Data for (Study ST003032)
(Analysis AN004971)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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 11-ketoetiocholanolone glucuronide | 0.9742 | 0.9677 | 0.9769 | 0.9540 | 0.9513 | 0.9388 | 1.2242 | 0.9444 | 0.9371 | 0.9613 | 0.9701 | 0.9447 | 0.9387 | 0.9473 | 0.9500 | 0.9734 | 0.9897 | 0.9267 | 0.9551 | 0.9495 | 0.8998 | 0.9320 | 1.2048 | 0.9321 |
| 11-ketoetiocholanolone sulfate | 1.0074 | 1.0829 | 1.1084 | 1.1006 | 1.0093 | 0.9142 | 0.9420 | 1.1028 | 1.0039 | 0.9286 | 1.1117 | 1.0204 | 0.8864 | 0.9670 | 1.0237 | 1.0437 | 0.9449 | 1.0181 | 1.0453 | 1.0276 | 0.8981 | 0.9660 | 0.9709 | 0.9856 |
| 1,2,3-benzenetriol sulfate (1) | 0.9593 | 0.9543 | 0.9702 | 0.9575 | 0.9097 | 0.9620 | 1.3020 | 0.9273 | 0.8904 | 0.9026 | 0.9421 | 0.9174 | 0.8671 | 0.9150 | 0.8992 | 0.9467 | 0.9426 | 0.9766 | 0.9453 | 0.9207 | 0.9291 | 0.9121 | 1.2939 | 0.9700 |
| 1,2,3-benzenetriol sulfate (2) | 1.0384 | 0.9708 | 1.0175 | 0.9763 | 0.9841 | 1.0013 | 1.1469 | 0.9986 | 0.9662 | 0.9234 | 0.9149 | 0.9768 | 0.9247 | 0.9522 | 0.9117 | 0.9189 | 1.0438 | 0.9826 | 1.0408 | 0.9778 | 0.9651 | 0.9822 | 1.1044 | 0.9354 |
| 12-dehydrocholate | 1.1759 | 0.9194 | 1.0863 | 1.0886 | 1.0344 | 1.0740 | 0.9671 | 1.0347 | 0.9317 | 1.0914 | 0.9948 | 1.0460 | 0.9927 | 0.9920 | 0.9656 | 0.9577 | 1.2019 | 0.8745 | 1.0543 | 0.9646 | 0.7971 | 1.0626 | 0.9458 | 1.0652 |
| 1,3,7-trimethylurate | 0.7949 | 1.0908 | 0.9067 | 0.9450 | 0.9673 | 1.0160 | 1.1585 | 1.0528 | 0.9267 | 0.8219 | 1.0387 | 1.1190 | 0.9652 | 0.9499 | 1.0636 | 1.0806 | 0.8384 | 0.9065 | 0.8672 | 0.8697 | 0.9858 | 0.8619 | 1.1807 | 0.9166 |
| 1,3-dimethylurate | 0.9458 | 0.9159 | 1.0393 | 1.0091 | 1.0177 | 0.9971 | 1.0410 | 1.0406 | 0.9774 | 1.0996 | 1.0042 | 1.0441 | 0.9265 | 0.9272 | 1.0113 | 1.0958 | 1.0160 | 1.0258 | 0.9456 | 0.9412 | 0.9528 | 0.9308 | 1.0151 | 0.9842 |
| 1,5-anhydroglucitol (1,5-AG) | 1.0773 | 0.9663 | 1.1576 | 1.1303 | 1.0801 | 1.0035 | 1.2419 | 0.9213 | 0.9520 | 1.0014 | 0.9288 | 0.8270 | 0.7947 | 0.8334 | 0.8310 | 0.9969 | 0.9299 | 0.9710 | 0.9292 | 0.9320 | 0.9914 | 1.0330 | 1.0870 | 1.0022 |
| 16a-hydroxy DHEA 3-sulfate | 1.0171 | 0.9778 | 1.0314 | 0.9744 | 0.9642 | 0.9392 | 1.1987 | 0.9851 | 0.9457 | 0.9791 | 0.9212 | 0.9291 | 0.9300 | 0.9513 | 0.9326 | 0.9659 | 0.9755 | 0.9153 | 0.9854 | 0.9434 | 0.8851 | 0.9584 | 1.1906 | 0.9453 |
| 1,6-anhydroglucose | 0.8511 | 1.0497 | 0.7571 | 0.8529 | 0.8537 | 0.8385 | 1.0516 | 0.7979 | 0.9647 | 1.0052 | 0.9126 | 0.9444 | 0.9849 | 0.9904 | 0.9751 | 0.9923 | 1.1499 | 1.2331 | 1.1032 | 1.0495 | 1.0268 | 1.0385 | 1.1398 | 1.1652 |
| 17alpha-hydroxypregnanolone glucuronide | 0.8167 | 0.8962 | 0.8792 | 0.8301 | 0.9830 | 0.9222 | 1.4714 | 0.8523 | 0.8536 | 0.9202 | 0.9817 | 0.8353 | 0.7754 | 0.9222 | 0.8436 | 0.8192 | 0.9553 | 0.9090 | 0.8862 | 0.8475 | 0.9003 | 0.8024 | 1.5337 | 0.9516 |
| 1,7-dimethylurate | 0.9659 | 0.9630 | 0.9817 | 0.9560 | 0.9365 | 0.9436 | 1.2219 | 0.9527 | 0.9508 | 0.9437 | 0.9558 | 0.9631 | 0.9196 | 0.9577 | 0.9313 | 0.9589 | 0.9488 | 0.9638 | 0.9563 | 0.9464 | 0.9204 | 0.9324 | 1.2084 | 0.9642 |
| 1-methyl-beta-carboline-3-carboxylic acid | 1.0543 | 0.9074 | 0.9523 | 1.0634 | 0.9162 | 0.9274 | 1.2256 | 0.9488 | 0.9131 | 0.8410 | 0.8869 | 0.9667 | 0.8472 | 0.8246 | 0.9093 | 0.8393 | 0.9600 | 0.8253 | 0.9385 | 1.0278 | 0.9101 | 1.0082 | 1.2789 | 0.8110 |
| 1-methylguanine | 1.1619 | 1.0357 | 1.0943 | 1.1434 | 1.0690 | 1.1075 | 1.0351 | 1.1805 | 1.0319 | 0.9106 | 1.0364 | 1.1088 | 0.9363 | 0.9623 | 0.8969 | 0.9696 | 0.8866 | 0.8713 | 0.8588 | 1.0100 | 0.8357 | 0.8612 | 0.9507 | 0.9648 |
| 1-methylhistidine | 1.0004 | 0.9792 | 1.0051 | 0.9451 | 0.9537 | 0.9409 | 1.1218 | 0.9499 | 1.0095 | 0.9785 | 0.9661 | 0.9927 | 0.9713 | 0.9957 | 0.9492 | 0.9468 | 0.9795 | 1.0075 | 0.9828 | 0.9648 | 0.9584 | 0.9510 | 1.1209 | 0.9918 |
| 1-methylxanthine | 1.0169 | 0.9607 | 0.9459 | 0.9831 | 0.9453 | 0.9825 | 1.1354 | 0.9777 | 1.0118 | 0.9069 | 0.9381 | 1.0282 | 0.9629 | 0.9433 | 0.9437 | 0.9798 | 0.9913 | 0.9790 | 1.0264 | 0.9701 | 0.9161 | 0.9431 | 1.1199 | 0.9563 |
