* | 0.7748 | 0.9797 | 1.2835 | 0.9652 |
| glucuronide of C10H18O2 (6)* | 0.8299 | 1.1264 | 1.2601 | 0.7886 |
| glucuronide of C10H18O2 (7)* | 0.6556 | 0.9214 | 1.0152 | 1.3895 |
| glucuronide of C10H18O2 (8)* | 0.4704 | 1.0577 | 1.0381 | 1.4065 |
| glucuronide of C12H20O3 (1)* | 0.8734 | 1.2681 | 0.4276 | 1.3920 |
| glucuronide of C12H20O3 (2)* | 0.9270 | 1.1163 | 0.9181 | 1.0300 |
| glucuronide of C12H20O3 (3)* | 0.8703 | 1.5079 | 0.5578 | 1.0322 |
| glucuronide of C12H20O3 (4)* | 1.0368 | 1.1284 | 0.7252 | 1.0964 |
| glucuronide of C12H20O3 (5)* | 0.9279 | 1.0062 | 0.9602 | 1.0994 |
| glucuronide of C12H22O3 (1)* | 0.3588 | 0.5887 | 0.7160 | 2.2851 |
| glucuronide of C12H22O4 (1)* | 1.0678 | 1.0137 | 0.6189 | 1.2822 |
| glucuronide of C12H22O4 (2)* | 1.0794 | 1.0964 | 0.6221 | 1.1855 |
| glucuronide of C14H22O4 (1)* | 0.5974 | 1.2050 | 0.5090 | 1.6390 |
| glucuronide of C14H22O4 (2)* | 0.8056 | 0.7809 | 1.0303 | 1.3740 |
| glucuronide of C14H22O4 (3)* | 0.7591 | 0.8591 | 0.9578 | 1.4083 |
| glucuronide of C14H26O4 (1)* | 0.9886 | 0.9018 | 0.7022 | 1.3902 |
| glucuronide of C14H26O4 (2)* | 0.9420 | 1.1161 | 0.6214 | 1.2962 |
| glucuronide of C16H30O4 (1)* | 0.4801 | 0.6833 | 1.0924 | 1.7205 |
| glucuronide of C19H28O4 (1)* | 0.4058 | 1.1745 | 0.6187 | 1.7468 |
| glucuronide of C19H28O4 (2)* | 0.2061 | 0.2896 | 0.5983 | 2.8396 |
| glucuronide of C8H14O2 (1)* | 0.6482 | 0.8240 | 0.8343 | 1.6647 |
| glucuronide of C8H14O2 (2)* | 0.4500 | 1.1366 | 0.5187 | 1.8374 |
| glucuronide of C8H14O2 (3)* | 0.9857 | 0.8757 | 0.9106 | 1.2222 |
| glucuronide of C8H14O2 (4)* | 0.8494 | 0.7005 | 1.0844 | 1.3621 |
| glucuronide of C8H14O2 (5)* | 0.8403 | 1.9115 | 0.2904 | 0.9095 |
| glucuronide of C8H14O2 (6)* | 0.9805 | 1.3799 | 0.5578 | 1.0561 |
| glucuronide of C8H16O2 (2)* | 0.4955 | 0.6909 | 0.6183 | 2.1461 |
| glucuronide of C8H18O2 (1)* | 0.7451 | 1.4233 | 0.6610 | 1.1376 |
| glucuronide of C8H18O2 (2)* | 0.7434 | 1.3749 | 0.6760 | 1.1734 |
| glucuronide of C9H10O4 (1)* | 0.7094 | 0.9460 | 0.9369 | 1.3881 |
| glucuronide of piperine metabolite C17H21NO3 (1)* | 0.9731 | 1.2639 | 0.7714 | 0.9774 |
| glucuronide of piperine metabolite C17H21NO3 (2)* | 0.7184 | 1.6974 | 0.5414 | 1.0017 |
| glucuronide of piperine metabolite C17H21NO3 (3)* | 0.9974 | 1.2268 | 0.8633 | 0.9047 |
| glucuronide of piperine metabolite C17H21NO3 (4)* | 0.9030 | 1.2712 | 0.7501 | 1.0563 |
| glucuronide of piperine metabolite C17H21NO3 (5)* | 1.0979 | 1.2201 | 0.8271 | 0.8508 |
| glucuronide of piperine metabolite C17H21NO3 (6)* | 1.0071 | 1.3753 | 0.7475 | 0.8564 |
| glutamate | 1.0910 | 1.1755 | 0.7571 | 0.9679 |
| glutamine | 0.9698 | 1.1335 | 0.8131 | 1.0715 |
| glutamine conjugate of C8H12O2 (1)* | 1.0088 | 1.0324 | 0.8580 | 1.0935 |
| glutamine conjugate of C8H12O2 (2)* | 1.0184 | 0.8630 | 1.0658 | 1.0574 |
| glutamine conjugate of C8H12O2 (3)* | 1.1946 | 0.9726 | 0.7770 | 1.0543 |
| glutamine conjugate of C8H12O4 (1)* | 1.0127 | 0.9195 | 0.7340 | 1.3197 |
| glutamine conjugate of C8H12O4 (2)* | 1.6114 | 1.0694 | 0.4527 | 0.8701 |
| glutarate (C5-DC) | 1.0530 | 1.0967 | 0.7335 | 1.1048 |
| glutarylcarnitine (C5-DC) | 0.9494 | 1.1920 | 0.7421 | 1.0993 |
| glycerate | 1.0025 | 1.1802 | 0.6903 | 1.1099 |
| glycerol | 0.8826 | 1.3574 | 0.8819 | 0.8650 |
