Data for SCOR Metabolomics (Study ST000105)
(Analysis AN000174)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 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE | NA | 1.3200 | NA | 0.6796 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0003 |
| 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | 0.5331 | 0.5292 | NA | 1.2172 | NA | NA | NA | 0.9920 | 1.1916 | NA | 0.5694 | NA | 1.4755 | NA | 1.0394 | 0.9327 | 2.0607 | 0.5461 |
| 17ALPHA-HYDROXYPROGESTERONE | 0.3967 | 1.0207 | 1.4954 | 1.6019 | 0.5182 | NA | NA | NA | NA | 0.7382 | NA | 1.3002 | NA | 1.0062 | 0.2924 | 1.3890 | 1.4403 | 0.8375 |
| 17BETA-HYDROXYANDROSTAN-3-ONE | NA | NA | 1.3682 | 0.7918 | NA | NA | NA | 0.8304 | 1.2801 | 0.7762 | NA | 0.7055 | NA | NA | 1.0962 | 1.2244 | 0.9272 | NA |
| 1-AMINOCYCLOPROPANE-1-CARBOXYLATE | 1.3870 | 0.9694 | NA | 0.9582 | 1.1013 | 0.9946 | 0.7983 | 0.9915 | 1.4256 | 0.9689 | 0.7750 | 1.0999 | 0.8617 | 1.3321 | 1.1444 | 0.8871 | 0.8640 | 0.8069 |
| 2,3,5,6-TETRACHLOROPHENOL | NA | NA | NA | 0.6332 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.4327 | 1.9894 | 0.9447 |
| 2,3-DIHYDROXYBENZOATE | 0.8435 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.1611 | NA | NA | NA | 0.9954 | NA |
| 2,3-DIPHOSPHO-D-GLYCERIC ACID | 1.0720 | 0.7876 | 1.1986 | NA | NA | 0.6803 | NA | NA | 1.3981 | 0.5252 | NA | 0.9103 | NA | NA | NA | 1.2198 | 1.6174 | NA |
| 2`,4`-DIHYDROXYACETOPHENONE | 0.9079 | 1.3270 | 0.5343 | 0.7655 | 1.0167 | 1.3024 | 1.9047 | 1.5635 | 0.8913 | 0.4928 | 0.5097 | 1.9618 | 0.9774 | 0.7371 | 0.7076 | 1.1912 | 0.5175 | 0.9659 |
| 2,4-DIHYDROXYPTERIDINE | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| 2,5-DIOXOPIPERAZINE | 0.8178 | 1.1103 | 0.5383 | 1.1213 | NA | NA | NA | 1.1879 | NA | NA | NA | 0.7758 | 0.9475 | 0.8097 | 1.7828 | 1.5851 | 1.0471 | 0.6130 |
| 2-AMINOPHENOL | 0.7564 | 0.9383 | NA | NA | 1.0241 | 0.9782 | NA | 1.1118 | NA | NA | NA | NA | NA | NA | 1.1843 | 1.1036 | NA | NA |
| 2`-DEOXYADENOSINE | 0.8030 | 0.6648 | 0.9046 | 0.8551 | 0.6416 | 0.7246 | 1.5257 | 0.6322 | NA | 0.4384 | NA | 0.8809 | 0.5482 | 0.9683 | 1.2286 | 2.8393 | 1.1377 | 1.0145 |
| 2`-DEOXYADENOSINE 5`-DIPHOSPHATE | NA | NA | NA | NA | NA | 1.3158 | NA | NA | 0.8373 | NA | NA | 0.8468 | NA | NA | NA | NA | NA | NA |
| 2`-DEOXYCYTIDINE | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| 2`-DEOXYCYTIDINE 5`-DIPHOSPHATE | 1.0283 | 1.1887 | 0.9642 | 0.8993 | 1.0583 | 1.0118 | NA | 0.9263 | 1.1387 | NA | 1.2302 | 0.9072 | 1.0098 | 0.8994 | NA | NA | 0.8286 | 1.1931 |
| 2`-DEOXYCYTIDINE 5`-MONOPHOSPHATE | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| 2`-DEOXYURIDINE 5`-TRIPHOSPHATE | 1.1336 | 1.0759 | 1.0538 | 0.7706 | 1.0139 | 1.0997 | NA | 0.9562 | 0.8806 | 1.4044 | 0.9350 | 0.7717 | NA | 0.9769 | 0.7230 | 1.0584 | 1.1533 | 0.7241 |
| 2-HYDROXYBUTYRIC ACID | 0.8185 | 0.8235 | 0.9246 | 1.1370 | 0.8125 | 0.6995 | 0.6866 | 0.7015 | 1.0193 | 1.1161 | 0.8546 | 1.1629 | 0.7721 | 0.9283 | 0.8498 | 2.2709 | 0.7981 | 0.8593 |
| 2-HYDROXYPHENYLACETIC ACID | 0.1972 | 0.8803 | NA | NA | 0.4913 | NA | NA | NA | NA | NA | NA | NA | NA | 0.7481 | 1.7633 | 1.0965 | 1.4124 | 1.4107 |
| 2-HYDROXYQUINOLINE | 0.7300 | 0.7150 | 0.7692 | 0.6840 | 0.8298 | 0.8778 | 0.4034 | 0.6625 | 0.6940 | 0.5670 | 0.5095 | 0.8924 | 0.6817 | 0.7748 | 0.6541 | 4.4866 | 1.0102 | 0.7710 |
| 2-HYDROXYSTEARATE (*) | 1.6470 | 1.2848 | 0.5552 | 0.7559 | 1.5554 | 1.7795 | 1.3496 | 0.9582 | 0.8957 | 0.7198 | 0.6953 | 0.7161 | 1.1835 | 0.6868 | 0.7049 | 0.8353 | 1.0418 | 0.7623 |
| 2-OXOADIPATE | 0.9693 | 0.9866 | 0.9267 | 0.7689 | 1.0254 | NA | 0.9356 | 1.4827 | 1.1827 | NA | 0.7750 | 1.6849 | 1.3935 | 0.7971 | 0.6495 | 1.3341 | 0.8641 | 0.9127 |
| 2-QUINOLINECARBOXYLIC ACID | 0.4566 | 0.4770 | NA | 1.6433 | 0.2932 | 1.1902 | NA | NA | NA | NA | NA | NA | NA | NA | 0.4252 | 1.6816 | 2.2395 | NA |
| 3-(2-HYDROXYPHENYL)PROPANOATE | 1.1112 | 0.8461 | 0.8903 | 0.7937 | 1.0556 | 1.0924 | 0.4597 | 0.6182 | 1.2128 | 1.1735 | 0.7090 | 0.7319 | 1.1948 | 0.8487 | 1.2341 | 1.0620 | 1.3762 | 1.1887 |
| 3,4-DIHYDROXYBENZOATE | 0.9664 | 1.0426 | 0.9545 | 1.1571 | 1.0521 | 0.6211 | NA | 0.8775 | NA | 0.6883 | NA | 0.8697 | 0.7850 | 1.6649 | 0.7348 | 1.1378 | 1.0784 | 0.8122 |
| 3,4-DIHYDROXYPHENYL GLYCOL | 1.1872 | 0.3691 | 0.1908 | NA | NA | NA | NA | NA | NA | 0.7310 | NA | NA | 1.3886 | NA | NA | NA | NA | 1.5666 |
| 3-(4-HYDROXYPHENYL)LACTATE | 1.1168 | 0.8547 | 1.1636 | 0.9089 | 0.9852 | 1.0331 | 0.7666 | 0.8799 | 1.0728 | 1.0989 | 0.8848 | 1.0169 | 0.8460 | 0.8973 | 0.9633 | 0.9823 | 1.0780 | 1.1521 |
| 3,5-DIBROMO-4-HYDROXYBENZONITRILE | NA | NA | NA | NA | NA | NA | NA | NA | 0.4174 | NA | NA | 0.3411 | NA | NA | NA | 2.2415 | NA | NA |
| 3ALPHA-HYDROXY-5BETA-CHOLANATE | 0.8607 | 1.1332 | 1.3311 | 0.8944 | 0.6413 | NA | 0.2535 | 0.6055 | 0.6856 | 0.4592 | 0.4524 | 0.7786 | 1.7043 | 2.0259 | 0.8556 | 0.9953 | 0.7330 | 1.2987 |
| 3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE | 0.5851 | 1.0197 | 0.8118 | 1.3257 | 0.4370 | 0.4485 | 0.4828 | 0.8202 | 0.5989 | 0.6279 | 0.8278 | 1.0443 | 0.9111 | 1.1900 | 0.9482 | 1.3869 | 1.2560 | 1.4457 |
| 3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPANOATE | 1.3259 | 0.9559 | 1.4730 | 0.9544 | 0.6035 | 0.9383 | 0.5218 | 1.0378 | 0.6603 | 1.0751 | 1.1237 | 1.0489 | 0.2489 | 0.2229 | 0.8873 | 1.2790 | 1.0983 | 1.1220 |
| 3-DEHYDROSHIKIMATE | 0.7384 | 1.0174 | 0.9883 | 1.0537 | 0.9976 | 1.3097 | NA | 0.5146 | 0.6523 | 0.9689 | 1.0838 | 0.8391 | 1.0067 | 0.6308 | 1.7064 | 0.9732 | 1.0536 | 1.0081 |
| 3-HYDROXY-3-METHYLGLUTARATE | 1.6984 | 1.1300 | 0.9259 | 0.4309 | 0.5999 | 1.0001 | 0.1053 | 0.9817 | 0.6490 | 1.0934 | 0.1034 | 1.4600 | 0.5383 | 0.9737 | 1.0485 | 1.6985 | 0.5771 | 1.2258 |
| 3-HYDROXYANTHRANILATE | 0.9369 | 0.9789 | NA | 0.5146 | 0.8766 | 0.6899 | NA | 1.1701 | NA | NA | NA | NA | 1.3471 | NA | 1.0648 | 1.1264 | 0.8322 | 0.8940 |
| 3-HYDROXYBENZALDEHYDE | 1.1394 | 1.0750 | 1.1300 | 0.8923 | 1.0262 | 0.9275 | 0.8280 | 0.6166 | 0.9179 | 1.0088 | 0.5804 | 1.0833 | 0.7102 | 0.9559 | 0.8633 | 1.2758 | 1.0579 | 0.9385 |
| 3-HYDROXYBENZYL ALCOHOL | 1.0570 | 0.9263 | 0.6550 | 0.8631 | 0.3172 | 1.0062 | 0.1728 | 0.7661 | 1.0994 | 0.7370 | 0.5903 | 0.4373 | 1.4456 | 1.0974 | 2.3782 | 1.5833 | 1.0047 | 1.2158 |
| 3-HYDROXYBUTANOIC ACID | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| 3-HYDROXY-DL-KYNURENINE | 0.5828 | 0.7338 | 1.2479 | 1.0833 | 1.0097 | 1.1811 | 1.8966 | 1.2670 | 0.9489 | 1.0827 | 0.7845 | 0.9437 | 1.0230 | 0.8463 | 0.8478 | 1.0389 | 0.9752 | 0.7959 |
| 3-METHOXY-L-TYROSINE | 0.9503 | 1.0781 | 0.9280 | 0.9335 | 1.2522 | 1.1698 | 1.4355 | 1.1232 | 1.1633 | 1.2620 | 1.3289 | 1.0210 | 1.0990 | 0.9838 | 0.9457 | 0.8773 | 0.7858 | 0.8267 |
| 3-METHOXYTYRAMINE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
| 3-METHYL-2-OXINDOLE | 0.9975 | 0.9686 | 0.9671 | 1.0027 | 1.0704 | 0.7722 | 0.5436 | 0.9045 | 1.0088 | 1.0728 | 1.1436 | 1.0109 | 0.9577 | 0.8547 | 1.1684 | 1.0498 | 1.0244 | 1.1330 |
| 3-METHYL-2-OXOVALERIC ACID | NA | 1.0825 | 0.8112 | 0.7380 | 1.0018 | 1.3482 | NA | NA | NA | NA | NA | 0.3702 | NA | 0.8392 | 1.0355 | 1.6244 | 1.1327 | 0.8999 |
| 3-METHYLADENINE | 1.0963 | 0.8706 | 0.9516 | 1.1241 | NA | NA | NA | NA | 0.9400 | 0.6920 | NA | 1.3878 | 1.1469 | NA | 1.0743 | 0.7384 | 0.7945 | 1.2242 |
| 3-NITRO-L-TYROSINE | NA | NA | NA | NA | 1.2560 | NA | NA | NA | NA | NA | NA | 1.0167 | 0.8636 | NA | NA | NA | NA | NA |
| 3-SULFINO-L-ALANINE | 0.9302 | 0.9699 | 0.6974 | 1.0753 | 0.6680 | 0.8194 | 1.1241 | 1.1945 | 0.9022 | 0.6899 | 1.4255 | 1.1284 | 1.3672 | NA | 0.7219 | 1.2566 | 1.3057 | 1.0017 |
| 4-ACETAMIDOBUTANOATE | 1.0620 | 1.0540 | 0.6928 | 0.6534 | 1.1502 | 1.0630 | 3.1666 | 0.9963 | 0.5582 | 1.0833 | NA | 0.6613 | 1.2473 | 0.2467 | 2.1572 | 1.3499 | 1.1012 | 0.9287 |
