Data for (Study ST003623)
(Analysis AN005953)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 | F19 | F20 | F21 | F22 | F23 | F24 | F25 | F26 | F27 | F28 | F29 | F30 | F31 | F32 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1-Methyladenosine | 0.8640 | 0.7409 | 0.7529 | 0.8104 | 0.6925 | 0.8980 | 1.0433 | 0.8983 | 2.0210 | 1.5442 | 1.5679 | 1.7325 | 1.1302 | 1.0743 | 0.9265 | 1.2240 | 0.7021 | 0.7921 | 0.8866 | 0.9092 | 0.7279 | 0.8086 | 1.0008 | 1.1961 | 0.7923 | 0.8953 | 0.7776 | 0.8951 | 1.0349 | 0.7447 | 0.9645 | 0.9514 |
| 1-Methylguanosine | 1.1647 | 1.7029 | 2.2733 | 0.1843 | 1.4777 | 1.7622 | 1.5805 | 1.0418 | 0.0834 | 0.2217 | NA | 0.0739 | NA | NA | 0.0674 | 0.3036 | 1.1689 | 0.3831 | 1.6902 | 0.0784 | 0.7911 | 0.2110 | 1.7713 | 0.8022 | 2.2371 | 0.8140 | 1.6307 | 1.4168 | 1.1341 | 0.2130 | 1.7392 | 0.9814 |
| 1-Methylxanthine | 1.5888 | 0.7971 | 1.4894 | 0.8207 | 1.7987 | 1.0005 | 1.6430 | 0.9678 | 1.1539 | 1.0779 | 0.7633 | 1.1857 | 1.0129 | 0.6951 | 0.9018 | 0.8321 | 0.6796 | 1.0398 | 0.7364 | 1.0071 | 0.8790 | 1.1424 | 0.7442 | 1.0741 | 0.9375 | 0.7448 | 0.8584 | 0.6575 | 1.0486 | 0.7741 | 1.0800 | 0.8679 |
| 1-Pyrroline-5-carboxylic acid | 0.5929 | 0.8413 | 0.6401 | 1.0587 | 0.7004 | 1.2141 | 0.7897 | 1.2725 | 1.7097 | 1.7051 | 1.1745 | 1.1134 | 0.7398 | 0.9387 | 1.3873 | 0.7886 | 0.9457 | 1.6138 | 1.2718 | 1.1799 | 0.9907 | 0.8205 | 1.0839 | 0.7856 | 0.8908 | 0.5661 | 0.9313 | 0.8317 | 0.7975 | 1.0263 | 0.7515 | 0.8461 |
| 2-amino-3-methanesulfinylpropanoic acid | 1.0291 | 0.5760 | 1.1663 | 0.6165 | 1.1328 | 0.5353 | 1.2294 | 0.6398 | 1.6518 | 1.5652 | 1.5901 | 1.7241 | 1.1953 | 1.2309 | 1.3610 | 1.3244 | 0.9187 | 0.5144 | 0.8854 | 0.5055 | 1.0183 | 0.4997 | 1.0040 | 0.5281 | 1.0937 | 0.6010 | 1.1299 | 0.7912 | 1.1672 | 0.7597 | 1.2218 | 0.7932 |
| 2-Hydroxy-3-methylbutyric acid | 0.8968 | 0.6550 | 0.8955 | 0.6954 | 0.8288 | 0.7499 | 0.8479 | 0.7226 | 1.6900 | 1.5739 | 1.4455 | 1.7801 | 1.2247 | 1.0940 | 1.0961 | 1.0831 | 0.8671 | 0.7814 | 0.9586 | 0.8555 | 0.9773 | 0.7454 | 0.9565 | 0.8523 | 0.9836 | 0.9271 | 0.9118 | 0.7889 | 1.0765 | 0.9002 | 1.1876 | 0.9510 |
| 2-Hydroxybutyric acid/3-Hydroxyisobutyric acid | 0.9268 | 0.8586 | 0.9198 | 0.8726 | 0.8566 | 0.8782 | 0.8974 | 0.8044 | 1.6327 | 1.4350 | 1.2206 | 1.5610 | 1.4096 | 1.0833 | 1.0624 | 1.1557 | 0.9735 | 0.8980 | 0.9270 | 0.9224 | 0.9298 | 0.8980 | 0.9609 | 1.0093 | 0.8326 | 0.8750 | 0.8556 | 0.7656 | 0.8948 | 0.8728 | 0.9667 | 0.8436 |
| 2-Hydroxymyristic acid | 2.1429 | 0.9168 | 1.5777 | 1.0762 | 0.9971 | 1.4038 | 0.6047 | 0.5066 | 1.1614 | 1.0203 | 1.0700 | 2.2166 | 0.9517 | 0.5202 | 0.4833 | 1.0463 | 0.5766 | 0.5574 | 0.6106 | 0.7942 | 1.2075 | 0.8323 | 1.1375 | 1.5795 | 0.7325 | 0.4362 | 0.4036 | 0.7178 | 0.8606 | 1.0890 | 1.4919 | 1.2773 |
| 2-Hydroxypalmitic acid | 0.9178 | 1.1445 | 0.7301 | 1.0734 | 1.1664 | 1.5581 | 0.8085 | 1.1829 | 1.2999 | 1.3292 | 1.2172 | 2.1386 | 1.1123 | 0.7976 | 0.7388 | 0.7082 | 0.9195 | 0.7001 | 0.5616 | 1.2041 | 0.7076 | 1.3463 | 0.7519 | 1.3384 | 0.6596 | 0.9678 | 0.5397 | 0.6386 | 0.9792 | 0.9026 | 0.9231 | 0.9365 |
| 2-Phosphoglyceric acid/3-Phosphoglyceric acid | 0.9472 | 1.0527 | 0.9457 | 1.0114 | 0.8409 | 0.8765 | 0.8948 | 0.8353 | 0.9498 | 0.9357 | 0.9205 | 0.9633 | 1.0880 | 1.1712 | 1.1707 | 1.0389 | 1.0602 | 1.5013 | 1.0267 | 1.0332 | 0.9391 | 1.1039 | 1.1328 | 1.1298 | 0.9119 | 0.9722 | 0.9529 | 0.9658 | 0.8691 | 0.9771 | 0.8977 | 0.8839 |
| 3-Hydroxyanthranilic acid | 0.4866 | 0.8127 | 0.9653 | 1.1228 | 0.6427 | 1.0126 | 0.6096 | 1.0391 | 1.3097 | 1.0413 | 1.0219 | 1.4524 | 0.8290 | 1.0061 | 1.4539 | 0.9200 | 0.6749 | 1.3914 | 1.4445 | 1.5810 | 1.1927 | 1.2691 | 1.8353 | 0.7051 | 0.6472 | 1.2447 | 0.5172 | 0.3623 | 0.5663 | 0.8439 | 1.1843 | 0.8143 |
| 3-Methyl-2-oxovaleric acid | 0.9043 | 0.8385 | 1.1198 | 0.8126 | 1.0207 | 1.1242 | 0.9444 | 1.0336 | 1.6378 | 1.6321 | 1.4020 | 1.7760 | 1.2470 | 0.9634 | 1.0422 | 1.0067 | 0.6428 | 1.0762 | 0.6856 | 1.0212 | 0.7907 | 1.0181 | 0.6788 | 1.1545 | 0.6563 | 0.8120 | 0.6559 | 0.7707 | 0.7370 | 0.9815 | 0.7830 | 1.0305 |
| 3-Methyl pyruvic acid | 0.4402 | 1.6694 | 0.6199 | 1.3404 | 0.7896 | 0.9223 | 0.4996 | 0.7985 | 0.9347 | 0.8481 | 0.6336 | 0.8221 | 1.3557 | 0.8820 | 1.0462 | 1.3464 | 0.6175 | 1.1154 | 1.0320 | 1.7269 | 0.9210 | 1.4364 | 0.7786 | 1.5389 | 1.1065 | 1.0338 | 0.7445 | 1.1469 | 1.0980 | 1.0809 | 0.9236 | 0.7506 |
| 4a-Carbinolamine tetrahydrobiopterin | 0.5245 | 1.1289 | 1.0238 | 0.7596 | 0.5113 | 0.8629 | 0.9497 | 0.7870 | 1.2019 | 0.9817 | 0.9521 | 1.3929 | 1.2263 | 1.5503 | 0.9327 | 1.2281 | 0.8786 | 1.1167 | 1.0646 | 0.9322 | 1.0948 | 1.1638 | 0.9470 | 1.0563 | 1.0672 | 1.0744 | 0.8164 | 0.8654 | 1.1552 | 1.0436 | 1.0053 | 0.7047 |
| 4-Acetamidobutanoic acid | 0.9283 | 1.0547 | 0.8453 | 1.1454 | 0.8528 | 0.9601 | 0.7706 | 0.8728 | 1.3457 | 1.1552 | 0.9691 | 1.3392 | 1.2481 | 1.2180 | 1.1914 | 1.1787 | 0.7699 | 0.8683 | 0.7632 | 1.0384 | 0.8259 | 1.0105 | 0.8375 | 1.1315 | 1.0185 | 1.0691 | 0.8004 | 0.8569 | 0.9679 | 0.9746 | 1.0103 | 0.9818 |
| 4-Guanidinobutanoic acid | 1.5767 | 0.8263 | 1.8096 | 0.7957 | 1.6998 | 0.9899 | 1.5713 | 0.9151 | 1.1278 | 1.0345 | 0.9364 | 1.2065 | 1.1824 | 0.9549 | 1.0974 | 0.9684 | 0.6535 | 0.8398 | 0.7231 | 0.8462 | 0.7373 | 0.9341 | 0.6734 | 0.9521 | 0.9281 | 0.7435 | 0.8902 | 0.6291 | 1.0394 | 0.8065 | 1.1013 | 0.8096 |
| 4-Hydroxybenzaldehyde | 0.9771 | 0.7843 | 1.0084 | 0.7607 | 1.0887 | 1.0233 | 1.0909 | 0.6487 | 1.2151 | 1.2009 | 1.0779 | 1.2349 | 1.3684 | 1.4232 | 1.1673 | 1.2717 | 0.8986 | 0.7937 | 1.0121 | 0.6790 | 1.1126 | 0.7282 | 0.9774 | 0.6315 | 0.9589 | 0.8852 | 0.8276 | 1.0637 | 1.1932 | 0.8094 | 1.0585 | 1.0290 |
| 4-Hydroxybenzoic acid/Dihydroxybenzaldehyde | 1.1052 | 0.9165 | 1.0281 | 0.9192 | 1.0702 | 0.9272 | 1.0275 | 0.9427 | 1.3116 | 1.1972 | 1.0815 | 1.3519 | 0.9809 | 0.9200 | 0.9892 | 0.8999 | 1.0592 | 0.8932 | 1.0187 | 0.9854 | 0.9335 | 0.8943 | 0.9630 | 0.9188 | 0.9428 | 0.9637 | 0.9489 | 0.9627 | 1.0024 | 0.8897 | 0.9776 | 0.9773 |
| 4-Imidazolone-5-propionic acid/Imidazolelactic acid | 0.2549 | 0.1773 | 0.4757 | 0.6468 | 0.1523 | 0.9091 | 0.4442 | 1.3918 | 1.9255 | 2.2721 | 0.7709 | 2.2677 | 1.2674 | 1.2885 | 1.3601 | 1.3349 | 0.9340 | 0.9229 | 0.5895 | 1.3440 | 0.9323 | 0.7071 | 1.0947 | 0.6628 | 0.7844 | 0.6244 | 0.8576 | 0.9042 | 0.9705 | 1.1667 | 1.1558 | 1.4101 |
| 5-Aminopentanoic acid | 1.0485 | 0.8352 | 1.1416 | 0.8939 | 0.8738 | 0.9979 | 0.9748 | 0.9315 | 1.3711 | 1.2078 | 1.0365 | 1.4316 | 1.1694 | 0.9887 | 1.0844 | 1.1142 | 0.8520 | 1.0303 | 0.8410 | 0.9786 | 0.8881 | 1.1065 | 0.9110 | 1.1186 | 0.8725 | 0.8551 | 0.8058 | 0.8256 | 0.9842 | 0.9053 | 1.0543 | 0.8701 |
| 5^-Methylthioadenosine | 0.8599 | 0.9945 | 0.9421 | 0.9217 | 0.8147 | 0.9741 | 0.9019 | 0.9250 | 1.1370 | 0.9512 | 0.8727 | 1.1778 | 1.1242 | 1.0672 | 1.0562 | 1.0436 | 0.9387 | 0.9678 | 0.9499 | 1.0563 | 1.0195 | 0.9711 | 1.0566 | 1.0958 | 1.1316 | 0.9514 | 0.9953 | 0.8300 | 1.1197 | 0.9082 | 1.2541 | 0.9900 |
| 6-Dimethylaminopurine | 1.2368 | 0.9322 | 1.3402 | 0.8881 | 1.2973 | 0.9864 | 1.3526 | 0.9450 | 1.8250 | 1.4239 | 1.1660 | 1.5738 | 1.2535 | 1.0434 | 0.9961 | 1.1195 | 0.7549 | 0.7547 | 0.7528 | 0.7936 | 0.7413 | 0.8487 | 0.7404 | 0.8393 | 0.8598 | 0.7287 | 0.7724 | 0.6749 | 0.9001 | 0.6858 | 1.0080 | 0.7648 |
| Acetylcholine | 1.0583 | 0.8366 | 1.0495 | 0.8990 | 0.9423 | 1.0829 | 0.9606 | 1.0901 | 1.2891 | 1.1654 | 0.9817 | 1.2718 | 1.0285 | 0.9074 | 0.9353 | 0.9750 | 0.9483 | 1.0369 | 0.9778 | 1.1295 | 1.1021 | 0.9716 | 0.9873 | 1.1378 | 0.8875 | 0.8572 | 0.8562 | 0.8271 | 0.9581 | 0.8765 | 1.0421 | 0.9306 |
| Acisoga | 1.1802 | 0.9332 | 1.2386 | 0.9079 | 1.3372 | 0.9357 | 1.2435 | 0.8691 | 0.8987 | 0.9805 | 1.0284 | 0.8777 | 0.8340 | 0.8722 | 0.8919 | 0.8766 | 1.1853 | 0.8693 | 1.1680 | 0.8321 | 1.1395 | 0.9135 | 1.1262 | 0.8105 | 1.0775 | 0.8578 | 1.1630 | 0.9366 | 1.0662 | 0.9670 | 1.0357 | 0.9466 |
| Acrylic acid/Pyruvaldehyde | 0.5197 | 1.5414 | 0.4347 | 1.7210 | 0.5915 | 0.8735 | 0.4317 | 0.9376 | 1.1259 | 0.9075 | 0.6986 | 0.8282 | 1.1071 | 1.1314 | 1.2337 | 1.2139 | 0.5879 | 1.3985 | 0.7882 | 1.7139 | 0.9709 | 1.4950 | 0.9391 | 1.6288 | 0.6886 | 1.0259 | 0.6813 | 0.9135 | 1.0240 | 1.2622 | 0.7122 | 0.8726 |
| Adenine | 0.8505 | 0.8579 | 0.9007 | 1.0366 | 0.8209 | 1.1432 | 0.8843 | 0.9201 | 0.9010 | 0.7785 | 0.8785 | 1.1859 | 1.2333 | 1.0017 | 1.0108 | 1.0400 | 0.9360 | 1.1622 | 0.8202 | 1.2233 | 0.9987 | 1.1384 | 1.0983 | 0.9399 | 1.0989 | 0.8135 | 1.1117 | 0.7172 | 1.0114 | 1.0591 | 1.4269 | 1.0005 |
| Adenosine/Deoxyguanosine | 0.7783 | 0.8389 | 0.7912 | 0.9174 | 0.7449 | 0.8703 | 0.7302 | 0.8937 | 1.5366 | 1.3999 | 1.1081 | 1.6147 | 1.6391 | 1.3740 | 1.2642 | 1.2500 | 0.8401 | 1.0325 | 0.8903 | 0.9650 | 0.8900 | 0.9080 | 0.8470 | 1.0307 | 0.8081 | 0.8969 | 0.7263 | 0.7497 | 0.9427 | 0.8800 | 0.9726 | 0.8689 |
| Adipic acid/2-Methylglutaric acid | 0.9271 | 0.8211 | 1.0308 | 1.1524 | 0.8655 | 0.1361 | 1.0365 | 0.7151 | 0.7526 | 1.2091 | 0.8644 | 1.1707 | 0.8556 | 1.3928 | 1.0986 | 1.1427 | 1.1294 | 1.0283 | 0.7593 | 1.2033 | 0.8169 | 1.8951 | 1.0698 | 1.1929 | 0.9418 | 1.4207 | 0.5621 | 1.2038 | 0.8709 | 0.9242 | 0.9059 | 0.9045 |
| Ala-Ala | 0.9823 | 0.6996 | 1.0900 | 0.9969 | 0.3829 | 0.6385 | 0.7786 | 0.8516 | 2.0079 | 1.6602 | 1.1775 | 1.3935 | 1.5422 | 1.3908 | 0.8794 | 1.3673 | 0.5142 | 0.8833 | 0.8863 | 0.9929 | 0.9546 | 0.9836 | 0.6579 | 1.2741 | 0.8717 | 0.9175 | 0.8292 | 0.7937 | 0.9551 | 0.8300 | 1.1713 | 0.6454 |
| Ala-His | 1.1137 | 0.5887 | 1.0860 | 0.8870 | 0.7863 | 0.7902 | 0.8929 | 0.7596 | 1.5926 | 1.2651 | 0.9289 | 1.5765 | 1.5473 | 1.1559 | 1.1905 | 1.1965 | 0.7586 | 0.8726 | 0.8949 | 1.0340 | 0.7645 | 0.8334 | 0.9068 | 1.0077 | 0.9706 | 0.9575 | 0.8269 | 0.6284 | 1.0540 | 0.8766 | 1.1953 | 1.0606 |