| glycerol 3-phosphate | 1.0135 | 0.8109 | 0.9501 | 1.2235 |
| glycerophosphoethanolamine | 1.4816 | 0.6829 | 1.0475 | 0.8173 |
| glycerophosphoglycerol | 0.9259 | 1.1281 | 0.8619 | 1.0723 |
| glycerophosphoinositol* | 0.8983 | 1.3015 | 0.6944 | 1.0832 |
| glycerophosphorylcholine (GPC) | 0.7619 | 1.2557 | 0.6914 | 1.2607 |
| glycerophosphoserine* | 1.0605 | 1.1768 | 0.7923 | 0.9623 |
| glycine | 0.8647 | 1.1895 | 0.7918 | 1.1349 |
| glycine conjugate of C10H12O2* | 0.9696 | 1.1978 | 0.7924 | 1.0271 |
| glycine conjugate of C10H14O2 (1)* | 1.0207 | 1.0254 | 0.9195 | 1.0310 |
| glycine conjugate of C10H14O2 (2)* | 0.9234 | 1.1606 | 0.7110 | 1.1846 |
| glycine conjugate of C9H16O2* | 0.6659 | 1.0479 | 0.8081 | 1.4489 |
| glyco-beta-muricholate | 0.9298 | 1.3744 | 0.6497 | 1.0227 |
| glycochenodeoxycholate | 0.6491 | 1.5272 | 0.4776 | 1.2976 |
| glycochenodeoxycholate 3-sulfate | 0.9781 | 1.2070 | 0.7185 | 1.0795 |
| glycochenodeoxycholate glucuronide (1) | 0.6687 | 1.2332 | 0.7874 | 1.2805 |
| glycocholate | 0.8254 | 1.2959 | 0.5490 | 1.2950 |
| glycocholate glucuronide (1) | 0.9845 | 1.1369 | 1.1630 | 0.7237 |
| glycocholenate sulfate* | 0.9296 | 1.4379 | 0.6642 | 0.9458 |
| glycodeoxycholate | 0.5107 | 1.2946 | 0.5550 | 1.5879 |
| glycodeoxycholate 3-sulfate | 0.8281 | 1.3936 | 0.6664 | 1.0838 |
| glycohyocholate | 1.0000 | 1.2277 | 0.4552 | 1.2869 |
| glycolate (hydroxyacetate) | 0.8234 | 0.7543 | 1.4349 | 1.0019 |
| glycolithocholate sulfate* | 0.8948 | 1.5369 | 0.5705 | 0.9680 |
| glycoursodeoxycholate | 0.8004 | 1.4089 | 0.5331 | 1.2206 |
| guaiacol sulfate | 0.7224 | 1.3436 | 0.6723 | 1.2280 |
| guanidinoacetate | 0.9310 | 1.1812 | 0.8644 | 1.0121 |
| guanidinosuccinate | 1.2569 | 0.9597 | 0.9266 | 0.8670 |
| guanine | 0.8776 | 1.1679 | 0.9255 | 1.0180 |
| guanosine | 1.0745 | 1.1194 | 0.9208 | 0.8850 |
| guanosine-3^,5^-cyclic monophosphate (cGMP) | 0.9098 | 1.1550 | 0.8428 | 1.0786 |
| gulonate* | 0.9585 | 1.1077 | 0.9785 | 0.9518 |
| heptanoate (7:0) | 1.6762 | 1.2516 | 0.7966 | 0.3018 |
| heptanoylglutamine | 0.8940 | 1.2478 | 0.6242 | 1.2073 |
| heptenedioate (C7:1-DC)* | 1.1211 | 0.9933 | 0.7982 | 1.0829 |
| hexanoylcarnitine (C6) | 1.0442 | 1.1675 | 0.7590 | 1.0184 |
| hexanoylglutamine | 1.2845 | 1.1087 | 0.6794 | 0.9253 |
| hexanoylglycine (C6) | 1.1718 | 1.1367 | 0.5741 | 1.1034 |
| hippurate | 0.8471 | 1.0790 | 0.8164 | 1.2388 |
| histamine | 1.9638 | 0.8062 | 0.6010 | 0.6604 |
| histidine | 1.1885 | 0.9095 | 0.9662 | 0.9444 |
| histidine betaine (hercynine)* | 1.1575 | 0.6079 | 1.8037 | 0.4842 |
| homoarginine | 0.8109 | 0.9722 | 0.9857 | 1.2198 |
| homocarnosine | 0.9851 | 1.2267 | 0.7811 | 0.9941 |
| homocitrate | 1.2961 | 1.0809 | 0.6630 | 0.9578 |
| homocitrulline | 1.1804 | 1.0835 | 0.6337 | 1.0921 |
| homoserine | 0.7908 | 1.2671 | 0.8628 | 1.0601 |
| homostachydrine* | 0.7988 | 0.8631 | 1.1939 | 1.1437 |
| homovanillate (HVA) | 0.8109 | 1.1673 | 0.7151 | 1.2804 |
| homovanillate sulfate | 0.7136 | 1.1258 | 0.7299 | 1.3998 |
| hydantoin-5-propionate | 1.0808 | 1.1280 | 0.8033 | 0.9815 |
| hydroquinone sulfate | 1.0640 | 1.5848 | 0.4884 | 0.8379 |
| hydroxyasparagine | 1.0758 | 1.1334 | 0.7527 | 1.0286 |
| hydroxy-N6,N6,N6-trimethyllysine* | 0.8207 | 1.1848 | 0.8395 | 1.1361 |