| 4-AMINOBENZOATE | 1.0378 | 0.9080 | 1.0253 | 1.0677 | 0.9613 | 0.8918 | 0.9020 | 1.0671 | 1.1923 | 1.0853 | 0.9549 | 0.7847 | 0.8974 | 0.8126 | 1.2982 | 1.0373 | 1.0420 | 0.9428 |
| 4-ANDROSTEN-3BETA,17BETA-DIOL DISULFATE (*) | 0.4716 | 0.8337 | 0.6030 | 1.0198 | 0.6806 | 0.5241 | 0.3748 | 0.8799 | 0.8098 | 0.6722 | 0.4698 | 1.1248 | 1.1211 | 1.2575 | 1.1982 | 1.6836 | 1.2460 | 1.7835 |
| 4-COUMARATE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| 4-GUANIDINOBUTANOIC ACID | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| 4-HYDROXY-2-QUINOLINECARBOXYLIC ACID | 0.9147 | 0.6444 | 0.9968 | 1.0772 | 0.6610 | 0.7618 | 0.5813 | 0.7457 | 1.2454 | 1.1761 | 0.8078 | 0.8979 | 1.0523 | 0.9466 | 1.3253 | 1.2777 | 1.1512 | 1.3413 |
| 4-HYDROXY-3-METHOXY-BENZENEMETHANOL | 0.8346 | 1.0600 | 0.9237 | 0.7385 | 0.5515 | 1.5001 | 0.8213 | NA | 0.5450 | 1.2490 | NA | 2.5904 | 0.8414 | 1.1582 | 0.8127 | 0.8719 | NA | 0.7312 |
| 4-HYDROXY-3-METHOXYMANDELIC ACID | 6.5712 | 0.8768 | 0.2934 | 0.7257 | 0.4816 | 0.4856 | NA | 0.2268 | 0.5062 | 0.2999 | NA | 0.3607 | NA | 0.5132 | 0.2083 | 0.4438 | 1.4192 | 4.1247 |
| 4-HYDROXY-3-METHOXYPHENYLGLYCOL | NA | 1.0463 | 1.6515 | 0.9760 | 0.6617 | NA | 0.9621 | 0.7565 | NA | 1.2196 | NA | 1.3491 | NA | NA | 0.7697 | 0.5819 | NA | NA |
| 4-HYDROXYBENZALDEHYDE | 1.1735 | 1.0385 | 0.8812 | 0.8635 | 0.5806 | 0.9708 | 0.6808 | 0.3267 | 0.9929 | 0.8205 | 0.9086 | 0.6467 | 1.1797 | 0.8113 | 0.7693 | 1.9854 | 0.8969 | 0.9030 |
| 4-HYDROXY-L-PHENYLGLYCINE | NA | NA | NA | NA | NA | NA | NA | 2.0440 | NA | 0.3161 | NA | 0.1582 | NA | 0.4377 | NA | NA | NA | NA |
| 4-HYDROXYPHENYLACETATE | 0.6714 | 0.9584 | 1.1338 | 1.0936 | 1.2111 | 0.8034 | 0.4750 | 1.0114 | 1.0619 | 0.8965 | NA | 0.9530 | 1.3598 | 0.7569 | 1.0680 | 0.6072 | 1.0583 | 1.1458 |
| 4-NITROPHENOL | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| 4-PYRIDOXATE | 1.0671 | 1.1140 | 1.1305 | 0.9812 | 0.5956 | 0.6957 | 1.3329 | 1.0380 | 0.7222 | 0.8596 | 0.7616 | 0.8035 | 0.9645 | 0.9412 | 1.0893 | 1.0299 | 0.9986 | 1.1481 |
| 4-VINYLPHENOL SULFATE (*) | 1.2024 | 1.0133 | 1.0915 | 0.8302 | 1.1990 | 0.7554 | 0.7200 | 1.1632 | 0.9818 | 0.7816 | 1.1465 | 0.8342 | 1.0694 | 0.7254 | 1.2719 | 1.0710 | 1.0490 | 0.9607 |
| 5,6-DIHYDROURACIL | 0.9621 | 0.9678 | 1.0150 | 1.0156 | 0.9917 | 0.9609 | 0.9920 | 1.0053 | 1.0238 | 1.0280 | 1.0590 | 1.0373 | 0.9851 | 1.0061 | 1.0393 | 1.0317 | 0.9670 | 1.0105 |
| 5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANOSYL 5`-MONOPHOSPHATE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| 5-AMINOLEVULINIC ACID | 0.5353 | 0.5056 | 1.3309 | 1.0418 | 1.1497 | 0.5929 | NA | 1.0395 | 1.2640 | 1.0833 | 0.8233 | 1.2332 | 0.6813 | 1.0761 | 1.2359 | 1.8231 | 0.2464 | 1.0038 |
| 5-HYDROXYINDOLE-3-ACETIC ACID | 1.0096 | 0.9915 | 1.0062 | 0.9891 | 1.0026 | 0.9885 | 0.9389 | 0.9626 | 1.0128 | 1.0122 | 1.0560 | 0.9585 | 0.9814 | 1.0277 | 0.9910 | 1.0614 | 0.9890 | 0.9973 |
| 5-HYDROXY-L-TRYPTOPHAN | 0.7024 | 1.2244 | 0.8151 | 0.8000 | 1.2741 | 1.1586 | NA | 0.5032 | NA | 0.9942 | NA | NA | NA | NA | 0.8710 | NA | 1.2708 | NA |
| 5-HYDROXYMETHYLURACIL | NA | NA | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| 5`-METHYLTHIOADENOSINE | NA | 0.7310 | 0.9121 | 1.1333 | NA | NA | NA | NA | NA | NA | NA | NA | 1.1130 | NA | 1.5314 | 0.5787 | NA | 0.9776 |
| 5-OXO-PROLINE | 0.9044 | 0.9444 | 0.9488 | 0.9637 | 0.9427 | 0.9711 | 1.0190 | 1.0470 | 0.9900 | 0.9929 | 0.9369 | 1.0586 | 1.0502 | 1.0494 | 1.1080 | 1.2094 | 0.9952 | 1.0278 |
| 5-PHOSPHO-ALPHA-D-RIBOSE | 0.6805 | 0.8420 | NA | 0.6109 | NA | 1.1078 | NA | 1.1609 | NA | NA | 1.8115 | 1.0569 | 1.2213 | NA | NA | 1.0074 | NA | 0.8745 |
| 6-CARBOXYHEXANOATE | 0.9972 | 1.0031 | 1.0219 | 1.0717 | 0.9366 | NA | NA | 1.2385 | 1.1761 | 1.0292 | NA | NA | 0.9556 | 0.5240 | 1.1335 | 0.8057 | 0.8942 | 0.8911 |
| 6-HYDROXYNICOTINATE | 1.0792 | 0.8069 | 1.3112 | 0.9456 | 0.7740 | 1.2068 | 1.9359 | 0.7587 | 0.9716 | 0.6982 | NA | 0.5152 | 0.8888 | 0.8061 | 0.6254 | 0.7190 | 1.1955 | 0.9873 |
| 6-PHOSPHOGLUCONIC ACID | 0.7732 | 0.9665 | 0.8928 | 0.8796 | 0.5914 | NA | NA | NA | 1.3625 | 1.1154 | NA | NA | 1.1144 | 1.0559 | NA | NA | NA | 1.5247 |
| 7-ALPHA-HYDROXY-3-OXO-4-CHOLESTENOATE (*) | 0.7609 | 0.9183 | 0.8449 | 0.9693 | 1.1119 | 1.1024 | 0.7473 | 0.9184 | 1.1807 | 1.1285 | 0.7584 | 0.9827 | 1.2690 | 1.1138 | 1.0446 | 1.0750 | 1.1203 | 1.1078 |
| ACENAPHTHENEQUINONE | NA | NA | NA | 1.0428 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.9572 | NA | NA |
| ACETYLENEDICARBOXYLATE | NA | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| ACONITATE (*) | 1.1866 | 0.9390 | 0.9426 | 0.8837 | 1.1503 | 1.0424 | 0.7456 | 1.0102 | 1.2245 | 0.9208 | 0.6893 | 0.9355 | 1.1475 | 0.5931 | 1.6741 | 0.9479 | 1.1706 | 0.8433 |
| ADENINE | 1.0710 | 0.9955 | 0.9303 | 1.0087 | 1.2655 | 1.1651 | 0.5436 | 1.0067 | 0.9632 | 0.9801 | 0.7224 | 0.9149 | 0.9849 | 0.8140 | 1.3476 | 1.1029 | 0.9259 | 0.9027 |
| ADENOSINE | 1.8048 | 1.8075 | 2.2010 | 0.7087 | 0.9842 | 0.8446 | NA | 0.6037 | 1.4471 | NA | 0.4872 | 0.7685 | 0.8578 | 1.0487 | NA | 0.9087 | 0.4783 | 1.3083 |
| ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATE | 0.7900 | 0.9039 | 1.3946 | 0.9330 | 0.8156 | 0.9022 | 1.1613 | 0.6086 | 1.4905 | 0.9612 | 0.5520 | 0.6683 | 0.6901 | 1.2110 | 1.0626 | 0.9385 | 1.0590 | 1.0744 |
| ADENOSINE 5`-DIPHOSPHATE | NA | NA | 0.9816 | 1.2113 | NA | NA | NA | NA | 0.9538 | 0.9592 | NA | NA | NA | 0.9584 | NA | NA | 0.9161 | 0.8083 |
| ADENOSINE 5`-MONOPHOSPHATE | 1.2797 | NA | 1.6382 | 0.8452 | 0.4014 | NA | NA | NA | NA | 0.7699 | 0.2317 | NA | NA | 0.9579 | NA | 0.1605 | NA | 0.8863 |
| ADIPIC ACID | NA | NA | 0.6122 | 1.5441 | NA | NA | 0.5858 | NA | NA | 1.6916 | NA | NA | NA | NA | NA | 1.4512 | 0.5576 | NA |
| ALDOSTERONE | 0.6249 | 0.6339 | 0.8664 | NA | NA | NA | NA | NA | NA | NA | NA | 0.8611 | NA | NA | NA | 2.6161 | NA | 0.6650 |
| ALLANTOIN | 1.0601 | 0.6553 | 0.6856 | 0.6031 | 1.2456 | 1.2138 | NA | 1.2100 | NA | 0.5761 | NA | 4.0774 | 0.4352 | NA | 0.8691 | 0.7163 | 0.9359 | 0.4195 |
| ALPHA-KETO-GLUTARATE | 0.9672 | 0.9384 | 1.1348 | 1.1325 | 0.9629 | 0.7747 | 0.6044 | 0.8405 | 1.0141 | 1.0897 | 1.0172 | 0.9277 | 0.9305 | 1.1317 | 1.0706 | 0.9118 | 0.8745 | 1.0919 |
| ALPHA-TOCOPHEROL (*) | 1.5261 | 1.9546 | 0.5290 | 0.5400 | 1.0579 | 1.8003 | 1.2301 | 1.2900 | 0.8245 | 0.5281 | 0.1706 | 0.6399 | 1.3999 | 0.7703 | 0.3624 | 0.6063 | 0.7660 | 0.7695 |
| AMINOBUTANOIC ACID | 0.7580 | 1.1043 | 0.9504 | 1.0015 | 0.7303 | 0.9313 | 2.3603 | 1.2454 | 0.5839 | 0.5608 | NA | 1.6039 | 0.7237 | 0.9749 | 0.8361 | 1.2654 | 0.9700 | 0.8023 |
| AMINOHEXANOIC ACID | 0.8088 | 1.1000 | 0.8002 | 1.1120 | NA | NA | NA | NA | NA | 0.8312 | NA | NA | NA | NA | NA | 1.2015 | NA | 0.9775 |
| AMINOHYDROXYBUTANOIC ACID | 0.9680 | 0.9068 | 1.1726 | 0.9685 | 1.0195 | 1.1034 | 0.9584 | 1.0421 | 1.0390 | 1.0584 | 1.1908 | 1.1169 | 0.9648 | 0.8633 | 0.9472 | 1.0184 | 1.0505 | 0.9132 |
| AMINOPENTANOIC ACID | 0.8932 | 0.9938 | 0.9602 | 1.0374 | 0.9741 | 1.0209 | 0.9262 | 0.9985 | 0.9923 | 1.0232 | 1.0143 | 1.0366 | 0.9487 | 0.9416 | 1.0454 | 1.0359 | 1.0102 | 1.0705 |
| ANANDAMIDE | NA | NA | 1.1368 | 0.4489 | NA | NA | NA | NA | NA | 1.5497 | NA | 1.8177 | NA | NA | NA | 0.0469 | NA | NA |
| ANDROSTERONE SULFATE (*) | 0.4589 | 1.2676 | 0.6360 | 1.4582 | 0.6928 | 0.5071 | 0.7499 | 1.0093 | 0.8143 | 0.6203 | 1.0199 | 1.2160 | 1.2478 | 1.4860 | 0.7729 | 1.0882 | 0.9139 | 1.0743 |
| ANILINE-2-SULFONIC ACID | 1.2220 | 0.9912 | 0.9689 | 0.7767 | 0.7758 | 0.9574 | 1.1952 | 1.4123 | 0.9809 | 0.7029 | 0.7899 | 1.6582 | 1.0033 | 0.7958 | 0.9343 | 1.1741 | 1.0783 | 0.7018 |
| ANTHRANILATE | NA | 1.0380 | 1.1108 | NA | NA | NA | NA | 0.9825 | NA | 0.8245 | NA | NA | NA | NA | NA | NA | NA | 1.0718 |
| ARACHIDIC ACID | 1.3301 | 1.3388 | 0.7606 | 1.0645 | NA | NA | NA | 0.2022 | NA | 0.9514 | NA | 1.0329 | 0.5168 | 0.7408 | 0.2701 | 0.3128 | 1.7534 | 1.0353 |