| Ala-Leu | 1.1421 | 0.7924 | 1.1606 | 0.9124 | 1.0720 | 0.9913 | 1.0979 | 1.0226 | 1.0212 | 0.8552 | 0.7802 | 0.9726 | 0.9430 | 0.8782 | 0.9524 | 0.8675 | 0.9650 | 1.0174 | 1.0558 | 1.1843 | 1.1886 | 0.9544 | 1.0708 | 1.1401 | 1.0039 | 0.9784 | 0.8759 | 0.8208 | 1.0368 | 0.9860 | 1.2122 | 1.0480 |
| Alanine/Sarcosine | 1.3871 | 0.7157 | 1.4824 | 0.8825 | 1.2888 | 0.9675 | 1.3870 | 1.0135 | 1.3072 | 1.1352 | 1.0065 | 1.3799 | 1.0650 | 0.9208 | 0.9819 | 1.0273 | 0.6580 | 0.8843 | 0.7532 | 0.9413 | 0.7474 | 0.8680 | 0.7421 | 1.0528 | 0.9947 | 0.8200 | 0.9000 | 0.6624 | 1.0701 | 0.8201 | 1.2076 | 0.9300 |
| Ala-Pro | 0.9359 | 0.9070 | 0.8545 | 1.1564 | 0.6844 | 0.7412 | 0.6605 | 0.7422 | 1.4365 | 1.2716 | 1.1127 | 1.6118 | 1.4609 | 1.4901 | 1.3762 | 1.5119 | 0.7097 | 0.9081 | 0.7338 | 1.0068 | 0.6030 | 0.9780 | 0.4789 | 0.9076 | 1.0698 | 1.0132 | 1.0642 | 0.7099 | 1.0385 | 0.9333 | 1.1512 | 0.7405 |
| Ala-Val/N(2)-Acetyllysine | 0.9885 | 0.8849 | 1.0106 | 0.9383 | 0.8474 | 0.9062 | 0.8925 | 0.8404 | 1.3727 | 1.2988 | 1.0642 | 1.4285 | 1.1812 | 1.1765 | 1.1566 | 1.2544 | 0.8167 | 0.9126 | 0.9303 | 0.9775 | 0.8492 | 0.9577 | 0.7989 | 0.8906 | 0.9544 | 0.9833 | 0.8809 | 0.8579 | 0.9616 | 0.9296 | 1.0533 | 1.0038 |
| Allantoin | 0.9742 | 0.9002 | 0.9864 | 1.0116 | 0.8936 | 0.9987 | 0.8928 | 0.9145 | 1.3734 | 1.2187 | 1.0306 | 1.4027 | 1.2645 | 1.1221 | 1.1523 | 1.1454 | 0.7576 | 0.9194 | 0.8147 | 0.9834 | 0.8727 | 0.9917 | 0.8765 | 1.0764 | 0.9039 | 0.9749 | 0.7928 | 0.8344 | 1.0046 | 0.8846 | 1.0672 | 0.9635 |
| AMP | 0.9491 | 0.8134 | 0.8092 | 0.7564 | 1.0271 | 0.8454 | 1.0129 | 0.7513 | 1.2191 | 1.1479 | 1.3070 | 1.3567 | 1.1694 | 1.3809 | 1.2407 | 1.3178 | 0.9430 | 0.4989 | 0.9451 | 0.6944 | 1.0024 | 0.6345 | 0.9830 | 0.8140 | 1.0563 | 1.0659 | 0.9683 | 0.9173 | 1.3287 | 0.9264 | 1.1986 | 0.9185 |
| Arabitol | 1.4201 | 0.7452 | 1.5598 | 0.7960 | 1.4005 | 0.8803 | 1.3191 | 0.9930 | 1.4405 | 1.3246 | 1.2030 | 1.7090 | 1.0650 | 0.9117 | 1.0108 | 1.1163 | 0.6733 | 0.7949 | 0.7076 | 0.8769 | 0.7666 | 0.8152 | 0.7625 | 0.9615 | 0.8843 | 0.7674 | 0.8856 | 0.6826 | 1.0097 | 0.5406 | 1.1608 | 0.8156 |
| Arg-Glu | 1.3242 | 0.6621 | 1.1990 | 0.7471 | 0.9709 | 0.6792 | 1.0039 | 0.7297 | 1.6119 | 1.0093 | 0.7533 | 1.4773 | 1.7059 | 1.2791 | 1.3685 | 1.3338 | 0.6567 | 0.8002 | 0.6598 | 0.9295 | 0.6673 | 0.8821 | 0.7032 | 1.0651 | 1.1093 | 0.9764 | 0.9170 | 0.6259 | 1.0908 | 0.9149 | 1.3077 | 0.8387 |
| Arginine | 0.8652 | 0.9294 | 0.8238 | 1.0261 | 0.7350 | 0.9876 | 0.8105 | 0.9825 | 1.1803 | 1.0576 | 0.9983 | 1.0511 | 1.2623 | 1.1885 | 1.1640 | 1.1605 | 0.9097 | 0.9623 | 0.9298 | 1.0346 | 0.9094 | 1.0095 | 0.9593 | 1.1019 | 0.9578 | 1.0625 | 0.8598 | 0.9497 | 0.9486 | 1.0542 | 1.0285 | 1.0996 |
| Argininosuccinic acid | 0.8272 | 0.6628 | 0.7782 | 0.8776 | 0.5786 | 0.9628 | 0.7937 | 0.9998 | 1.5931 | 1.4440 | 1.3729 | 1.6307 | 1.9983 | 1.8385 | 1.7647 | 1.6716 | 0.4675 | 0.6349 | 0.5566 | 0.8494 | 0.5185 | 0.7703 | 0.5218 | 1.0777 | 0.8398 | 0.8107 | 0.6561 | 0.7434 | 0.9114 | 0.8490 | 1.0962 | 0.9022 |
| Arg-Leu | 0.8828 | 1.0545 | 0.8228 | 1.4254 | 0.8446 | 0.9161 | 0.8308 | 0.8665 | 0.9376 | 0.7322 | 0.7235 | 1.1020 | 1.0793 | 0.9558 | 1.1536 | 0.7736 | 0.7512 | 1.1447 | 0.7660 | 1.1885 | 0.8580 | 1.4391 | 0.7731 | 1.3388 | 0.9727 | 1.1134 | 0.9605 | 0.8746 | 1.2464 | 1.2788 | 1.1827 | 1.0102 |
| Arg-Pro | 0.9137 | 0.8699 | 0.8247 | 1.5051 | 0.7087 | 0.9591 | 0.7160 | 1.3746 | 1.0696 | 1.0833 | 0.8448 | 1.0147 | 1.3638 | 0.9596 | 1.0678 | 0.9057 | 0.6661 | 1.1106 | 0.7786 | 1.2444 | 0.8797 | 1.3268 | 0.6839 | 1.6830 | 0.7533 | 1.0585 | 0.8200 | 0.7191 | 0.8416 | 1.2806 | 0.9668 | 1.0057 |
| Asparagine/Ureidopropionic acid | 0.5893 | 0.7136 | 0.6439 | 0.7981 | 0.4949 | 0.9291 | 0.6008 | 1.0087 | 1.8375 | 1.6419 | 1.4020 | 1.9223 | 1.4740 | 1.1168 | 1.2137 | 1.2437 | 0.7029 | 0.8604 | 0.7450 | 0.9778 | 0.7663 | 0.8757 | 0.8116 | 1.0832 | 0.8343 | 0.9412 | 0.7612 | 0.8584 | 0.9130 | 1.0327 | 1.0760 | 1.1298 |
| Aspartic acid | 0.6406 | 0.7530 | 0.7328 | 0.8170 | 0.5700 | 0.9648 | 0.6064 | 0.9112 | 1.7127 | 1.6050 | 1.3054 | 1.8854 | 1.5073 | 1.1654 | 1.2147 | 1.2154 | 0.8233 | 0.8829 | 0.8605 | 0.8995 | 0.8647 | 0.8597 | 0.8247 | 1.0066 | 0.8630 | 0.9432 | 0.8448 | 0.7085 | 0.9575 | 0.9321 | 1.1172 | 1.0045 |
| Aspartylglycosamine | 0.9590 | 0.7802 | 1.1154 | 0.9312 | 0.9813 | 1.0431 | 0.9513 | 1.1485 | 1.1868 | 1.0670 | 0.9894 | 1.1399 | 1.1094 | 0.9369 | 1.0075 | 1.0813 | 0.8525 | 0.9120 | 0.9166 | 1.0707 | 1.0720 | 0.8728 | 0.9315 | 1.1629 | 0.8457 | 1.1039 | 0.8513 | 0.8182 | 0.9332 | 1.0229 | 1.1137 | 1.0919 |
| Asp-Glu | 1.0475 | 0.5927 | 1.2131 | 0.7005 | 0.9339 | 0.9899 | 0.7898 | 0.9167 | 1.6659 | 1.2251 | 1.1801 | 1.7787 | 1.7883 | 1.0940 | 1.2466 | 1.0915 | 0.7060 | 0.5611 | 0.7961 | 0.4510 | 0.8230 | 0.8449 | 0.6808 | 0.8316 | 1.1168 | 0.9875 | 0.9927 | 0.5918 | 1.2147 | 1.0687 | 1.2274 | 0.8518 |
| Asp-Leu/gamma-Glutamylvaline | 0.6840 | 0.5692 | 0.6077 | 0.6924 | 0.6199 | 0.6943 | 0.5523 | 0.7956 | 1.7269 | 1.3388 | 1.2350 | 1.6710 | 1.9833 | 1.6014 | 1.7147 | 1.9258 | 0.4109 | 0.9714 | 0.5969 | 1.0829 | 0.5047 | 1.0701 | 0.5637 | 1.1963 | 0.7822 | 0.9202 | 0.6317 | 0.8469 | 0.8448 | 0.9309 | 1.0167 | 1.2177 |
| Asp-Lys | 0.9392 | 0.9847 | 0.8686 | 1.5838 | 0.8150 | 0.8816 | 0.7158 | 0.8682 | 1.2286 | 0.6522 | 0.6403 | 1.1460 | 1.6420 | 1.1510 | 1.2321 | 1.1718 | 0.6801 | 0.8254 | 0.7258 | 0.9538 | 0.7813 | 1.2565 | 0.6720 | 1.3518 | 0.9612 | 0.9719 | 0.9668 | 0.7181 | 1.2891 | 1.2206 | 1.2041 | 0.9007 |
| Azelaic acid | 0.7847 | 1.3546 | 1.1110 | 1.3520 | 1.0881 | 1.5856 | 0.7627 | 1.3076 | 0.7264 | 0.7143 | 0.5870 | 1.0918 | 0.6054 | 0.7781 | 0.9371 | 1.1225 | 0.7505 | 0.7140 | 0.9887 | 1.2355 | 0.6715 | 1.2822 | 1.0526 | 1.4522 | 1.0825 | 1.2996 | 0.9972 | 0.7521 | 0.8669 | 0.8388 | 0.9462 | 1.1608 |
| Benzoic acid | 0.9771 | 0.7843 | 1.0084 | 0.7607 | 1.0887 | 1.0233 | 1.0909 | 0.6487 | 1.2151 | 1.2009 | 1.0779 | 1.2349 | 1.3684 | 1.4232 | 1.1673 | 1.2717 | 0.8986 | 0.7937 | 1.0121 | 0.6790 | 1.1126 | 0.7282 | 0.9774 | 0.6315 | 0.9589 | 0.8852 | 0.8276 | 1.0637 | 1.1932 | 0.8094 | 1.0585 | 1.0290 |
| Betaine | 1.0485 | 0.8352 | 1.1416 | 0.8939 | 0.8738 | 0.9979 | 0.9748 | 0.9315 | 1.3711 | 1.2078 | 1.0365 | 1.4316 | 1.1694 | 0.9887 | 1.0844 | 1.1142 | 0.8520 | 1.0303 | 0.8410 | 0.9786 | 0.8881 | 1.1065 | 0.9110 | 1.1186 | 0.8725 | 0.8551 | 0.8058 | 0.8256 | 0.9842 | 0.9053 | 1.0543 | 0.8701 |
| Biotin | 1.0390 | 1.2799 | 0.9074 | 1.0733 | 0.9926 | 1.2254 | 1.0586 | 1.0120 | 1.1060 | 1.2721 | 0.9841 | 1.0101 | 0.9259 | 0.9363 | 0.8976 | 1.0178 | 0.8050 | 1.1260 | 0.9938 | 0.9484 | 0.8304 | 1.1030 | 0.9772 | 1.0044 | 1.0318 | 1.0505 | 1.0224 | 0.7615 | 0.8316 | 0.9125 | 0.9392 | 0.9240 |
| Butylamine | 1.0132 | 0.9541 | 1.0380 | 0.9559 | 1.0655 | 0.9673 | 0.9656 | 0.8859 | 1.1345 | 1.0979 | 0.9192 | 1.1574 | 1.0296 | 1.0778 | 1.1027 | 1.0302 | 0.9766 | 0.9680 | 0.9659 | 0.9698 | 0.9993 | 0.9644 | 0.9143 | 0.9577 | 0.9876 | 0.9619 | 1.0061 | 0.8883 | 1.0563 | 0.9637 | 1.0749 | 0.9505 |
| Caproic acid/Isocaproic acid | 0.5476 | 1.3205 | 1.0880 | 1.5741 | 1.3496 | 1.3713 | 0.7219 | 1.8622 | 0.4766 | 0.4230 | NA | 1.3095 | 0.4617 | 0.2493 | 0.6219 | 0.7514 | 0.8936 | 0.8893 | 1.3250 | 1.4036 | 0.5440 | 1.7600 | 0.5613 | 1.2612 | 1.2935 | 1.7307 | 0.8557 | 0.7390 | 1.0924 | 0.8720 | 0.9831 | 0.6670 |
| CAR 14:1 | 1.0452 | 0.5466 | 1.0939 | 0.4702 | 1.1741 | 1.7896 | 0.4896 | 1.3367 | 0.4598 | 1.0664 | 0.5412 | 0.4747 | 0.4395 | 1.8304 | 1.4130 | 1.7993 | 1.9159 | 0.3503 | 2.5767 | 0.4681 | 1.9804 | 0.5107 | 1.5866 | 1.0386 | 0.7035 | 0.6160 | 0.3837 | 0.9112 | 0.6154 | 0.8670 | 0.8137 | 0.6920 |
| CAR 2:0 | 1.2368 | 0.9322 | 1.3402 | 0.8881 | 1.2973 | 0.9864 | 1.3526 | 0.9450 | 1.8250 | 1.4239 | 1.1660 | 1.5738 | 1.2535 | 1.0435 | 0.9960 | 1.1195 | 0.7549 | 0.7547 | 0.7528 | 0.7936 | 0.7413 | 0.8487 | 0.7404 | 0.8393 | 0.8598 | 0.7287 | 0.7724 | 0.6749 | 0.9001 | 0.6856 | 1.0081 | 0.7648 |
| CAR 3:0 | 0.7947 | 0.7556 | 1.0459 | 0.8336 | 0.8555 | 0.9462 | 0.7665 | 0.8275 | 1.6753 | 1.5290 | 1.3416 | 1.7628 | 1.2185 | 1.0662 | 1.0879 | 0.9995 | 1.0699 | 0.8531 | 1.0739 | 0.9734 | 1.0538 | 0.9605 | 1.0058 | 1.0090 | 0.7509 | 0.7735 | 0.7807 | 0.6882 | 0.9052 | 0.8803 | 0.8718 | 0.8437 |
| CAR 4:0 | 0.9303 | 0.9361 | 0.9875 | 0.9546 | 0.8934 | 1.1229 | 0.7714 | 0.9666 | 1.2935 | 1.4112 | 1.1542 | 1.4135 | 1.2431 | 1.1016 | 1.0477 | 1.0150 | 0.8729 | 0.9073 | 0.9457 | 0.8648 | 0.9282 | 0.9311 | 0.8589 | 0.9682 | 0.8745 | 0.8468 | 0.8675 | 0.8217 | 0.9732 | 0.9169 | 1.1502 | 1.0296 |
| CAR 4:0;3Me | 0.9019 | 0.8672 | 0.9935 | 0.9701 | 0.8767 | 1.1124 | 0.8849 | 1.0298 | 1.3648 | 1.3543 | 1.0800 | 1.4260 | 1.2155 | 0.8823 | 0.9198 | 0.9402 | 1.2196 | 0.8279 | 1.3137 | 0.8762 | 1.2780 | 0.8683 | 1.2630 | 0.9380 | 0.7897 | 0.7260 | 0.7904 | 0.7163 | 0.9207 | 0.8638 | 0.9779 | 0.8113 |
| CAR 6:0 | 1.0664 | 0.9703 | 0.9248 | 1.0712 | 0.8094 | 1.1125 | 0.8389 | 1.3298 | 1.2765 | 1.2886 | 1.0467 | 1.5615 | 1.2548 | 1.0943 | 0.9695 | 1.0705 | 0.7405 | 0.9217 | 0.9751 | 0.8172 | 0.8921 | 1.0423 | 0.7914 | 0.9306 | 0.7146 | 0.8461 | 0.8139 | 0.8146 | 0.8946 | 1.0066 | 1.0821 | 1.0310 |
| Carnitine | 1.0716 | 0.9668 | 1.1471 | 1.0602 | 1.0507 | 1.2102 | 0.9952 | 1.1487 | 1.0785 | 1.0849 | 0.8940 | 1.1786 | 1.0443 | 0.8612 | 0.9077 | 0.9106 | 0.9574 | 1.0834 | 1.0009 | 1.1068 | 1.1027 | 1.0614 | 0.9867 | 1.1177 | 0.8224 | 0.8131 | 0.8310 | 0.7853 | 0.9027 | 0.9135 | 0.9754 | 0.9293 |
| CDP-choline | 1.3936 | 0.6173 | 1.7014 | 0.4351 | 1.6076 | 0.8657 | 1.4816 | 0.6117 | 1.1078 | 1.1193 | 0.8019 | 0.9891 | 1.1178 | 1.1066 | 1.0468 | 0.9228 | 1.0032 | 0.5517 | 1.0636 | 0.6227 | 1.1985 | 0.5858 | 1.0793 | 0.6877 | 1.1972 | 0.8122 | 1.1659 | 0.7674 | 1.4067 | 0.7950 | 1.1973 | 0.9396 |