| 21-hydroxypregnenolone disulfate | 1.0067 | 0.9785 | 1.0465 | 1.0116 | 0.9809 | 0.9449 | 1.1844 | 1.0038 | 0.8861 | 0.9513 | 0.8940 | 0.8678 | 0.8810 | 0.9187 | 0.8823 | 0.9282 | 0.9784 | 1.0145 | 1.0233 | 0.9649 | 0.9404 | 0.9981 | 1.2086 | 0.9928 |
| 2,3-dihydroxy-2-methylbutyrate | 0.9252 | 0.8724 | 0.8768 | 1.0178 | 0.9723 | 0.9717 | 1.1288 | 0.9787 | 1.0506 | 0.9168 | 1.0674 | 0.9632 | 0.9791 | 0.9973 | 0.9293 | 0.8551 | 0.8958 | 0.8770 | 1.0185 | 0.9889 | 1.0026 | 1.0067 | 1.1606 | 1.0696 |
| 2,4,6-trihydroxybenzoate | 1.0387 | 1.0130 | 1.0316 | 0.9811 | 1.0027 | 1.0442 | 1.0632 | 1.0233 | 0.9066 | 0.9477 | 1.0141 | 0.9303 | 0.8891 | 0.9436 | 0.9208 | 0.9145 | 1.0430 | 1.0505 | 1.0449 | 1.0127 | 1.0177 | 1.0187 | 1.0400 | 1.0703 |
| 2,4-dihydroxyhydrocinnamate | 1.0729 | 0.8114 | 0.8161 | 0.9618 | 1.2498 | 0.8782 | 0.8532 | 1.1067 | 1.1282 | 0.8104 | 1.0660 | 1.2987 | 0.8544 | 1.2342 | 1.0245 | 1.0916 | 1.1124 | 0.8378 | 1.0395 | 1.1057 | 1.0951 | 0.7967 | 1.0131 | 0.8195 |
| 2,8-quinolinediol | 1.0998 | 0.9078 | 1.0317 | 1.1910 | 0.8663 | 1.0640 | 0.7588 | 1.0483 | 1.2104 | 1.0904 | 0.9072 | 1.3442 | 1.0860 | 1.1081 | 0.9850 | 0.8795 | 0.9725 | 0.9934 | 1.1395 | 1.4297 | 0.8887 | 1.0102 | 0.7520 | 1.0722 |
| 2,8-quinolinediol sulfate | 0.9945 | 0.9767 | 1.0102 | 0.9974 | 0.9732 | 0.9664 | 1.0343 | 0.9922 | 0.9675 | 0.9878 | 0.9772 | 0.9977 | 0.9833 | 1.0086 | 0.9972 | 0.9742 | 1.0262 | 0.9912 | 0.9901 | 1.0017 | 0.9551 | 1.0126 | 1.0428 | 0.9871 |
| 2-acetamidophenol sulfate | 0.4668 | 0.5070 | 0.5215 | 0.5297 | 0.4744 | 0.4548 | 3.0479 | 0.5457 | 0.5306 | 0.5529 | 0.5252 | 0.4988 | 0.4865 | 0.4955 | 0.4830 | 0.5260 | 0.4925 | 0.5228 | 0.4367 | 0.5423 | 0.5600 | 0.5308 | 3.1696 | 0.5339 |
| 2-acetolactate | 1.1574 | 1.0875 | 1.0514 | 0.9694 | 0.8670 | 1.0922 | 0.8985 | 1.0080 | 1.2127 | 0.9192 | 1.3475 | 1.0637 | 1.0736 | 0.9901 | 1.0559 | 1.0049 | 0.9208 | 0.9109 | 1.0610 | 1.0068 | 0.9999 | 1.0430 | 0.8645 | 1.0161 |
| 2-aminophenol sulfate | 0.7518 | 0.6033 | 0.6512 | 0.6358 | 0.6518 | 0.7025 | 2.4899 | 0.6337 | 0.6644 | 0.6537 | 0.6918 | 0.7315 | 0.7251 | 0.7364 | 0.6840 | 0.6633 | 0.7113 | 0.6774 | 0.7343 | 0.6573 | 0.5746 | 0.6782 | 2.3310 | 0.6154 |
| 2-butenoylglycine | 0.9436 | 0.9648 | 0.9709 | 0.9578 | 0.9372 | 0.9468 | 1.1875 | 0.9330 | 0.9532 | 0.9808 | 0.9335 | 0.9608 | 0.9430 | 0.9638 | 0.9384 | 0.9638 | 0.9630 | 0.9900 | 0.9471 | 0.9542 | 0.9596 | 0.9516 | 1.2010 | 0.9666 |
| 2^-deoxyguanosine | 0.9248 | 1.0609 | 1.0794 | 1.0580 | 1.0239 | 0.9924 | 1.0084 | 0.9233 | 0.9894 | 1.0561 | 0.9787 | 0.9480 | 1.0850 | 1.0646 | 0.9094 | 0.8833 | 1.0323 | 0.9713 | 0.9086 | 0.9865 | 0.9646 | 1.0015 | 1.0824 | 1.0337 |
| 2-ethylphenylsulfate | 0.9645 | 1.1347 | 0.8722 | 1.0750 | 0.9539 | 1.0959 | 0.9582 | 0.9869 | 0.9024 | 1.1589 | 1.2237 | 1.0946 | 0.9954 | 1.0903 | 0.9954 | 1.0627 | 0.8834 | 1.1164 | 1.0171 | 0.9284 | 0.9484 | 1.0334 | 0.8817 | 1.0682 |
| 2-hydroxy-3-methylvalerate | 1.1891 | 1.2332 | 1.1204 | 1.1845 | 0.9932 | 1.0581 | 1.0848 | 1.1206 | 1.1514 | 0.9429 | 0.8715 | 0.9141 | 1.0025 | 1.0239 | 0.9272 | 0.9801 | 0.9453 | 0.8549 | 1.0110 | 0.8700 | 0.9930 | 0.8896 | 0.7958 | 0.9350 |
| 2-hydroxyacetaminophen sulfate* | 0.6148 | 0.6725 | 0.6601 | 0.6320 | 0.6368 | 0.6164 | 2.3240 | 0.6217 | 0.6444 | 0.6403 | 0.6806 | 0.6603 | 0.6353 | 0.6287 | 0.6608 | 0.6790 | 0.6609 | 0.6383 | 0.6337 | 0.6547 | 0.6548 | 0.6442 | 2.7212 | 0.6860 |
| 2-hydroxyhippurate (salicylurate) | 0.9004 | 0.9885 | 0.9513 | 0.9281 | 0.9079 | 0.9420 | 1.1949 | 0.9162 | 0.9473 | 0.8985 | 0.9671 | 0.9985 | 0.9575 | 0.9551 | 0.9253 | 0.9865 | 0.9806 | 0.9673 | 0.9649 | 0.9526 | 0.9798 | 0.9298 | 1.2311 | 0.9720 |
| 2-hydroxyibuprofen | 1.4262 | 1.5613 | 1.5566 | 1.4597 | 1.4281 | 1.3399 | 0.5022 | 1.3100 | 1.4872 | 1.5056 | 1.3184 | 1.1006 | 1.2792 | 1.1986 | 1.4158 | 1.2198 | 1.1859 | 1.2369 | 1.2611 | 1.3005 | 1.2640 | 1.3499 | 0.4479 | 1.3919 |