| hypotaurine | 1.6700 | 0.5779 | 1.1901 | 0.6098 |
| hypoxanthine | 0.8201 | 1.4510 | 0.6542 | 1.0455 |
| ibuprofen acyl glucuronide | 1.1061 | 1.3802 | 0.7124 | 0.7911 |
| imidazole lactate | 1.1690 | 1.1436 | 0.6824 | 0.9967 |
| imidazole propionate | 0.9851 | 1.0262 | 0.8774 | 1.1037 |
| indole-3-carboxylate | 0.5507 | 1.2358 | 0.5760 | 1.5890 |
| indoleacetate | 1.1332 | 1.3918 | 0.6430 | 0.8196 |
| indoleacetoylcarnitine* | 0.6220 | 0.5103 | 1.9776 | 0.9235 |
| indoleacetylglutamine | 0.9732 | 1.0563 | 1.0380 | 0.9331 |
| indoleacetylglycine | 0.7166 | 1.3428 | 0.8601 | 1.0569 |
| indolelactate | 1.0021 | 1.0868 | 0.9167 | 0.9899 |
| indolepropionylglycine | 1.3474 | 1.2967 | 0.6619 | 0.6945 |
| indolin-2-one | 0.8639 | 1.0464 | 0.9371 | 1.1415 |
| indoxyl glucuronide | 0.8290 | 0.9897 | 1.0737 | 1.1022 |
| inosine | 0.9248 | 1.2971 | 0.6968 | 1.0603 |
| isobutyrylcarnitine (C4) | 0.7124 | 0.9627 | 0.9892 | 1.3191 |
| isobutyrylglycine (C4) | 0.7327 | 0.9308 | 1.1437 | 1.1858 |
| isocaproylglutamine | 1.2897 | 1.1877 | 0.6036 | 0.9130 |
| isocaproylglycine | 1.1433 | 1.0995 | 0.7673 | 0.9850 |
| isocitrate | 1.1540 | 1.2637 | 0.6329 | 0.9375 |
| isocitric lactone | 1.0628 | 1.0369 | 0.8743 | 1.0225 |
| isoeugenol sulfate | 0.6514 | 1.0302 | 1.1972 | 1.1127 |
| isoleucine | 0.9087 | 1.2178 | 0.7288 | 1.1246 |
| isoleucylhydroxyproline* | 1.0151 | 1.2363 | 0.7893 | 0.9485 |
| isovalerylcarnitine (C5) | 0.5408 | 0.7804 | 1.3670 | 1.3067 |
| isovalerylglutamine | 0.7024 | 1.0875 | 0.8833 | 1.3038 |
| isovalerylglycine | 0.6543 | 0.9749 | 1.0565 | 1.2983 |
| isoxanthopterin | 0.9854 | 1.1058 | 0.7934 | 1.1030 |
| I-urobilinogen | 0.5516 | 2.6470 | 0.3883 | 0.3542 |
| kynurenate | 0.8313 | 1.1007 | 0.8862 | 1.1662 |
| kynurenine | 0.9194 | 0.9003 | 0.6674 | 1.4899 |
| lactate | 1.1401 | 1.1899 | 0.7173 | 0.9448 |
| lactose | 0.9192 | 1.0248 | 0.9996 | 1.0519 |
| lanthionine | 0.8731 | 1.0722 | 0.7324 | 1.3003 |
| laurylcarnitine (C12) | 1.2715 | 1.0532 | 0.8325 | 0.8485 |
| leucine | 0.8992 | 1.1429 | 0.8008 | 1.1405 |
| leucylhydroxyproline* | 0.9747 | 1.2974 | 0.7464 | 0.9660 |
| levulinate (4-oxovalerate) | 0.8085 | 1.1221 | 0.7765 | 1.2698 |
| lithocholate sulfate (1) | 0.8735 | 1.4783 | 0.6510 | 0.9708 |
| L-urobilin | 1.7449 | 0.9168 | 0.6995 | 0.6635 |
| lysine | 0.9424 | 0.9334 | 1.0717 | 1.0533 |
| malate | 1.2211 | 1.0687 | 0.9135 | 0.8042 |
| maleate | 0.8137 | 1.3487 | 0.6683 | 1.1404 |
| malonate | 1.2997 | 1.1577 | 0.6321 | 0.9068 |
| malonylcarnitine | 1.1802 | 1.2343 | 0.7789 | 0.8043 |
| mandelate | 1.0633 | 1.4582 | 0.6906 | 0.7742 |
| mannitol/sorbitol | 0.7135 | 0.9735 | 1.2996 | 1.0142 |
| mannonate* | 0.8740 | 1.2819 | 0.7589 | 1.0648 |
| mannose | 1.7044 | 0.6102 | 1.1303 | 0.6015 |
| mesaconate (methylfumarate) | 0.9817 | 1.1437 | 0.8569 | 1.0087 |
| methionine | 0.9869 | 1.1434 | 0.8144 | 1.0444 |
| methionine sulfone | 1.0419 | 1.1587 | 0.6995 | 1.0855 |
| methionine sulfoxide | 1.3912 | 1.1093 | 0.5235 | 0.9712 |
| methyl-4-hydroxybenzoate sulfate | 0.5455 | 1.0410 | 0.5159 | 1.8455 |
| methyl indole-3-acetate | 1.1424 | 1.4126 | 1.2305 | 0.2352 |
| methylmalonate (MMA) | 0.8410 | 1.2334 | 0.7804 | 1.1242 |
| methylsuccinate | 0.8658 | 1.3070 | 0.7376 | 1.0676 |