| CDP-Ethanolamine | 1.1744 | 0.8902 | 1.1812 | 0.8372 | 1.1015 | 0.9063 | 1.2545 | 1.0222 | 1.0227 | 0.9201 | 0.8652 | 1.1773 | 1.4078 | 1.0544 | 1.2282 | 1.1941 | 0.9264 | 0.8568 | 1.0036 | 0.8888 | 0.8193 | 0.7488 | 1.0737 | 0.9640 | 0.9806 | 0.8744 | 0.9089 | 0.7353 | 0.9531 | 0.9003 | 1.1885 | 0.9402 |
| Choline | 1.2494 | 0.8685 | 1.1916 | 0.8553 | 1.1601 | 1.0549 | 1.2871 | 0.9399 | 1.2474 | 0.9633 | 0.8068 | 1.0285 | 1.0731 | 0.8867 | 0.9022 | 0.9561 | 1.0754 | 0.8437 | 1.0608 | 0.9136 | 1.1241 | 0.8201 | 1.1262 | 0.8869 | 1.0218 | 0.9803 | 0.8266 | 0.8968 | 1.1164 | 0.7876 | 1.1043 | 0.9444 |
| Choline phosphate | 0.7356 | 1.0648 | 0.7932 | 1.1096 | 0.7022 | 1.2820 | 0.6253 | 1.1399 | 1.5275 | 1.2667 | 1.0902 | 1.4856 | 1.2944 | 1.0532 | 1.1496 | 1.1276 | 0.9245 | 0.9228 | 0.9553 | 1.0299 | 0.9364 | 1.1136 | 0.9241 | 1.1009 | 0.7627 | 0.8642 | 0.7614 | 0.7043 | 0.8546 | 0.9144 | 0.9191 | 0.8643 |
| Cinnamoylglycine | 0.5631 | 0.9746 | 0.2744 | 0.9416 | 0.5012 | 0.8530 | 0.3503 | 0.8541 | 1.7858 | 1.6331 | 1.4405 | 1.6199 | 1.3135 | 1.5256 | 1.0237 | 1.2830 | 1.1960 | 0.8111 | 1.1727 | 0.9573 | 1.0405 | 1.2443 | 1.0360 | 0.9078 | 0.8047 | 0.6541 | 0.7762 | 0.7612 | 1.0271 | 0.5776 | 1.1844 | 0.9119 |
| cis-4-Hydroxyproline | 0.8862 | 0.7918 | 0.9472 | 0.8960 | 0.8438 | 0.9604 | 0.9204 | 0.9939 | 1.4201 | 1.2626 | 1.1491 | 1.4569 | 1.1103 | 0.9805 | 1.0099 | 1.0682 | 0.8180 | 0.9319 | 0.9018 | 0.9925 | 0.9555 | 0.9500 | 0.9294 | 1.0494 | 0.9478 | 0.9411 | 0.8658 | 0.8394 | 1.0745 | 0.9433 | 1.1028 | 1.0594 |
| Citraconic acid | 0.8857 | 0.6937 | 0.7545 | 0.8366 | 0.7734 | 0.8482 | 0.6917 | 1.0225 | 1.6770 | 1.5472 | 1.3201 | 1.9271 | 1.1511 | 1.1221 | 1.1133 | 1.1081 | 0.6941 | 0.8550 | 0.8250 | 1.0227 | 0.9112 | 1.0465 | 0.7586 | 1.0782 | 0.8890 | 0.9763 | 0.7312 | 0.7303 | 0.9870 | 1.0896 | 0.9707 | 0.9620 |
| Citramalic acid | 0.9219 | 0.8273 | 1.0196 | 0.9233 | 0.8839 | 0.9168 | 0.8196 | 0.9361 | 1.8018 | 1.6525 | 1.3737 | 1.9320 | 1.1974 | 1.0014 | 1.0098 | 0.9731 | 0.6906 | 1.0316 | 0.7333 | 1.1034 | 0.7367 | 1.0283 | 0.6938 | 1.0635 | 0.8022 | 0.8274 | 0.7902 | 0.7400 | 0.8341 | 0.8751 | 0.9905 | 0.8688 |
| Citrulline | 0.5294 | 0.6008 | 0.5958 | 0.6575 | 0.4361 | 0.7891 | 0.4938 | 0.8165 | 2.8074 | 2.4598 | 1.8131 | 3.0134 | 1.6438 | 1.3035 | 1.3073 | 1.2552 | 0.5482 | 0.7393 | 0.5583 | 0.8044 | 0.5601 | 0.7897 | 0.5668 | 0.9846 | 0.5782 | 0.7328 | 0.5329 | 0.6484 | 0.7190 | 0.9038 | 0.8095 | 1.0016 |
| CMP | 0.9846 | 0.5911 | 0.9828 | 1.2319 | 1.0115 | 0.5657 | 1.2865 | 0.7709 | 1.9992 | 1.9739 | 1.6280 | 1.4289 | 1.0491 | 1.4704 | 0.8132 | 2.0336 | 0.7249 | 0.1036 | 0.9909 | 0.1542 | 0.9297 | 0.2684 | 1.3623 | 0.2435 | 0.8156 | 0.7000 | 1.0886 | 0.5529 | 1.0088 | 1.0357 | 1.7003 | 0.4991 |
| Cortisol | 0.9884 | 0.4716 | 1.6946 | 0.1388 | 1.2464 | 0.8316 | 1.0887 | 0.6205 | 2.8586 | 2.5073 | NA | 1.0670 | 0.0369 | 0.8176 | 1.5912 | 1.5898 | 1.0168 | 0.5297 | 0.7661 | 0.1068 | 0.5335 | 0.1110 | 1.3077 | 0.6711 | 1.4302 | 0.6557 | 1.5451 | 0.8666 | 1.3847 | 0.3480 | 1.3579 | 0.8203 |
| Cortol | 1.2482 | 0.9920 | 1.8806 | 0.5026 | 1.4365 | 1.2361 | 1.1693 | 0.9220 | 0.0848 | 0.0413 | NA | 0.2531 | NA | 0.2561 | 0.1653 | 0.5740 | 1.4063 | 0.7499 | 1.2422 | 0.5454 | 0.9477 | 0.5677 | 1.7556 | 0.9736 | 1.8759 | 0.6747 | 1.9034 | 1.1491 | 1.7294 | 0.6641 | 1.8503 | 1.2028 |
| Creatine | 0.8862 | 0.7918 | 0.9473 | 0.8960 | 0.8438 | 0.9604 | 0.9204 | 0.9941 | 1.4201 | 1.2626 | 1.1491 | 1.4568 | 1.1102 | 0.9805 | 1.0098 | 1.0681 | 0.8179 | 0.9319 | 0.9018 | 0.9927 | 0.9554 | 0.9499 | 0.9294 | 1.0494 | 0.9476 | 0.9412 | 0.8657 | 0.8396 | 1.0744 | 0.9432 | 1.1030 | 1.0595 |
| Creatinine | 0.5970 | 0.8470 | 0.6445 | 1.0659 | 0.7052 | 1.2224 | 0.7951 | 1.2812 | 1.7214 | 1.7168 | 1.1826 | 1.1210 | 0.7448 | 0.9452 | 1.3968 | 0.7940 | 0.9522 | 1.6249 | 1.0614 | 1.1880 | 0.9974 | 0.8262 | 1.0914 | 0.7910 | 0.8969 | 0.5700 | 0.9377 | 0.8374 | 0.8029 | 1.0333 | 0.7567 | 0.8519 |
| Crotonic acid | 1.5379 | 0.7378 | 1.8783 | 0.7458 | 1.4663 | 1.0381 | 1.3588 | 0.9033 | 0.8840 | 1.0745 | 0.9014 | 1.1907 | 1.0301 | 0.7361 | 0.8142 | 0.8609 | 1.0553 | 0.8861 | 1.1829 | 0.9761 | 1.2126 | 0.9512 | 1.1050 | 0.9030 | 0.8916 | 0.5617 | 0.9072 | 0.5769 | 1.0617 | 0.8103 | 1.0566 | 0.7034 |
| Cystathionine | 0.3949 | 0.8944 | 0.3704 | 0.9450 | 0.3206 | 1.0708 | 0.3589 | 1.0436 | 1.7764 | 1.7103 | 1.3643 | 1.8878 | 1.3534 | 1.0681 | 1.1640 | 1.1279 | 1.1959 | 0.8483 | 1.4032 | 0.9706 | 1.2145 | 0.9485 | 1.4097 | 1.1100 | 0.7289 | 0.7812 | 0.6301 | 0.6206 | 0.7264 | 0.8360 | 0.8490 | 0.8763 |
| Cysteic acid | 0.7208 | 0.6088 | 0.8753 | 1.1288 | 0.6564 | 0.7888 | 0.6837 | 0.7529 | 1.5320 | 1.4628 | 1.2961 | 1.5741 | 1.5364 | 0.9420 | 0.9223 | 1.6153 | 1.0871 | 0.6544 | 1.2104 | 0.9688 | 1.0444 | 0.8421 | 1.2561 | 0.8182 | 0.8006 | 1.0502 | 0.7892 | 0.8533 | 1.0194 | 0.4522 | 1.0119 | 1.0453 |
| Cystine | 0.9401 | 0.7792 | 1.0649 | 1.0858 | 0.5814 | 0.7579 | 0.8300 | 1.1727 | 1.0473 | 0.8287 | 0.4681 | 1.0368 | 1.5054 | 0.6953 | 1.2669 | 0.8902 | 0.9151 | 1.4752 | 0.8103 | 1.0492 | 1.0880 | 1.1493 | 1.1205 | 1.1248 | 0.7130 | 1.4521 | 0.6465 | 1.1467 | 0.7716 | 1.2431 | 1.2643 | 1.0794 |
| Cytidine | 1.2402 | 0.8202 | 1.3925 | 0.8789 | 1.0868 | 0.7043 | 1.2726 | 1.0579 | 1.5458 | 1.3811 | 1.2216 | 1.4390 | 1.0132 | 1.0950 | 1.0377 | 1.0124 | 0.8580 | 0.7032 | 0.8671 | 0.8297 | 1.1623 | 0.6314 | 0.9935 | 0.9398 | 0.8268 | 0.9268 | 0.7836 | 0.7735 | 0.9098 | 0.7325 | 1.2113 | 0.6513 |
| Deoxyuridine | 1.0923 | 0.7440 | 0.7291 | 0.6842 | 0.7269 | 0.8109 | 1.1481 | 0.7219 | 2.2975 | 1.8565 | 1.6163 | 2.5597 | 1.6366 | 1.0933 | 1.0621 | 1.4439 | 0.2753 | 0.7428 | 0.3325 | 0.6089 | NA | 0.7023 | 0.3790 | 0.9399 | 0.9460 | 0.8470 | 0.7480 | 0.6197 | 0.9643 | 0.6862 | 1.0589 | 0.9259 |
| Dihydrouracil | 0.6830 | 0.8384 | 0.5997 | 0.8840 | 0.5931 | 0.9714 | 0.5984 | 1.0971 | 1.5511 | 1.4835 | 1.2990 | 1.4328 | 1.2869 | 1.1432 | 1.1788 | 1.2069 | 0.8039 | 0.8909 | 0.8236 | 0.9526 | 0.9170 | 0.8983 | 0.9228 | 1.0908 | 0.9377 | 1.0831 | 0.8416 | 0.9303 | 0.9527 | 1.0522 | 1.0456 | 1.0097 |
| Dimethylarginine | 0.7372 | 0.7812 | 0.7164 | 0.9182 | 0.5951 | 0.8966 | 0.7702 | 0.9532 | 1.2752 | 1.1848 | 1.1935 | 1.3254 | 1.4183 | 1.4024 | 1.2382 | 1.3073 | 0.7947 | 0.9374 | 0.8539 | 1.1008 | 0.8215 | 0.8780 | 0.9328 | 1.1011 | 0.9482 | 1.1351 | 0.7449 | 0.9085 | 0.9120 | 1.0185 | 1.0301 | 1.1693 |
| Dimethylglycine | 1.4876 | 0.7959 | 1.6998 | 0.8327 | 1.5112 | 0.9762 | 1.3944 | 0.9294 | 0.9972 | 1.0287 | 0.8502 | 1.1397 | 1.0404 | 0.8074 | 0.8006 | 0.7538 | 1.0857 | 0.9478 | 1.1333 | 0.9381 | 1.2279 | 0.9074 | 1.1317 | 0.9277 | 0.8743 | 0.6351 | 0.9091 | 0.6186 | 1.0226 | 0.7347 | 1.1209 | 0.7398 |
| Dimethyluric acid | 0.8989 | 1.0057 | 1.0554 | 0.9434 | 0.9056 | 0.8647 | 1.0144 | 0.8787 | 1.0726 | 0.9340 | 1.1651 | 1.1368 | 1.2667 | 1.0099 | 1.0114 | 0.8701 | 1.0539 | 0.9469 | 0.9249 | 0.7517 | 1.1205 | 0.7868 | 1.0048 | 0.8590 | 1.0670 | 0.7973 | 1.1679 | 0.8858 | 0.9823 | 1.0923 | 1.3264 | 1.1992 |
| Dimethylxanthine | 0.4702 | 1.6476 | 0.3071 | 1.7767 | 0.4195 | 0.8512 | 0.3698 | 0.8594 | 1.1500 | 0.6773 | 0.6274 | 0.7578 | 1.1183 | 1.0061 | 1.1888 | 1.1970 | 0.5549 | 1.2606 | 0.7803 | 1.5261 | 0.9094 | 2.7282 | 0.9426 | 1.6709 | 0.7253 | 1.0528 | 0.6410 | 0.9618 | 1.0183 | 1.2471 | 0.7074 | 0.8486 |
| DOPA | 0.5907 | 0.7094 | 0.6880 | 0.7132 | 0.4745 | 0.8468 | 0.5972 | 0.8794 | 1.9601 | 1.8872 | 1.5897 | 2.1686 | 1.5433 | 1.3724 | 1.4379 | 1.3512 | 0.6801 | 0.8227 | 0.7149 | 0.8704 | 0.6633 | 0.8657 | 0.7245 | 1.0308 | 0.7317 | 0.8404 | 0.6596 | 0.7570 | 0.8718 | 1.0252 | 0.9365 | 0.9958 |
| Dopamine | 1.0224 | 0.9546 | 1.0850 | 0.8554 | 1.0202 | 0.9649 | 1.0599 | 0.9303 | 1.0705 | 1.0526 | 1.0611 | 1.1027 | 1.0964 | 0.9823 | 0.9850 | 0.9870 | 1.0613 | 0.8965 | 1.0509 | 0.9572 | 0.9897 | 0.9418 | 1.0284 | 0.9130 | 1.0241 | 0.9270 | 0.9867 | 0.9315 | 1.0326 | 0.9660 | 1.0438 | 1.0194 |
| Erythrose | 0.4919 | 1.5381 | 0.4278 | 1.5803 | 0.5256 | 0.8355 | 0.4618 | 1.0555 | 1.1320 | 0.8909 | 0.7012 | 0.8134 | 1.0929 | 1.1203 | 1.5716 | 1.3568 | 0.5854 | 1.2514 | 0.7598 | 1.7376 | 0.9697 | 1.2453 | 0.9898 | 1.5389 | 0.7299 | 1.0858 | 0.5700 | 0.9544 | 1.1369 | 1.1694 | 0.8297 | 0.8506 |
| FMN | 0.8710 | 1.2273 | 0.7385 | 1.4886 | 0.7510 | 0.9204 | 0.8359 | 0.8734 | 0.6526 | 0.6616 | 0.7481 | 0.6784 | 1.0635 | 1.2414 | 1.1231 | 1.1178 | 0.9910 | 0.8859 | 1.0931 | 1.0261 | 1.1129 | 1.1413 | 1.0792 | 1.0705 | 1.0510 | 1.1973 | 0.9725 | 1.1327 | 1.0996 | 1.0964 | 1.0093 | 1.0485 |
| Fructose 1,6-bisphosphate | 2.1861 | 0.6031 | 2.4061 | 0.5687 | 2.1008 | 0.9645 | 2.1732 | 1.1861 | 0.7869 | 0.8419 | 0.5846 | 1.3235 | 0.6038 | 0.4402 | 0.7047 | 0.5651 | 0.5975 | 0.8709 | 0.7039 | 0.9734 | 0.8617 | 0.8799 | 0.9199 | 1.1396 | 0.8737 | 0.6276 | 1.0333 | 0.4211 | 1.1467 | 0.6644 | 1.4104 | 0.8369 |
| Fructose 6-phosphate | 0.9050 | 0.7965 | 0.9667 | 0.8181 | 0.7218 | 0.8000 | 0.8018 | 0.8845 | 1.9057 | 1.5574 | 1.3914 | 1.7617 | 1.3536 | 1.2373 | 1.2669 | 1.2670 | 0.8104 | 0.7171 | 0.7983 | 0.7671 | 0.8357 | 0.7722 | 0.8003 | 0.8587 | 0.9173 | 0.8353 | 0.8279 | 0.7946 | 0.9408 | 0.8755 | 1.0729 | 0.9407 |
| Fucose 1-phosphate | 0.9887 | 0.7239 | 1.1433 | 0.8208 | 1.0087 | 0.9023 | 1.0383 | 0.7025 | 1.1858 | 1.1875 | 1.1272 | 1.3473 | 1.0625 | 1.1489 | 1.1294 | 1.0301 | 0.7289 | 0.9053 | 0.8035 | 0.7619 | 0.8619 | 0.8687 | 0.6431 | 0.8104 | 1.0829 | 1.0263 | 1.1482 | 0.9651 | 1.3093 | 1.1189 | 1.2946 | 1.1237 |
| Galactaric acid | 1.3003 | 1.1312 | 1.2311 | 0.9231 | 1.1059 | 1.0513 | 1.3288 | 1.1634 | 0.5263 | 0.5921 | 0.7793 | 0.7408 | 0.4335 | 0.2150 | 1.0659 | 0.4572 | 1.0031 | 1.0938 | 1.4716 | 1.1692 | 1.1406 | 1.6824 | 1.1772 | 1.2934 | 1.0633 | 1.2367 | 1.0246 | 1.0340 | 0.6630 | 0.9170 | 1.0027 | 0.9823 |