| ARACHIDONATE | 1.5593 | 1.2054 | 0.5057 | 0.6073 | 1.4482 | 2.1482 | 2.5214 | 1.0085 | 0.6543 | 0.6186 | 0.4367 | 0.5128 | 1.0517 | 0.5369 | 1.0874 | 1.0506 | 1.5832 | 0.6614 |
| ARACHIDONOYLGLYCEROPHOSPHOETHANOLAMINE (*) | 2.0892 | 1.3906 | 0.5080 | 0.4942 | 1.3665 | 2.2245 | 2.4425 | 1.0035 | 0.5121 | 0.4183 | 0.2348 | 0.3986 | 1.1447 | 0.5329 | 0.7103 | 0.7823 | 1.4526 | 0.6990 |
| ARACHIDONOYLGLYCEROPHOSPHOINOSITOL (*) | 1.7184 | 1.1823 | 0.5239 | 0.6776 | 1.4203 | 1.9092 | 1.9985 | 1.0337 | 0.7570 | 0.6577 | 0.4171 | 0.5876 | 0.8794 | 0.6103 | 0.8700 | 0.9818 | 1.5388 | 0.7132 |
| ARGININE | 0.9543 | 0.9947 | 1.0154 | 1.0386 | 0.8719 | 0.9486 | 1.0320 | 0.9662 | NA | NA | NA | 1.0356 | 1.0023 | NA | NA | 1.0629 | 0.9640 | 1.0035 |
| ASPARAGINE | NA | 0.9611 | 1.6203 | 0.7883 | NA | NA | NA | NA | NA | NA | 0.9907 | NA | NA | NA | NA | 1.3009 | 0.5383 | NA |
| ASPARTATE | 0.8957 | 0.9271 | 0.8906 | 1.0651 | 1.0775 | 1.0532 | 0.9411 | 1.1834 | 1.0490 | 0.9137 | 0.6047 | 1.1903 | 1.0048 | 0.8215 | 1.5072 | 1.1167 | 0.9581 | 0.8828 |
| AZELAIC ACID | 0.7439 | 0.8699 | 1.1875 | 1.1634 | 0.8273 | 0.8769 | 1.8146 | 1.0087 | 0.8407 | 1.0731 | 0.6266 | 0.9677 | 0.9306 | 0.8330 | 1.2745 | 1.0500 | 1.0411 | 1.0486 |
| B-ALANYL-N(PAI)-METHYL-L-HISTIDINE | NA | 0.9679 | 0.7172 | NA | NA | NA | NA | NA | 0.5296 | 0.5099 | NA | NA | 2.7372 | 1.2381 | NA | NA | NA | 0.6149 |
| BEHENIC ACID | 2.6485 | 1.4341 | 0.3391 | 0.5420 | NA | 1.5416 | 1.0941 | 3.0563 | 0.4567 | 0.4505 | NA | 0.6225 | 0.2819 | 0.2739 | 0.7453 | 1.3087 | 0.9107 | 1.1537 |
| BENZOATE | 1.2620 | 1.0900 | 1.6848 | 0.9101 | NA | 0.8998 | NA | 0.8274 | 0.5294 | NA | 0.4315 | NA | 0.5470 | NA | 0.4966 | 0.5910 | 0.7250 | 1.3428 |
| BENZOIN | NA | 0.6834 | 0.7995 | 0.9685 | NA | NA | NA | 1.6797 | NA | NA | NA | NA | NA | NA | 1.4450 | NA | 1.3808 | 0.3383 |
| BILIVERDIN | 1.3265 | 0.9184 | 0.8169 | 0.9013 | 0.5515 | 0.3233 | NA | NA | NA | NA | NA | NA | NA | NA | 1.0085 | 0.7218 | NA | 1.9152 |
| BIOTIN | 1.2489 | 0.9150 | 1.5597 | 1.1147 | NA | 0.8757 | NA | 1.1595 | 0.8589 | 0.7692 | 0.9876 | 0.8854 | 0.7529 | 1.0623 | 1.2176 | 2.3216 | 0.5697 | 0.6858 |
| BOC-A-(1-NAPHTHYLMETHYL)-DL-PRO-OH | 0.8742 | 0.9747 | 1.1666 | 0.9347 | 0.7350 | NA | 0.7066 | 1.3788 | NA | 0.6640 | NA | 3.1898 | 0.6039 | NA | 1.7444 | 0.7005 | 0.4617 | 1.2811 |
| BOC-ALA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| BOC-ALA-OH | 0.9904 | 0.9663 | 1.0565 | 0.9771 | 0.9364 | 0.9958 | 0.8932 | 0.9560 | 0.9455 | 0.9753 | 1.0290 | 0.9732 | 1.0153 | NA | 0.9801 | 1.2029 | 0.9718 | 1.0313 |
| BOC-ASN | 0.9685 | 0.9843 | 1.0112 | 1.0026 | 0.9936 | 0.9732 | 0.9725 | 1.0240 | 1.0283 | 1.0282 | 1.0525 | 1.0141 | 0.9993 | 1.0007 | 1.0503 | 1.0220 | 0.9619 | 0.9990 |
| BOC-ASN-OH | 0.9684 | 0.9844 | 1.0112 | 1.0028 | 0.9932 | 0.9733 | 0.9727 | 1.0242 | 1.0280 | 1.0285 | 1.0526 | 1.0144 | 0.9993 | 1.0009 | 1.0502 | 1.0209 | 0.9617 | 0.9994 |
| BOC-ASP-OH | 0.9332 | 0.9260 | 0.9798 | 1.0440 | 1.0062 | 0.9015 | 0.9326 | 1.0020 | 1.0603 | 1.0750 | 1.0003 | 0.9665 | 0.9432 | 0.9815 | 1.0894 | 1.1167 | 0.9695 | 1.0305 |
| BOC-GLY-OH | NA | NA | 0.6791 | 0.9055 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.4399 | 1.0700 | NA | NA |
| BOC-HIS-OH | 0.7897 | 0.7143 | 0.3899 | 0.7456 | 1.0155 | NA | NA | 1.5265 | NA | 0.7397 | 1.2708 | NA | NA | NA | NA | 1.4548 | 1.5771 | 0.4758 |
| BOC-MET-OH | 0.5800 | 0.8556 | 0.7675 | 1.0551 | 0.9778 | 0.8157 | 0.9479 | 0.9859 | 1.0078 | 0.7194 | 1.6187 | 2.2451 | 0.7255 | 1.0652 | 1.8138 | 1.1279 | 1.0167 | 1.1285 |
| BOC-PHE-OH | 1.0132 | 0.9965 | 1.0005 | 0.9808 | 0.9973 | 0.9945 | 0.9306 | 0.9657 | 1.0071 | 1.0020 | 1.0432 | 0.9502 | 0.9932 | 1.0204 | 0.9912 | 1.0961 | 0.9861 | 0.9865 |
| BOC-PRO-OH | 0.9552 | 0.7731 | 1.1458 | 0.7900 | 1.4417 | 0.5865 | NA | 1.4882 | 1.1473 | 0.6355 | NA | 4.8530 | 1.2765 | NA | 0.3302 | 0.9263 | 0.9168 | 0.9300 |
| BOC-SER-OH | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| BOC-THR-OH | 0.0418 | NA | NA | NA | NA | NA | NA | NA | 0.0756 | NA | NA | 2.3723 | NA | NA | NA | 1.5103 | NA | NA |
| [C13] METHIONINE | 1.0015 | 1.0058 | 1.0071 | 1.0125 | 1.0044 | 0.9808 | 1.0246 | 0.9992 | 1.0096 | 0.9951 | 1.0090 | 1.0368 | 1.0196 | 0.9856 | 1.0103 | 0.9713 | 0.9901 | 0.9753 |
| [C13] PHENYLALANINE | 0.9474 | 1.0105 | 1.0158 | 1.0275 | 0.9442 | 0.9691 | 1.0227 | 0.9960 | 1.0537 | 1.0253 | 1.0283 | 1.0625 | 1.0179 | 0.9790 | 1.0722 | 0.9975 | 0.9464 | 0.9638 |
| [C13] TYROSINE | 1.0077 | 1.0052 | 1.0257 | 1.0048 | 0.9999 | 0.9486 | 1.0237 | 0.9987 | 1.0271 | 0.9795 | 1.0084 | 1.0377 | 1.0110 | 0.9763 | 1.0237 | 0.9661 | 0.9981 | 0.9771 |
| [C13] VALINE | 1.0235 | 1.0082 | 1.0125 | 0.9890 | 1.0038 | 0.9493 | 1.0071 | 1.0169 | 1.0175 | 0.9774 | 1.0050 | 1.0229 | 1.0259 | 0.9844 | 0.9981 | 0.9983 | 1.0010 | 0.9705 |
| CAPECITABINE | 0.1831 | 0.5708 | 1.6334 | 0.6599 | 0.6342 | NA | NA | 0.4472 | 0.2955 | 0.3732 | 2.1684 | NA | NA | 0.8193 | NA | 1.9223 | 0.3164 | 1.8199 |
| CAPRYLIC ACID | 0.9500 | 1.0555 | 1.1112 | 1.0879 | 1.0084 | 0.7808 | 1.5474 | 1.0034 | 1.1359 | 0.9545 | 0.8475 | 1.1742 | 0.9282 | 0.9895 | 0.9005 | 0.8200 | 0.9319 | 0.9115 |
| CARNOSINE | 1.0974 | 1.0416 | 1.0438 | 0.7208 | 0.7668 | 1.6908 | NA | 1.4195 | NA | NA | NA | 0.7599 | 1.1591 | NA | NA | 1.1117 | 0.7917 | NA |
| CATECHOL | 1.0986 | 1.5780 | 0.9019 | 0.7791 | 0.8106 | 0.6630 | 1.5415 | 1.2288 | 0.5568 | 0.9672 | 0.7638 | 0.8353 | 1.0899 | 0.6750 | 0.8379 | 1.1260 | 0.9063 | 0.8182 |
| CHENODEOXYCHOLATE | 1.2858 | 0.9122 | 0.8118 | 1.1132 | 0.9714 | 0.9992 | 0.2174 | 1.6511 | 0.4377 | 0.4692 | 0.3649 | 1.2106 | 1.2054 | 1.5831 | 1.0482 | 1.2300 | 0.5896 | 0.9189 |
| CHOLATE | 1.5253 | 0.9568 | 0.9957 | 0.8324 | 0.8010 | 0.7320 | 0.7361 | 1.3112 | 0.7576 | 0.8054 | 0.5494 | 1.0869 | 0.9121 | 1.0203 | 1.4437 | 0.8561 | 1.0994 | 1.0462 |
| CHOLESTEROL (*) | 0.8904 | 0.9195 | 0.6417 | 1.0459 | 1.0133 | 0.9639 | 1.1263 | 1.1902 | 0.9814 | 0.8690 | 0.5473 | 1.0693 | 1.3701 | 1.2058 | 0.8414 | 1.2259 | 1.2049 | 1.0655 |
| CHOLESTEROL SULFATE | 0.1496 | 0.1166 | NA | 0.0239 | 0.0129 | 0.6872 | NA | NA | NA | NA | NA | NA | NA | NA | NA | 4.5751 | 1.4119 | 0.5033 |
| CHOLINE PHOSPHATE | 1.8212 | 1.2055 | 0.9222 | 0.5918 | NA | NA | NA | 0.4966 | 0.6864 | NA | 1.0319 | NA | 0.6646 | NA | NA | NA | NA | NA |
| CINNAMIC ACID | 1.3225 | 1.1141 | NA | 1.0815 | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.7620 | NA | NA | 0.8407 | 0.9597 |
| CINNAMOYLGLYCINE (*) | 0.9808 | 1.0988 | 0.8468 | 0.9532 | 1.0614 | 1.1182 | 0.8965 | 1.0913 | NA | 0.8972 | 0.8528 | 0.9054 | 0.9940 | 0.9075 | 1.2740 | 0.9608 | 0.9394 | 0.9097 |
| CIS-11-EICOSENOIC ACID | 0.0226 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.0205 | 2.4671 | NA | NA |
| CIS-7,10,13,16-DOCOSATETRAENOIC ACID | 1.1168 | 1.1345 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.3914 | 1.5801 | NA |
| CITRATE | 1.0386 | 0.7661 | 1.2044 | 0.9351 | 1.1440 | 0.9663 | 0.7513 | 0.9634 | 1.5251 | 1.2907 | 0.8078 | 1.0381 | 0.7373 | 0.7774 | 1.2941 | 0.9146 | 1.2537 | 0.8344 |
| CITRULLINE | 1.0654 | 1.0423 | 0.9822 | 0.8790 | 1.1279 | 1.0256 | 0.7565 | 1.0383 | 0.8617 | 0.7565 | 0.8192 | 0.9446 | 1.2000 | 0.9496 | 1.2115 | 1.0972 | 1.0515 | 0.9472 |
| COENZYME A | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.9834 | NA | 1.0166 | NA |
| CORTICOSTERONE | 1.0018 | 1.0632 | 0.4262 | 2.0448 | NA | 1.4405 | 1.3386 | 1.1132 | 0.1040 | 1.3300 | NA | 0.9578 | 1.4197 | 1.7584 | NA | 0.8060 | 0.4461 | 0.2109 |
| CORTISOL 21-ACETATE | 0.2472 | NA | 0.2192 | 1.4483 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.7172 | 1.1923 | 2.1758 |
| CREATINE | 0.9923 | NA | 0.9945 | 0.9642 | 1.2289 | 1.4528 | NA | 0.9037 | NA | 0.8505 | NA | NA | NA | 0.8457 | NA | NA | NA | 0.7675 |
| CYCLOHEPTANECARBOXYLIC ACID | NA | 0.5381 | 0.3751 | NA | NA | 0.4622 | NA | 0.3633 | NA | NA | NA | 9.1077 | 0.3572 | NA | NA | 0.5596 | 0.5109 | NA |