| 2-methoxyacetaminophen glucuronide* | 0.6742 | 0.7524 | 0.6939 | 0.6718 | 0.6751 | 0.6776 | 2.2574 | 0.5971 | 0.7216 | 0.5960 | 0.7039 | 0.6778 | 0.7144 | 0.6950 | 0.6474 | 0.7163 | 0.6707 | 0.6407 | 0.6913 | 0.6575 | 0.7060 | 0.6897 | 2.3157 | 0.7039 |
| 2-methoxyacetaminophen sulfate* | 0.8131 | 0.9123 | 0.9534 | 0.7868 | 1.0483 | 0.8342 | 1.4109 | 0.8282 | 0.9623 | 0.8342 | 0.8507 | 1.0051 | 0.9708 | 1.0639 | 0.9103 | 0.9184 | 0.9915 | 0.8656 | 0.9696 | 0.8937 | 0.7475 | 0.8882 | 1.3743 | 0.7318 |
| 2-methoxyresorcinol sulfate | 1.0004 | 0.9661 | 0.9943 | 0.9415 | 0.9706 | 0.9828 | 1.1626 | 0.9513 | 0.9448 | 0.9260 | 0.9544 | 0.9718 | 0.9446 | 0.9761 | 0.9376 | 0.9598 | 0.9793 | 0.9882 | 1.0010 | 0.9692 | 0.9472 | 0.9515 | 1.1600 | 0.9538 |
| 2-methylbutyrylglycine | 1.0050 | 0.9748 | 0.9860 | 0.9572 | 0.9642 | 0.9890 | 1.0848 | 0.9798 | 0.9836 | 0.9904 | 0.9581 | 1.0024 | 0.9865 | 1.0038 | 0.9604 | 0.9508 | 1.0155 | 0.9873 | 1.0164 | 0.9853 | 0.9361 | 0.9868 | 1.0853 | 0.9652 |
| 2-methylcitrate/homocitrate | 1.0165 | 1.0029 | 1.0303 | 1.0038 | 1.0043 | 1.0015 | 1.0844 | 1.0119 | 0.9903 | 0.9578 | 0.9792 | 0.9921 | 0.9669 | 0.9785 | 0.9651 | 0.9492 | 0.9900 | 0.9699 | 0.9860 | 0.9795 | 0.9467 | 0.9716 | 1.0489 | 0.9658 |
| 2^-O-methyluridine | 1.0095 | 1.0128 | 1.0557 | 1.0211 | 1.0242 | 1.0110 | 1.0517 | 1.0476 | 1.0172 | 0.9352 | 0.9316 | 1.0098 | 1.0013 | 1.0097 | 0.9289 | 0.9482 | 0.9358 | 0.9954 | 1.0022 | 0.9368 | 0.9819 | 0.9340 | 1.0792 | 0.9607 |
| 2-oxindole-3-acetate | 0.9491 | 0.9455 | 0.9571 | 0.9497 | 0.9413 | 0.9610 | 1.2418 | 0.9606 | 0.9435 | 0.9687 | 0.9357 | 0.9335 | 0.8987 | 0.9526 | 0.9292 | 0.9471 | 0.9488 | 0.9378 | 0.9463 | 0.9631 | 0.8927 | 0.9606 | 1.2466 | 0.9363 |
| 2-oxoarginine* | 1.1508 | 1.1430 | 1.1972 | 1.0626 | 1.1265 | 1.1233 | 1.2116 | 1.1002 | 0.9225 | 0.9228 | 0.9450 | 0.8982 | 0.9219 | 0.9482 | 0.9185 | 0.9029 | 0.8963 | 0.9109 | 0.9116 | 0.8540 | 0.8704 | 0.8815 | 1.0437 | 0.8923 |
| 3-(3-hydroxyphenyl)propionate | 0.9022 | 0.9037 | 0.9482 | 0.8888 | 0.9231 | 0.8916 | 1.3516 | 0.9500 | 0.9224 | 0.9124 | 0.9047 | 0.9459 | 0.8791 | 0.9765 | 0.9257 | 0.8766 | 0.8971 | 0.9179 | 0.8858 | 0.9541 | 0.8665 | 0.9172 | 1.3663 | 0.9508 |
| 3-(3-hydroxyphenyl)propionate sulfate | 0.9625 | 0.9988 | 1.0298 | 0.9597 | 0.9663 | 0.9240 | 1.0639 | 0.9798 | 0.9590 | 0.9781 | 0.9990 | 0.9581 | 0.9699 | 0.9816 | 0.9930 | 0.9949 | 0.9822 | 1.0048 | 0.9155 | 1.0055 | 0.9764 | 1.0358 | 1.0839 | 1.0656 |
| 3,4-dihydroxyphenylacetate | 1.0253 | 1.0159 | 1.0327 | 0.9325 | 0.9129 | 0.9420 | 1.2002 | 0.9386 | 0.9541 | 0.8840 | 0.9323 | 0.9089 | 0.8920 | 0.9214 | 0.9569 | 0.8833 | 1.0307 | 1.0202 | 1.0335 | 0.9095 | 0.9763 | 0.9927 | 1.2045 | 0.9823 |
| 3,4-dihydroxyphenylacetate sulfate | 0.9896 | 1.0365 | 1.0459 | 0.9940 | 0.9622 | 0.9605 | 1.0558 | 1.0003 | 0.9304 | 0.9642 | 1.0039 | 0.9300 | 0.9242 | 0.8718 | 0.9285 | 0.9578 | 1.0071 | 1.0118 | 0.9684 | 1.0525 | 1.0072 | 1.0310 | 1.0918 | 1.0743 |
| 3-(4-hydroxyphenyl)lactate | 1.0253 | 0.9993 | 1.0581 | 1.0446 | 1.0776 | 1.0037 | 0.9517 | 1.0103 | 0.9985 | 1.0046 | 1.0143 | 1.0234 | 0.9967 | 1.0342 | 0.9633 | 1.0092 | 1.0232 | 1.0096 | 0.9968 | 0.9975 | 0.9811 | 0.9688 | 0.9532 | 1.0220 |
| 3,4-methyleneheptanoylcarnitine | 0.8849 | 0.9831 | 0.8969 | 0.8209 | 0.8984 | 0.8636 | 1.2613 | 1.0923 | 1.0037 | 0.8398 | 0.8539 | 1.0892 | 1.0297 | 0.8796 | 0.8990 | 0.8198 | 0.9351 | 0.8803 | 0.9213 | 0.9405 | 0.8947 | 0.9526 | 1.3314 | 0.9147 |
| 3,4-methylene heptanoylglycine | 0.9449 | 0.8971 | 0.9402 | 0.9445 | 0.8878 | 0.9647 | 1.3506 | 0.9892 | 0.8884 | 0.9640 | 0.8731 | 0.9505 | 0.9302 | 0.9097 | 0.8876 | 0.9195 | 0.9169 | 0.9666 | 0.8759 | 0.8810 | 0.8771 | 0.8754 | 1.3714 | 0.9411 |
| 3,5-dihydroxybenzoic acid | 1.0137 | 1.0524 | 0.9877 | 1.0124 | 0.9969 | 0.9373 | 1.0324 | 0.9679 | 1.0016 | 0.9259 | 0.9960 | 0.9873 | 0.9828 | 0.9253 | 0.9582 | 0.9950 | 1.0139 | 0.9897 | 1.0526 | 0.9901 | 0.9815 | 1.0253 | 1.0325 | 1.0615 |