| methylsuccinoylcarnitine | 0.6818 | 1.4131 | 0.6327 | 1.2343 |
| methylurea | 0.8018 | 0.8971 | 1.0379 | 1.2543 |
| mevalonate | 0.8011 | 1.0463 | 0.8426 | 1.2903 |
| mevalonolactone | 0.9704 | 1.0895 | 0.8737 | 1.0577 |
| m-tyramine | 0.8307 | 1.0434 | 0.7978 | 1.3074 |
| m-tyramine sulfate | 0.6258 | 1.0355 | 1.0221 | 1.2970 |
| myo-inositol | 1.0628 | 1.1140 | 0.7988 | 1.0166 |
| myristoleoylcarnitine (C14:1)* | 1.3340 | 1.1862 | 0.5184 | 0.9533 |
| N1-Methyl-2-pyridone-5-carboxamide | 1.0181 | 1.0523 | 0.9704 | 0.9585 |
| N1-Methyl-4-pyridone-3-carboxamide | 0.8738 | 1.2186 | 0.8288 | 1.0623 |
| N1-methylinosine | 0.8707 | 1.2614 | 0.7599 | 1.0875 |
| N1,N12-diacetylspermine | 0.8585 | 1.1725 | 0.7425 | 1.2044 |
| (N(1) + N(8))-acetylspermidine | 0.8963 | 1.1778 | 0.7250 | 1.1799 |
| N2-acetyllysine | 0.8740 | 1.0105 | 1.0543 | 1.0573 |
| N2-acetyl,N6-methyllysine | 1.2067 | 1.0051 | 0.8484 | 0.9428 |
| N-(2-furoyl)glycine | 0.4426 | 0.6626 | 1.8102 | 1.0986 |
| N2-methylguanosine | 0.8295 | 1.3280 | 0.7322 | 1.0859 |
| N2,N2-dimethylguanine | 2.3814 | 0.4999 | 0.5009 | 0.6668 |
| N2,N2-dimethylguanosine | 1.0582 | 1.1776 | 0.7663 | 0.9882 |
| N2,N5-diacetylornithine | 1.1533 | 1.4020 | 0.6447 | 0.7887 |
| N2,N6-diacetyllysine | 0.8492 | 1.2053 | 0.7390 | 1.1837 |
| N3-methyluridine | 1.9140 | 0.8606 | 0.4795 | 0.7678 |
| N4-acetylcytidine | 0.9009 | 1.2581 | 0.7318 | 1.0888 |
| N6-acetyllysine | 0.9406 | 1.1186 | 0.8134 | 1.1138 |
| N6-carbamoylthreonyladenosine | 1.0861 | 1.2319 | 0.6891 | 0.9805 |
| N6-carboxymethyllysine | 0.7700 | 1.2518 | 0.6104 | 1.3333 |
| N6-methyladenosine | 1.4167 | 1.2878 | 0.7320 | 0.5717 |
| N6-methyllysine | 1.4282 | 0.8084 | 0.9682 | 0.8172 |
| N6,N6-dimethyllysine | 1.1205 | 1.0661 | 0.8513 | 0.9606 |
| N6,N6,N6-trimethyllysine | 0.7547 | 1.1730 | 0.8959 | 1.1569 |
| N6-succinyladenosine | 0.9151 | 1.2641 | 0.7615 | 1.0414 |
| N-acetyl-1-methylhistidine* | 0.7750 | 1.0514 | 0.9358 | 1.2218 |
| N-acetyl-2-aminooctanoate* | 0.9401 | 1.0632 | 0.8104 | 1.1725 |
| N-acetyl-3-methylhistidine* | 0.0899 | 0.1750 | 1.7505 | 1.9757 |
| N-acetylalanine | 0.9057 | 1.2090 | 0.8249 | 1.0455 |
| N-acetylalliin | 1.2758 | 2.0969 | 0.2942 | 0.3093 |
| N-acetylarginine | 0.9618 | 1.1793 | 0.8161 | 1.0305 |
| N-acetylasparagine | 1.0226 | 1.0142 | 0.7957 | 1.1573 |
| N-acetylaspartate (NAA) | 0.9587 | 1.1674 | 0.8043 | 1.0564 |
| N-acetyl-aspartyl-glutamate (NAAG) | 0.9929 | 1.1879 | 0.7345 | 1.0695 |
| N-acetyl-beta-alanine | 0.9843 | 1.0748 | 0.8010 | 1.1280 |
| N-acetyl-cadaverine | 0.6274 | 0.8015 | 0.6446 | 1.8861 |
| N-acetylcarnosine | 0.9980 | 1.2435 | 0.8048 | 0.9427 |
| N-acetylcitrulline | 0.7090 | 1.1502 | 0.8437 | 1.2723 |
| N-acetylcysteine | 0.9598 | 1.0537 | 0.8412 | 1.1342 |
| N-acetylglucosamine conjugate of C24H38O4 bile acid | 0.7160 | 1.3908 | 0.6786 | 1.1809 |
| N-acetylglucosamine conjugate of C24H40O4 bile acid | 0.6909 | 1.3623 | 0.6774 | 1.2343 |
| N-acetylglucosamine/N-acetylgalactosamine | 0.9731 | 1.2271 | 0.7612 | 1.0238 |
| N-acetylglucosaminylasparagine | 1.0026 | 1.1765 | 0.7686 | 1.0396 |
| N-acetylglutamate | 1.0141 | 1.0607 | 0.8005 | 1.1143 |
| N-acetylglutamine | 0.8721 | 1.1367 | 0.7797 | 1.1921 |
| N-acetylglycine | 1.7974 | 0.8330 | 0.7343 | 0.6649 |