| CYCLOHEX-1-ENECARBOXYLIC ACID | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.2944 | NA | NA | NA | NA | 0.7056 | NA |
| CYS-GLY | 1.1847 | 0.9652 | 1.0026 | 0.9111 | 0.8836 | 0.8333 | 0.8153 | 0.9679 | 1.0033 | 1.0832 | 0.7755 | 1.0851 | 1.2024 | 1.0762 | 1.1000 | 1.0792 | 1.2796 | 0.8807 |
| CYSTATHIONINE | 1.5285 | 1.2158 | 0.9039 | 0.8928 | 1.2735 | 1.2668 | 0.9852 | 1.1753 | 0.8935 | 0.8873 | 0.9702 | 0.8028 | 0.8984 | 0.8625 | 0.6724 | 1.1346 | 0.7625 | 0.7168 |
| CYSTEIC ACID | 1.0545 | 1.3238 | 1.0053 | 0.7970 | 0.9637 | 0.6675 | NA | 1.1110 | 0.7924 | NA | NA | 0.6385 | 0.9273 | 0.9598 | NA | NA | 1.5067 | 0.6339 |
| CYSTINE | NA | NA | NA | NA | NA | NA | NA | NA | 1.2165 | NA | NA | NA | 0.8626 | NA | 1.3061 | 0.8895 | NA | NA |
| CYTIDINE 2`,3`-CYCLIC MONOPHOSPHATE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.8671 | NA | 1.1329 | NA |
| CYTIDINE 5`-DIPHOSPHATE | 0.6263 | 0.8647 | 1.0928 | 0.8067 | 1.0213 | NA | 0.8203 | 0.7230 | NA | 1.2774 | NA | NA | 1.0297 | 1.2183 | 1.4824 | 0.9466 | 1.2850 | 1.2226 |
| CYTIDINE 5`-DIPHOSPHOCHOLINE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| CYTIDINE 5`-TRIPHOSPHATE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| DECANOATE | 1.0308 | 1.5027 | 1.0348 | 1.0218 | 0.7271 | 0.6157 | 3.0758 | 1.0825 | 0.9407 | 0.8921 | 0.6424 | 0.9080 | 1.0187 | 0.8644 | 0.9562 | 0.6328 | 0.8101 | 0.7690 |
| DEHYDROISOANDROSTERONE 3-SULFATE | 0.5721 | 1.0348 | 0.7921 | 1.2501 | 0.4262 | 0.4376 | 0.4709 | 0.8010 | 0.5545 | 0.6123 | 0.7992 | 0.9755 | 0.8903 | 1.1388 | 0.9247 | 1.4504 | 1.2933 | 1.2965 |
| DEOXYCORTICOSTERONE ACETATE | 0.6769 | 0.6656 | 1.6142 | 0.9161 | 0.8868 | 0.8639 | NA | 1.2146 | NA | 0.0593 | NA | 1.7578 | 0.9936 | 1.0510 | 0.5441 | 1.6193 | 0.7072 | 0.9437 |
| DEOXYRIBOSE | 1.1020 | 1.0879 | 0.8064 | 0.8290 | 1.2567 | 1.2453 | 1.1941 | 1.0360 | 0.8822 | 0.4628 | 0.8644 | 0.8921 | 1.0673 | 0.8745 | 1.3325 | 1.3953 | 0.9154 | 0.9267 |
| DEOXYURIDINE | 0.6847 | 0.9646 | 0.7545 | 1.1148 | NA | NA | NA | NA | NA | NA | NA | 1.0010 | NA | NA | 0.8486 | 1.4248 | NA | 1.3721 |
| DESMETHYLNAPROXEN SULFATE (*) | 1.1675 | 1.4533 | 0.3390 | 0.3846 | 0.7478 | 2.4682 | 0.7953 | 1.5441 | 0.3904 | 1.4392 | 0.5652 | 0.7671 | 1.4588 | 0.5217 | 0.1893 | 1.7009 | 1.7055 | 0.5014 |
| DETHIOBIOTIN | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.3224 | NA | NA | NA | NA | 0.6776 |
| DIETHYL 2-METHYL-3-OXOSUCCINATE | 0.8611 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.1389 | NA |
| DIHEXOSE | 1.4201 | 1.4821 | 0.7545 | 0.5589 | 1.2415 | 1.0153 | 0.8876 | 1.3783 | 0.6119 | 0.6547 | 0.6022 | 0.4825 | 1.4554 | 0.7620 | 1.7740 | 1.1476 | 0.5432 | 0.7010 |
| DIHOMO-LINOLEATE (*) | 1.4276 | 1.1955 | 0.6138 | 0.7663 | 1.4118 | 2.3466 | 3.4544 | 0.9713 | 0.8970 | 0.8866 | 0.3221 | 0.7720 | 0.8405 | 0.5292 | 0.8151 | 0.8298 | 1.2457 | 0.6167 |
| DIHOMO-LINOLENATE (*) | 1.5690 | 1.3430 | 0.4773 | 0.6256 | 1.3207 | 2.7124 | 3.2581 | 0.9813 | 0.6387 | 0.6711 | 0.3149 | 0.5422 | 0.9217 | 0.4608 | 0.8696 | 1.0450 | 1.3874 | 0.5129 |
| DIHYDROXYACETONE PHOSPHATE | NA | NA | NA | NA | NA | NA | NA | 0.7193 | 0.9918 | 1.5156 | NA | NA | NA | NA | NA | NA | 0.7733 | NA |
| DIMETHYLBENZIMIDAZOLE | 0.1977 | 0.2608 | 1.9310 | 1.6568 | NA | 0.3230 | 0.2457 | NA | NA | NA | NA | NA | NA | 1.1338 | 0.2701 | 1.5447 | NA | 0.7319 |
| DIMETHYLURATE (*) | 0.4630 | 0.7800 | 1.3325 | 1.1764 | 0.5806 | NA | 1.3660 | 0.1581 | 0.5201 | 0.5845 | 4.6500 | 0.4203 | 0.5474 | 0.9413 | 0.8577 | 0.8348 | 1.5130 | 1.3695 |
| DIMETHYLXANTHINE | 1.3221 | 0.5679 | NA | NA | NA | NA | NA | 1.1149 | NA | NA | NA | 1.8032 | NA | NA | NA | 1.1789 | NA | 0.2332 |
| DIMETHYLXANTHINE (*) | 3.7680 | 1.6561 | 0.8362 | 1.1657 | NA | NA | 0.8940 | 1.3486 | 0.3487 | 0.7005 | 2.4611 | 0.4801 | 0.4932 | 0.5454 | 0.8275 | 0.7100 | 1.3044 | 0.7225 |
| DOCOSADIENOATE (*) | 1.1291 | 1.4005 | 0.4752 | 0.7160 | 1.0131 | 1.8942 | 2.2146 | 0.9933 | 0.8491 | 0.9166 | 0.2773 | 0.7845 | 1.1536 | 0.5398 | 0.9033 | 1.2387 | 1.1497 | 0.7152 |
| DOCOSAHEXAENOIC ACID | NA | 0.8342 | 0.9380 | 1.1447 | NA | 1.1318 | NA | 0.3431 | NA | NA | 0.8300 | NA | NA | NA | NA | 0.5875 | 1.6679 | NA |
| DOCOSAPENTAENOATE (*) | 1.5468 | 1.1525 | 0.6317 | 0.6690 | 1.3576 | 2.4580 | 3.2642 | 1.0004 | 0.8230 | 0.8327 | 0.3478 | 0.6691 | 0.8985 | 0.5098 | 0.8757 | 1.0531 | 1.2163 | 0.5911 |
| DODECANEDIOATE (*) | 0.9325 | 1.0388 | 0.9549 | 1.0053 | 1.1804 | 1.0773 | NA | 1.1775 | 1.1553 | 1.3203 | NA | 1.0221 | 0.8822 | 0.9668 | 0.8371 | 0.7293 | 0.9007 | 1.1418 |
| DODECENOATE (*) | 0.8406 | 0.8583 | 1.3524 | 1.3730 | 1.0087 | 0.7889 | 1.0500 | 0.7047 | 1.5422 | 1.7233 | 0.7949 | 1.3031 | 0.5890 | 0.6639 | 0.5541 | 0.6631 | 0.9251 | 0.8339 |
| EDTA (*) | 1.1478 | 1.1188 | 0.6365 | 1.1007 | NA | 0.9905 | NA | NA | 0.5635 | NA | NA | NA | NA | 0.8659 | 1.0523 | 0.7234 | 1.0070 | 1.4158 |
| ERUCIC ACID | 1.7458 | 0.7861 | NA | 0.6596 | NA | 0.9954 | 0.7767 | 0.6967 | 0.8393 | 0.4997 | NA | 0.7912 | 0.3648 | 0.7197 | 0.6022 | 3.7937 | 0.7389 | 0.6616 |
| ERYTHRITOL | 1.2413 | 1.1665 | 0.7776 | 0.9168 | 1.1904 | 1.0465 | 0.7832 | 0.8833 | 0.7087 | 0.8990 | 0.5354 | 0.7423 | 1.2519 | 0.8502 | 1.0142 | 1.1004 | 0.9431 | 0.9365 |
| ESTRADIOL-17BETA | NA | 0.9422 | 1.1957 | 0.9699 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.8961 | 0.4120 | 0.9331 | 1.0811 |
| ESTRONE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| ETHYLENEDIAMINETETRAACETIC (EDTA) ACID | 0.9805 | 1.0475 | 0.9366 | 1.1075 | 0.8843 | 1.0491 | 0.9201 | 0.9733 | 0.8744 | 1.2782 | 0.9601 | 1.2789 | 0.8766 | 0.9324 | 0.7819 | 1.0228 | 0.9102 | 0.9368 |
| FERULATE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.7875 | NA | NA | NA | NA | 1.2125 |
| FLAVIN ADENINE DINUCLEOTIDE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| FORMYL-L-METHIONINE | 1.1239 | 1.2750 | 0.7617 | 0.4891 | 1.3111 | 1.7578 | 1.8423 | 1.0793 | 0.3720 | 0.4388 | 0.3446 | 0.7994 | 1.8001 | 0.2570 | 1.7943 | 1.3306 | 1.6989 | 0.3992 |
| FRUCTOSE 1,6-BIPHOSPHATE | NA | NA | 0.3553 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.6447 | NA | NA |
| FUMARIC ACID | 1.0575 | 0.8656 | 1.1272 | 0.9856 | 0.8364 | 0.8694 | 0.7597 | 0.9212 | 1.0468 | 1.0571 | 0.7321 | 0.9882 | 0.9614 | 0.9431 | 1.2742 | 1.0560 | 1.0290 | 1.0807 |
| GAMMA-LINOLENIC ACID | 1.2207 | 1.6497 | 0.4827 | 0.6150 | 1.3428 | 2.0036 | 5.9207 | 1.5719 | 0.7687 | 0.7587 | 0.2948 | 0.6305 | 0.9686 | 0.4582 | 1.1196 | 1.2096 | 0.5790 | 0.3603 |
| GERANYL PYROPHOSPHATE | 0.4679 | NA | 0.8397 | 0.4976 | NA | NA | 0.7178 | NA | NA | 0.6982 | 0.6461 | NA | 1.4858 | 1.1958 | NA | 4.1317 | 0.2505 | 0.8658 |
| GLUCOSAMINATE | NA | 0.9165 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0835 | NA |
| GLUCOSAMINE 6-PHOSPHATE | NA | 0.9892 | 1.4088 | 0.9451 | NA | NA | NA | 0.9702 | NA | NA | NA | NA | NA | NA | NA | 0.9749 | NA | 0.7369 |
| GLUCURONOLACTONE | 0.7668 | 1.1571 | 1.3615 | 0.5067 | 1.7111 | 0.8051 | NA | 1.2496 | 0.7737 | 0.3673 | 1.3302 | 0.6378 | 1.2437 | 0.7191 | 0.8479 | 1.2226 | 1.3520 | 0.8480 |
| GLUTAMIC ACID | 0.7235 | 0.7958 | 0.9620 | 1.0834 | 0.7804 | 0.7556 | 1.0773 | 1.3417 | 0.7896 | 0.8035 | 0.8218 | 1.4121 | 0.9466 | 1.1665 | 1.4087 | 1.1335 | 1.2306 | 1.0526 |
| GLUTAMINE | 1.0227 | 1.0021 | 1.0191 | 0.9286 | 1.0188 | 0.9617 | 0.9174 | 0.9727 | 1.0136 | 0.9564 | 0.9805 | 1.0175 | 1.1379 | 1.0254 | 0.9713 | 1.0578 | 0.9588 | 1.0159 |
| GLUTARATE | 0.4709 | 0.7251 | 0.6286 | 0.8924 | 1.8049 | 0.4710 | 0.7951 | 2.3790 | 1.5221 | 1.4167 | 0.3633 | 0.5669 | 1.9704 | 0.4048 | 0.5764 | 1.4586 | 0.5267 | 1.5697 |
| GLYCERIC ACID | 1.1947 | 1.1033 | 0.8013 | 0.8972 | 1.1977 | 0.8361 | 0.8228 | 0.8429 | 0.8447 | 1.0043 | 1.1268 | 1.0429 | 0.8051 | 0.7299 | 1.0383 | 1.5211 | 0.8317 | 0.8509 |
| GLYCEROL PHOSPHATE | 0.9622 | 0.9496 | 1.0008 | 1.1120 | 0.8580 | 1.2976 | 2.0636 | NA | NA | 0.5839 | NA | NA | 0.8585 | 1.0993 | 1.2450 | 0.8272 | 0.6837 | 0.9529 |