| 3,7-dimethylurate | 1.0458 | 0.9803 | 1.0101 | 0.9750 | 0.9945 | 0.9668 | 1.0760 | 1.0039 | 0.9892 | 0.9859 | 0.9862 | 0.9937 | 0.9907 | 1.0074 | 0.9525 | 0.9845 | 1.0035 | 0.9851 | 1.0021 | 0.9840 | 0.9346 | 0.9385 | 1.0651 | 0.9572 |
| 3-acetylphenol | 0.7913 | 0.6888 | 0.6797 | 0.7550 | 0.6651 | 0.6263 | 1.0955 | 0.7935 | 0.9092 | 0.7184 | 1.2048 | 0.8393 | 0.8205 | 0.7612 | 0.7598 | 0.8153 | 1.1977 | 1.2095 | 1.1479 | 1.2082 | 1.1762 | 1.0965 | 1.2795 | 1.3359 |
| 3-acetylphenol sulfate | 0.9867 | 0.9649 | 1.0123 | 0.9776 | 0.9517 | 0.9649 | 1.0791 | 0.9960 | 0.9891 | 0.9519 | 0.9898 | 0.9847 | 0.9621 | 0.9675 | 0.9779 | 0.9774 | 0.9931 | 0.9840 | 0.9952 | 0.9990 | 0.9556 | 0.9778 | 1.0857 | 1.0074 |
| 3alpha,21-dihydroxy-5beta-pregnane-11,20-dione 21-glucuronide | 0.9975 | 0.9967 | 1.0329 | 0.9935 | 0.9749 | 0.9390 | 1.1246 | 0.9770 | 0.9626 | 0.9750 | 0.9686 | 0.9506 | 0.9497 | 0.9839 | 0.9628 | 0.9898 | 0.9612 | 0.9591 | 0.9765 | 0.9539 | 0.9275 | 0.9455 | 1.1330 | 0.9878 |
| 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) | 0.9734 | 1.0219 | 1.0345 | 0.9579 | 0.9469 | 0.9506 | 1.1070 | 1.0083 | 0.9992 | 0.9516 | 0.9894 | 1.0073 | 0.9333 | 0.9829 | 1.0159 | 0.9810 | 0.9609 | 0.9261 | 0.9262 | 0.9733 | 0.8839 | 0.9612 | 1.1114 | 1.0044 |
| 3-hydroxycinnamate | 0.9510 | 0.9419 | 0.9466 | 0.9606 | 0.9065 | 1.0046 | 1.2650 | 0.9191 | 0.8962 | 0.9078 | 0.8926 | 0.9993 | 0.8397 | 0.9223 | 0.9346 | 0.9147 | 0.9391 | 0.9337 | 0.7498 | 0.9001 | 0.9594 | 0.9628 | 1.3406 | 0.9992 |
| 3-hydroxycinnamate sulfate | 0.9643 | 0.9684 | 0.9945 | 0.9285 | 0.9573 | 0.9169 | 1.0521 | 0.9368 | 0.9799 | 1.0010 | 0.9954 | 0.9965 | 0.9871 | 0.9776 | 0.9971 | 0.9547 | 0.9968 | 1.0368 | 1.0026 | 0.9923 | 0.9977 | 1.0529 | 1.0782 | 1.0485 |
| 3-hydroxycotinine glucuronide | 1.2361 | 0.9995 | 0.5818 | 1.1421 | 0.6707 | 1.1180 | 0.8292 | 1.2404 | 1.1387 | 1.1845 | 1.2481 | 1.1934 | 1.0403 | 1.0300 | 0.7672 | 1.2426 | 1.1327 | 1.0807 | 1.0755 | 1.1059 | 0.6671 | 1.0945 | 0.9434 | 1.2441 |
| 3-hydroxyhexanoate | 1.0550 | 1.0614 | 1.0557 | 1.0516 | 1.0312 | 1.0237 | 1.0673 | 1.0415 | 1.0159 | 0.9977 | 1.0123 | 1.0296 | 1.0039 | 1.0499 | 1.0026 | 1.0433 | 0.9252 | 0.8786 | 0.9139 | 0.9124 | 0.8693 | 0.9799 | 0.9788 | 0.9061 |
| 3-hydroxyhippurate | 0.9975 | 0.9716 | 1.0114 | 0.9804 | 0.9634 | 0.9758 | 1.0669 | 0.9922 | 0.9656 | 0.9823 | 0.9907 | 1.0071 | 0.9654 | 0.9854 | 0.9745 | 1.0033 | 0.9842 | 0.9976 | 1.0003 | 0.9757 | 0.9505 | 0.9866 | 1.0699 | 0.9903 |
| 3-hydroxyindolin-2-one | 0.8667 | 0.9269 | 0.9167 | 0.7036 | 0.9150 | 0.8596 | 1.0973 | 0.7044 | 0.7728 | 0.9360 | 0.9042 | 0.8179 | 0.7769 | 0.8740 | 0.8946 | 0.8417 | 1.1419 | 1.3134 | 1.3282 | 1.0179 | 1.2043 | 1.2585 | 1.3303 | 1.0925 |
| 3-hydroxyindolin-2-one sulfate | 0.9081 | 1.0069 | 1.0731 | 0.9907 | 0.9959 | 0.9754 | 1.0517 | 1.0071 | 0.9452 | 1.0128 | 1.0387 | 0.9006 | 0.9194 | 0.9660 | 0.9905 | 0.9945 | 1.0094 | 0.9954 | 0.9469 | 0.9775 | 1.0058 | 1.0114 | 1.0895 | 1.0459 |
| 3-hydroxyphenylacetate sulfate | 1.0249 | 1.0020 | 1.0007 | 0.9490 | 0.9780 | 0.9127 | 1.0107 | 0.9352 | 1.0026 | 1.1150 | 1.0114 | 0.9636 | 1.0660 | 0.9927 | 0.9957 | 1.0433 | 1.0074 | 1.0014 | 1.0031 | 1.0231 | 0.9350 | 1.0387 | 1.0148 | 1.0117 |
| 3-hydroxypyridine sulfate | 0.9726 | 0.9570 | 0.9791 | 0.9334 | 0.9375 | 0.9186 | 1.2154 | 0.9653 | 0.9582 | 0.9131 | 0.9868 | 0.9660 | 0.9323 | 0.9543 | 0.9508 | 0.9166 | 0.9455 | 0.9598 | 0.9706 | 0.9569 | 0.9280 | 0.9672 | 1.1975 | 0.9845 |
| 3-indoxyl sulfate | 0.9811 | 0.9771 | 1.0115 | 0.9821 | 0.9549 | 0.9807 | 1.0448 | 1.0070 | 0.9717 | 0.9985 | 1.0148 | 0.9967 | 0.9527 | 1.0158 | 0.9742 | 0.9932 | 1.0015 | 0.9861 | 0.9626 | 0.9847 | 0.9828 | 0.9851 | 1.0659 | 1.0155 |
| 3-methoxycatechol sulfate (1) | 0.9530 | 0.9644 | 0.9647 | 0.9953 | 0.9447 | 0.9733 | 1.1457 | 0.9688 | 0.9646 | 0.9277 | 0.9556 | 0.9891 | 0.9819 | 0.9594 | 0.9314 | 1.0145 | 0.9677 | 1.0105 | 0.9792 | 0.9696 | 0.9232 | 0.9466 | 1.1516 | 0.9377 |