| gamma-Aminobutyric acid | 1.4876 | 0.7959 | 1.6998 | 0.8327 | 1.5112 | 0.9762 | 1.3944 | 0.9294 | 0.9972 | 1.0287 | 0.8502 | 1.1397 | 1.0404 | 0.8074 | 0.8006 | 0.7538 | 1.0857 | 0.9478 | 1.1333 | 0.9381 | 1.2279 | 0.9074 | 1.1317 | 0.9277 | 0.8743 | 0.6351 | 0.9091 | 0.6186 | 1.0226 | 0.7347 | 1.1209 | 0.7398 |
| gamma-Glutamylalanine | 3.9073 | 0.2125 | 4.4866 | 0.6954 | 3.7181 | 0.1164 | 4.2030 | 0.1814 | 0.7080 | 0.6177 | 0.6239 | 1.0505 | 0.4961 | 0.9566 | 1.2894 | 0.2992 | 0.1822 | 0.2687 | 0.4182 | 0.3545 | 0.2034 | 0.2860 | 0.1637 | 0.9646 | 1.5438 | 0.5553 | 0.9771 | 0.2676 | 0.3506 | 0.1371 | 1.4737 | 0.2911 |
| gamma-Glutamylhistidine | 0.5118 | 0.6780 | 0.4494 | 0.6178 | 0.5315 | 0.8119 | 0.5000 | 1.0801 | 2.1041 | 2.2232 | 1.7261 | 2.3341 | 1.1359 | 1.0295 | 1.1999 | 1.1067 | 0.6502 | 0.8273 | 0.8358 | 0.8418 | 0.7659 | 0.9236 | 1.0166 | 0.9976 | 0.9245 | 0.7430 | 0.7964 | 0.7738 | 1.0465 | 0.7189 | 1.0441 | 1.0540 |
| gamma-Glutamylmethionine | 1.0803 | 0.4093 | 1.8988 | 0.5921 | 1.1141 | 0.7400 | 1.3264 | 1.0750 | 1.1058 | 0.9366 | 0.9791 | 1.9987 | 1.5229 | 1.3062 | 1.2512 | 1.2443 | 0.7033 | 0.5689 | 0.7350 | 0.4421 | 0.8571 | 0.9079 | 1.0863 | 0.9413 | 0.9756 | 0.6520 | 0.7936 | 0.7970 | 1.1074 | 0.7041 | 1.4514 | 0.6963 |
| GDP-L-fucose | 1.2443 | 0.7297 | 1.4642 | 0.9226 | 1.1261 | 0.9043 | 1.3762 | 1.0645 | 1.1165 | 1.2496 | 0.8857 | 1.1241 | 1.2304 | 1.2239 | 1.0601 | 1.5232 | 0.7302 | 1.0874 | 0.7036 | 1.0946 | 0.9915 | 0.7261 | 0.6754 | 0.7821 | 0.8875 | 1.1725 | 0.7304 | 0.6215 | 0.8102 | 1.1256 | 0.9211 | 0.6949 |
| GDP-mannose | 0.8808 | 0.8406 | 1.0586 | 0.8644 | 0.6143 | 0.9622 | 0.8607 | 0.9314 | 1.7064 | 1.0422 | 1.1098 | 1.2698 | 1.2527 | 0.9615 | 1.0125 | 1.0578 | 0.6608 | 1.0345 | 0.8524 | 1.0344 | 0.9480 | 1.0681 | 1.0041 | 0.8620 | 0.8747 | 0.9726 | 0.9051 | 0.9950 | 1.1447 | 1.0981 | 1.0683 | 1.0515 |
| Glucosamine 6-phosphate | 0.9190 | 0.6465 | 1.0258 | 0.6950 | 0.8659 | 0.6971 | 0.8181 | 0.6007 | 2.0868 | 1.9108 | 1.4976 | 2.1740 | 1.5141 | 1.3987 | 1.2617 | 1.2335 | 0.6840 | 0.8202 | 0.6671 | 0.8040 | 0.6674 | 0.7698 | 0.6053 | 0.8503 | 0.9731 | 0.7382 | 0.7731 | 0.6499 | 1.0699 | 0.7955 | 1.0393 | 0.7475 |
| Glucose 6-phosphate | 0.8619 | 0.7963 | 0.7449 | 0.8111 | 0.8468 | 0.7866 | 0.8073 | 0.8368 | 1.5881 | 1.3383 | 1.0844 | 1.4162 | 1.2641 | 1.1524 | 1.2291 | 1.2467 | 0.7955 | 0.7954 | 0.8614 | 0.8436 | 1.0339 | 0.8395 | 0.9693 | 0.8183 | 1.2225 | 0.9901 | 0.9275 | 0.9241 | 1.2181 | 0.8795 | 1.1517 | 0.9186 |
| Glucose/Fructose/Mannose | 0.4860 | 1.7263 | 0.3219 | 1.8171 | 0.4407 | 0.8919 | 0.3924 | 0.9002 | 1.2105 | 0.7309 | 0.6786 | 0.7964 | 1.1729 | 1.0544 | 1.2309 | 1.2608 | 0.5554 | 1.3187 | 0.8120 | 1.6017 | 0.9581 | 1.3922 | 0.9896 | 1.7543 | 0.7527 | 1.1050 | 0.6524 | 1.0099 | 1.0692 | 1.3075 | 0.7447 | 0.8646 |
| Glu-Cys | 3.8891 | 0.3104 | 4.2273 | 0.2634 | 4.1932 | 0.5256 | 3.5890 | 0.2805 | 0.6586 | 0.6770 | 0.4588 | 0.5712 | 0.9376 | 0.8229 | 0.8526 | 0.8613 | NA | 0.3501 | 0.0746 | 0.4605 | NA | 0.3954 | 0.0361 | 0.3216 | 0.7840 | 0.4601 | 0.9037 | 0.2961 | 0.9883 | 0.5806 | 0.7601 | 0.4701 |
| Glu-Gln | 1.1012 | 0.5970 | 1.0534 | 0.6708 | 0.8032 | 0.7418 | 0.9636 | 0.8828 | 1.5074 | 1.1228 | 0.9380 | 1.3089 | 1.3956 | 1.0831 | 1.2261 | 1.3230 | 0.9138 | 0.7980 | 0.9295 | 0.8777 | 0.8521 | 0.7581 | 1.0797 | 0.9894 | 1.2079 | 0.9690 | 0.9331 | 0.6995 | 1.1383 | 0.8153 | 1.3561 | 0.9639 |
| Glu-Glu | 1.3805 | 0.5166 | 1.4212 | 0.6200 | 1.2854 | 0.7798 | 1.1354 | 0.7749 | 1.7532 | 1.4645 | 1.1407 | 1.5818 | 1.4479 | 0.9936 | 1.1043 | 1.0176 | 0.7171 | 0.7630 | 0.7657 | 0.7058 | 0.8084 | 0.8651 | 0.7157 | 0.7953 | 0.9400 | 0.9027 | 0.8493 | 0.6678 | 0.9817 | 0.8573 | 1.2439 | 1.0039 |
| Glu-Gly | 1.7388 | 0.1569 | 1.3259 | 0.3881 | 1.4531 | 0.9682 | 0.9439 | 0.5429 | 1.8570 | 0.9132 | 1.0370 | 1.6421 | 2.1656 | 1.1255 | 1.2856 | 1.4195 | 0.7262 | 0.6681 | 0.5823 | 0.3819 | 0.9042 | 0.6971 | 0.9063 | NA | 0.9768 | 0.8420 | 1.3007 | 0.1416 | 0.8196 | 0.7311 | 1.4465 | 0.9120 |
| Glu-Leu | 2.7642 | 0.6307 | 2.8191 | 0.4828 | 2.2280 | 0.7007 | 2.1479 | 0.7666 | 1.0590 | 0.8560 | 0.6251 | 0.9592 | 1.2725 | 1.2907 | 1.1654 | 1.2575 | 0.2626 | 0.5286 | 0.5711 | 0.6674 | 0.2968 | 0.6616 | 0.4371 | 0.8803 | 1.0888 | 0.6155 | 0.9828 | 0.4219 | 0.8527 | 0.9418 | 1.2491 | 0.5165 |
| Glu-Lys | 0.7330 | 0.9296 | 0.7455 | 1.7996 | 0.5708 | 0.7637 | 0.6376 | 0.8318 | 1.1680 | 0.7233 | 0.6004 | 1.1113 | 1.6020 | 1.2023 | 1.1632 | 1.1267 | 0.5730 | 0.9588 | 0.8002 | 1.0762 | 0.8184 | 1.3422 | 0.7653 | 1.4974 | 0.9487 | 1.1450 | 0.8940 | 0.7238 | 1.4160 | 1.1825 | 1.2194 | 0.9303 |
| Glutamic acid | 0.9075 | 0.8591 | 1.0701 | 0.8084 | 0.8950 | 1.0162 | 0.8510 | 0.9206 | 1.7281 | 1.6926 | 1.3683 | 1.8798 | 1.2225 | 0.9774 | 0.9730 | 0.9444 | 0.7782 | 0.9018 | 0.8076 | 0.9223 | 0.8106 | 0.9586 | 0.7552 | 0.9532 | 0.7607 | 0.8901 | 0.7551 | 0.8186 | 0.8401 | 0.9625 | 0.9429 | 1.0284 |
| Glutamine | 0.6599 | 0.8206 | 0.6203 | 0.9285 | 0.5019 | 1.0417 | 0.6018 | 1.0675 | 1.5500 | 1.4397 | 1.2230 | 1.6396 | 1.3921 | 1.1423 | 1.1901 | 1.2349 | 0.8738 | 0.8678 | 0.8747 | 0.9931 | 0.9101 | 0.8793 | 1.0051 | 1.0777 | 0.9145 | 0.9301 | 0.7852 | 0.8078 | 0.9574 | 0.9507 | 1.0976 | 1.0212 |
| Glutathione | 2.2153 | 0.7400 | 2.2966 | 0.8092 | 2.3048 | 0.8378 | 2.1952 | 0.7842 | 0.8901 | 0.7925 | 0.8023 | 0.9208 | 1.1259 | 1.0811 | 0.9873 | 1.0049 | 0.2637 | 0.7540 | 0.2649 | 0.8014 | 0.2598 | 0.8436 | 0.2334 | 0.8398 | 1.1212 | 0.8500 | 1.1021 | 0.7827 | 1.1815 | 0.8868 | 1.1487 | 0.8785 |
| Glu-Thr | 3.7702 | 0.4711 | 4.0461 | 0.4302 | 3.3252 | NA | 3.2508 | 0.4916 | 0.5932 | 1.2219 | 0.4722 | 0.4645 | 0.9536 | 0.6749 | 0.5157 | 0.7897 | 0.2143 | 0.2317 | 0.5652 | 0.8094 | 0.3827 | 0.6171 | 0.2026 | 0.7723 | 0.9223 | 0.2842 | 1.0301 | 0.5455 | 0.8582 | 0.3192 | 1.2091 | 0.5654 |
| Glyceraldehyde 3-phosphate/Dihydroxyacetone phosphate | 1.5006 | 1.1011 | 1.3479 | 0.6531 | 0.8932 | 1.0454 | 0.8817 | 0.4083 | 1.1363 | 1.1383 | 1.4755 | 1.1819 | 0.8860 | 1.4754 | 0.7558 | 1.0796 | 1.0627 | 0.8510 | 1.2498 | 0.6458 | 0.9829 | 0.7626 | 1.0132 | 0.2616 | 1.2707 | 0.9977 | 0.9825 | 1.1467 | 1.2106 | 0.6355 | 1.0578 | 0.9087 |
| Glyceric acid | 1.3253 | NA | 1.1049 | 1.0030 | 0.6187 | NA | 1.1411 | 0.7984 | 0.9993 | 1.0104 | 0.5592 | 0.8508 | 1.0017 | 1.3439 | 0.9989 | 1.0971 | 0.6089 | 0.7709 | 0.9525 | 0.6466 | 1.0445 | 1.7691 | 1.4877 | 1.0145 | 1.1139 | 1.2050 | 1.0261 | 0.8336 | 0.8260 | 0.9789 | 1.1505 | 0.7187 |
| Glycine | 0.8928 | 0.5787 | 0.9338 | 0.5817 | 0.8399 | 0.7092 | 0.9330 | 0.7822 | 1.7428 | 1.3446 | 1.3011 | 1.4702 | 1.3759 | 1.0876 | 1.1763 | 1.3414 | 1.1422 | 0.5951 | 1.1042 | 0.6460 | 1.1093 | 0.7200 | 1.1618 | 0.8604 | 1.1166 | 0.8738 | 0.9010 | 0.6578 | 1.1343 | 0.6968 | 1.2719 | 0.9175 |
| Glycocholic acid | 1.0554 | 0.9510 | 0.9140 | 0.9689 | 0.8270 | 0.8411 | 0.7598 | 1.1385 | 1.6724 | 1.7852 | 1.5489 | 1.4888 | 0.7082 | 0.9307 | 1.0951 | 0.8514 | 1.0036 | 0.4418 | 1.4544 | 0.8236 | 0.9774 | 0.6987 | 1.0558 | 1.3082 | 0.8884 | 0.8977 | 0.5836 | 1.1469 | 1.0022 | 0.6928 | 0.7160 | 0.7727 |
| Glycolic acid | 1.0193 | 1.1218 | 1.0212 | 0.9542 | 1.0029 | 0.8939 | 0.8946 | 0.9668 | 1.1815 | 1.0973 | 1.0084 | 1.0052 | 1.0339 | 1.0457 | 1.0376 | 1.0327 | 0.9213 | 0.8388 | 0.9806 | 0.8392 | 1.0112 | 0.9022 | 1.0077 | 1.0684 | 1.0284 | 0.9702 | 1.1018 | 0.9667 | 0.9962 | 0.8991 | 0.9927 | 1.1584 |
| Gly-Lys | 0.7638 | 0.9350 | 0.8393 | 1.4245 | 0.6240 | 0.7387 | 0.7692 | 0.7654 | 1.2093 | 0.9913 | 0.7615 | 1.2109 | 1.3000 | 1.5025 | 1.2778 | 1.4289 | 0.5528 | 0.9981 | 0.7743 | 0.8469 | 0.8180 | 1.1768 | 0.6972 | 1.1186 | 1.0473 | 0.8870 | 0.9226 | 0.7097 | 1.5002 | 1.3076 | 1.1607 | 0.9401 |
| Gly-Val | 0.8673 | 0.9752 | 0.8868 | 0.8453 | 0.9657 | 0.9238 | 1.0775 | 0.9568 | 1.0160 | 1.0235 | 1.0244 | 1.0084 | 1.0728 | 1.1197 | 1.2070 | 1.1195 | 1.0785 | 0.8684 | 1.0385 | 0.9237 | 1.0436 | 0.9425 | 1.0856 | 0.8087 | 1.0437 | 0.8843 | 1.0064 | 0.9808 | 1.1340 | 1.1470 | 1.0353 | 0.8894 |
| GMP | 1.3612 | 0.5792 | 1.2350 | 0.1961 | 0.8626 | 0.4655 | 0.8670 | 0.6356 | 1.3794 | 1.1407 | 2.3541 | 1.3118 | 0.8129 | 0.8026 | 1.6111 | 1.4916 | 0.5443 | 0.9001 | 1.5262 | NA | 0.6528 | NA | 1.4953 | NA | 1.3146 | 0.3723 | 0.8188 | 0.6322 | 0.9569 | 0.9960 | 0.9661 | 0.7177 |
| Guanidinosuccinic acid | 0.7347 | 0.9503 | 0.8414 | 0.9751 | 0.7315 | 1.0840 | 0.7318 | 1.0969 | 1.3269 | 1.2055 | 1.2715 | 1.3027 | 1.3141 | 1.1130 | 1.1549 | 1.1561 | 0.8310 | 0.8062 | 0.9715 | 0.9389 | 0.9525 | 0.9722 | 1.0770 | 1.0270 | 0.7527 | 0.9079 | 0.7761 | 0.8486 | 0.8538 | 1.4058 | 0.9147 | 0.9738 |
| Guanidoacetic acid | 0.2455 | 0.5425 | 0.2420 | 0.6789 | 0.1596 | 0.7676 | 0.2490 | 0.9546 | 1.3688 | 0.7990 | 1.0837 | 1.0156 | 1.1181 | 0.9964 | 0.9030 | 1.0400 | 2.4076 | 0.7700 | 2.4627 | 0.9031 | 2.3152 | 0.8224 | 2.7551 | 1.0915 | 0.6440 | 0.8832 | 0.5127 | 0.7026 | 0.7697 | 0.8332 | 0.8736 | 1.0890 |
| Hippuric acid | 0.7960 | 1.1362 | 0.6453 | 1.2473 | 0.7002 | 0.8132 | 0.6932 | 0.8669 | 1.2297 | 0.8964 | 0.8474 | 1.1795 | 1.3976 | 1.2937 | 1.1928 | 1.2200 | 0.7707 | 0.9541 | 0.8783 | 1.2011 | 0.8731 | 1.0529 | 0.9627 | 1.2636 | 0.8831 | 1.1768 | 0.8800 | 0.9458 | 0.9357 | 0.9286 | 1.1056 | 1.0324 |
| Histidine | 0.8212 | 0.6931 | 0.9529 | 0.8737 | 0.7180 | 1.0063 | 0.7094 | 0.9731 | 1.8630 | 1.4417 | 1.2052 | 1.9248 | 1.4511 | 1.1555 | 1.2018 | 1.2267 | 0.7597 | 0.7653 | 0.8756 | 0.9006 | 0.8352 | 0.8452 | 0.8972 | 1.0456 | 0.8475 | 0.8426 | 0.7250 | 0.6700 | 0.8965 | 0.8686 | 1.0278 | 0.9800 |