| N-acetylhistamine | 0.8264 | 1.0166 | 1.1601 | 0.9962 |
| N-acetylhistidine | 0.6850 | 0.7882 | 0.9354 | 1.5703 |
| N-acetylhomocitrulline | 1.1380 | 1.1416 | 0.7272 | 0.9857 |
| N-acetylisoleucine | 0.8842 | 0.9760 | 0.9486 | 1.1820 |
| N-acetyl-isoputreanine | 1.0792 | 1.3500 | 0.6539 | 0.9021 |
| N-acetylkynurenine (2) | 0.3055 | 0.4398 | 0.2780 | 2.8980 |
| N-acetylleucine | 0.7777 | 1.0806 | 0.7521 | 1.3635 |
| N-acetylmethionine | 0.7109 | 1.1795 | 0.7502 | 1.3295 |
| N-acetylmethionine sulfoxide | 1.2947 | 0.5650 | 1.2524 | 0.9183 |
| N-acetylneuraminate | 1.0356 | 1.2090 | 0.7636 | 0.9807 |
| N-acetylphenylalanine | 0.7869 | 1.0934 | 0.8826 | 1.2188 |
| N-acetylproline | 0.7569 | 0.9670 | 0.8791 | 1.3767 |
| N-acetylputrescine | 0.9169 | 1.2022 | 0.7296 | 1.1317 |
| N-acetylpyrraline | 0.8009 | 0.8995 | 1.0684 | 1.2240 |
| N-acetyl-S-allyl-L-cysteine | 1.7186 | 1.7769 | 0.2936 | 0.2115 |
| N-acetylserine | 0.9056 | 1.1953 | 0.7357 | 1.1435 |
| N-acetyltaurine | 0.8658 | 1.3198 | 0.5912 | 1.1931 |
| N-acetylthreonine | 0.8664 | 1.1315 | 0.8326 | 1.1527 |
| N-acetyltryptophan | 0.7973 | 1.1298 | 0.8859 | 1.1695 |
| N-acetyltyrosine | 0.6844 | 1.0897 | 0.8225 | 1.3761 |
| N-acetylvaline | 0.7860 | 1.1473 | 0.7830 | 1.2599 |
| naringenin | 0.8857 | 1.7192 | 0.3461 | 1.0064 |
| naringenin 7-glucuronide | 2.1144 | 1.1459 | 0.1801 | 0.5759 |
| N-carbamoylalanine | 1.1518 | 1.0968 | 0.7802 | 0.9675 |
| N-carbamoylaspartate | 1.1289 | 0.9694 | 0.9476 | 0.9584 |
| N-carbamoylsarcosine | 1.3083 | 0.7853 | 1.1710 | 0.7621 |
| N-carbamoylvaline | 0.9689 | 1.2205 | 0.7560 | 1.0393 |
| N-delta-acetylornithine | 1.1195 | 1.4035 | 0.5861 | 0.8745 |
| neopterin | 0.8162 | 1.2600 | 0.8371 | 1.0675 |
| N-formylanthranilic acid | 0.8919 | 1.2297 | 0.8167 | 1.0455 |
| N-formylmethionine | 0.8885 | 1.1278 | 0.8827 | 1.0883 |
| nicotinamide | 1.1683 | 1.1764 | 0.6968 | 0.9510 |
| nicotinamide N-oxide | 0.9527 | 0.7087 | 1.3317 | 1.0226 |
| nicotinamide riboside | 1.0715 | 1.4225 | 0.5795 | 0.9071 |
| nicotinate ribonucleoside | 0.7893 | 1.4551 | 0.6291 | 1.0942 |
| nicotinurate | 0.6878 | 1.7660 | 0.6120 | 0.8953 |
| N-methylalanine | 0.5486 | 1.1685 | 1.1924 | 1.0760 |
| N-methyl-GABA | 1.1764 | 1.4804 | 0.5947 | 0.7359 |
| N-methylglutamate | 0.5289 | 1.3802 | 0.8439 | 1.2122 |
| N-methylhydantoin | 1.2669 | 0.6487 | 1.5465 | 0.5830 |
| N-methylpipecolate | 0.4925 | 1.3979 | 0.5104 | 1.5438 |
| N-methylproline | 0.8232 | 0.8942 | 1.0772 | 1.1999 |
| N-methyltaurine | 1.3062 | 1.4059 | 0.7246 | 0.5651 |
| N,N-dimethyl-5-aminovalerate | 0.8602 | 1.3377 | 0.7381 | 1.0417 |
| N,N,N-trimethyl-5-aminovalerate | 0.5706 | 0.8425 | 1.1681 | 1.4042 |
| N,N,N-trimethyl-alanylproline betaine (TMAP) | 0.9467 | 1.2220 | 0.7172 | 1.0955 |
| N-octanoylglutamine | 1.2240 | 1.1127 | 0.7610 | 0.9015 |
| N-octanoylglycine | 0.6819 | 1.6447 | 0.3947 | 1.2274 |
| nonenedioate (C9:1-DC)* | 1.1283 | 1.0251 | 0.8430 | 1.0019 |
| o-cresol sulfate | 0.7871 | 0.8782 | 1.0063 | 1.3170 |
| octanoylcarnitine (C8) | 0.8508 | 1.0475 | 1.0335 | 1.0618 |
| orcinol sulfate | 0.8304 | 1.0045 | 0.8218 | 1.3240 |
| ornithine | 0.9288 | 1.1992 | 0.7805 | 1.0753 |
| orotate | 0.9542 | 1.3552 | 0.7134 | 0.9587 |
| orotidine | 0.8640 | 1.1795 | 0.8327 | 1.1069 |