| 3-methoxycatechol sulfate (2) | 0.9468 | 0.9094 | 0.9878 | 0.9394 | 0.9405 | 0.8867 | 1.2402 | 0.9643 | 0.8857 | 0.9667 | 0.9874 | 0.9147 | 0.8351 | 0.9707 | 0.9278 | 0.9291 | 0.9812 | 0.9202 | 0.8878 | 0.9564 | 0.9614 | 0.9916 | 1.2752 | 1.0248 |
| 3-methoxytyramine sulfate | 1.0647 | 0.9264 | 0.9506 | 0.9471 | 1.0001 | 0.9808 | 1.0876 | 1.0328 | 0.9867 | 0.9475 | 0.9469 | 1.0047 | 1.0198 | 0.9792 | 0.9477 | 0.9036 | 1.0324 | 0.9753 | 1.0629 | 1.0076 | 0.9579 | 0.9495 | 1.0905 | 0.9344 |
| 3-methyl-2-oxovalerate | 1.0145 | 0.9773 | 1.0313 | 1.0336 | 0.9604 | 1.0330 | 1.0752 | 0.9885 | 1.0160 | 1.0496 | 1.0765 | 1.0661 | 1.0398 | 1.0602 | 1.0373 | 1.0736 | 0.8972 | 0.8971 | 0.9266 | 0.9042 | 0.8598 | 0.8960 | 0.9920 | 0.9186 |
| 3-methyl catechol sulfate (1) | 0.9883 | 0.9738 | 1.0202 | 0.9782 | 0.9784 | 0.9586 | 1.0798 | 0.9947 | 0.9974 | 0.9545 | 1.0037 | 0.9965 | 0.9621 | 0.9779 | 0.9772 | 0.9663 | 0.9735 | 0.9692 | 0.9753 | 0.9780 | 0.9475 | 0.9784 | 1.0869 | 1.0205 |
| 3-methyl catechol sulfate (2) | 1.0100 | 0.9913 | 0.9806 | 0.9627 | 0.9563 | 0.9551 | 1.1329 | 1.0034 | 0.9672 | 0.9097 | 0.9684 | 1.0050 | 0.9573 | 0.9846 | 0.9775 | 0.9120 | 0.9700 | 0.9546 | 0.9850 | 0.9583 | 0.9228 | 0.9797 | 1.1268 | 1.0058 |
| 3-methylhistidine | 0.9250 | 0.8751 | 0.9314 | 0.8901 | 0.9031 | 0.8719 | 1.4520 | 0.8856 | 0.9041 | 0.8868 | 0.8844 | 0.9126 | 0.9320 | 0.9233 | 0.8673 | 0.8776 | 0.9098 | 0.9097 | 0.9145 | 0.8717 | 0.8796 | 0.8506 | 1.4697 | 0.8868 |
| 3-methylurate* | 0.9667 | 0.9822 | 1.0335 | 0.9927 | 0.9959 | 0.9866 | 1.0782 | 0.9641 | 1.0060 | 0.9301 | 0.9938 | 0.9850 | 1.0181 | 0.9882 | 0.9624 | 0.9892 | 0.9137 | 1.0196 | 0.9626 | 0.9875 | 0.9571 | 0.9827 | 1.0678 | 1.0045 |
| 3-methylxanthine | 1.0041 | 1.0175 | 1.0083 | 1.0170 | 0.9691 | 1.0149 | 1.1101 | 1.0234 | 0.9921 | 0.9608 | 0.9686 | 0.9716 | 0.9777 | 0.9679 | 0.9240 | 0.9717 | 0.9598 | 0.9814 | 0.9706 | 0.9855 | 0.9519 | 0.9619 | 1.0743 | 0.9487 |
| 3-(N-acetyl-L-cystein-S-yl) acetaminophen | 0.6105 | 0.5671 | 0.5771 | 0.5578 | 0.5911 | 0.6106 | 2.7190 | 0.5131 | 0.5713 | 0.5138 | 0.5724 | 0.5367 | 0.4936 | 0.5460 | 0.5593 | 0.5664 | 0.5141 | 0.5150 | 0.5191 | 0.5196 | 0.5148 | 0.5516 | 2.8718 | 0.6106 |
| 4-acetamidobenzoate | 1.0987 | 1.0334 | 1.0993 | 1.0988 | 0.9571 | 1.0864 | 1.0428 | 1.0523 | 1.0831 | 0.9630 | 0.9085 | 1.0026 | 0.8478 | 0.8501 | 0.9203 | 1.1383 | 0.9898 | 1.1210 | 0.9102 | 1.0028 | 0.9064 | 0.9728 | 0.9472 | 0.9913 |
| 4-acetamidophenol | 0.4052 | 0.3761 | 0.4202 | 0.3861 | 0.5741 | 0.4278 | 2.7894 | 0.3493 | 0.5435 | 0.5156 | 0.3888 | 0.4145 | 0.4306 | 0.4338 | 0.4313 | 0.3055 | 0.8512 | 0.4418 | 0.5286 | 0.5894 | 0.4979 | 0.8204 | 2.5687 | 0.3429 |
| 4-acetamidophenylglucuronide | 0.4142 | 0.4659 | 0.4693 | 0.4344 | 0.4839 | 0.4075 | 3.1959 | 0.4020 | 0.4278 | 0.4497 | 0.5052 | 0.4781 | 0.4428 | 0.3970 | 0.4889 | 0.4852 | 0.4863 | 0.4163 | 0.4199 | 0.5001 | 0.4704 | 0.4153 | 3.3834 | 0.4379 |
| 4-acetaminophen sulfate | 0.6590 | 0.7218 | 0.7252 | 0.6998 | 0.6343 | 0.6496 | 2.2762 | 0.6959 | 0.6839 | 0.7157 | 0.7209 | 0.7143 | 0.6300 | 0.7033 | 0.6915 | 0.7212 | 0.6541 | 0.6523 | 0.6720 | 0.6818 | 0.6785 | 0.6714 | 2.3514 | 0.7442 |
| 4-acetylphenol sulfate | 0.9942 | 0.9950 | 1.0282 | 0.9867 | 0.9863 | 0.9776 | 1.0332 | 1.0017 | 1.0124 | 0.9846 | 0.9920 | 0.9924 | 0.9640 | 0.9908 | 0.9942 | 0.9790 | 1.0203 | 0.9856 | 0.9888 | 0.9844 | 0.9568 | 0.9892 | 1.0478 | 0.9953 |
| 4-allylphenol sulfate | 0.9777 | 0.9852 | 1.0144 | 0.9979 | 0.9752 | 1.0039 | 1.0958 | 0.9976 | 0.9501 | 0.9784 | 0.9561 | 0.9770 | 0.9592 | 1.0088 | 0.9448 | 0.9781 | 1.0080 | 0.9742 | 0.9471 | 0.9572 | 0.9530 | 0.9736 | 1.1194 | 0.9601 |
| 4-aminophenol sulfate (2) | 1.2036 | 1.3265 | 1.2012 | 1.2018 | 1.2766 | 1.1075 | 0.5469 | 1.0911 | 1.3178 | 1.3551 | 1.4240 | 1.2337 | 1.3447 | 1.2772 | 1.3571 | 1.3586 | 1.0521 | 0.9835 | 1.6260 | 1.2324 | 1.1144 | 0.9499 | 0.4986 | 1.1050 |