| Homoarginine | 0.8850 | 0.8971 | 0.8301 | 1.1073 | 0.7325 | 0.9190 | 0.8518 | 1.1130 | 1.3360 | 0.8093 | 0.8027 | 0.7908 | 1.4596 | 1.3936 | 1.1321 | 1.3304 | 0.7192 | 0.9622 | 0.8773 | 1.1484 | 0.9424 | 1.1478 | 0.8930 | 1.2505 | 0.6838 | 1.1674 | 0.6056 | 0.9189 | 0.9599 | 1.1081 | 1.0947 | 1.1305 |
| Homocitrulline | 0.2044 | 0.7445 | 0.1026 | 0.6399 | 0.0643 | 0.9047 | 0.1714 | 0.8505 | 2.0205 | 2.3968 | 1.4574 | 2.2104 | 2.3150 | 1.4319 | 1.4996 | 1.8919 | 0.5808 | 0.4047 | 0.5036 | 1.2267 | 0.7826 | 1.2449 | 0.5419 | 1.4014 | 0.5242 | 1.0946 | 0.2147 | 0.9052 | 0.8016 | 0.7137 | 1.1922 | 0.9615 |
| Imidazole | 0.8910 | 1.1388 | 0.8093 | 0.9830 | 0.9852 | 0.8254 | 0.7217 | 0.7724 | 1.0187 | 1.0164 | 0.6780 | 0.9535 | 1.2175 | 1.0087 | 0.9214 | 1.0003 | 0.9573 | 0.9248 | 1.4618 | 0.9709 | 1.1191 | 0.7791 | 1.1312 | 1.2752 | 1.0160 | 0.8921 | 1.4045 | 1.0159 | 1.0260 | 0.9831 | 1.1261 | 0.9757 |
| IMP | 0.5736 | 0.8849 | 0.4691 | 0.8033 | 0.4997 | 0.6820 | 0.5139 | 1.0641 | 1.5143 | 1.4832 | 1.0512 | 1.6447 | 1.1447 | 1.4721 | 1.3999 | 1.6555 | 1.0406 | 0.8923 | 1.0515 | 1.1590 | 0.9679 | 0.7517 | 1.2832 | 1.0270 | 0.8822 | 1.0613 | 0.6872 | 0.8013 | 0.6976 | 0.8327 | 1.0659 | 0.9423 |
| Indole | 1.1179 | 1.3656 | 1.7274 | 0.6780 | 1.2106 | 1.0803 | 0.8392 | 1.0211 | 0.8237 | 0.8354 | 0.5307 | 1.0172 | 0.1712 | 1.2230 | 1.0197 | 1.4088 | 1.1483 | 0.5647 | 1.1975 | 0.5229 | 0.8998 | 0.4571 | 1.1516 | 1.1166 | 1.4863 | 0.5867 | 1.4829 | 1.0595 | 1.1482 | 0.5462 | 1.5616 | 1.0002 |
| Indole-3-lactic acid | 0.5631 | 0.9746 | 0.2744 | 0.9416 | 0.5012 | 0.8530 | 0.3503 | 0.8541 | 1.7858 | 1.6331 | 1.4405 | 1.6199 | 1.3135 | 1.5256 | 1.0237 | 1.2830 | 1.1960 | 0.8111 | 1.1727 | 0.9573 | 1.0405 | 1.2443 | 1.0360 | 0.9078 | 0.8047 | 0.6541 | 0.7762 | 0.7612 | 1.0271 | 0.5776 | 1.1844 | 0.9119 |
| Inosine | 0.4219 | 0.8531 | 0.3741 | 1.1449 | 0.2756 | 0.6951 | 0.4597 | 1.6433 | 1.5256 | 1.2379 | 0.8504 | 1.4969 | 2.0672 | 1.3374 | 1.5674 | 1.3964 | 1.1158 | 0.8441 | 1.3361 | 0.9914 | 1.0011 | 0.7622 | 1.3596 | 1.4796 | 0.6023 | 0.9599 | 0.4822 | 0.4480 | 0.6534 | 0.8688 | 0.7687 | 0.9798 |
| Isoleucine | 0.7916 | 0.8657 | 0.9082 | 0.9809 | 0.7155 | 1.0457 | 0.6865 | 1.0088 | 1.6059 | 1.3731 | 1.2772 | 1.6081 | 1.3942 | 1.1636 | 1.2915 | 1.3060 | 0.8453 | 0.9103 | 0.8507 | 0.9047 | 0.9207 | 1.0133 | 0.9348 | 1.0425 | 0.7651 | 0.8339 | 0.6951 | 0.7505 | 0.8674 | 0.8624 | 0.9285 | 0.8522 |
| Isovalerylglycine | 0.8973 | 0.7737 | 1.0609 | 0.6681 | 0.8545 | 0.7693 | 0.8244 | 0.6021 | 1.5681 | 1.6938 | 1.3376 | 1.8833 | 1.2452 | 1.1551 | 1.1521 | 0.9739 | 0.8310 | 0.8683 | 0.8892 | 0.8291 | 0.8591 | 0.8369 | 0.8609 | 0.8561 | 0.9316 | 0.9069 | 0.9248 | 0.8608 | 0.9814 | 0.9947 | 1.1085 | 1.0014 |
| Kynurenic acid | 0.9035 | 0.8520 | 0.5427 | 0.9901 | 0.4580 | 5.2638 | 0.3046 | 1.5077 | 0.8807 | 0.3044 | 0.2783 | 0.3258 | 0.5765 | 0.3038 | 0.0810 | 0.1910 | 0.5307 | 6.0488 | 0.6105 | 2.5705 | 0.4027 | 2.0165 | 0.3378 | 1.4447 | 0.6085 | 0.7695 | 0.4801 | 0.7572 | 0.3576 | 0.4864 | 0.0969 | 0.7179 |
| Kynurenine | 0.3424 | 0.9656 | 0.5579 | 1.2894 | 0.3920 | 0.8361 | 0.4398 | 1.3930 | 1.9434 | 1.1856 | 1.3157 | 1.7747 | 1.7883 | 1.3465 | 1.5093 | 1.6483 | 0.7756 | 0.8554 | 0.9889 | 1.3010 | 0.8025 | 0.6549 | 0.5335 | 0.7889 | 0.5231 | 0.7493 | 0.9590 | 0.9330 | 0.6539 | 1.1447 | 0.5557 | 1.0527 |
| Leucine | 0.6960 | 0.8638 | 0.8013 | 0.9125 | 0.6681 | 1.0057 | 0.7297 | 1.0924 | 1.5222 | 1.4988 | 1.2993 | 1.8736 | 1.3435 | 1.2613 | 1.3152 | 1.3015 | 0.7556 | 0.8661 | 0.9251 | 0.9162 | 0.8955 | 0.9137 | 0.9089 | 0.9659 | 0.7146 | 0.7946 | 0.7343 | 0.7541 | 0.8560 | 0.9339 | 0.9794 | 0.9010 |
| Leucylglycine/N(2)-Acetyllysine | 0.9885 | 0.8849 | 1.0106 | 0.9383 | 0.8474 | 0.9062 | 0.8925 | 0.8404 | 1.3727 | 1.2988 | 1.0642 | 1.4285 | 1.1812 | 1.1765 | 1.1566 | 1.2544 | 0.8167 | 0.9126 | 0.9303 | 0.9775 | 0.8492 | 0.9577 | 0.7989 | 0.8906 | 0.9544 | 0.9833 | 0.8809 | 0.8579 | 0.9616 | 0.9296 | 1.0533 | 1.0038 |
| Leu-Gln | 0.5589 | 1.0754 | 0.5753 | 1.9172 | 0.5589 | 0.7931 | 0.6431 | 0.9464 | 1.1958 | 0.6750 | 0.6336 | 0.9846 | 1.5100 | 1.1460 | 1.0855 | 1.1638 | 0.6411 | 1.2418 | 0.9046 | 1.1719 | 0.9580 | 1.4065 | 0.6601 | 1.3249 | 0.8799 | 1.0458 | 0.7628 | 0.8704 | 1.4051 | 1.3221 | 0.9321 | 1.0103 |
| Leu-His | 1.2434 | 0.5665 | 1.7882 | 0.6558 | 1.0771 | 0.6518 | 1.0354 | 0.6572 | 1.7471 | 2.2382 | 1.3274 | 2.0914 | 1.3586 | 1.3192 | 1.1111 | 1.1955 | 0.4322 | 0.5689 | 0.6300 | 0.7378 | 0.5357 | 0.5905 | 0.6095 | 0.8176 | 0.9999 | 0.6732 | 0.7210 | 0.6565 | 1.0474 | 0.9229 | 1.2032 | 0.7899 |
| LPC 18:1/0:0 | 0.8390 | 0.8567 | 0.6352 | 0.7992 | 0.7308 | 0.7426 | 0.7543 | 0.9288 | 1.9023 | 1.9641 | 1.5977 | 1.8775 | 0.8588 | 1.1529 | 1.2037 | 1.3610 | 0.7490 | 0.5246 | 0.9208 | 0.7666 | 0.7996 | 0.4909 | 0.7248 | 1.1386 | 0.9653 | 1.0904 | 0.7561 | 1.0840 | 1.2208 | 0.8293 | 0.8348 | 0.8995 |
| LPC 18:2 | 0.6895 | 1.1901 | 0.9076 | 0.3441 | 1.1816 | 0.1895 | 0.6119 | 0.5333 | 1.0403 | 2.3629 | 2.2432 | 2.2196 | 0.5795 | 1.6564 | 2.1389 | 1.1799 | 0.6758 | 0.6886 | 1.0992 | NA | 0.7279 | 0.4366 | 0.3691 | 1.0981 | 1.2159 | 0.2693 | 0.7578 | 0.7968 | 1.4621 | 0.5150 | 1.0382 | 0.7812 |
| Lys-Gln | 1.1450 | 0.9411 | 1.6145 | 1.3972 | 1.2890 | 0.5755 | 1.2538 | 0.9493 | 1.4750 | 0.6378 | 0.4621 | 1.3567 | 2.1462 | 1.1000 | 1.2612 | 1.1339 | 0.5303 | 0.6504 | 0.5059 | 0.8105 | 0.6998 | 0.9144 | 0.5146 | 1.3152 | 0.6086 | 0.6506 | 1.0355 | 0.5344 | 1.3477 | 1.1151 | 1.2305 | 0.7980 |
| Lysine | 0.9535 | 0.7653 | 1.0884 | 0.9834 | 0.9408 | 0.8734 | 0.9073 | 0.8605 | 1.0633 | 1.1300 | 1.1549 | 1.3538 | 1.1604 | 1.2358 | 1.1895 | 1.2843 | 0.7941 | 0.8180 | 0.9559 | 0.8954 | 0.9346 | 0.8995 | 0.9746 | 0.9922 | 0.9582 | 0.8637 | 0.9106 | 0.8550 | 1.0887 | 0.9648 | 1.1290 | 1.0212 |
| Lys-Leu | 1.0680 | 0.6080 | 0.9049 | 0.9809 | 0.8622 | 0.6264 | 0.9959 | 0.8407 | 0.9742 | 0.7456 | 0.8039 | 1.0609 | 1.2180 | 1.0090 | 1.1024 | 1.1286 | 0.8813 | 0.9206 | 1.0302 | 1.1025 | 0.9867 | 0.9241 | 1.0718 | 0.9457 | 1.3625 | 1.2503 | 0.9935 | 0.9797 | 1.2255 | 1.1514 | 1.1889 | 1.0557 |
| Lys-Lys | 0.8690 | 0.7485 | 1.0993 | 1.2466 | 0.6781 | 0.6544 | 0.8670 | 0.4716 | 2.1386 | 1.0612 | 0.9486 | 2.0141 | 2.1550 | 1.4986 | 2.0956 | 1.7088 | 0.2432 | 0.3715 | 0.3322 | 0.5843 | 0.4589 | 0.8185 | 0.5129 | 0.6934 | 1.1092 | 0.5156 | 1.0815 | 0.4359 | 1.3985 | 1.0643 | 1.3737 | 0.7511 |
| Methanolphosphate | 0.9457 | 0.7534 | 0.9439 | 0.8172 | 1.1709 | 0.8987 | 1.1975 | 0.9369 | 1.0671 | 1.0496 | 0.9762 | 1.2543 | 1.0904 | 1.2385 | 1.1403 | 1.1862 | 0.8317 | 0.7626 | 0.9894 | 0.7355 | 1.1825 | 0.8856 | 0.9548 | 0.8407 | 0.9388 | 0.8615 | 0.8820 | 0.9820 | 1.2335 | 0.7854 | 1.4019 | 1.0649 |
| Methionine | 0.8403 | 0.9282 | 0.8909 | 1.0493 | 0.7724 | 1.0488 | 0.8139 | 1.0789 | 1.3722 | 1.3448 | 1.2137 | 1.5256 | 1.2882 | 1.1642 | 1.1000 | 1.2555 | 0.8382 | 0.9050 | 0.8863 | 0.8956 | 0.9323 | 0.9478 | 0.9961 | 1.0412 | 0.8303 | 0.8239 | 0.7773 | 0.7182 | 0.9415 | 0.8706 | 0.9668 | 0.9419 |
| Methionine sulfoxide/Targinine | 0.4784 | 0.7290 | 0.5097 | 0.8377 | 0.3775 | 0.9697 | 0.5099 | 0.8987 | 2.2273 | 2.1482 | 1.8244 | 2.4021 | 1.9906 | 1.7392 | 1.5578 | 1.6515 | 0.5570 | 0.7209 | 0.6157 | 0.7825 | 0.6592 | 0.7838 | 0.6655 | 0.8978 | 0.6376 | 0.6718 | 0.5215 | 0.6084 | 0.6418 | 0.7794 | 0.7875 | 0.8178 |
| Methylimidazoleacetic acid | 1.4831 | 0.7618 | 1.6418 | 0.6925 | 1.6150 | 0.8303 | 1.4772 | 0.8123 | 1.2021 | 1.1838 | 1.0028 | 1.3076 | 1.2402 | 0.9973 | 1.1353 | 1.0663 | 0.6034 | 0.9354 | 0.6857 | 0.8408 | 0.6509 | 0.9436 | 0.6648 | 0.9370 | 0.9414 | 0.7296 | 0.9400 | 0.8168 | 0.9975 | 0.8846 | 1.1205 | 0.8585 |
| Methylsuccinic acid | 0.8570 | 0.7212 | 0.9548 | 0.9052 | 0.7535 | 0.8379 | 0.6418 | 0.7651 | 1.4528 | 1.5321 | 1.2476 | 1.2302 | 1.4587 | 1.0636 | 1.2073 | 0.9510 | 0.6968 | 1.3405 | 0.7352 | 1.1170 | 1.0885 | 0.8404 | 0.6371 | 0.8394 | 1.1343 | 0.9801 | 1.3079 | 0.5964 | 0.8115 | 1.2687 | 1.2088 | 0.8174 |
| N(5)-Acetyl-ornithine | 0.5446 | 0.7897 | 0.5445 | 0.8060 | 0.3961 | 0.7735 | 0.5124 | 0.9891 | 2.0817 | 1.8923 | 1.6791 | 2.0702 | 1.5427 | 1.3782 | 1.3031 | 1.5346 | 0.6733 | 0.7010 | 0.7028 | 0.8861 | 0.7226 | 0.7359 | 0.7901 | 1.0260 | 0.7165 | 0.9464 | 0.6934 | 0.8200 | 0.8017 | 0.9149 | 1.0140 | 1.0177 |
| N(5)-Ethyl-glutamine | 0.5446 | 0.7897 | 0.5445 | 0.8060 | 0.3961 | 0.7735 | 0.5124 | 0.9891 | 2.0817 | 1.8923 | 1.6791 | 2.0702 | 1.5427 | 1.3782 | 1.3031 | 1.5346 | 0.6733 | 0.7010 | 0.7028 | 0.8861 | 0.7226 | 0.7359 | 0.7901 | 1.0260 | 0.7165 | 0.9464 | 0.6934 | 0.8200 | 0.8017 | 0.9149 | 1.0140 | 1.0177 |
| N(6)-Methyllysine | 0.9072 | 0.8475 | 0.9628 | 0.9052 | 0.7658 | 0.8868 | 0.8368 | 0.8314 | 1.3717 | 1.1686 | 0.9990 | 1.4106 | 1.4030 | 1.3515 | 1.1915 | 1.1710 | 0.8055 | 0.8939 | 0.8979 | 0.9847 | 0.7976 | 0.9576 | 0.7635 | 1.0225 | 1.0954 | 0.9016 | 0.9336 | 0.8223 | 1.0644 | 0.9348 | 1.1241 | 0.9904 |
| N(6),N(6)-Dimethyl-lysine | 0.8494 | 0.7738 | 0.9415 | 0.8726 | 0.6837 | 0.8940 | 0.8180 | 0.9703 | 1.4213 | 1.2871 | 1.2860 | 1.3540 | 1.4388 | 1.3817 | 1.2376 | 1.3364 | 0.6380 | 0.8302 | 0.8123 | 1.0234 | 0.8010 | 0.9257 | 0.7509 | 1.0879 | 0.8579 | 0.9742 | 0.8352 | 0.8670 | 1.0170 | 0.9882 | 1.0709 | 0.9739 |
| N-6-Trimethyllysine | 0.8471 | 0.7582 | 0.8542 | 0.9741 | 0.7250 | 0.8635 | 0.8971 | 0.9837 | 1.4022 | 1.3432 | 1.2631 | 1.4897 | 1.2865 | 1.2242 | 1.1554 | 1.2150 | 0.7439 | 0.8965 | 0.9024 | 0.9640 | 0.9673 | 0.8359 | 0.8976 | 1.0041 | 0.9667 | 0.9504 | 0.8392 | 0.8333 | 1.0297 | 0.8765 | 1.1036 | 0.9070 |
| N8-Acetylspermidine | 0.8186 | 0.7330 | 0.8306 | 0.8892 | 0.6484 | 0.9407 | 0.8432 | 1.1160 | 1.1094 | 0.9691 | 0.7293 | 1.1815 | 1.7515 | 1.2697 | 1.4976 | 1.3819 | 0.6260 | 0.9692 | 0.6333 | 0.9940 | 0.6890 | 0.9217 | 0.7217 | 1.0284 | 0.9529 | 1.1526 | 0.8019 | 0.9780 | 1.0716 | 1.2066 | 1.2362 | 1.3071 |