| GLYCOCHENODEOXYCHOLATE / GLYCODEOXYCHOLATE (*) | 1.1145 | 1.3731 | 0.6630 | 0.6041 | 2.3187 | 0.8565 | 0.6773 | 1.6876 | 0.7407 | 1.3160 | 0.6174 | 0.5496 | 1.0918 | 0.6783 | 1.3892 | 1.2804 | 0.7663 | 0.5502 |
| GLYCOCHOLATE | 1.5719 | 1.0978 | 1.2045 | 0.3693 | 2.2275 | 0.3708 | 0.4940 | 1.1772 | 0.3888 | 0.3369 | NA | 0.4085 | 1.6060 | 0.4538 | 1.7091 | 2.0922 | 0.3943 | 0.3676 |
| GLYCODEOXYCHOLATE / GLYCOCHENODEOXYCHOLATE (*) | 1.0196 | 1.2210 | 0.7456 | 0.8111 | 1.0890 | 1.0277 | 0.4576 | 2.0439 | 0.9701 | 1.5557 | 0.4605 | 0.9810 | 1.2640 | 1.1271 | 0.8340 | 0.8176 | 1.0056 | 0.6203 |
| GLYCOLITHOCHOLIC ACID ETHYL ESTER | 0.8341 | 1.4169 | 0.7365 | 0.9984 | NA | 0.6880 | NA | 1.3647 | 1.0972 | 1.5606 | NA | NA | 1.0468 | 0.7715 | 0.6076 | 0.6601 | NA | 0.9138 |
| GLYOXYLATE | 0.8788 | 0.8046 | 1.1901 | 1.2105 | 0.8680 | 0.8010 | 0.7473 | 1.0008 | 1.1420 | 1.2786 | 0.7087 | 1.1703 | 0.8221 | 1.1725 | 0.9877 | 0.7919 | 0.9611 | 1.0505 |
| GUANIDINOACETATE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA | NA | NA |
| GUANOSINE | 0.8590 | 0.7198 | 1.4212 | 1.0249 | 1.3027 | 0.8372 | 0.0476 | 0.2678 | 1.0163 | 1.3059 | 1.0599 | 0.5695 | 0.7896 | 1.3314 | 0.9118 | 0.5576 | 1.3969 | 1.5149 |
| GUANOSINE 5`-DIPHOSPHATE | 0.9732 | NA | NA | NA | 1.0268 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| GUANOSINE 5` MONOPHOSPHATE | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| GUANOSINE 5`-TRIPHOSPHATE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| GULONO-1,4-LACTONE | 0.6523 | 1.2585 | 0.6036 | 0.6125 | 1.4751 | 1.2051 | 2.3745 | 2.3167 | 0.5984 | 0.5885 | 0.5186 | 0.9254 | 1.6509 | 0.5963 | 0.7028 | 1.3084 | 1.2158 | 0.8700 |
| HEPTADECANOATE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| HEPTADECENOATE (*) | 1.1316 | 1.2759 | 0.5966 | 0.8066 | 1.4237 | 2.1783 | 3.6916 | 1.1603 | 0.8487 | 0.9631 | 0.3433 | 0.8883 | 0.6764 | 0.4810 | 1.0170 | 0.9530 | 1.1070 | 0.6463 |
| HEPTANOIC ACID | 0.7302 | 0.9051 | 1.0674 | 1.2073 | 0.7411 | 0.8761 | 0.2235 | 1.0172 | 1.0256 | 1.3234 | 0.8103 | 1.7680 | 0.9663 | 1.2079 | 0.9882 | 1.1581 | 1.1248 | 0.8836 |
| HEXACOSANOIC ACID | 0.2660 | 0.4463 | 0.6757 | 0.9406 | 0.8839 | NA | NA | 1.2618 | 0.9729 | 1.0350 | NA | 0.8623 | NA | 1.6574 | 1.1162 | 0.8031 | 1.7454 | 1.4757 |
| HEXADECANEDIOATE (*) | 1.8239 | 0.8325 | 1.0042 | 1.0432 | 0.6798 | 0.6636 | 0.6850 | 0.7786 | 0.9885 | 0.8971 | 1.0076 | 1.0481 | 1.0914 | 1.7008 | 0.8843 | 0.9049 | 0.9146 | 0.8301 |
| HEXANOATE | 0.6148 | 0.8294 | 0.8840 | 0.9896 | 0.9151 | 0.8535 | 0.1438 | 1.5192 | 0.8257 | 1.0504 | 0.8914 | 3.8704 | 0.7279 | 0.8223 | 1.0278 | 0.9329 | 0.7752 | 0.9910 |
| HEXITOL | NA | NA | NA | NA | NA | NA | NA | 0.1716 | NA | NA | NA | NA | NA | NA | NA | 1.4142 | NA | NA |
| HEXURONIC ACID | 0.9538 | 0.9976 | 0.8120 | 1.0673 | 1.1777 | 1.2393 | 0.9697 | 1.1136 | 0.8125 | 0.3760 | 0.9454 | 1.1479 | 1.2728 | 1.1464 | 0.1508 | 1.0370 | 1.3339 | 0.7140 |
| HIPPURATE | 0.8628 | 0.8426 | 1.1782 | 1.1324 | 0.5583 | 1.2027 | 0.3410 | 1.1026 | 1.1071 | 2.8486 | 0.7023 | 0.9355 | 0.5472 | 0.8508 | 1.1813 | 0.8390 | 0.9311 | 0.7191 |
| HOMOVANILLATE | 0.7161 | 1.2993 | 0.8909 | 0.4809 | NA | 0.5670 | 0.6705 | 0.9696 | 0.4944 | NA | NA | 0.6894 | 2.6851 | 0.6277 | 1.4923 | 0.7767 | 1.1559 | 0.5863 |
| HYDROXYACETAMINOPHEN SULFATE (*) | 1.1336 | 0.0265 | 2.3069 | 0.0431 | 0.0131 | 0.8502 | 0.0289 | 0.0376 | 0.0305 | 4.8515 | 0.0393 | 0.2161 | 0.0184 | 0.0116 | 0.0255 | 4.2473 | 1.3945 | 2.3332 |
| HYDROXYBENZOIC ACID | 1.0080 | 0.8039 | 0.9257 | 1.1171 | 1.4647 | 0.3581 | 1.2007 | 0.8811 | NA | 1.4278 | NA | 0.8454 | NA | NA | 3.0038 | 1.0146 | 1.2115 | 0.7304 |
| HYDROXYDECANOATE (*) | 0.9472 | 1.2489 | 0.9213 | 1.0367 | 0.8108 | 0.5735 | 1.6051 | 1.2395 | 0.9877 | 0.8132 | 0.8969 | 1.1476 | 1.2523 | 0.9159 | 0.7335 | 1.2794 | 0.8785 | 0.7232 |
| HYDROXYISOVALERATE (*) | 1.1057 | 0.7911 | 1.2656 | 0.9397 | 0.9248 | 1.0481 | 0.5587 | 0.7307 | 1.0551 | 1.0729 | 0.6476 | 0.9036 | 1.0843 | 1.2256 | 1.0724 | 0.8499 | 1.0777 | 1.1201 |
| HYPOTAURINE | 0.6636 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.6227 | NA | NA | 0.7137 | NA | NA |
| HYPOXANTHINE | 1.4004 | 0.9806 | 1.0582 | 0.9121 | 1.9880 | 1.1140 | 0.2789 | 0.5970 | 1.2897 | 0.9418 | 1.2308 | 0.4215 | 0.8462 | 0.4988 | 1.2686 | 1.6181 | 0.8263 | 0.3691 |
| INDICAN | 0.7563 | 1.0064 | 1.2982 | 1.1743 | 0.5428 | 0.6965 | 0.5934 | 0.8062 | 0.6563 | 0.6662 | 0.9451 | 0.9580 | 0.9474 | 1.3500 | 0.9410 | 0.8439 | 1.2103 | 1.2499 |
| INDOLE-3-ACETALDEHYDE | 0.9896 | 0.5695 | 0.8932 | 1.0574 | NA | NA | 1.1997 | 1.1601 | 1.0332 | NA | NA | NA | NA | NA | 0.9597 | 1.0166 | NA | NA |
| INDOLE-3-ACETIC ACID | 0.7733 | 0.7983 | 0.9224 | 0.9168 | 0.6581 | 0.7174 | 0.4309 | 0.7190 | 0.8038 | 0.6506 | 0.8130 | 0.8355 | 0.8232 | 1.0927 | 1.6354 | 1.5026 | 1.3891 | 1.5493 |
| INDOLE-3-ETHANOL | 1.6118 | 0.5800 | 0.9564 | NA | 1.6723 | NA | NA | NA | NA | 0.6918 | 0.6035 | 0.8205 | NA | 0.5976 | NA | 0.7117 | 1.2406 | 0.5572 |
| INDOLEPROPIONATE (*) | 1.7731 | 0.7055 | 2.2533 | 0.7265 | 0.8380 | 1.5341 | 0.8523 | 0.8719 | 0.8777 | 1.5412 | NA | 0.7199 | 1.6368 | 0.7949 | 0.4644 | 1.0809 | 0.4452 | 0.7068 |
| INOSINE | 0.9472 | 0.6371 | 1.5512 | 1.0427 | 1.2584 | 0.8084 | 0.1045 | 0.3008 | 0.8800 | 1.1960 | 1.0388 | 0.5318 | 0.6905 | 1.3301 | 0.7064 | 0.5642 | 1.5219 | 1.5253 |
| INOSINE 5`-DIPHOSPHATE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| INOSINE 5`-MONOPHOSPHATE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| INOSINE 5`-TRIPHOSPHATE | 1.0906 | NA | NA | NA | 0.9202 | NA | NA | NA | NA | 0.8798 | NA | NA | NA | NA | NA | 1.1094 | NA | NA |
| ISOLEUCINE/LEUCINE (*) | 0.8749 | 1.0022 | 0.8840 | 0.9625 | 1.0053 | 1.0780 | 0.8750 | 1.0151 | 0.9558 | 0.9896 | 0.9560 | 0.9720 | 1.0179 | 0.9315 | 1.1594 | 1.1697 | 1.0303 | 1.0880 |
| KYNURENINE | 0.9521 | 0.9132 | 1.1107 | 1.1510 | 0.8320 | 0.9209 | 0.8044 | 0.8781 | 0.9518 | 1.0270 | 1.0094 | 1.0631 | 0.7266 | 0.9392 | 1.0221 | 0.9635 | 1.0586 | 1.1136 |
| LACTATE (*) | 1.0334 | 1.0177 | 0.8850 | 0.8866 | 0.9813 | 1.0319 | 0.9779 | 0.9746 | 0.8941 | 0.8828 | 0.9965 | 0.8519 | 1.0732 | 0.9317 | 1.0022 | 1.4918 | 0.9669 | 0.9999 |
| LAURIC ACID | 1.2261 | 1.6319 | 1.1246 | 0.9528 | 0.8729 | 0.8604 | 3.6722 | 1.1091 | 0.8111 | 0.9390 | 0.5478 | 0.8040 | 0.9228 | 0.6681 | 0.9407 | 0.6912 | 0.5630 | 0.5191 |
| LAUROYLCARNITINE | 1.2113 | 1.1298 | 1.3595 | 1.2205 | 0.7900 | 0.9665 | NA | 0.9735 | 0.5548 | 0.7188 | 0.6220 | 1.0722 | 0.2251 | 0.9051 | 1.1058 | 0.8339 | 0.8174 | 0.6464 |
| LEUCENOL | 1.0550 | 1.1162 | NA | 1.0217 | 0.5724 | 0.9643 | NA | 0.7494 | 0.9893 | 0.6444 | NA | NA | NA | 1.2528 | 0.7113 | NA | NA | 1.2869 |
| LIGNOCERIC ACID | 0.8660 | 0.5199 | 4.3183 | 0.5864 | 0.2799 | 0.4460 | 0.5735 | NA | NA | NA | NA | 0.6231 | 0.6714 | NA | NA | 1.7200 | NA | 5.7060 |
| LINOLEATE | NA | 1.1094 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.8906 | NA | NA |
| LINOLEOYLGLYCEROPHOSPHOETHANOLAMINE (*) | 2.1970 | 1.6796 | 0.4162 | 0.4624 | 1.3454 | 2.1442 | 2.9124 | 1.1948 | 0.3980 | 0.3013 | 0.2337 | 0.3033 | 1.3285 | 0.4705 | 0.6872 | 0.7671 | 1.1412 | 0.5201 |
| LIPOAMIDE | NA | NA | 0.9524 | 1.0643 | NA | NA | NA | NA | NA | NA | NA | NA | 0.9306 | 1.0526 | NA | NA | NA | NA |
| LL-2,6-DIAMINOHEPTANEDIOATE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| LUMICHROME | 1.3641 | NA | 0.8064 | 0.4047 | NA | NA | NA | NA | NA | 0.4600 | NA | NA | NA | NA | NA | NA | NA | 1.6007 |
| MALATE | 1.2148 | 0.8910 | 1.0766 | 0.9145 | 1.0032 | 0.8942 | 0.7443 | 0.9136 | 1.0662 | 1.0137 | 0.6128 | 0.8923 | 1.0002 | 0.8322 | 1.3627 | 1.1435 | 1.0395 | 0.9580 |
| MALONATE | 0.8997 | 0.9052 | 1.0019 | 1.2975 | 0.6613 | NA | NA | 0.9397 | 0.7643 | 0.9428 | NA | 1.2319 | NA | NA | 0.9291 | 0.7674 | 0.9091 | 1.0817 |