| O-sulfo-L-tyrosine | 0.8606 | 1.1679 | 0.8086 | 1.1445 |
| oxalate (ethanedioate) | 1.2454 | 1.3467 | 0.5298 | 0.8656 |
| palmitoyl sphingomyelin (d18:1/16:0) | 0.3215 | 2.4557 | 0.3739 | 0.7764 |
| pantoate | 0.7289 | 1.7270 | 0.8668 | 0.6549 |
| pantothenate (Vitamin B5) | 1.1406 | 1.2664 | 0.7735 | 0.8147 |
| paraxanthine | 0.2501 | 0.7198 | 1.4935 | 1.5224 |
| p-cresol glucuronide* | 0.9393 | 0.9583 | 0.8372 | 1.2527 |
| p-cresol sulfate | 0.8956 | 1.2134 | 0.7724 | 1.1001 |
| phenethylamine | 0.3846 | 1.3928 | 0.7352 | 1.4385 |
| phenol glucuronide | 1.0187 | 1.1151 | 0.7849 | 1.0704 |
| phenol sulfate | 0.8704 | 1.1910 | 0.6376 | 1.2736 |
| phenylacetylalanine | 0.6649 | 0.9451 | 1.1014 | 1.2755 |
| phenylacetylglutamate | 0.9251 | 1.2358 | 0.8856 | 0.9430 |
| phenylacetylglutamine | 1.1221 | 1.1592 | 0.7951 | 0.9190 |
| phenylacetylglycine | 0.9084 | 0.8648 | 1.1017 | 1.1257 |
| phenylacetylhistidine | 1.1317 | 1.0242 | 0.9414 | 0.9067 |
| phenylacetylmethionine | 0.8698 | 1.1351 | 0.8674 | 1.1131 |
| phenylacetylphenylalanine | 0.8127 | 1.2309 | 0.8149 | 1.1209 |
| phenylacetylserine | 1.1556 | 1.1057 | 0.8216 | 0.9159 |
| phenylacetylthreonine | 0.8169 | 0.9741 | 1.1568 | 1.0507 |
| phenylalanine | 0.9684 | 1.1695 | 0.8039 | 1.0455 |
| phenylalanylglycine | 0.9928 | 1.0557 | 0.9144 | 1.0320 |
| phenyllactate (PLA) | 1.4636 | 0.9781 | 0.6851 | 0.8815 |
| phenylpropionylglycine | 0.7927 | 1.0490 | 0.9130 | 1.2289 |
| phosphate | 0.8616 | 1.1582 | 0.7829 | 1.1775 |
| phosphocholine | 1.0756 | 0.6927 | 1.0017 | 1.2344 |
| phosphoethanolamine (PE) | 1.2327 | 0.8260 | 0.9908 | 0.9629 |
| picolinate | 0.9882 | 1.1661 | 0.8003 | 1.0336 |
| picolinoylglycine | 0.9674 | 1.1067 | 0.8349 | 1.0800 |
| pimelate (C7-DC) | 0.6228 | 1.0611 | 0.7739 | 1.5086 |
| pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) | 0.8219 | 1.1697 | 0.7364 | 1.2475 |
| pipecolate | 1.0162 | 1.1516 | 0.7075 | 1.1094 |
| piperidine | 1.2762 | 1.0777 | 0.6854 | 0.9585 |
| pregnanediol-3-glucuronide | 1.3501 | 1.2731 | 0.6760 | 0.7023 |
| pregnen-diol disulfate* | 0.9854 | 1.4803 | 0.5524 | 0.9563 |
| pregnenetriol disulfate* | 1.1371 | 1.2503 | 0.6839 | 0.9187 |
| pregnenetriol sulfate* | 0.9533 | 1.7427 | 0.2857 | 0.9761 |
| prolylglycine | 0.8653 | 1.0827 | 0.8560 | 1.1805 |
| prolylhydroxyproline | 0.9716 | 1.2570 | 0.7514 | 1.0046 |
| propionylcarnitine (C3) | 0.3458 | 0.7778 | 1.5311 | 1.3385 |
| propionylglycine (C3) | 0.6918 | 1.4945 | 0.5969 | 1.1773 |
| propyl 4-hydroxybenzoate sulfate | 0.2796 | 0.3864 | 0.2203 | 3.0304 |
| pseudouridine | 0.9205 | 1.4692 | 0.6851 | 0.9033 |
| pterin | 1.2708 | 0.9987 | 0.8606 | 0.8771 |
| pyridoxal | 1.0370 | 1.1640 | 0.9760 | 0.8238 |
| pyridoxamine | 1.1130 | 1.0358 | 0.8547 | 0.9948 |
| pyridoxate | 0.7671 | 1.4004 | 0.8426 | 0.9682 |
| pyroglutamine* | 0.9839 | 1.0587 | 0.8761 | 1.0735 |
| pyrraline | 0.7653 | 0.8256 | 0.9757 | 1.4191 |
| pyruvate | 0.8365 | 1.4285 | 0.6997 | 1.0096 |
| quinate | 0.3907 | 0.5658 | 1.1695 | 1.8496 |
| quinolinate | 0.9592 | 1.1299 | 0.9560 | 0.9501 |
| (R)-3-hydroxybutyrylcarnitine | 0.5154 | 0.2253 | 2.0177 | 1.2712 |
| raffinose | 1.2881 | 1.4473 | 0.3609 | 0.8842 |
| resveratrol disulfate (1)* | 0.4738 | 0.3788 | 1.6785 | 1.4773 |
| ribitol | 0.8962 | 1.1772 | 0.8161 | 1.0945 |