| N-Acetylarginine | 0.7541 | 0.7567 | 0.9275 | 0.9598 | 0.7058 | 0.8039 | 0.8073 | 0.9896 | 1.6416 | 1.4467 | 1.4420 | 1.4207 | 1.5212 | 1.0802 | 1.1882 | 1.3652 | 0.8952 | 0.7262 | 0.9085 | 0.7201 | 0.8989 | 0.8471 | 0.7991 | 1.1807 | 0.9760 | 0.9589 | 0.7607 | 0.6772 | 1.0873 | 0.9181 | 0.7426 | 1.0930 |
| N-Acetylaspartic acid | 0.7531 | 0.6764 | 0.8010 | 0.6642 | 0.7812 | 0.7843 | 0.6208 | 0.6018 | 1.7627 | 1.6437 | 1.3595 | 1.7871 | 1.5217 | 1.2813 | 1.2421 | 1.2071 | 0.6999 | 0.9455 | 0.7516 | 0.9034 | 0.7581 | 0.9270 | 0.6943 | 0.9127 | 0.9651 | 0.9205 | 0.9404 | 0.8233 | 1.0804 | 1.0628 | 1.0636 | 1.0630 |
| N-Acetyl-glucosamine 6-phosphate | 0.9452 | 0.7579 | 1.0305 | 0.8396 | 0.8403 | 0.9127 | 0.8939 | 0.9587 | 1.8299 | 1.6805 | 1.5819 | 1.9663 | 1.2245 | 1.0814 | 1.0142 | 1.0680 | 0.6168 | 0.7728 | 0.6813 | 0.9021 | 0.7010 | 0.8333 | 0.7458 | 0.9740 | 0.8019 | 0.9723 | 0.6997 | 0.8410 | 0.8775 | 0.9195 | 0.9649 | 1.0705 |
| N-Acetylglutamic acid | 0.8187 | 1.0110 | 0.8709 | 1.5345 | 0.8208 | 0.7457 | 0.7827 | 0.6294 | 0.9875 | 1.0501 | 1.0526 | 1.2362 | 1.1248 | 1.3656 | 1.4730 | 1.2585 | 0.8031 | 0.9262 | 0.9589 | 0.9524 | 1.0575 | 1.0351 | 0.8144 | 0.9935 | 1.0498 | 1.0593 | 0.9838 | 0.9862 | 1.0436 | 0.8559 | 0.8995 | 0.8187 |
| N-Acetylglutamine | 0.8300 | 1.0616 | 0.9224 | 0.9273 | 0.7657 | 1.0682 | 0.7411 | 0.9342 | 1.8761 | 1.9374 | 1.4917 | 1.7036 | 1.1956 | 1.0101 | 0.9416 | 0.8161 | 0.6886 | 0.7295 | 0.7449 | 1.0608 | 0.9099 | 1.0310 | 0.8840 | 0.9825 | 0.7915 | 0.8027 | 0.5956 | 0.8202 | 0.8682 | 0.9269 | 0.9302 | 1.0108 |
| N-Acetylhistidine | 0.5943 | 0.7064 | 0.6907 | 0.7132 | 0.4781 | 0.8504 | 0.5999 | 0.8780 | 1.9586 | 1.8863 | 1.5890 | 2.1695 | 1.5432 | 1.3714 | 1.4359 | 1.3516 | 0.6803 | 0.8254 | 0.7147 | 0.8715 | 0.6644 | 0.8675 | 0.7214 | 1.0307 | 0.7286 | 0.8368 | 0.6567 | 0.7537 | 0.8680 | 1.0244 | 0.9325 | 1.0070 |
| N-Acetylleucine | 1.0624 | 1.0718 | 1.5797 | 0.7009 | 1.3119 | 1.1101 | 1.0356 | 1.0676 | 0.6379 | 0.6330 | 0.2334 | 0.7613 | 0.1137 | 0.6653 | 0.5359 | 1.1041 | 1.1922 | 0.7928 | 1.1242 | 0.8256 | 1.0080 | 1.0137 | 1.3850 | 1.0371 | 1.5555 | 0.9650 | 1.4828 | 1.2235 | 1.2757 | 0.6934 | 1.5813 | 1.2195 |
| N-Acetylmethionine | 0.9296 | 0.7069 | 1.1461 | 0.6903 | 1.0290 | 0.7985 | 0.8484 | 0.6292 | 1.8718 | 1.8757 | 1.5686 | 2.1538 | 1.2934 | 1.0662 | 1.0408 | 1.0273 | 0.6375 | 0.8592 | 0.7271 | 0.7435 | 0.7346 | 0.8274 | 0.6193 | 0.7756 | 0.9115 | 0.8072 | 0.9536 | 0.8097 | 1.0689 | 0.8383 | 1.0539 | 0.9567 |
| N-Acetylneuraminic acid | 0.6585 | 0.9881 | 0.4142 | 1.0634 | 0.6042 | 0.6644 | 0.5308 | 0.7543 | 2.0806 | 1.2211 | 0.9873 | 1.3781 | 1.7355 | 1.3721 | 1.5018 | 1.5857 | 0.4456 | 1.1518 | 0.5806 | 1.2254 | 0.7634 | 0.9682 | 0.8183 | 1.3278 | 0.8340 | 0.8396 | 0.6658 | 0.7684 | 1.2242 | 1.1032 | 0.9502 | 0.7934 |
| N-Acetylputrescine | 0.4632 | 1.1210 | 0.4651 | 0.9880 | 0.5672 | 1.1724 | 0.5031 | 1.6535 | 0.2872 | 0.1979 | 0.2239 | 0.2506 | 1.3061 | 1.4025 | 1.1184 | 1.0454 | 1.0451 | 0.9860 | 1.0459 | 1.3952 | 1.1537 | 1.0201 | 1.3369 | 1.2642 | 1.0867 | 1.6127 | 1.0146 | 1.1293 | 1.1469 | 1.3745 | 1.3355 | 1.2872 |
| N-Acetylserine | 0.9075 | 0.8591 | 1.0701 | 0.8084 | 0.8950 | 1.0162 | 0.8510 | 0.9206 | 1.7281 | 1.6926 | 1.3683 | 1.8798 | 1.2225 | 0.9774 | 0.9730 | 0.9444 | 0.7782 | 0.9018 | 0.8076 | 0.9223 | 0.8106 | 0.9586 | 0.7552 | 0.9532 | 0.7607 | 0.8901 | 0.7551 | 0.8186 | 0.8401 | 0.9625 | 0.9429 | 1.0284 |
| N-Acetyltaurine | 1.3643 | 0.5479 | 1.5033 | 1.1601 | 1.2899 | 0.7442 | 1.1251 | 0.6858 | 1.4335 | 1.4247 | 1.2077 | 1.9845 | 1.0156 | 0.8148 | 0.8720 | 0.8484 | 0.8391 | 0.6273 | 1.0078 | 0.6296 | 0.9776 | 0.8101 | 0.5860 | 0.8330 | 1.1003 | 0.5081 | 0.9805 | 0.7770 | 1.1697 | 1.2199 | 1.0485 | 0.8637 |
| N-Acetyl-tryptophan | 1.1526 | 1.1799 | 1.1392 | 1.0765 | 1.0013 | 1.3269 | 1.0434 | 1.2385 | 1.6161 | 1.5468 | 1.1911 | 1.7378 | 1.1828 | 0.9449 | 0.9161 | 0.9336 | 0.5315 | 0.9488 | 0.5030 | 0.8334 | 0.6185 | 0.8640 | 0.5802 | 1.0175 | 1.0378 | 0.8083 | 0.7882 | 0.7025 | 0.8552 | 0.7427 | 1.2141 | 0.7267 |
| NAD | 1.6464 | 0.8634 | 1.7304 | 0.8148 | 1.5480 | 0.8338 | 1.3565 | 0.9552 | 1.3540 | 1.1236 | 1.0345 | 1.3779 | 1.0592 | 0.8246 | 0.9787 | 0.9486 | 0.7516 | 0.7800 | 0.7311 | 0.9067 | 0.6613 | 0.8178 | 0.7033 | 0.9503 | 0.9430 | 0.8640 | 0.9945 | 0.6722 | 0.9586 | 0.9341 | 1.0327 | 0.8494 |
| NADP | 2.0058 | 0.3396 | 1.9241 | 0.4103 | 1.6732 | 0.2438 | 1.7866 | 0.5864 | 1.5717 | 1.4148 | 1.0478 | 1.7530 | 1.3918 | 1.4302 | 1.5226 | 1.4160 | 0.4364 | NA | 0.4780 | 0.0817 | 0.5248 | 0.2881 | 0.4442 | 0.1432 | 1.3245 | 0.5296 | 1.2092 | 0.7277 | 1.3480 | 0.5493 | 1.7168 | 0.6809 |
| N-Carboxyethyl-gamma-aminobutyric acid | 0.5101 | 0.6007 | 0.5972 | 0.6578 | 0.4368 | 0.7894 | 0.5148 | 0.8169 | 2.7998 | 2.4548 | 1.7991 | 3.0074 | 1.6395 | 1.3033 | 1.2827 | 1.2555 | 0.5456 | 0.7670 | 0.5543 | 0.8036 | 0.5586 | 0.7784 | 0.5671 | 0.9970 | 0.5756 | 0.7570 | 0.5331 | 0.6424 | 0.7182 | 0.9002 | 0.8347 | 1.0015 |
| Niacinamide | 0.9772 | 0.7843 | 1.0085 | 0.7607 | 1.0885 | 1.0234 | 1.0909 | 0.6487 | 1.2152 | 1.2007 | 1.0779 | 1.2349 | 1.3684 | 1.4232 | 1.1673 | 1.2713 | 0.8986 | 0.7938 | 1.0122 | 0.6790 | 1.1127 | 0.7282 | 0.9775 | 0.6315 | 0.9588 | 0.8853 | 0.8275 | 1.0637 | 1.1931 | 0.8094 | 1.0585 | 1.0290 |
| Nicotinamide riboside | 2.1268 | 1.1361 | 2.4556 | 0.7223 | 1.6707 | 0.7791 | 2.0555 | 1.2767 | 0.9859 | 0.9057 | 0.6018 | 0.9911 | 1.0836 | 0.9035 | 1.2337 | 0.9479 | 0.2592 | NA | 0.1881 | 0.8374 | 0.3444 | 0.8847 | 0.2070 | 1.0458 | 0.9442 | 0.7098 | 0.9643 | 0.7167 | 1.0820 | 0.8711 | 1.1689 | 0.9005 |
| N-Methyl-glutamic acid | 0.8907 | 0.6354 | 0.9746 | 0.8580 | 1.0607 | 0.7207 | 1.1761 | 1.2966 | 1.0574 | 0.8858 | 0.6744 | 1.0299 | 1.1520 | 1.3157 | 1.1615 | 1.2807 | 0.7387 | 0.6991 | 0.9852 | 0.7307 | 1.2051 | 1.0252 | 0.7856 | 1.2809 | 0.9384 | 0.9058 | 0.9625 | 0.7809 | 1.4562 | 0.7947 | 1.6200 | 0.9208 |
| N-Methylhistidine | 0.6039 | 0.6609 | 0.6532 | 0.8531 | 0.5184 | 0.9008 | 0.5476 | 0.9626 | 2.2666 | 1.8187 | 1.5657 | 2.1017 | 1.6511 | 1.3174 | 1.3294 | 1.4223 | 0.6327 | 0.7481 | 0.7039 | 0.8705 | 0.7180 | 0.8032 | 0.7717 | 1.0036 | 0.7971 | 0.8808 | 0.6492 | 0.6385 | 0.8234 | 0.8565 | 0.9809 | 0.9486 |
| N-Methylnicotinamide | 1.0716 | 0.9252 | 1.1151 | 0.9570 | 1.0892 | 1.0571 | 1.0411 | 0.9042 | 1.1175 | 1.0081 | 0.8407 | 1.1313 | 1.1445 | 1.0448 | 0.9239 | 1.0967 | 1.0331 | 0.9141 | 0.9863 | 0.9356 | 1.1979 | 0.9697 | 1.0740 | 0.9578 | 0.9023 | 0.8523 | 0.8889 | 0.7956 | 1.1248 | 0.9036 | 1.0998 | 0.8964 |
| N-Methylphenylalanine | 1.1886 | 1.2331 | 1.3330 | 1.5811 | 1.2074 | 1.0912 | 1.2494 | 1.0100 | 0.8231 | 0.9611 | 0.7892 | 0.8142 | 0.7173 | 0.8022 | 0.6515 | 0.7404 | 0.8455 | 0.9629 | 0.7413 | 1.1169 | 1.0421 | 1.2303 | 0.8692 | 1.0004 | 0.8907 | 0.8879 | 0.9762 | 1.0508 | 1.1657 | 0.8316 | 1.1761 | 1.0197 |
| O-Acetyl-homoserine | 0.7413 | 0.9609 | 0.8285 | 1.1077 | 0.7870 | 1.1722 | 0.7905 | 0.9098 | 1.8020 | 1.3903 | 1.4493 | 1.7673 | 1.2538 | 1.2646 | 1.1114 | 1.1125 | 0.6557 | 0.8122 | 0.6774 | 0.7879 | 0.7917 | 0.9835 | 0.7026 | 1.1268 | 0.8335 | 0.7633 | 0.8469 | 0.8880 | 0.7423 | 0.8879 | 0.8543 | 1.1970 |
| O-cresol sulfate/P-cresol sulfate | 0.8907 | 0.6946 | 0.9089 | 0.9157 | 0.7494 | 0.5653 | 0.7656 | 0.5855 | 1.3754 | 1.3681 | 1.1913 | 1.5288 | 1.3798 | 1.2769 | 1.3366 | 1.3519 | 0.7141 | 0.9687 | 0.8663 | 0.7828 | 0.9373 | 0.9739 | 0.7928 | 0.8229 | 1.1806 | 0.9546 | 1.0889 | 0.9222 | 1.1364 | 0.7643 | 1.2030 | 1.0065 |
| Octadecanedioic acid | 0.3480 | 2.6184 | 0.7941 | 2.1638 | 0.5294 | 1.7977 | 0.4688 | 1.5838 | 0.7651 | 0.7022 | 0.6532 | 1.6510 | 0.5437 | 0.7790 | 0.5485 | 0.6506 | 0.2884 | 0.5069 | 0.5909 | 1.8787 | 0.4878 | 2.7123 | 0.7847 | 2.1094 | 1.1036 | 2.0390 | 0.5629 | 0.2682 | 0.8298 | 0.1788 | 0.6020 | 0.4594 |
| Ornithine | 0.7459 | 0.8249 | 0.5877 | 0.8173 | 0.5773 | 0.8068 | 0.5282 | 0.9833 | 1.7316 | 1.4898 | 1.5091 | 1.5134 | 1.4808 | 1.4008 | 1.5060 | 1.4482 | 0.7874 | 0.9757 | 0.0401 | 1.0002 | 0.8556 | 0.9340 | 0.8782 | 1.0780 | 0.8465 | 0.9465 | 0.7771 | 0.8229 | 0.9427 | 0.9776 | 1.2589 | 0.9274 |
| Orotic acid | 0.5390 | 0.5624 | 0.6396 | 0.6800 | 0.4865 | 0.4486 | 0.5808 | 0.5033 | 2.6408 | 3.7813 | 1.9597 | 3.9238 | 1.2644 | 0.9468 | 1.0221 | 0.4976 | 0.4869 | 0.7469 | 0.4300 | 0.6073 | 0.4180 | 0.5716 | 0.4062 | 0.6687 | 1.0777 | 0.7928 | 1.4284 | 0.4971 | 0.8271 | 0.7425 | 1.1385 | 0.6835 |
| Orotidine | 0.8626 | 0.7789 | 0.9520 | 0.7811 | 0.9437 | 0.8400 | 0.7170 | 0.6614 | 2.1419 | 2.0855 | 1.8633 | 2.4620 | 1.0175 | 0.8273 | 0.9598 | 0.9046 | 0.8196 | 1.1660 | 0.8059 | 0.8790 | 0.7431 | 1.1685 | 0.7981 | 0.8989 | 0.6475 | 0.7421 | 0.7247 | 0.7434 | 0.7557 | 0.8500 | 0.6973 | 0.7615 |
| Pantothenic acid | 1.0977 | 1.1058 | 1.1842 | 1.0808 | 0.9862 | 1.2303 | 0.9988 | 1.0970 | 1.6543 | 1.5204 | 1.2851 | 1.6555 | 1.1173 | 0.9364 | 0.9079 | 0.9154 | 0.6361 | 0.9043 | 0.6253 | 0.8369 | 0.6167 | 0.9226 | 0.6298 | 0.9363 | 0.9452 | 0.8555 | 0.8527 | 0.7430 | 0.9440 | 0.8056 | 1.0957 | 0.8771 |
| Phenol | 1.0042 | 0.8421 | 1.0286 | 1.0135 | 1.1193 | 0.7435 | 1.0700 | 0.8130 | 1.3168 | 1.2590 | 1.0957 | 1.4055 | 1.1014 | 1.0629 | 0.8954 | 0.8464 | 1.0149 | 0.9481 | 0.8471 | 1.0414 | 0.9548 | 1.0225 | 0.9977 | 0.8451 | 0.9028 | 0.6369 | 1.0486 | 1.1084 | 1.1764 | 0.8879 | 0.8736 | 1.0765 |
| Phenylacetylglycine | 0.6750 | 1.0195 | 0.6034 | 0.9724 | 0.4694 | 0.8053 | 0.4482 | 0.7304 | 1.0000 | 0.7923 | 0.6002 | 0.7393 | 1.2632 | 1.0142 | 0.9590 | 1.0315 | 0.9896 | 1.5944 | 1.0876 | 1.1765 | 1.0264 | 1.2257 | 1.0295 | 1.3074 | 1.3710 | 1.4713 | 1.0018 | 1.1769 | 1.0519 | 1.1433 | 1.1467 | 1.0770 |