| MELATONIN | 1.1844 | 0.9363 | 0.8412 | 1.0642 | 0.9749 | 0.8859 | 1.1378 | 0.8671 | 0.9497 | 0.8465 | 0.7562 | 0.8814 | 1.0098 | 0.9036 | 1.1515 | 1.5134 | 1.1350 | 0.8559 |
| MERCAPTOPYRUVATE | NA | 0.4698 | NA | 0.2914 | NA | NA | NA | NA | NA | 0.2747 | 0.4038 | 0.4202 | 0.3761 | NA | NA | 6.0029 | NA | NA |
| METHIONINE | 0.9608 | 0.9968 | 1.0167 | 0.9809 | 0.9712 | 1.0614 | 1.0814 | 1.0364 | 0.9562 | 1.0216 | 1.2336 | 1.0214 | 1.0660 | 0.9959 | 0.9788 | 0.9494 | 0.9744 | 1.0335 |
| METHYL BETA-D-GALACTOSIDE | 1.2281 | 1.6113 | 1.0879 | 0.7152 | NA | 0.3776 | 1.4805 | 0.9473 | NA | 0.9552 | NA | 0.4992 | 1.5724 | NA | NA | 0.3094 | 0.7144 | 0.5164 |
| METHYL INDOLE-3-ACETATE | 0.5534 | 1.0452 | 1.7961 | 1.0705 | 0.6382 | 0.5334 | NA | 0.4987 | 1.8309 | 0.4402 | NA | 1.6297 | 1.1044 | 0.9297 | 0.5687 | 1.4539 | 0.6021 | 0.9285 |
| MONO-METHYL GLUTARATE | 0.5207 | 0.4931 | 0.4438 | 0.4542 | 0.6863 | 0.5497 | NA | 0.7923 | 0.2481 | NA | NA | 0.9728 | 0.5951 | 0.6513 | 0.5333 | 11.3088 | 0.4424 | 0.6697 |
| MYO-INOSITOL | 1.0297 | 1.0245 | 0.8952 | 0.9134 | 1.0528 | 1.0428 | 0.9657 | 0.9727 | 0.8711 | 0.9367 | 0.8883 | 0.8696 | 1.0587 | 0.9190 | 0.9810 | 1.4176 | 0.9558 | 0.9922 |
| MYRISTIC ACID | NA | 0.4406 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.5594 | NA | NA |
| MYRISTOLEIC ACID | 1.0865 | 1.2223 | 1.1393 | 1.1086 | 1.0026 | 0.9731 | 2.4606 | 1.1509 | 1.0091 | 1.2142 | 0.7708 | 1.2486 | 0.5738 | 0.5107 | 0.7853 | 0.8607 | 0.7113 | 0.6577 |
| N6-(DELTA2-ISOPENTENYL)-ADENINE | 1.0497 | 1.0200 | 1.0993 | 1.0552 | 1.0107 | 1.0032 | NA | 1.0401 | 0.6496 | 1.0271 | NA | 1.1930 | 0.9928 | 1.1708 | 0.8461 | 0.7915 | 0.8350 | 1.1022 |
| N-ACETYL-D-GALACTOSAMINE | 1.0436 | 1.1487 | 1.0723 | 0.7320 | 1.1794 | 1.3081 | 2.0350 | 1.1321 | 0.4210 | 0.7067 | 0.8913 | 0.8919 | 0.9101 | 0.7142 | 0.5655 | 0.9976 | 1.2598 | 1.1438 |
| N-ACETYL-DL-GLUTAMIC ACID | 0.7498 | 1.1000 | 0.7172 | 0.6828 | 0.3116 | 1.2229 | NA | 1.5128 | 1.2414 | NA | NA | 1.0619 | 1.0644 | 1.6081 | 1.9956 | 1.6692 | 1.1998 | 0.7418 |
| N-ACETYL-DL-METHIONINE | 0.8379 | 0.8741 | 0.2521 | 1.5673 | 1.7303 | 1.9797 | NA | 0.9941 | NA | NA | NA | 0.1697 | 1.6035 | NA | 1.4247 | 0.7083 | 1.1540 | 0.2843 |
| N-ACETYL-D-TRYPTOPHAN | 0.5862 | 0.7233 | 0.6511 | 0.7239 | 1.3924 | 1.1533 | 0.3714 | 2.4120 | 0.8564 | 0.8988 | 0.3863 | 2.8706 | 1.1250 | 0.9993 | 0.9460 | 1.0409 | 1.3528 | 1.6478 |
| N-ACETYLGLYCINE | 1.1021 | 1.0650 | 1.0815 | 0.9876 | 0.9789 | 1.1307 | 1.3643 | 0.8938 | 1.0530 | 0.9938 | 0.3291 | 0.9190 | 1.2546 | 0.9106 | 0.8605 | 0.8934 | 0.9612 | 0.8916 |
| N-ACETYL-L-ASPARTIC ACID | 1.0780 | 0.7542 | 1.1486 | 1.0477 | 0.8797 | 0.9006 | 0.8068 | 0.9752 | 1.0570 | 0.9782 | 0.7071 | 1.0248 | 1.0253 | 1.0293 | 1.2494 | 1.1560 | 1.0231 | 0.9639 |
| N-ACETYL-L-CYSTEINE | 1.3158 | 1.0639 | 0.9648 | 0.8487 | 1.3785 | 1.0468 | 1.5031 | 0.6531 | 0.7769 | 1.4645 | 0.9342 | 0.6675 | 1.4137 | 0.8782 | 1.3136 | 0.8621 | 1.6110 | 0.6056 |
| N-ACETYL-L-LEUCINE | 0.4849 | 1.0725 | 1.9057 | 1.4712 | 0.5804 | 0.6562 | 0.2962 | 0.6343 | 0.4952 | 0.4539 | 0.6304 | 1.0668 | 0.5457 | 1.3782 | 0.5954 | 1.1083 | 0.4853 | 1.2079 |
| N-ACETYL-L-PHENYLALANINE | 0.8504 | 1.0036 | 0.8959 | 0.8325 | 1.1634 | 1.3185 | 1.1250 | 1.2993 | 1.0669 | 1.0345 | 1.0610 | 1.5297 | 1.3246 | 1.0648 | 1.0394 | 1.0367 | 0.8660 | 0.7638 |
| N-ACETYLNEURAMINATE | 0.6716 | 0.5997 | 1.4232 | 1.1343 | 0.5489 | 0.1634 | 0.2572 | 0.5362 | 1.2601 | 1.5191 | 1.5160 | 0.8026 | 0.5815 | 1.6026 | 0.8649 | 1.6219 | 0.9853 | 1.2686 |
| N-ACETYLSEROTONIN | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| NADP | NA | NA | NA | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| N-ALPHA-ACETYL-L-ASPARAGINE | 1.9135 | 1.0356 | NA | 0.5756 | NA | 1.1176 | NA | NA | NA | NA | NA | NA | NA | 0.3533 | NA | 1.4130 | NA | 0.5203 |
| N-ALPHA-ACETYL-L-LYSINE | 1.1581 | 0.9099 | 1.0113 | 0.9208 | 1.1049 | NA | NA | 0.8227 | 0.9642 | 0.8511 | NA | NA | 1.0317 | 0.8677 | 1.2916 | 1.1459 | 0.7782 | 0.9437 |
| N-BENZYLOXYCARBONYLGLYCINE | 0.9228 | 0.9005 | 1.2016 | 2.2446 | 0.4295 | 0.4326 | 1.0080 | 0.6007 | 0.6939 | 0.8470 | NA | 0.6206 | 1.4076 | 2.6743 | 0.5401 | 0.4174 | 0.4672 | 0.7690 |
| N-CYCLOHEXYLFORMAMIDE | NA | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| N-CYCLOHEXYLSULFAMIC ACID | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| NERVONIC ACID | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| N-FORMYLGLYCINE | NA | NA | NA | 0.9170 | NA | NA | NA | NA | 1.0830 | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| NICOTINAMIDE | NA | 0.9251 | 0.4977 | 2.0113 | NA | NA | 1.2553 | NA | 0.9856 | NA | 0.5046 | 0.7018 | 1.0373 | NA | NA | NA | 1.0957 | NA |
| NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| N-METHYLTRYPTAMINE | 0.1747 | NA | NA | 0.4074 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.2745 | 1.7547 | 2.2141 |
| N,N`-DIACETYL-CYSTINE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| N-OLEOYLGLYCINE | NA | NA | NA | 0.7785 | 1.1657 | 0.8846 | NA | NA | NA | NA | NA | 1.5384 | NA | 0.8223 | NA | 1.0320 | NA | NA |
| NONADECANOATE / METHYLSTEARATE (*) | 0.9335 | 1.2686 | NA | 0.7453 | NA | NA | NA | NA | NA | NA | NA | NA | 0.9432 | NA | NA | 1.0886 | 0.9271 | NA |
| NONADECENOATE (*) | 1.3137 | 1.3380 | 0.6125 | 0.8387 | 1.2474 | 1.9428 | 3.3431 | 0.9669 | 0.8177 | 0.8246 | 0.3363 | 0.8387 | 0.8394 | 0.5747 | 0.8226 | 0.7940 | 1.2331 | 0.6871 |
| NONANOATE | 0.7474 | 0.7203 | 1.4004 | 1.2185 | 1.2660 | 0.6104 | 0.9464 | 0.8694 | 1.2004 | 0.7097 | 0.5334 | 1.2660 | 0.8725 | 1.5641 | 0.7151 | 0.7082 | 1.0050 | 1.1640 |
| NORMETANEPHRINE | 1.2263 | 1.2249 | 0.4781 | 0.5202 | 1.4011 | 1.7477 | 0.5336 | 0.3637 | 0.5797 | 0.5746 | NA | 0.5595 | 1.0767 | NA | 1.7635 | 1.2316 | 0.6722 | 0.5623 |
| N(PAI)-METHYL-L-HISTIDINE | 1.1597 | 0.9214 | 0.9171 | 0.9168 | NA | 1.3812 | NA | 0.6168 | NA | 0.6798 | NA | 0.8289 | 0.9899 | NA | NA | NA | 1.3342 | NA |
| N(PAI)-METHYL-L-HISTIDINE (*) | 1.5210 | 1.0923 | 0.6684 | 0.5050 | 1.7870 | 2.1001 | 0.2254 | 1.1450 | 0.8623 | 0.8387 | 0.8122 | 0.6559 | 1.0822 | 0.3667 | 2.0740 | 1.6397 | 0.6223 | 0.5064 |
| O-ACETYL-L-CARNITINE | 0.8114 | 0.5391 | 1.2273 | 0.8693 | 0.6245 | 0.7466 | NA | 0.9087 | 1.0558 | 1.4122 | 0.8987 | 1.1879 | 1.0646 | NA | 0.6219 | 0.7338 | 1.2708 | 1.2024 |
| OCTADECANEDIOATE (*) | 1.2793 | 1.3488 | 0.9260 | 0.7515 | 1.0912 | 1.0460 | 1.3939 | 1.2389 | 0.7089 | 0.6911 | 0.6021 | 0.9771 | 1.3356 | 0.8315 | 1.1428 | 1.1220 | 0.7565 | 0.7303 |
| OCTOPAMINE | 0.9272 | 0.8040 | 0.8418 | 0.7955 | 1.0233 | 1.0294 | NA | 1.0277 | 3.0150 | 0.4889 | 0.6948 | 0.9115 | NA | 1.0715 | 1.4446 | 0.7278 | 2.3547 | 1.1560 |
| OLEATE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| OLEOYLGLYCEROPHOSPHOETHANOLAMINE (*) | 2.0751 | 1.3791 | 0.4826 | 0.5000 | 1.2024 | 2.0364 | 2.1487 | 0.9861 | 0.3681 | 0.3850 | NA | 0.2946 | 1.0460 | 0.4506 | 0.6445 | 0.7753 | 1.3453 | 0.5743 |
| O-PHOSPHO-DL-SERINE | 0.7800 | 1.0363 | NA | 1.1657 | NA | NA | NA | NA | NA | NA | NA | 1.4016 | NA | NA | NA | 0.7840 | 0.7962 | NA |
| O-PHOSPHONOHEXOPYRANOSE | 0.9912 | NA | NA | NA | 0.9668 | NA | NA | NA | NA | NA | NA | 1.0420 | NA | NA | NA | NA | NA | NA |
| OPHTHALMIC ACID | 0.8167 | 0.6958 | 1.2861 | 1.3307 | 0.7961 | 0.6791 | NA | 0.8462 | 0.9654 | 0.8567 | NA | 0.9507 | 0.8838 | 1.1775 | 0.6796 | 0.8450 | 1.0996 | 0.9092 |
| ORNITHINE | 0.9802 | 1.0433 | 1.0884 | 0.9801 | 0.8892 | 0.9227 | 1.0124 | 1.1200 | 1.0170 | 0.9227 | NA | 1.0254 | 1.0652 | 1.0120 | 1.1512 | 0.8890 | 0.9851 | 0.9177 |
| OROTATE | 1.0022 | 0.7974 | 0.9466 | 0.9695 | 0.8699 | 0.7210 | 1.0291 | 1.3452 | 1.1452 | 0.9914 | 2.0546 | 1.4535 | 0.9726 | 0.9108 | 0.8471 | 0.8269 | 0.7261 | 1.2230 |
| O-SUCCINYL-L-HOMOSERINE | NA | 1.0065 | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0938 | NA | NA | 0.8998 | NA | NA | NA |