| 4-ethylphenol glucuronide | 0.9579 | 1.0105 | 1.0023 | 0.9966 | 0.9360 | 1.0114 | 0.9961 | 1.0329 | 1.0242 | 0.9923 | 1.0100 | 1.0015 | 1.0087 | 1.0104 | 1.0280 | 1.0240 | 0.9695 | 1.0243 | 0.9520 | 0.9467 | 0.9726 | 0.9750 | 1.0337 | 1.0512 |
| 4-ethylphenylsulfate | 1.0639 | 0.9749 | 1.0050 | 0.9906 | 0.9639 | 0.9857 | 1.0349 | 0.9805 | 0.9898 | 0.9780 | 0.9726 | 1.0366 | 0.9790 | 0.9858 | 0.9751 | 0.9736 | 1.0101 | 1.0033 | 0.9935 | 0.9837 | 0.9763 | 1.0010 | 1.0338 | 0.9926 |
| 4-hydroxybenzoate | 0.9665 | 0.9620 | 0.9714 | 0.9627 | 0.9704 | 0.9382 | 1.0805 | 1.0142 | 1.1223 | 1.0520 | 1.0161 | 1.0520 | 1.0553 | 1.0419 | 0.9684 | 1.0025 | 0.9466 | 0.9670 | 0.9038 | 0.9535 | 0.9170 | 0.8714 | 1.0709 | 0.9538 |
| 4-hydroxycinnamate sulfate | 0.9832 | 0.9018 | 1.0532 | 0.9136 | 0.9305 | 0.9060 | 1.0154 | 0.8556 | 1.0559 | 1.0557 | 0.9540 | 1.0616 | 0.9469 | 0.9409 | 0.9621 | 0.9800 | 1.1744 | 0.8740 | 1.0421 | 1.1010 | 0.8951 | 1.1638 | 1.0707 | 1.0571 |
| 4-hydroxycoumarin | 0.9958 | 1.0472 | 0.8589 | 0.8956 | 0.7979 | 0.8812 | 0.8965 | 1.0297 | 1.2761 | 1.1532 | 1.1995 | 1.1462 | 1.1028 | 1.0478 | 1.2061 | 1.2237 | 1.0667 | 0.8593 | 0.9764 | 0.9771 | 0.8753 | 0.9211 | 0.8985 | 0.8475 |
| 4-hydroxyhippurate | 0.9279 | 0.9721 | 0.9835 | 0.9747 | 0.9539 | 0.9445 | 1.1312 | 0.9346 | 0.9798 | 0.9918 | 0.9663 | 1.0110 | 0.9310 | 0.9445 | 0.9637 | 0.9899 | 0.9504 | 0.9957 | 0.9326 | 0.9589 | 0.9915 | 0.9513 | 1.1517 | 0.9935 |
| 4-hydroxymandelate | 0.8979 | 0.9749 | 0.9847 | 0.9640 | 0.9588 | 0.9581 | 1.0218 | 0.9204 | 0.9869 | 1.0074 | 0.9742 | 0.9452 | 0.9455 | 0.9325 | 0.9791 | 0.9400 | 1.0881 | 1.0532 | 1.0318 | 1.0743 | 0.9791 | 1.0496 | 1.0689 | 1.1084 |
| 4-hydroxyphenylacetate | 0.9940 | 0.9961 | 0.9933 | 0.9679 | 0.9736 | 0.9744 | 1.0742 | 0.9885 | 0.9980 | 0.9927 | 0.9935 | 1.0072 | 0.9623 | 1.0146 | 0.9570 | 0.9735 | 0.9972 | 0.9911 | 0.9980 | 0.9800 | 0.9600 | 0.9826 | 1.0581 | 0.9955 |
| 4-hydroxyphenylacetylglutamine | 0.9974 | 0.9860 | 1.0126 | 0.9882 | 0.9873 | 0.9724 | 1.0626 | 0.9931 | 0.9765 | 0.9792 | 0.9846 | 0.9948 | 0.9536 | 0.9774 | 0.9605 | 0.9963 | 0.9974 | 0.9902 | 0.9859 | 0.9865 | 0.9780 | 0.9847 | 1.0660 | 1.0016 |
| 4-hydroxyphenylpyruvate | 1.2306 | 1.2740 | 1.3610 | 1.0958 | 1.2106 | 1.2422 | 1.3256 | 1.1932 | 0.8609 | 0.8999 | 0.9033 | 0.8276 | 0.7811 | 0.9115 | 0.8885 | 0.9698 | 0.8113 | 0.8422 | 0.8419 | 0.7583 | 0.7727 | 0.8119 | 1.0019 | 0.8986 |
| 4^-hydroxypropiophenone sulfate | 0.9484 | 0.9962 | 1.0111 | 0.9806 | 0.9344 | 0.9733 | 1.1611 | 0.9471 | 0.9841 | 0.9238 | 0.9680 | 0.9646 | 0.9498 | 0.9648 | 0.9759 | 0.9716 | 0.9118 | 0.9635 | 0.9264 | 0.9343 | 0.9263 | 0.9828 | 1.1765 | 0.9882 |
| 4-methyl-2-oxopentanoate | 1.2283 | 0.9458 | 0.9985 | 1.0654 | 0.9424 | 0.9857 | 1.0450 | 0.9239 | 1.0073 | 1.0368 | 1.0467 | 0.9811 | 0.9934 | 1.0552 | 1.0501 | 1.0293 | 0.9024 | 0.9712 | 0.9438 | 0.9282 | 0.9205 | 0.9538 | 0.9873 | 0.9462 |
| 4-methylcatechol sulfate | 0.9742 | 0.9621 | 0.9926 | 0.9855 | 0.9657 | 0.9779 | 1.1108 | 0.9776 | 0.9562 | 0.9596 | 0.9764 | 0.9758 | 0.9604 | 0.9937 | 0.9561 | 0.9658 | 1.0127 | 0.9692 | 0.9772 | 0.9763 | 0.9375 | 0.9854 | 1.1223 | 0.9687 |
| 4-octenedioate | 0.9089 | 0.9308 | 0.9695 | 0.9072 | 0.8577 | 0.9300 | 1.1705 | 0.9623 | 0.9219 | 0.9507 | 0.9470 | 0.9275 | 0.9358 | 0.9374 | 0.9724 | 1.0283 | 0.9904 | 0.9874 | 0.9564 | 0.9840 | 0.9642 | 0.9844 | 1.2436 | 1.0124 |
| 4-vinylguaiacol sulfate | 1.1563 | 0.8731 | 1.0523 | 0.9599 | 1.0279 | 0.9824 | 1.0867 | 0.9561 | 0.9775 | 0.9485 | 0.9634 | 0.9994 | 0.9478 | 1.0702 | 0.9523 | 0.8607 | 1.0093 | 0.9860 | 1.0832 | 0.9530 | 0.9202 | 1.0157 | 1.0456 | 1.0432 |
| 4-vinylphenol sulfate | 0.8566 | 1.0657 | 1.0335 | 0.9446 | 0.8934 | 0.8001 | 1.1152 | 1.0271 | 0.9813 | 1.1285 | 1.0640 | 0.9040 | 0.8632 | 1.0372 | 0.9711 | 1.1235 | 0.8475 | 0.9187 | 0.7589 | 0.9442 | 1.0011 | 0.9626 | 1.1969 | 1.1730 |
| 5,6-dihydrothymine | 1.0269 | 0.9599 | 1.0926 | 0.9510 | 0.9355 | 0.9733 | 1.0471 | 1.0004 | 1.0816 | 0.9784 | 1.0505 | 1.0109 | 0.9155 | 1.0164 | 0.9712 | 0.9849 | 1.0440 | 0.9778 | 0.9637 | 0.9635 | 0.9498 | 1.0103 | 1.0608 | 0.9251 |