| Phenylalanine | 0.6955 | 0.8796 | 0.8183 | 0.9836 | 0.6788 | 1.0351 | 0.7731 | 1.0998 | 1.4509 | 1.3076 | 1.1913 | 1.5166 | 1.2918 | 1.2043 | 1.3047 | 1.2176 | 0.9252 | 0.8572 | 0.8644 | 0.9557 | 0.9610 | 0.9458 | 0.9475 | 0.9734 | 0.8225 | 0.8058 | 0.7926 | 0.8358 | 1.0070 | 1.0075 | 0.9440 | 0.9059 |
| Phenyl hydrogen sulfate | 1.3350 | 0.6155 | 1.1683 | 0.7088 | 0.9507 | 0.5773 | 0.8289 | 0.5604 | 1.3170 | 1.0898 | 0.9366 | 1.0496 | 1.8085 | 1.4799 | 1.4707 | 1.6102 | 0.5779 | 0.8658 | 0.6470 | 0.8455 | 0.6633 | 0.7734 | 0.6480 | 0.8392 | 1.2795 | 1.0703 | 1.3574 | 0.8591 | 1.2323 | 0.7122 | 1.3049 | 0.8172 |
| Phosphatidylcholine/Lecithin | 0.9466 | 1.7459 | 0.9740 | 0.9585 | 0.7034 | 0.5919 | 0.6055 | 1.2621 | 1.8646 | 1.2308 | 0.5434 | 0.5246 | 0.3416 | 0.8630 | 0.8430 | 0.6914 | 1.0145 | 0.7747 | 1.7989 | 1.0746 | 1.0091 | 0.7871 | 0.7567 | 2.2987 | 1.1091 | 1.4293 | 0.1873 | 1.3405 | 1.4151 | 0.8204 | 0.4942 | 0.9995 |
| Phosphatidylinositol | 1.1143 | 1.3944 | 1.3823 | 0.7697 | 1.5295 | 0.8718 | 1.2066 | 1.0267 | 1.1418 | 1.1896 | 0.9028 | 0.9359 | 0.5756 | 0.7760 | 0.8544 | 0.7812 | 1.0462 | 0.8630 | 1.1168 | 0.9612 | 1.2507 | 0.6485 | 1.1554 | 1.1657 | 1.0435 | 0.8828 | 0.7719 | 1.2225 | 0.9290 | 0.5771 | 0.8297 | 1.0835 |
| Phosphoenolpyruvic acid | 0.9496 | 0.6187 | 0.9214 | 0.9581 | 0.8475 | 0.9553 | 0.8291 | 0.7454 | 1.2092 | 1.1602 | 0.7004 | 1.4747 | 1.8565 | 1.9078 | 2.0705 | 1.6565 | 0.7514 | 0.3420 | 0.7292 | 0.5179 | 0.7273 | 0.7443 | 0.6508 | 0.6228 | 1.2958 | 1.0540 | 1.0906 | 0.6243 | 1.0870 | 0.8339 | 1.2959 | 0.7718 |
| Phosphoethanolamine/Phosphocolamine | 1.4515 | 0.3265 | 1.4558 | 0.4087 | 1.2729 | 0.4465 | 1.6021 | 0.4393 | 1.5023 | 1.0995 | 0.8245 | 1.2719 | 1.4008 | 0.9511 | 0.7320 | 0.8761 | 0.8468 | 0.3851 | 0.6335 | 0.4864 | 0.6605 | 0.4400 | 0.7705 | 0.3815 | 1.6959 | 1.0237 | 1.7617 | 0.8367 | 1.9458 | 0.8156 | 2.3167 | 0.9382 |
| Phosphonoacetaldehyde | 0.7511 | 1.0415 | 0.8179 | 1.0931 | 0.6738 | 1.2674 | 0.6257 | 1.1802 | 1.4834 | 1.3148 | 1.0834 | 1.5493 | 1.3258 | 1.0305 | 1.1156 | 1.1381 | 0.9281 | 0.9054 | 0.9865 | 1.0502 | 0.9169 | 1.0775 | 0.9054 | 1.1155 | 0.7622 | 0.8359 | 0.7822 | 0.7179 | 0.8417 | 0.9293 | 0.9285 | 0.8252 |
| Pipecolic acid | 1.0519 | 0.8864 | 1.0625 | 0.7806 | 0.8310 | 1.0022 | 0.9211 | 0.8418 | 1.3451 | 1.2301 | 1.1738 | 1.4946 | 1.2660 | 1.1727 | 1.1261 | 1.1227 | 0.7794 | 0.9078 | 0.8006 | 0.9899 | 0.8792 | 1.0149 | 0.9778 | 1.0055 | 0.9164 | 0.8834 | 0.9824 | 0.8562 | 0.9833 | 0.9220 | 1.0299 | 0.7630 |
| Pro-Gly | 0.8459 | 1.0201 | 1.3957 | 0.7835 | 0.5814 | 0.7173 | 0.7831 | 1.0103 | 1.5287 | 1.2684 | 1.0817 | 1.4122 | 1.7298 | 1.2223 | 1.1275 | 1.2451 | 0.8239 | 0.7726 | 0.8239 | 0.9457 | 0.8358 | 0.9200 | 0.8728 | 0.6306 | 1.1930 | 0.8450 | 0.9266 | 0.8877 | 1.2585 | 0.7272 | 0.8253 | 0.9580 |
| Pro-hydroxyPro | 0.4959 | 1.0402 | 0.3791 | 1.1670 | 0.3512 | 1.0145 | 0.5549 | 0.8417 | 1.4005 | 1.0499 | 0.7826 | 1.4071 | 1.7983 | 1.6156 | 1.4531 | 1.6163 | 0.7188 | 0.9151 | 0.7347 | 1.2451 | 0.9486 | 1.0247 | 0.8923 | 1.1830 | 0.7653 | 0.8888 | 0.6926 | 0.8442 | 1.0000 | 1.0084 | 1.1310 | 1.0396 |
| Proline | 0.7128 | 0.6856 | 0.7726 | 0.7910 | 0.6757 | 0.8579 | 0.6707 | 0.8415 | 1.8512 | 1.8637 | 1.6039 | 2.0477 | 1.5964 | 1.2851 | 1.2739 | 1.2843 | 0.5816 | 1.0111 | 0.6382 | 0.9860 | 0.7009 | 0.9843 | 0.6368 | 1.0622 | 0.7184 | 0.7619 | 0.7016 | 0.7823 | 0.8236 | 0.9290 | 0.8854 | 0.9827 |
| Propionic acid/Lactaldehyde | 0.9232 | 1.0646 | 0.8897 | 1.1326 | 0.8838 | 1.0330 | 0.9322 | 0.9948 | 1.4306 | 1.2170 | 1.0821 | 1.4118 | 1.1079 | 0.9395 | 0.9682 | 0.9852 | 0.8061 | 1.0432 | 0.8186 | 1.0468 | 0.8429 | 1.0627 | 0.8938 | 1.2207 | 0.8628 | 0.9592 | 0.7639 | 0.8353 | 0.9898 | 0.9240 | 0.9826 | 0.9514 |
| Pseudouridine | 0.6829 | 1.1943 | 0.6413 | 1.1982 | 0.6323 | 0.9103 | 0.7292 | 0.8693 | 1.3424 | 1.1092 | 0.9620 | 1.2174 | 1.2178 | 1.2307 | 1.1507 | 1.2095 | 0.8597 | 1.0713 | 0.8499 | 1.1652 | 0.9276 | 0.9775 | 0.9360 | 1.0335 | 0.9256 | 1.0415 | 0.8406 | 0.9459 | 1.1058 | 1.0453 | 1.0530 | 0.9240 |
| Putrescine | 0.8957 | 1.0398 | 0.7926 | 0.9519 | 0.7356 | 0.7179 | 1.0513 | 1.1860 | 0.8906 | 0.7636 | 1.1725 | 0.8171 | 0.6879 | 0.7573 | 0.7482 | 0.8784 | 0.7269 | 1.3485 | 0.7987 | 1.2441 | 1.0389 | 1.0954 | 0.9836 | 1.1517 | 1.0044 | 1.1064 | 1.0835 | 1.5195 | 1.0150 | 1.3677 | 1.0917 | 1.3375 |
| Pyridoxal | 1.0033 | 0.9403 | 0.9559 | 0.9809 | 0.8901 | 0.9383 | 1.0978 | 1.0095 | 1.3810 | 1.3609 | 1.1249 | 1.4121 | 1.1508 | 1.0009 | 1.0116 | 0.9233 | 0.9630 | 0.9568 | 0.9745 | 1.0171 | 0.9264 | 0.9164 | 0.9597 | 0.9759 | 0.8553 | 0.9327 | 0.8253 | 0.7936 | 0.9652 | 0.8581 | 1.0281 | 0.8703 |
| Pyroglutamic acid | 0.7043 | 0.8263 | 0.7065 | 0.8984 | 0.5727 | 1.0573 | 0.6400 | 1.0544 | 1.5868 | 1.4655 | 1.2314 | 1.6818 | 1.3706 | 1.1322 | 1.1339 | 1.2016 | 0.8528 | 0.8866 | 0.8617 | 0.9947 | 0.9025 | 0.9010 | 0.9651 | 1.0481 | 0.8869 | 0.9134 | 0.7690 | 0.8148 | 0.9330 | 0.9501 | 1.0529 | 1.0038 |
| Pyruvic acid | 1.1043 | 0.9825 | 1.3638 | 0.9613 | 1.1458 | 1.2782 | 0.9907 | 1.1498 | 0.9408 | 0.9591 | 0.8536 | 0.8632 | 1.0532 | 1.3752 | 0.9836 | 1.1112 | 0.7832 | 1.1267 | 0.8558 | 0.9393 | 0.8774 | 1.0274 | 0.7770 | 1.1515 | 0.9902 | 1.0963 | 0.8308 | 0.8265 | 0.9088 | 0.8463 | 0.9263 | 0.9204 |
| Quinic acid | 1.2669 | 0.8072 | 1.4409 | 1.1764 | 1.3580 | 0.8169 | 1.4437 | 0.7261 | 1.0232 | 0.8719 | 0.9229 | 1.1308 | 0.9888 | 1.1498 | 1.0090 | 0.9452 | 0.7334 | 0.9116 | 0.9816 | 0.8662 | 0.9789 | 0.9936 | 0.8552 | 0.9134 | 0.9754 | 0.8400 | 0.9267 | 0.9182 | 1.3363 | 0.7839 | 1.1510 | 0.7565 |
| Ribose | 0.8713 | 1.1797 | 0.8052 | 1.3188 | 0.8322 | 0.9838 | 0.6986 | 0.9714 | 1.2988 | 0.9886 | 1.0159 | 1.2061 | 1.1589 | 1.2731 | 1.1710 | 1.2367 | 0.6400 | 1.0839 | 0.8670 | 1.2274 | 0.9112 | 1.1274 | 0.9050 | 1.2723 | 0.8223 | 0.9510 | 0.6834 | 0.8061 | 0.9987 | 1.0654 | 0.7553 | 0.8736 |
| Ribose 5-phosphate | 0.9098 | 0.8347 | 1.0245 | 0.6922 | 0.9560 | 0.8250 | 0.9041 | 0.7165 | 1.2860 | 1.0850 | 1.1842 | 1.3173 | 1.1479 | 1.3848 | 1.1995 | 1.2926 | 0.9427 | 0.7881 | 1.0005 | 0.6158 | 1.1459 | 0.6833 | 1.1051 | 0.6449 | 1.0599 | 0.8059 | 0.9461 | 1.0151 | 1.2570 | 0.9036 | 1.2492 | 1.0769 |
| S-Adenosylhomocysteine | 0.8312 | 0.7590 | 0.9795 | 0.7066 | 0.7702 | 0.7518 | 0.8061 | 0.8397 | 1.4526 | 1.4728 | 1.2485 | 1.9084 | 1.4493 | 1.4126 | 1.3294 | 1.2368 | 0.7485 | 0.7363 | 0.8446 | 0.9355 | 0.8164 | 0.8506 | 0.7583 | 1.0042 | 1.0488 | 0.8085 | 0.8738 | 0.7429 | 0.8932 | 0.8587 | 1.1283 | 0.9967 |
| S-Adenosylmethionine | 1.1064 | 0.7570 | 1.2298 | 0.7781 | 0.8690 | 0.8735 | 0.8980 | 0.9173 | 1.5146 | 0.9074 | 0.8015 | 1.5420 | 1.2758 | 0.9144 | 1.1112 | 1.0514 | 0.8405 | 0.7289 | 0.9019 | 0.8784 | 1.0165 | 0.7701 | 1.0797 | 1.0355 | 1.1853 | 0.8506 | 0.9670 | 0.6548 | 1.1137 | 0.9710 | 1.5077 | 0.9510 |
| Salicylic acid | 1.1054 | 0.9167 | 1.0283 | 0.9194 | 1.0704 | 0.9274 | 1.0277 | 0.9429 | 1.3118 | 1.1974 | 1.0817 | 1.3521 | 0.9811 | 0.9194 | 0.9894 | 0.9001 | 1.0593 | 0.8933 | 1.0189 | 0.9856 | 0.9336 | 0.8945 | 0.9632 | 0.9190 | 0.9429 | 0.9639 | 0.9491 | 0.9628 | 0.9977 | 0.8898 | 0.9777 | 0.9775 |
| Sapropterin | 0.5149 | 1.0008 | 0.5991 | 1.2025 | 0.3904 | 1.3656 | 0.3349 | 1.0763 | 1.8480 | 1.4833 | 1.4230 | 1.7010 | 1.2371 | 0.9381 | 1.3065 | 1.2563 | 1.0523 | 0.8058 | 1.1727 | 0.9185 | 1.0575 | 1.0277 | 1.1746 | 1.2652 | 0.5742 | 0.7838 | 0.6994 | 0.5569 | 0.8209 | 0.7892 | 0.8811 | 0.7424 |
| Sedoheptulose | 0.7858 | 0.8175 | 1.1874 | 1.3304 | 0.7398 | 0.8784 | 0.1695 | 0.9974 | 1.1251 | 1.2233 | 0.8819 | 1.7143 | 2.3970 | 1.1345 | 1.2668 | 0.1907 | NA | 0.9445 | 0.6677 | 1.2103 | 0.5205 | 1.5192 | 0.2768 | 1.4154 | 0.9487 | 1.9052 | 0.1961 | 1.0460 | 0.8501 | 1.1014 | 0.8603 | 0.6982 |
| Sedoheptulose 7-phosphate | 0.5350 | 0.6277 | NA | 1.1919 | NA | 1.0104 | 0.6443 | 0.7046 | 1.5276 | 1.0666 | 1.2281 | 1.4475 | 1.8636 | 1.4992 | 1.6813 | 1.2640 | 0.7733 | 0.8061 | 0.8902 | 0.9398 | 1.1654 | 0.6416 | 0.8626 | 0.9574 | 0.6271 | 0.8480 | 0.4287 | 0.6576 | 0.8269 | 1.2835 | 0.9821 | 1.0176 |
| Ser-Gln | 1.3301 | 0.3574 | 0.9396 | 1.0832 | 0.8704 | 0.9996 | 1.1860 | 0.8366 | 1.2652 | 0.6984 | 0.5557 | 1.7141 | 2.1611 | 1.9910 | 0.8911 | 1.1664 | 0.2635 | 0.6893 | 0.7283 | 0.8830 | 0.2300 | 0.2540 | 1.2484 | 0.2311 | 1.2146 | 0.7948 | 0.9849 | 1.0651 | 1.4639 | 1.1956 | 1.3605 | 1.3472 |
| Serine | 0.9130 | 0.8315 | 0.8277 | 0.8525 | 0.7848 | 0.9045 | 0.7908 | 0.8694 | 1.3346 | 1.1030 | 0.9523 | 1.3095 | 1.3302 | 1.1509 | 1.1811 | 1.2524 | 0.9669 | 0.9332 | 0.9533 | 0.8827 | 1.0218 | 0.9747 | 1.1263 | 1.0173 | 0.9570 | 0.9498 | 0.7895 | 0.7831 | 1.0889 | 0.9280 | 1.2629 | 0.9764 |
| Ser-Val | 0.0735 | 1.2118 | 0.6179 | 0.8818 | 0.2209 | 1.7118 | 0.6246 | 1.1999 | 2.3718 | 3.0776 | 2.0343 | 3.6861 | 1.2954 | 0.8466 | 0.7830 | 1.6631 | 0.3356 | 1.0840 | 0.2882 | 0.9055 | 0.3569 | 1.1497 | 0.1662 | 0.7207 | 0.2365 | 0.1475 | 0.2007 | 0.0652 | 1.1518 | 0.9101 | 1.2213 | 0.7599 |
| sn-Glycero-3-phosphate | 1.7100 | 0.7702 | 1.9377 | 0.8939 | 1.2620 | 0.9121 | 1.3178 | 0.7867 | 1.2955 | 1.0718 | 1.4184 | 1.3778 | 1.1266 | 1.1446 | 0.7196 | 0.9552 | 0.6711 | 0.9598 | 1.1117 | 0.4565 | 0.9945 | 0.4698 | 1.0657 | 0.5228 | 0.8957 | 0.9479 | 1.0184 | 0.7037 | 1.0587 | 0.7348 | 1.0125 | 0.6767 |
| sn-Glycero-3-phosphocholine | 1.6517 | 0.5679 | 1.7793 | 0.6938 | 1.4864 | 0.8357 | 1.3282 | 0.6144 | 2.0205 | 2.2089 | 1.6200 | 2.0341 | 1.1107 | 0.9907 | 0.9133 | 1.0043 | 0.5454 | 0.5621 | 0.5964 | 0.6784 | 0.5782 | 0.5687 | 0.6330 | 0.5987 | 0.8540 | 0.7048 | 0.8012 | 0.5905 | 1.0484 | 0.6953 | 0.9565 | 0.7286 |
| Sorbitol/Mannitol | 1.1212 | 0.8959 | 0.9446 | 0.8613 | 0.9201 | 1.1990 | 0.9980 | 1.2266 | 1.2323 | 1.2262 | 1.0332 | 1.2458 | 1.6010 | 0.9944 | 0.8807 | 0.8394 | 0.8905 | 0.9800 | 0.8772 | 0.9668 | 0.8334 | 0.8346 | 0.8553 | 0.9093 | 0.9963 | 0.9354 | 0.8616 | 0.8535 | 0.9115 | 0.9859 | 1.0180 | 1.0713 |