| OXALATE | 0.6895 | 1.1669 | 1.1675 | 0.9860 | 1.1846 | 0.8110 | NA | 1.2133 | 1.1079 | 0.8855 | 0.8503 | 0.8148 | 0.7014 | 0.6126 | 2.1100 | 1.3497 | 0.8049 | 0.7136 |
| OXOMALONATE | NA | NA | 0.7274 | 1.1685 | NA | NA | NA | NA | NA | 0.5639 | NA | NA | NA | 1.2756 | NA | NA | NA | 0.7590 |
| P-ACETAMIDOPHENYLGLUCURONIDE (*) | 2.0930 | 0.0166 | 2.6851 | 0.0254 | 0.0166 | 0.0710 | 0.0303 | 0.0466 | 0.0135 | 0.3621 | 0.0207 | 0.2364 | 0.0210 | 0.0154 | 0.0133 | 4.2589 | 0.7745 | 2.4744 |
| PALMITIC ACID | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| PALMITOLEATE (*) | 1.2185 | 1.2086 | 0.5322 | 0.9085 | 1.1417 | 1.9777 | 3.6206 | 1.4118 | 1.0156 | 1.2329 | 0.5053 | 1.2096 | 0.5688 | 0.4123 | 0.7101 | 1.0842 | 0.8421 | 0.5211 |
| PALMITOLEIC ACID | NA | 0.5469 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.4531 | NA | NA |
| PALMITOYLGLYCEROPHOSPHOETHANOLAMINE / PALMITOYLPLASMENYLETHANOLAMINE (*) | 2.3443 | 1.6053 | 0.7505 | 0.7465 | 1.2266 | 1.7724 | 0.7385 | 0.6934 | 0.5488 | 0.4955 | 0.6615 | 0.6871 | 0.9682 | 0.5868 | 0.3120 | 0.5255 | 1.0069 | 0.5576 |
| PALMITOYLGLYCEROPHOSPHOINOSITOL (*) | 2.0267 | 1.2809 | 0.5338 | 0.6352 | 1.4151 | 1.9087 | 1.8003 | 0.9694 | 0.6712 | 0.5828 | 0.3826 | 0.7701 | 0.9400 | 0.4733 | 0.6230 | 0.9021 | 1.4172 | 0.6483 |
| PANTOATE | 0.8786 | 1.0502 | 0.7414 | 0.7817 | 1.2743 | 0.7899 | 0.9020 | 1.2314 | 0.8643 | 0.7050 | 1.3770 | 1.5154 | 1.1580 | 0.9805 | 1.0493 | 1.0495 | 1.2453 | 1.1048 |
| PANTOTHENIC ACID | 0.5816 | 0.4878 | 1.1893 | 1.4152 | 1.2347 | 0.8981 | 0.6335 | 0.3441 | 1.2533 | 1.1151 | 0.1943 | 1.6269 | 0.7380 | 1.6313 | 1.2054 | 0.5074 | 1.2838 | 1.5516 |
| P-BROMO-DL-PHENYLALANINE | 0.1082 | 0.1271 | 0.0879 | 0.0887 | 1.4572 | 5.8074 | NA | NA | 3.9136 | 6.3165 | NA | 0.0996 | NA | 0.0289 | 0.0480 | 0.1183 | 0.1805 | 0.1033 |
| PENTITOL | 1.0278 | 0.8250 | 1.0863 | 1.1038 | 0.8502 | 0.8629 | 1.0064 | 1.0781 | 0.9353 | 1.0507 | 1.0425 | 1.0991 | 0.9767 | 0.8909 | 1.1970 | 1.0350 | 0.9953 | 0.9999 |
| PHENYLACETALDEHYDE | NA | NA | NA | 1.2416 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.7584 |
| PHENYLACETATE (*) | 1.6590 | 1.0847 | 0.8022 | 0.8038 | 1.0330 | 1.0159 | 0.4827 | 1.1182 | 0.5437 | 0.7597 | 1.4452 | 1.0992 | 1.0547 | 0.7081 | 0.8952 | 1.0528 | 1.4712 | 0.6980 |
| PHENYLALANINE | 0.9847 | 1.0909 | 0.9111 | 0.9381 | 1.0111 | 1.1104 | 0.9284 | 1.1459 | 0.9177 | 0.9929 | 0.8590 | 0.9505 | 1.0765 | 0.8904 | 1.1852 | 1.0682 | 0.8980 | 0.9790 |
| PHENYLPYRUVATE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| PHOSPHATE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| PHOSPHOCREATINE | 0.7494 | 0.8460 | 1.2463 | 1.1659 | 1.0085 | 0.8165 | NA | 0.8704 | 1.7019 | 1.3471 | 1.4907 | 1.3207 | 0.6417 | 1.0237 | 1.0046 | 0.9181 | 0.7355 | 1.0652 |
| PHOSPHO(ENOL)PYRUVIC ACID | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| PHOSPHOETHANOLAMINE | NA | NA | 1.1727 | 1.4561 | 0.7672 | 1.0925 | NA | 1.2877 | 1.2265 | NA | NA | 0.9636 | 0.8799 | 0.7063 | 0.8299 | 1.1000 | 0.5239 | 0.8325 |
| PHOSPHOGLYCERIC ACID | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| PHOSPHONOACETATE | NA | 1.4848 | 0.9278 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.6596 | NA |
| PHTHALATE | NA | 1.5101 | 0.7202 | 0.7836 | 2.2288 | 1.1305 | NA | 1.0677 | 0.6995 | NA | NA | 0.9269 | 0.7207 | 0.9973 | 0.7190 | 1.3697 | 0.6494 | 0.6936 |
| PHYTIC ACID | 0.5894 | 0.8744 | 1.5869 | 1.2417 | NA | 1.4733 | NA | NA | 0.7009 | NA | NA | NA | NA | NA | NA | 1.4216 | 0.8063 | 0.7542 |
| PREGNENOLONE | NA | NA | 1.4560 | NA | NA | 0.7407 | NA | NA | 0.8975 | NA | NA | NA | NA | NA | NA | 1.2615 | 1.3466 | 0.6488 |
| PREGN STEROID MONOSULFATE (*) | 0.7907 | 0.8301 | 0.9767 | 1.2281 | 0.4293 | 0.5074 | 0.5899 | 0.7004 | 0.7725 | 0.5535 | 1.0358 | 0.9565 | 0.8311 | 1.2089 | 0.5697 | 1.4612 | 1.3712 | 1.5223 |
| PROGESTERONE | NA | 0.6552 | NA | NA | NA | NA | NA | 0.4215 | NA | 0.3982 | NA | NA | NA | NA | NA | 1.7625 | NA | NA |
| PROLINE | 0.9995 | 1.1510 | 0.8056 | 0.8881 | 1.0753 | 1.0894 | 1.1360 | 1.2482 | 0.8318 | 0.7563 | 0.8276 | 0.9080 | 1.1504 | 0.9443 | 1.1921 | 1.0447 | 1.0150 | 1.0040 |
| PROMETRYN | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| PTERIN | 0.9836 | 1.0275 | 0.8889 | 0.7465 | 0.8998 | NA | NA | 1.2464 | 1.4476 | NA | NA | 0.6732 | 1.1491 | NA | 1.0352 | NA | 0.6580 | 1.1086 |
| PURINE | 0.8015 | 0.6800 | 1.2474 | 1.0479 | 0.4966 | NA | NA | NA | 0.8092 | 0.6529 | NA | 0.9983 | 0.6032 | 1.0026 | 1.7424 | 0.7439 | 1.0859 | 1.2144 |
| PYRIDINE-2,3-DICARBOXYLATE | 0.9261 | 0.9746 | 0.7876 | 0.9556 | 1.0893 | 1.1094 | 0.8353 | 0.9250 | 1.1235 | 0.9678 | 0.8084 | 1.1468 | 1.0942 | 1.0083 | 1.0988 | 1.0850 | 1.0951 | 1.0487 |
| PYRIDINE CARBOXYLIC ACID | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0019 | NA | NA | 0.9981 | NA | NA |
| PYRIDOXAL | 0.5845 | NA | NA | 0.5352 | 0.7218 | 0.7259 | NA | 0.9315 | NA | NA | NA | NA | 0.4291 | 0.6899 | 0.9789 | 1.2734 | 1.3349 | 2.7135 |
| PYRIDOXINE | 0.5802 | 0.9129 | 0.3346 | 0.4222 | 0.7389 | 0.9738 | 0.9060 | 1.8004 | 0.5585 | 0.3221 | 0.2221 | 7.0055 | 1.1743 | 0.3677 | 1.0317 | 2.5031 | 0.6577 | 0.4963 |
| PYRUVATE | 0.9184 | 1.0993 | 1.0310 | 0.8921 | 1.3219 | 0.8005 | 1.0034 | 0.9755 | 0.8456 | 0.8659 | 0.7423 | 0.8251 | 1.1167 | 0.7787 | 0.9117 | 1.2011 | 0.9408 | 1.1738 |
| QUINATE | 2.1611 | 0.1351 | 2.2892 | 0.6658 | 2.8659 | NA | NA | 1.4139 | 0.2054 | NA | 0.5240 | 1.8956 | 0.1016 | 0.1053 | NA | 0.3319 | 0.8989 | 0.5259 |
| RAFFINOSE | 0.9879 | 1.0812 | 0.8682 | 1.0214 | 0.9757 | 0.9078 | NA | 0.9423 | 1.0051 | 0.8827 | 0.8317 | 1.0038 | 1.0085 | 0.8378 | 1.2295 | 1.1051 | 0.9875 | 0.9721 |
| RETINOATE | 1.0640 | 0.4119 | 0.1586 | 1.4636 | 1.1554 | 1.6390 | 1.8346 | 0.8673 | 1.8703 | 0.1947 | 0.5616 | 0.2500 | 2.7680 | 2.4995 | 0.3077 | 0.5733 | 1.2388 | 0.6819 |
| RIBOFLAVIN | 0.6654 | 0.6030 | 0.7288 | 0.6550 | 0.5794 | NA | NA | 1.2910 | 0.8091 | 0.4834 | NA | 1.1709 | 2.0062 | NA | 1.3464 | 1.4811 | 1.0446 | 1.2813 |
| RIBOSE 5-PHOSPHATE | 0.9037 | 1.0780 | 1.0343 | NA | NA | NA | NA | NA | 0.9688 | NA | NA | NA | NA | NA | NA | 1.0765 | NA | 0.8507 |
| ROSMARINIC ACID | 0.9893 | 0.8726 | 1.3278 | 0.9427 | 0.7706 | 0.7023 | 1.2600 | 0.8651 | 0.7434 | 0.6618 | 0.1893 | 0.7904 | 1.2549 | 1.1336 | 1.5630 | 0.6786 | 1.2809 | 1.2317 |
| S-ADENOSYL-L-HOMOCYSTEINE | 0.9995 | 1.0308 | 0.7327 | 1.0497 | 0.9173 | 1.1397 | NA | 0.7806 | 0.9826 | 0.6886 | NA | 1.1960 | 1.1824 | 1.2397 | 1.2555 | 1.2619 | 1.2058 | 0.7582 |
| SALICYLAMIDE | 1.1695 | 0.9214 | NA | 0.8683 | 0.7583 | 0.8574 | NA | 1.4644 | 0.7691 | 0.8774 | NA | 0.8884 | 0.9096 | 0.8799 | NA | 0.9446 | 1.4859 | 0.8021 |
| SALICYLATE (*) | 0.5874 | 0.8877 | 0.9484 | 1.8073 | NA | 0.5708 | NA | 1.4411 | 0.6149 | 0.8218 | 0.4257 | NA | 1.2732 | NA | 0.4930 | 0.8492 | NA | 1.1218 |
| SALICYLIC ACID | 0.6789 | 0.2384 | 1.9509 | 2.1427 | 0.3240 | 0.2970 | NA | 0.1868 | NA | 0.8767 | 0.5641 | NA | 1.5977 | NA | NA | NA | NA | NA |
| SALICYLURIC GLUCURONIDE (*) | NA | 1.2613 | 0.8089 | 1.4130 | NA | NA | NA | 0.9221 | 0.5916 | 0.8635 | NA | 1.1363 | NA | NA | 0.5818 | NA | 0.6958 | 0.7095 |
| S-CARBOXYMETHYL-L-CYSTEINE | NA | NA | 0.1469 | NA | NA | NA | NA | NA | 0.1409 | NA | NA | 2.7122 | NA | NA | NA | NA | NA | NA |
| (S)-DIHYDROOROTATE | 1.1763 | 1.1614 | 0.8267 | 0.8112 | 1.0343 | 1.4087 | NA | 0.9050 | 0.5337 | 0.6061 | 0.4077 | 1.0434 | 1.6417 | 0.8481 | 1.3565 | 1.1008 | 1.0866 | 1.0093 |
| SELENOMETHIONINE | 0.9943 | 1.0338 | NA | NA | NA | NA | NA | 0.9382 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| SERINE | 1.1518 | 0.9814 | 0.9742 | 0.9520 | 0.9286 | 0.9685 | 1.1104 | 1.0650 | 1.0088 | 0.8729 | 0.7794 | 0.9572 | 1.1040 | 1.0750 | 0.9050 | 1.1626 | 0.9152 | 0.9658 |
| S-HEXYL-GLUTATHIONE | 0.9108 | 0.9515 | 1.0452 | 0.4186 | NA | 0.6282 | NA | 1.6233 | NA | 1.2690 | 0.2896 | 1.6839 | 0.9677 | 0.5506 | 1.6676 | 0.8835 | 0.4698 | 1.5987 |