| 5,6-dihydrouridine | 0.9667 | 0.9634 | 0.9933 | 0.9764 | 0.9686 | 0.9507 | 1.0417 | 0.9478 | 1.0028 | 1.0037 | 0.9927 | 1.0015 | 1.0006 | 1.0044 | 0.9882 | 0.9926 | 0.9827 | 1.0231 | 0.9921 | 0.9954 | 0.9959 | 0.9780 | 1.0617 | 1.0079 |
| 5alpha-androstan-3beta,17alpha-diol disulfate | 1.0018 | 1.0794 | 1.1761 | 1.0720 | 1.0936 | 0.9296 | 0.9229 | 0.8943 | 1.1168 | 1.2311 | 0.9803 | 0.9202 | 1.0399 | 1.0754 | 1.0008 | 0.9508 | 1.0011 | 1.0906 | 1.1191 | 0.9934 | 0.9225 | 0.9550 | 0.9177 | 1.0225 |
| 5alpha-androstan-3beta,17beta-diol disulfate | 0.9739 | 0.9997 | 1.0123 | 1.0097 | 1.0915 | 0.9824 | 0.9420 | 1.0134 | 1.0054 | 1.0317 | 1.0132 | 0.9028 | 1.0047 | 1.1582 | 1.0092 | 0.9941 | 1.0256 | 1.1145 | 1.1148 | 1.0207 | 0.8982 | 1.1207 | 0.9396 | 1.0042 |
| 5alpha-pregnan-3(alpha or beta),20beta-diol disulfate | 0.9606 | 0.8176 | 0.7891 | 0.8828 | 0.9048 | 0.8096 | 0.9526 | 0.9632 | 1.2513 | 1.2409 | 1.4224 | 1.1532 | 1.1666 | 1.1036 | 1.2072 | 1.4595 | 1.1135 | 0.9178 | 1.0441 | 1.0065 | 0.8814 | 1.0441 | 0.9509 | 1.0618 |
| 5alpha-pregnan-3beta,20alpha-diol disulfate | 0.9644 | 0.9663 | 0.9923 | 0.9911 | 0.9767 | 0.9688 | 1.1563 | 0.9942 | 0.9147 | 0.9759 | 0.9035 | 0.9226 | 0.9423 | 1.0833 | 0.8878 | 0.9299 | 0.9885 | 1.0385 | 1.0115 | 0.9536 | 0.9433 | 1.0178 | 1.1311 | 0.9820 |
| 5alpha-pregnan-3beta,20beta-diol monosulfate (1) | 0.6516 | 0.8568 | 1.0336 | 1.0313 | 0.9897 | 1.0257 | 1.0261 | 1.1697 | 0.9986 | 1.0092 | 1.0880 | 0.9252 | 1.1335 | 1.1078 | 0.9922 | 1.0354 | 0.9605 | 1.0580 | 1.0348 | 0.9611 | 0.9721 | 0.9690 | 1.0014 | 1.1672 |
| 5-bromotryptophan | 0.9766 | 0.9585 | 1.0822 | 1.0372 | 0.9732 | 0.9609 | 1.0687 | 0.9486 | 0.9484 | 0.9618 | 0.9906 | 0.9768 | 0.9638 | 0.9607 | 0.9401 | 1.0076 | 1.0119 | 0.9940 | 0.9361 | 0.9740 | 0.9518 | 1.0084 | 1.1019 | 0.9996 |
| 5-hydroxyhexanoate | 0.9769 | 0.9573 | 0.9539 | 0.9388 | 0.9217 | 0.9368 | 1.2937 | 0.9880 | 0.9511 | 0.9221 | 0.9851 | 0.9602 | 0.9579 | 0.9687 | 0.9225 | 0.9113 | 0.9133 | 0.9103 | 0.9318 | 0.8960 | 0.8470 | 0.9171 | 1.2680 | 0.9295 |
| 5-hydroxyindoleacetate | 1.0125 | 0.9669 | 0.9748 | 0.9627 | 0.9516 | 0.9729 | 1.1326 | 0.9672 | 0.9651 | 0.9573 | 0.9647 | 0.9796 | 0.9794 | 0.9930 | 0.9404 | 0.9669 | 0.9927 | 1.0139 | 1.0073 | 0.9699 | 0.9156 | 0.9537 | 1.1291 | 0.9542 |
| 5-hydroxyindole sulfate | 0.9616 | 0.8782 | 0.9805 | 0.9646 | 0.9264 | 0.9745 | 1.1938 | 0.9288 | 0.8760 | 0.9841 | 0.9478 | 0.9682 | 0.9803 | 1.0020 | 0.9633 | 0.9498 | 1.0068 | 0.9752 | 0.9896 | 0.9443 | 0.9256 | 0.9641 | 1.2118 | 0.8623 |
| 5-hydroxymethyl-2-furoic acid | 0.9849 | 1.0122 | 1.0413 | 0.9472 | 0.9901 | 0.9064 | 1.1490 | 0.9806 | 1.0403 | 0.9336 | 0.9931 | 0.9829 | 0.9543 | 0.9407 | 0.9638 | 0.9321 | 0.9790 | 0.9673 | 0.9245 | 0.9376 | 0.9437 | 0.9369 | 1.1368 | 1.0189 |
| 5-methyltetrahydrofolate (5MeTHF) | 1.2514 | 0.8001 | 0.9628 | 0.8309 | 1.3741 | 1.0614 | 0.7063 | 0.9768 | 0.9125 | 1.3296 | 1.2077 | 0.9818 | 1.2826 | 1.2411 | 1.1247 | 1.1541 | 1.0651 | 1.5855 | 1.2013 | 1.1293 | 1.1168 | 1.5213 | 0.7863 | 1.1832 |
| 5-oxoproline | 1.0538 | 1.0571 | 1.0541 | 1.0766 | 1.0083 | 1.0519 | 1.0659 | 1.0810 | 0.9162 | 0.9398 | 0.9537 | 0.9224 | 0.9032 | 0.9223 | 0.9259 | 0.9568 | 0.9825 | 0.9907 | 0.9658 | 0.9957 | 0.9810 | 0.9722 | 1.0455 | 1.0339 |
| 6-hydroxyindole sulfate | 0.9953 | 0.9687 | 1.0131 | 0.9887 | 0.9716 | 0.9993 | 1.0461 | 0.9988 | 0.9893 | 0.9964 | 0.9801 | 1.0076 | 0.9905 | 0.9998 | 0.9845 | 0.9901 | 0.9812 | 0.9913 | 0.9911 | 0.9784 | 0.9738 | 0.9699 | 1.0540 | 0.9809 |
| 6-oxopiperidine-2-carboxylate | 1.0916 | 0.9688 | 1.1095 | 0.9746 | 1.0487 | 0.9733 | 1.0344 | 1.0074 | 0.9489 | 1.0519 | 1.0311 | 0.9993 | 1.0390 | 1.1168 | 0.9590 | 1.0005 | 0.9843 | 1.0046 | 0.9844 | 0.9380 | 0.9855 | 0.9342 | 0.9593 | 0.9993 |
| 7-hydroxyindole sulfate | 0.9826 | 0.9560 | 1.0338 | 0.9442 | 0.9672 | 1.0741 | 1.0233 | 1.0452 | 0.9985 | 1.0231 | 0.9482 | 0.9744 | 0.9639 | 0.9718 | 0.9308 | 0.9268 | 1.1521 | 1.1155 | 0.9703 | 1.0081 | 0.9296 | 1.0417 | 1.0529 | 1.0291 |