| Sphingosine | 1.1445 | 1.2863 | 0.9555 | 1.0142 | 0.8463 | 0.7687 | 0.7946 | 1.0210 | 1.3492 | 1.3390 | 0.9726 | 1.1058 | 0.6679 | 1.1667 | 1.0137 | 1.0699 | 1.1402 | 0.7144 | 1.5298 | 0.9364 | 1.1398 | 0.7556 | 0.6874 | 1.4072 | 0.9100 | 0.9600 | 0.6223 | 1.1101 | 1.2636 | 0.8436 | 0.5662 | 0.8972 |
| Succinic acid/4-Hydroxy-2-Oxobutanoate | 0.9261 | 1.0427 | 0.8973 | 1.0980 | 0.8798 | 1.0336 | 0.9014 | 0.9922 | 1.4239 | 1.2423 | 1.0925 | 1.4284 | 1.1070 | 0.9642 | 0.9883 | 1.0071 | 0.7921 | 1.0334 | 0.8292 | 1.0485 | 0.8500 | 1.0622 | 0.8886 | 1.2112 | 0.8658 | 0.9546 | 0.7596 | 0.8328 | 0.9614 | 0.9339 | 0.9829 | 0.9689 |
| Sucrose/Maltose | 0.8488 | 1.1939 | 0.7608 | 1.5746 | 0.6721 | 0.8951 | 0.7379 | 0.7855 | 0.6950 | 0.6977 | 0.7886 | 0.7579 | 1.0874 | 1.3970 | 1.2172 | 1.1714 | 0.8966 | 0.8518 | 1.0663 | 1.0271 | 1.0538 | 1.1690 | 1.0359 | 1.0610 | 1.0819 | 1.1529 | 0.9496 | 1.0937 | 1.1718 | 1.0886 | 1.0161 | 1.0031 |
| Taurine | 1.7106 | 0.8107 | 1.7455 | 0.8287 | 1.7830 | 1.0881 | 1.6259 | 1.1218 | 1.0693 | 0.9383 | 0.7962 | 1.0451 | 0.8701 | 0.7072 | 0.7746 | 0.7188 | 0.7412 | 1.0237 | 0.7885 | 1.0330 | 0.7676 | 0.9402 | 0.7786 | 1.0567 | 0.9722 | 0.6905 | 0.9350 | 0.6420 | 1.1045 | 0.8606 | 1.1729 | 0.8590 |
| Taurodeoxycholic acid/Taurochenodeoxycholic acid | 0.3679 | 1.7427 | 0.4606 | 0.9642 | NA | 1.2878 | 0.4626 | NA | 0.8313 | 1.1277 | 0.8325 | 1.6231 | 1.9123 | 1.2602 | 1.0323 | 1.2788 | 0.8959 | 0.8902 | 0.8012 | 1.1252 | 1.0667 | 0.9241 | 0.6768 | 0.7035 | 0.9927 | 1.2876 | 0.2704 | 1.4146 | 1.1086 | 1.0396 | 0.4440 | 1.1748 |
| Thiamine | 0.8396 | 1.2478 | 0.6567 | 1.1845 | 0.6289 | 0.9778 | 0.6514 | 1.0773 | 1.1167 | 0.8084 | 0.7126 | 0.9814 | 1.2978 | 1.3280 | 1.2457 | 1.1766 | 0.9669 | 0.9212 | 0.9128 | 1.1378 | 1.0031 | 0.9986 | 0.9877 | 1.1197 | 0.9096 | 1.0640 | 0.9477 | 0.9696 | 1.1141 | 0.9299 | 1.1937 | 0.8924 |
| Threonine/Homoserine | 0.7643 | 0.8254 | 0.7379 | 0.8632 | 0.6910 | 0.9493 | 0.7093 | 0.9372 | 1.5452 | 1.4963 | 1.2715 | 1.7308 | 1.3484 | 1.1632 | 1.2021 | 1.2352 | 0.7905 | 0.7951 | 0.8003 | 0.8766 | 0.8525 | 0.8475 | 1.0102 | 1.0282 | 0.9591 | 0.8768 | 0.8197 | 0.8322 | 0.9812 | 0.9012 | 1.1937 | 0.9648 |
| Thymidine | 1.2668 | 1.1229 | 1.2399 | 1.0666 | 1.0138 | 1.1153 | 1.0653 | 1.1278 | 1.6973 | 1.4983 | 1.2767 | 1.6662 | 1.2482 | 0.9996 | 0.9248 | 0.9023 | 0.5611 | 0.8993 | 0.6245 | 0.8562 | 0.5688 | 0.8003 | 0.6556 | 0.8973 | 0.8776 | 0.9461 | 0.7887 | 0.7284 | 0.9057 | 0.8065 | 0.9768 | 0.8754 |
| Toluene | 1.4697 | 1.3132 | 1.3670 | 0.9707 | 1.1221 | 1.0257 | 1.2550 | 0.8993 | 1.0728 | 1.2328 | 0.7445 | 1.0049 | 1.1505 | 1.0849 | 0.7600 | 1.2380 | 0.7283 | 0.6352 | 0.7747 | 1.5176 | 0.7391 | 0.9383 | 1.1799 | 0.9048 | 0.8460 | 0.7622 | 0.5507 | 0.9138 | 1.4951 | 0.5843 | 1.3639 | 0.3551 |
| Trimethylamine N-oxide | 1.2080 | 0.8641 | 0.7976 | 1.0590 | 1.0275 | 0.6813 | 0.8679 | 1.4952 | 0.8971 | 0.7099 | 0.9362 | 0.5448 | 1.3658 | 0.9772 | 1.0005 | 1.3268 | 0.9227 | 0.9186 | 1.1080 | 0.9897 | 1.4314 | 0.4534 | 1.0947 | 0.9882 | 1.1708 | 0.9646 | 1.1344 | 0.8893 | 1.0371 | 0.8437 | 1.1936 | 1.1011 |
| Tryptophan | 0.7514 | 0.8115 | 0.7746 | 1.0219 | 0.6636 | 1.1658 | 0.7081 | 0.9798 | 1.3211 | 1.3289 | 1.3368 | 1.5595 | 1.4908 | 1.1494 | 1.1042 | 1.1374 | 0.8497 | 0.8352 | 0.9759 | 0.9153 | 0.8672 | 0.8477 | 0.9445 | 1.0162 | 0.7783 | 0.8926 | 0.7129 | 0.7730 | 0.9143 | 1.4926 | 0.9506 | 0.9292 |
| Tyrosine | 0.8570 | 0.9367 | 0.8496 | 0.8849 | 0.8851 | 1.0412 | 0.8358 | 1.0662 | 1.2928 | 1.4253 | 1.2744 | 1.3782 | 1.2980 | 1.0564 | 1.2301 | 1.2111 | 0.8681 | 0.8202 | 0.8692 | 0.9094 | 1.0121 | 0.9368 | 1.0259 | 1.1111 | 0.8118 | 0.8002 | 0.7535 | 0.8396 | 0.9240 | 0.8619 | 0.9651 | 0.9683 |
| UDP-glucose/UDP-galactose | 1.1090 | 0.6789 | 0.8134 | 0.8077 | 0.9832 | 1.0452 | 0.9224 | 0.3800 | 1.0427 | 1.4314 | 0.9896 | 1.3452 | 1.1573 | 1.0102 | 1.3183 | 1.0247 | 1.0930 | 0.2481 | 0.8097 | 0.7852 | 1.1065 | 0.7794 | 0.9211 | 1.2637 | 1.2421 | 1.0675 | 1.1091 | 0.8897 | 0.9630 | 1.1790 | 1.1776 | 1.3061 |
| UDP-N-acetylglucosamine | 1.1033 | 0.4947 | 1.3040 | 0.5323 | 0.8141 | 0.5939 | 0.9029 | 0.5417 | 3.0076 | 2.7859 | 2.5010 | 3.3537 | 1.4722 | 1.4168 | 1.1167 | 1.1820 | 0.3017 | 0.5294 | 0.3390 | 0.5903 | 0.3237 | 0.5983 | 0.3024 | 0.6520 | 0.6508 | 0.5705 | 0.5396 | 0.4912 | 0.7152 | 0.7070 | 0.8276 | 0.7384 |
| UMP | 1.0639 | 0.9131 | 0.8961 | 1.0063 | 1.0357 | 0.7856 | 0.7732 | 0.8868 | 1.0999 | 1.1575 | 1.2433 | 1.0843 | 1.1345 | 1.0106 | 0.9117 | 1.1433 | 1.1230 | 0.7575 | 1.1000 | 0.8230 | 1.2314 | 0.6918 | 1.1686 | 0.9514 | 1.0766 | 1.0590 | 0.8959 | 1.0329 | 0.8643 | 1.1270 | 0.8839 | 1.0678 |
| Uracil | 0.9336 | 1.0250 | 0.9512 | 1.0581 | 0.9361 | 0.9459 | 0.8949 | 0.9985 | 1.0635 | 0.9768 | 0.9114 | 0.9340 | 1.1615 | 1.0635 | 0.9611 | 1.1230 | 0.9273 | 1.0450 | 1.0045 | 1.0734 | 0.9284 | 1.0970 | 0.9971 | 1.0841 | 0.9233 | 1.0880 | 0.9253 | 0.9983 | 1.0462 | 1.0420 | 0.9135 | 0.9684 |
| Urea | 0.9008 | 0.9820 | 0.8330 | 1.0653 | 0.7098 | 0.9274 | 0.7801 | 0.8043 | 1.3504 | 1.2386 | 0.9926 | 1.2228 | 1.2644 | 1.2638 | 1.0845 | 1.2718 | 0.7257 | 0.9514 | 0.9022 | 1.0701 | 0.8450 | 1.0163 | 0.8913 | 1.0456 | 1.0521 | 1.1008 | 0.8506 | 0.8558 | 1.0233 | 1.0428 | 1.0173 | 0.9180 |
| Uridine | 0.6339 | 0.8371 | 0.8611 | 0.9258 | 0.6916 | 1.1004 | 0.7838 | 1.0463 | 1.3091 | 1.1816 | 1.1893 | 1.5421 | 1.4601 | 0.9870 | 1.0923 | 1.0653 | 1.1486 | 0.8127 | 1.3243 | 0.8496 | 1.4924 | 0.7696 | 1.3529 | 1.2325 | 0.6648 | 0.7186 | 0.6006 | 0.8225 | 0.8960 | 0.7496 | 0.8507 | 1.0078 |
| Urocanic acid | 0.8961 | 0.8102 | 0.9284 | 0.9947 | 0.4937 | 1.0190 | 0.9213 | 0.8706 | 1.2892 | 1.8234 | 0.9276 | 1.1796 | 1.2961 | 1.5222 | 0.9524 | 1.2240 | 0.7731 | 1.0580 | 0.6694 | 1.2950 | 0.7956 | 0.9404 | 0.7386 | 1.0140 | 1.1430 | 1.0041 | 0.9881 | 0.7117 | 0.9694 | 0.9422 | 0.8719 | 0.9370 |
| Valine | 1.8531 | 1.4761 | 2.0176 | 1.5799 | 0.1105 | 1.7637 | 0.1124 | 1.6464 | 0.1683 | 0.1528 | 0.1422 | 0.1933 | 0.1585 | 0.1326 | 0.1346 | 0.1477 | 1.5058 | 1.8209 | 1.4863 | 1.7295 | 1.5696 | 1.9555 | 1.6100 | 1.9769 | 0.1045 | 1.5113 | 0.0942 | 1.4592 | 0.1230 | 1.5999 | 0.1258 | 1.5377 |
| Xanthine | 0.8959 | 0.9293 | 0.7278 | 0.9466 | 0.6875 | 0.9123 | 0.7298 | 0.9311 | 1.5138 | 1.2242 | 0.9660 | 1.3731 | 1.4485 | 1.3997 | 1.3116 | 1.3252 | 0.8697 | 0.8854 | 0.8511 | 0.9822 | 0.8867 | 0.9218 | 0.9099 | 1.0045 | 1.0216 | 1.0130 | 0.7571 | 0.8113 | 1.0319 | 0.7982 | 1.0631 | 0.8701 |
| Xanthosine | 1.2038 | 0.7862 | 1.4584 | 0.8119 | 1.5365 | 0.6483 | 1.6569 | 0.9013 | 1.5058 | 1.4549 | 1.6058 | 1.8942 | 0.7898 | 0.9624 | 0.9793 | 0.9924 | 0.8393 | 0.6556 | 0.8664 | 0.7448 | 1.0528 | 0.4964 | 0.9369 | 0.7524 | 0.8297 | 0.7234 | 0.7800 | 0.6369 | 0.9404 | 0.6179 | 1.0930 | 0.8466 |
| Xylene | 1.1219 | 1.1299 | 1.6806 | 0.5208 | 1.2167 | 1.1835 | 1.0691 | 0.9802 | 0.7569 | 0.7799 | 0.2742 | 1.0999 | 0.0433 | 0.9825 | 0.9282 | 1.4885 | 1.1099 | 0.6934 | 1.2977 | 0.6270 | 0.8962 | 0.5749 | 1.3061 | 0.9240 | 1.4342 | 0.7434 | 1.5621 | 1.1981 | 1.2557 | 0.6549 | 1.4477 | 1.0186 |
Factors:
| F1 | Genotype:shNRF2-Ful length NRF2 | Treatment:Dox+ | Sample Label:FL+1 |
| F2 | Genotype:shNRF2-Ful length NRF2 | Treatment:Dox- | Sample Label:FL-1 |
| F3 | Genotype:shNRF2-Ful length NRF2 | Treatment:Dox+ | Sample Label:FL+2 |
| F4 | Genotype:shNRF2-Ful length NRF2 | Treatment:Dox- | Sample Label:FL-2 |
| F5 | Genotype:shNRF2-Ful length NRF2 | Treatment:Dox+ | Sample Label:FL+3 |
| F6 | Genotype:shNRF2-Ful length NRF2 | Treatment:Dox- | Sample Label:FL-3 |
| F7 | Genotype:shNRF2-Ful length NRF2 | Treatment:Dox+ | Sample Label:FL+4 |
| F8 | Genotype:shNRF2-Ful length NRF2 | Treatment:Dox- | Sample Label:FL-4 |
| F9 | Genotype:shNRF2-Luciferase | Treatment:Dox+A485 | Sample Label:A485+1 |
| F10 | Genotype:shNRF2-Luciferase | Treatment:Dox+A485 | Sample Label:A485+2 |
| F11 | Genotype:shNRF2-Luciferase | Treatment:Dox+A485 | Sample Label:A485+3 |
| F12 | Genotype:shNRF2-Luciferase | Treatment:Dox+A485 | Sample Label:A485+4 |
| F13 | Genotype:shNRF2-Luciferase | Treatment:Dox+DMSO | Sample Label:DMSO+1 |
| F14 | Genotype:shNRF2-Luciferase | Treatment:Dox+DMSO | Sample Label:DMSO+2 |
| F15 | Genotype:shNRF2-Luciferase | Treatment:Dox+DMSO | Sample Label:DMSO+3 |
| F16 | Genotype:shNRF2-Luciferase | Treatment:Dox+DMSO | Sample Label:DMSO+4 |
| F17 | Genotype:shNRF2-Luciferase | Treatment:Dox+ | Sample Label:luc+1 |
| F18 | Genotype:shNRF2-Luciferase | Treatment:Dox- | Sample Label:luc-1 |
| F19 | Genotype:shNRF2-Luciferase | Treatment:Dox+ | Sample Label:luc+2 |
| F20 | Genotype:shNRF2-Luciferase | Treatment:Dox- | Sample Label:luc-2 |
| F21 | Genotype:shNRF2-Luciferase | Treatment:Dox+ | Sample Label:luc+3 |
| F22 | Genotype:shNRF2-Luciferase | Treatment:Dox- | Sample Label:luc-3 |
| F23 | Genotype:shNRF2-Luciferase | Treatment:Dox+ | Sample Label:luc+4 |
| F24 | Genotype:shNRF2-Luciferase | Treatment:Dox- | Sample Label:luc-4 |
| F25 | Genotype:shNRF2-NRF2 Neh4,5 mut | Treatment:Dox+ | Sample Label:45+1 |
| F26 | Genotype:shNRF2-NRF2 Neh4,5 mut | Treatment:Dox- | Sample Label:45-1 |
| F27 | Genotype:shNRF2-NRF2 Neh4,5 mut | Treatment:Dox+ | Sample Label:45+2 |
| F28 | Genotype:shNRF2-NRF2 Neh4,5 mut | Treatment:Dox- | Sample Label:45-2 |
| F29 | Genotype:shNRF2-NRF2 Neh4,5 mut | Treatment:Dox+ | Sample Label:45+3 |
| F30 | Genotype:shNRF2-NRF2 Neh4,5 mut | Treatment:Dox- | Sample Label:45-3 |
| F31 | Genotype:shNRF2-NRF2 Neh4,5 mut | Treatment:Dox+ | Sample Label:45+4 |
| F32 | Genotype:shNRF2-NRF2 Neh4,5 mut | Treatment:Dox- | Sample Label:45-4 |