| SHIKIMATE | 1.7590 | 0.9968 | 0.6991 | 0.7833 | 0.7686 | 1.3611 | 1.0209 | 0.8263 | 1.2726 | 1.7036 | 0.7257 | 0.8970 | 0.9454 | 1.2040 | 1.0549 | 1.3227 | 0.7858 | 0.9162 |
| (S)-LACTATE | 0.8935 | 0.9915 | 0.8868 | 0.9300 | 0.9151 | 0.9775 | 0.9257 | 0.9794 | 0.9966 | 0.9435 | 1.1133 | 0.9378 | 0.9864 | 0.9523 | 0.9542 | 1.5707 | 0.9650 | 1.0265 |
| SN-GLYCERO-3-PHOSPHOCHOLINE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.8717 | NA | NA | 0.1283 | NA | NA | NA |
| STACHYOSE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| STEARATE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| STEARIDONATE (*) | 1.1231 | 1.0402 | 0.6967 | 0.7192 | 1.0472 | 1.7715 | 2.8593 | 1.3753 | 0.8637 | 0.9505 | 0.3527 | 0.6949 | 0.6287 | 0.6237 | 1.5037 | 2.3736 | 0.8017 | 0.8460 |
| STEAROYLGLYCEROPHOSPHOETHANOLAMINE (*) | 2.1607 | 1.5314 | 0.4719 | 0.5109 | 1.4336 | 2.1683 | 1.3955 | 1.1394 | 0.5896 | 0.4625 | 0.2277 | 0.3886 | 1.0821 | 0.4260 | 0.5529 | 0.6578 | 1.4767 | 0.5637 |
| SUCCINATE | 1.0038 | 0.8539 | 0.9982 | 0.8758 | 0.9646 | 1.0213 | 0.7769 | 0.9963 | 0.9958 | 0.9749 | 0.9199 | 1.0664 | 0.9795 | 0.8504 | 1.1989 | 1.2769 | 1.1138 | 1.1014 |
| TARTARIC ACID | 0.7314 | 1.1812 | 0.5592 | NA | 0.6837 | 0.6312 | NA | 0.4233 | NA | NA | NA | 0.4457 | NA | 0.4013 | NA | 2.1007 | 0.9150 | 1.7313 |
| TAURINE | 0.9453 | 1.0512 | 0.8377 | 1.0155 | 0.9884 | 1.0980 | 0.8215 | 1.0694 | 1.0106 | 0.8183 | 0.8144 | 0.9625 | 1.2922 | 1.0122 | 1.2485 | 0.9880 | 1.0124 | 0.9501 |
| TAUROCHENODEOXYCHOLATE (*) | 1.0625 | 1.2575 | 0.8302 | 0.6715 | 2.0035 | 0.9617 | 0.5136 | 1.1062 | 1.0152 | 1.7890 | 0.4672 | 0.7729 | 0.9154 | 0.5894 | 1.4205 | 0.9991 | 0.8109 | 0.7758 |
| TAUROCHOLATE (*) | 1.1547 | 0.4859 | 0.7750 | 0.8593 | 1.0334 | 1.2928 | NA | 1.1785 | 1.9245 | 0.9796 | NA | NA | 1.3653 | 0.3713 | 1.8242 | 0.9683 | 1.0553 | 0.3724 |
| TAUROLITHOCHOLATE | 0.4033 | 0.5634 | 1.3177 | 1.6864 | 0.2877 | NA | 0.1542 | 0.3487 | 0.3442 | NA | NA | 1.3017 | 0.2509 | 0.2585 | 0.3298 | 1.4652 | 1.7782 | 1.8351 |
| TESTOSTERONE | 1.8891 | 0.5430 | 0.7576 | 1.1001 | 0.9453 | 1.8809 | NA | NA | 1.1128 | 0.5014 | 1.3126 | 1.0997 | 0.8072 | NA | 1.3418 | 0.9894 | 0.5040 | NA |
| THIAMINE PYROPHOSPHATE | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| THIAMIN MONOPHOSPHATE | 0.8637 | NA | NA | NA | 1.5864 | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.7822 | 0.9927 | NA | NA |
| THIOPURINE S-METHYLETHER | NA | 0.4433 | NA | NA | 0.7929 | 0.9531 | NA | NA | NA | NA | NA | NA | NA | NA | 0.9856 | NA | 1.4682 | 1.3569 |
| THREONATE (*) | 0.8874 | 0.9660 | 0.9544 | 1.0360 | 0.9653 | 1.0805 | 1.0113 | 1.0676 | 0.9399 | 0.8863 | 0.8491 | 0.9381 | 1.0739 | 0.9075 | 1.2097 | 1.3831 | 0.9752 | 0.8831 |
| THYMIDINE | 1.1783 | 1.4097 | 1.1698 | 0.5841 | 1.0161 | 0.7280 | 0.8016 | NA | NA | 1.4723 | NA | 0.7770 | 0.6961 | NA | 0.6061 | 0.6066 | 1.7857 | 0.3728 |
| THYMINE | 1.0497 | 1.2993 | NA | NA | 0.7986 | 1.2500 | NA | NA | 1.0965 | 0.6599 | NA | 0.6169 | 1.3027 | 0.9115 | NA | NA | 1.0148 | NA |
| THYROTROPIN RELEASING HORMONE | 0.8413 | 1.1243 | 0.9229 | 1.0011 | 0.8837 | 1.2323 | NA | 0.8238 | 0.8599 | 0.9387 | 0.6768 | 0.8140 | NA | 0.8828 | 1.7295 | 0.9772 | 0.8356 | 0.8500 |
| THYROXINE | 0.9627 | 1.0118 | 0.9798 | 0.9696 | 1.0490 | 1.0658 | 0.7434 | 0.9739 | 1.0352 | 1.0726 | 0.9532 | 0.8578 | 1.0738 | 0.9279 | 1.0532 | 1.0263 | 1.0072 | 1.0392 |
| TRICOSANOIC ACID | NA | NA | 0.8996 | 1.1791 | NA | NA | NA | NA | 0.6764 | 0.6963 | NA | NA | NA | NA | 1.1512 | 0.7489 | NA | 2.4116 |
| TRIDECANOIC ACID | 0.9454 | 1.5100 | 0.8308 | 0.9545 | 0.8662 | 1.0096 | 3.2918 | 1.0871 | 0.7458 | 0.9967 | 0.6690 | 0.9484 | 0.9952 | 0.7807 | 0.9618 | 0.9779 | 0.7863 | 0.7294 |
| TRYPTOPHAN (*) | 0.8698 | 0.9938 | 0.9620 | 1.0038 | 0.9475 | 1.0498 | 0.8437 | 1.0696 | 0.8834 | 0.9157 | 1.0440 | 1.0310 | 1.0327 | 1.0594 | 1.1282 | 1.0814 | 1.0254 | 1.0406 |
| TRYPTOPHANAMIDE | 1.0108 | 1.0144 | 1.0235 | 0.9643 | 0.9180 | 1.0613 | NA | 1.0201 | 1.0757 | 0.9494 | 1.0280 | 1.0016 | 0.9977 | 0.8087 | 0.9679 | 0.9495 | 0.9573 | 1.1428 |
| TYRAMINE | 0.9238 | 1.1065 | 0.2613 | 0.3719 | 1.2096 | 1.7379 | 1.7739 | 1.0705 | 0.1850 | 0.5516 | NA | NA | 1.4156 | NA | 1.2073 | 1.1221 | 1.3983 | 0.4639 |
| URACIL | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| URATE | 0.8505 | 0.9234 | 0.9104 | 0.9745 | 1.0510 | 1.0245 | 0.8676 | 0.8894 | 1.0578 | 1.0255 | 0.9926 | 0.9255 | 1.0238 | 1.0960 | 1.1321 | 1.0805 | 1.1362 | 1.1468 |
| URIDINE | 0.7941 | 0.8611 | 1.1221 | 1.0978 | 0.8993 | 0.8122 | 0.8794 | 0.8618 | 1.0224 | 1.1840 | 1.1106 | 1.2417 | 0.9404 | 1.0952 | 0.9786 | 0.8905 | 1.1516 | 1.0918 |
| URIDINE 5`-DIPHOSPHATE | 0.8939 | 1.1057 | 0.8845 | 0.8358 | 1.0795 | 1.0494 | 1.6402 | 0.8757 | 1.0823 | 1.0588 | NA | NA | 1.1971 | 0.6010 | 0.9838 | 1.1160 | 1.0440 | 0.9155 |
| URIDINE 5`-DIPHOSPHOGLUCOSE | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| URIDINE 5`-TRIPHOSPHATE | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| UROCANATE | 0.3970 | 0.5359 | 0.7282 | 0.9997 | 1.3891 | 0.6639 | 0.1872 | NA | 1.3556 | NA | 0.2637 | 2.1404 | 0.2550 | 3.4302 | 0.2534 | 0.4435 | 1.4520 | 1.6179 |
| URSODIOL | 0.5076 | 0.7681 | 1.0423 | 1.2535 | 0.1760 | 0.2413 | 0.2159 | 0.7617 | 0.4157 | 0.4417 | 0.1024 | 2.1776 | 2.2872 | 3.1272 | 0.2279 | 0.6766 | 0.8305 | 1.0262 |
| VITAMIN B12 | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| XANTHINE | 0.9287 | 1.0165 | 0.8783 | 1.0037 | 0.9860 | 1.2678 | 1.1253 | 1.1411 | 1.1201 | 0.9761 | 0.7435 | 1.2588 | 1.0962 | 0.8160 | 1.2318 | 1.0576 | 0.9276 | 0.8218 |
| XANTHOSINE | 1.0697 | 1.1344 | 1.0141 | 1.1168 | 0.9356 | NA | 1.4488 | 0.7638 | NA | NA | 0.8631 | NA | NA | NA | NA | NA | 0.7312 | 0.5498 |
| XANTHOSINE 5`-MONOPHOSPHATE | 0.9220 | 1.1242 | 1.0477 | 0.9809 | 0.8954 | 0.8268 | 0.5765 | NA | NA | 1.0761 | NA | 0.8778 | 1.0604 | NA | 1.0511 | NA | 1.1743 | 0.9305 |
| XANTHURENIC ACID | 1.4820 | 0.6132 | NA | NA | NA | 1.2684 | NA | NA | NA | NA | NA | NA | 0.6364 | NA | NA | NA | NA | NA |
| XYLONATE (*) | NA | 0.6408 | 0.6856 | 0.9918 | 0.0583 | 0.1290 | 0.9532 | NA | 0.2201 | 0.4648 | 4.4373 | 0.2968 | NA | 1.2661 | 0.4395 | 0.8096 | 1.7088 | 1.5486 |
Factors:
| F1 | Gender:Female | OSA:Negative | Sampling:After SWS onset | PCOS:No PCOS | CPAP:No CPAP |
| F2 | Gender:Female | OSA:Negative | Sampling:After SWS onset | PCOS:PCOS | CPAP:No CPAP |
| F3 | Gender:Female | OSA:Negative | Sampling:Morning fasting | PCOS:No PCOS | CPAP:No CPAP |
| F4 | Gender:Female | OSA:Negative | Sampling:Morning fasting | PCOS:PCOS | CPAP:No CPAP |
| F5 | Gender:Female | OSA:Positive | Sampling:After SWS onset | PCOS:No PCOS | CPAP:After CPAP |
| F6 | Gender:Female | OSA:Positive | Sampling:After SWS onset | PCOS:No PCOS | CPAP:No CPAP |
| F7 | Gender:Female | OSA:Positive | Sampling:After SWS onset | PCOS:PCOS | CPAP:After CPAP |
| F8 | Gender:Female | OSA:Positive | Sampling:After SWS onset | PCOS:PCOS | CPAP:No CPAP |
| F9 | Gender:Female | OSA:Positive | Sampling:Morning fasting | PCOS:No PCOS | CPAP:After CPAP |
| F10 | Gender:Female | OSA:Positive | Sampling:Morning fasting | PCOS:No PCOS | CPAP:No CPAP |
| F11 | Gender:Female | OSA:Positive | Sampling:Morning fasting | PCOS:PCOS | CPAP:After CPAP |
| F12 | Gender:Female | OSA:Positive | Sampling:Morning fasting | PCOS:PCOS | CPAP:No CPAP |
| F13 | Gender:Male | OSA:Negative | Sampling:After SWS onset | PCOS:No PCOS | CPAP:No CPAP |
| F14 | Gender:Male | OSA:Negative | Sampling:Morning fasting | PCOS:No PCOS | CPAP:No CPAP |
| F15 | Gender:Male | OSA:Positive | Sampling:After SWS onset | PCOS:No PCOS | CPAP:After CPAP |
| F16 | Gender:Male | OSA:Positive | Sampling:After SWS onset | PCOS:No PCOS | CPAP:No CPAP |
| F17 | Gender:Male | OSA:Positive | Sampling:Morning fasting | PCOS:No PCOS | CPAP:After CPAP |
| F18 | Gender:Male | OSA:Positive | Sampling:Morning fasting | PCOS:No PCOS | CPAP:No CPAP |