| riboflavin (Vitamin B2) | 1.0067 | 1.5562 | 0.5594 | 0.8536 |
| ribonate | 0.9274 | 1.1758 | 0.8424 | 1.0417 |
| ribulonate/xylulonate/lyxonate* | 0.9740 | 1.1721 | 0.8283 | 1.0147 |
| ribulose/xylulose | 0.7875 | 1.4016 | 0.7598 | 1.0259 |
| S-1-pyrroline-5-carboxylate | 1.1304 | 1.0315 | 0.9856 | 0.8590 |
| (S)-3-hydroxybutyrylcarnitine | 0.9295 | 0.6736 | 1.3456 | 1.0666 |
| S-(3-hydroxypropyl)mercapturic acid (HPMA) | 0.8881 | 1.3571 | 0.4886 | 1.2316 |
| saccharin | 0.0844 | 2.5425 | 0.7407 | 0.5671 |
| S-adenosylhomocysteine (SAH) | 0.8535 | 1.2220 | 0.7774 | 1.1266 |
| S-adenosylmethionine (SAM) | 1.0124 | 1.0513 | 0.8285 | 1.0991 |
| salicylate | 0.9607 | 1.0383 | 0.8207 | 1.1681 |
| salicyluric glucuronide* | 0.4435 | 1.2451 | 0.7490 | 1.5176 |
| sarcosine | 0.9157 | 1.0995 | 0.8612 | 1.1113 |
| S-carboxymethyl-L-cysteine | 1.1488 | 1.0261 | 0.9527 | 0.8781 |
| scyllo-inositol | 1.2021 | 1.0576 | 0.8589 | 0.8848 |
| sebacate (C10-DC) | 0.8992 | 1.6868 | 0.5075 | 0.8736 |
| sedoheptulose | 0.7604 | 0.9400 | 1.1627 | 1.1326 |
| serine | 1.0150 | 1.1751 | 0.7445 | 1.0520 |
| serotonin | 0.9092 | 1.3434 | 0.7714 | 0.9582 |
| S-methylcysteine | 0.9118 | 1.5146 | 0.5418 | 1.0015 |
| S-methylcysteine sulfoxide | 0.9513 | 1.2614 | 0.5867 | 1.1749 |
| S-methylmethionine | 1.1292 | 0.4141 | 0.9902 | 1.4732 |
| spermidine | 1.0674 | 1.3542 | 0.4926 | 1.0614 |
| stachydrine | 1.0818 | 1.1111 | 0.7140 | 1.0818 |
| suberate (C8-DC) | 0.9565 | 1.0595 | 0.7504 | 1.2173 |
| suberoylcarnitine (C8-DC) | 1.0321 | 1.0359 | 0.7725 | 1.1486 |
| suberylglycine | 1.1546 | 1.2049 | 0.5736 | 1.0518 |
| succinate | 1.1430 | 1.1717 | 0.7290 | 0.9492 |
| succinimide | 0.9683 | 1.1879 | 0.7637 | 1.0652 |
| succinylcarnitine (C4-DC) | 0.9181 | 1.3003 | 0.7098 | 1.0511 |
| succinylglutamine | 1.0535 | 1.1163 | 0.7048 | 1.1119 |
| sucralose | 0.1425 | 2.6766 | 0.3264 | 0.7694 |
| sucrose | 0.5881 | 0.6528 | 0.8751 | 1.8542 |
| sulfate* | 1.0136 | 0.9553 | 0.9225 | 1.1051 |
| sulfate of piperine metabolite C15H17NO3 (1)* | 1.0380 | 1.4174 | 0.6792 | 0.8497 |
| sulfate of piperine metabolite C15H17NO3 (2)* | 1.0694 | 1.4514 | 0.7121 | 0.7550 |
| sulfate of piperine metabolite C16H17NO3 (1)* | 0.7762 | 1.3010 | 0.7378 | 1.1580 |
| sulfate of piperine metabolite C16H19NO3 (1)* | 0.8415 | 1.3660 | 0.6481 | 1.1161 |
| sulfate of piperine metabolite C16H19NO3 (2)* | 0.8884 | 1.2709 | 0.7645 | 1.0569 |
| sulfate of piperine metabolite C16H19NO3 (3)* | 0.9469 | 1.2707 | 0.7538 | 1.0120 |
| sulfate of piperine metabolite C16H19NO4 (1)* | 0.5573 | 2.0979 | 0.3867 | 0.8994 |
| sulfate of piperine metabolite C16H19NO4 (2)* | 0.8711 | 1.2741 | 0.7280 | 1.1046 |
| sulfate of piperine metabolite C16H19NO4 (3)* | 0.8667 | 1.2485 | 0.8002 | 1.0662 |
| sulfate of piperine metabolite C16H19NO4 (4)* | 0.9682 | 1.2764 | 0.7641 | 0.9763 |
| sulfate of piperine metabolite C18H21NO3 (1)* | 1.1342 | 1.2214 | 0.7456 | 0.8921 |
| sulfate of piperine metabolite C18H21NO3 (2)* | 0.8895 | 1.2890 | 0.6928 | 1.1055 |
| sulfate of piperine metabolite C18H21NO3 (3)* | 1.0602 | 1.2185 | 0.7665 | 0.9451 |
| sulforaphane-N-acetyl-cysteine | 0.2244 | 1.1025 | 2.1045 | 0.5869 |
| symmetric dimethylarginine (SDMA) | 1.1082 | 1.1101 | 0.8068 | 0.9701 |
| syringic acid | 0.8438 | 1.9725 | 0.4039 | 0.7380 |
| syringol sulfate | 0.7563 | 0.9053 | 0.6395 | 1.6653 |
| tartarate | 0.7539 | 0.0868 | 2.1530 | 1.0567 |
| tartronate (hydroxymalonate) | 1.1346 | 1.1461 | 0.9607 | 0.7639 |
| taurine | 1.0220 | 1.2089 | 0.8152 | 0.9448 |
| tauro-beta-muricholate | 0.7884 | 1.5794 | 0.6137 | 0.9853 |
| taurochenodeoxycholic acid 3-sulfate | 1.1776 | 1.0027 | 1.0285 | 0.8026 |
| taurocholenate sulfate* | 1.2232 | 1.2778 | 0.6242 | 0.8663 |
| taurodeoxycholic acid 3-sulfate | 0.6693 | 1.5364 | 0.6098 | 1.1444 |
| taurolithocholate 3-sulfate | 1.2294 | 1.2379 | 0.7041 | 0.8249 |
| tetrahydrocortisol sulfate (1) | 1.0689 | 1.3554 | 0.6800 | 0.8817 |
| theobromine | 0.1159 | 0.2679 | 1.9195 | 1.6987 |
| theophylline | 0.1771 | 0.6434 | 1.4311 | 1.7266 |
| thiamin (Vitamin B1) | 0.8482 | 1.4449 | 0.7446 | 0.9397 |
| thioproline | 1.1257 | 1.2106 | 0.8193 | 0.8414 |
| threonate | 0.9466 | 1.3352 | 0.7104 | 0.9888 |
| threonine | 0.8622 | 1.0830 | 0.8750 | 1.1651 |
| thymine | 0.8335 | 1.2152 | 0.7519 | 1.1764 |
| thymol sulfate | 1.3937 | 1.1649 | 0.4381 | 0.9939 |
| tigloylglycine | 0.9708 | 1.0919 | 0.7581 | 1.1641 |
| tiglyl carnitine (C5) | 0.8349 | 0.9477 | 0.9780 | 1.2290 |
| trans-2-hexenoylglycine | 1.2557 | 1.2021 | 0.6541 | 0.8831 |
| trans-3,4-methyleneheptanoylglycine | 0.7487 | 1.0154 | 0.8119 | 1.3996 |
| trans-aconitate | 1.1135 | 1.0759 | 0.7750 | 1.0294 |
| trans-urocanate | 1.1021 | 1.0776 | 0.8439 | 0.9734 |
| triacetate lactone | 1.0436 | 1.1372 | 0.7800 | 1.0294 |
| tricarballylate | 0.5418 | 1.1451 | 0.5902 | 1.6747 |
| tridecenedioate (C13:1-DC)* | 1.2093 | 1.4948 | 0.4262 | 0.8495 |
| trigonelline (N^-methylnicotinate) | 1.2333 | 1.1917 | 0.6679 | 0.9016 |
| trimethylamine N-oxide | 0.8660 | 1.0654 | 0.8423 | 1.2102 |
| trizma acetate | 0.0669 | 0.0087 | 2.3302 | 1.6162 |
| tryptamine | 0.7976 | 0.8309 | 1.0415 | 1.3211 |
| tryptophan | 1.0318 | 1.0824 | 0.8607 | 1.0191 |
| tryptophan betaine | 0.9016 | 1.0688 | 0.9078 | 1.1113 |
| tyramine | 1.2266 | 1.0198 | 0.8017 | 0.9534 |
| tyramine O-sulfate | 0.5223 | 1.2028 | 1.4575 | 0.8162 |
| tyrosine | 0.7527 | 1.2139 | 0.7096 | 1.2939 |
| umbelliferone sulfate | 0.4002 | 1.6639 | 0.7800 | 1.1104 |
| uracil | 0.8680 | 1.2577 | 0.7504 | 1.1027 |
| urate | 0.9660 | 1.2025 | 0.7230 | 1.0912 |
| urea | 0.9457 | 1.1280 | 0.8051 | 1.1074 |
| uric acid ribonucleoside* | 0.9911 | 1.1471 | 0.7762 | 1.0727 |
| uridine | 0.9409 | 1.2165 | 0.7669 | 1.0594 |
| ursocholate | 0.1379 | 0.4468 | 0.5793 | 2.7648 |
| valine | 0.8080 | 1.1898 | 0.7697 | 1.2091 |
| valylleucine | 0.9385 | 1.2026 | 0.8947 | 0.9550 |
| vanillactate | 0.7308 | 1.3497 | 0.7597 | 1.1315 |
| vanillate | 1.0051 | 1.4889 | 0.5994 | 0.8847 |
| vanillic alcohol sulfate | 0.9834 | 1.0723 | 0.8813 | 1.0555 |
| vanillylmandelate (VMA) | 0.9719 | 1.2431 | 0.7771 | 0.9939 |
| xanthine | 0.9761 | 1.2320 | 0.7551 | 1.0219 |
| xanthopterin | 0.9792 | 1.1789 | 0.8376 | 0.9941 |
| xanthosine | 0.9114 | 1.2828 | 0.7680 | 1.0200 |
| xanthurenate | 0.8072 | 0.9442 | 1.2090 | 1.0405 |
| xylose | 0.8376 | 1.2360 | 0.8655 | 1.0444 |
Factors:
| F1 | Diet:Post | Study Phase:1 |
| F2 | Diet:Post | Study Phase:2 |
| F3 | Diet:Pre | Study Phase:1 |
| F4 | Diet:Pre | Study Phase:2 |