| 7-ketodeoxycholate | 1.0615 | 1.1727 | 1.0609 | 1.0103 | 1.0520 | 1.0310 | 0.9516 | 1.0793 | 1.0624 | 1.0743 | 0.9993 | 0.9533 | 0.9485 | 0.9789 | 1.0068 | 0.9939 | 1.0020 | 0.9757 | 1.0094 | 1.0540 | 0.9559 | 1.0083 | 0.9147 | 1.0273 |
| abscisate | 0.8710 | 0.8552 | 0.9597 | 0.9160 | 0.8178 | 0.8004 | 1.4842 | 0.8424 | 0.8227 | 0.9000 | 0.8356 | 0.8015 | 0.8107 | 0.8696 | 0.9197 | 0.9829 | 0.8784 | 0.8368 | 0.8348 | 0.8415 | 0.8309 | 0.8561 | 1.5112 | 1.0115 |
| acesulfame | 1.0394 | 0.9944 | 1.0446 | 1.0081 | 0.9941 | 0.9856 | 0.9558 | 1.0256 | 1.0229 | 1.0074 | 1.0318 | 1.0206 | 0.9753 | 1.0338 | 1.0054 | 1.0232 | 1.0340 | 1.0340 | 1.0423 | 1.0062 | 0.9915 | 1.0043 | 0.9525 | 0.9436 |
| acetylsalicylate | 1.4269 | 1.4396 | 0.7585 | 0.8396 | 1.4148 | 1.3237 | 0.9357 | 1.3420 | 1.2992 | 1.4192 | 1.4509 | 1.2919 | 0.6833 | 1.5541 | 1.3868 | 1.4531 | 1.5784 | 1.4271 | 1.4722 | 0.6944 | 1.5527 | 1.4779 | 0.8618 | 0.5167 |
| acisoga | 1.0401 | 0.9145 | 0.9591 | 0.9806 | 0.9901 | 0.9931 | 1.1013 | 1.0055 | 0.9720 | 0.9272 | 1.0003 | 0.9915 | 0.9723 | 1.0306 | 0.9566 | 0.9698 | 1.0126 | 0.9817 | 1.0234 | 0.9695 | 0.9269 | 0.9803 | 1.0746 | 0.9765 |
| adenosine 3^,5^-cyclic monophosphate (cAMP) | 0.9578 | 0.9860 | 1.0298 | 1.0162 | 0.9943 | 0.9770 | 1.0353 | 0.9904 | 0.9557 | 0.9972 | 1.0160 | 0.9846 | 0.9456 | 0.9718 | 0.9788 | 1.0388 | 0.9761 | 0.9830 | 0.9191 | 0.9779 | 0.9718 | 0.9789 | 1.0797 | 1.0507 |
| alpha-CEHC | 1.3160 | 1.3567 | 1.3725 | 1.2164 | 1.0569 | 1.0168 | 1.0994 | 1.3202 | 1.0452 | 1.0692 | 0.8423 | 0.7947 | 0.7077 | 1.1525 | 0.8662 | 0.8368 | 0.8683 | 0.5943 | 1.1299 | 0.8015 | 0.7025 | 0.7219 | 0.6807 | 0.9381 |
| alpha-CEHC glucuronide* | 0.9606 | 0.9864 | 0.9910 | 0.9886 | 0.9874 | 0.9576 | 1.0655 | 0.9964 | 0.9694 | 0.9883 | 0.9665 | 0.9813 | 0.9506 | 0.9795 | 0.9757 | 1.0024 | 1.0466 | 1.0048 | 0.9685 | 1.0040 | 0.9485 | 1.0053 | 1.0689 | 0.9877 |
| alpha-CEHC sulfate | 1.1842 | 0.8093 | 0.9070 | 0.8741 | 1.1561 | 1.0145 | 1.2377 | 0.9216 | 1.0916 | 0.9620 | 0.7198 | 1.0385 | 1.0461 | 1.0121 | 0.9107 | 0.8052 | 1.1812 | 0.9052 | 1.2830 | 0.9845 | 0.7670 | 1.0022 | 1.0825 | 0.6557 |
| alpha-hydroxyisocaproate | 1.0708 | 1.0142 | 1.0502 | 1.0970 | 0.9317 | 1.2428 | 0.9185 | 0.9312 | 1.2007 | 0.8639 | 0.9890 | 1.0329 | 1.0510 | 1.0775 | 1.1222 | 1.0109 | 0.8333 | 0.8144 | 1.1528 | 0.8613 | 0.9395 | 1.1916 | 0.9001 | 1.0482 |
| androstenediol (3alpha, 17alpha) monosulfate (2) | 1.1192 | 1.0493 | 1.0797 | 1.1855 | 1.0790 | 1.0868 | 0.8159 | 1.0515 | 1.0011 | 1.1599 | 1.0828 | 1.0566 | 1.0288 | 1.1445 | 0.9303 | 1.0074 | 1.1150 | 0.9824 | 1.1039 | 1.0824 | 0.8495 | 1.0574 | 0.8114 | 1.0818 |
| androstenediol (3beta,17beta) disulfate (1) | 0.9786 | 0.9693 | 0.9596 | 0.9803 | 1.0092 | 0.9374 | 1.1938 | 1.0243 | 1.0094 | 0.9789 | 0.9067 | 0.8922 | 0.8772 | 0.9640 | 0.9238 | 0.9262 | 0.9775 | 0.9881 | 0.9873 | 0.9571 | 0.9155 | 0.9831 | 1.1968 | 0.9293 |
| androstenediol (3beta,17beta) disulfate (2) | 0.9942 | 1.0167 | 0.9007 | 0.9580 | 0.9435 | 0.9160 | 1.3418 | 0.9689 | 0.8821 | 0.9396 | 0.8330 | 0.8656 | 0.8947 | 0.8431 | 0.8366 | 0.9451 | 0.9833 | 0.9596 | 0.9222 | 0.9316 | 0.8548 | 0.9555 | 1.3554 | 0.9720 |
| androstenediol (3beta,17beta) monosulfate (1) | 0.8107 | 0.6999 | 0.7608 | 0.8051 | 0.6940 | 0.8030 | 1.9139 | 0.8150 | 0.7244 | 0.7852 | 0.7888 | 0.7787 | 0.7180 | 0.7352 | 0.7256 | 0.7102 | 0.8162 | 0.7380 | 0.7416 | 0.7375 | 0.7890 | 0.7041 | 2.1658 | 0.7664 |
| andro steroid monosulfate C19H28O6S (1)* | 1.0192 | 1.0334 | 1.0367 | 1.0259 | 1.0219 | 0.9859 | 1.1072 | 1.0210 | 0.9278 | 0.9891 | 0.9272 | 0.9256 | 0.9150 | 0.9982 | 0.9569 | 0.9714 | 0.9949 | 0.9769 | 0.9766 | 0.9559 | 0.9045 | 0.9603 | 1.1103 | 0.9591 |
| androsterone glucuronide | 1.0301 | 1.0053 | 1.0243 | 0.9858 | 0.9755 | 0.9433 | 1.1718 | 0.9644 | 0.9523 | 0.9751 | 0.9108 | 0.9295 | 0.9275 | 0.9745 | 0.9144 | 0.9303 | 0.9683 | 0.9428 | 1.0239 | 0.9521 | 0.9128 | 0.9836 | 1.1733 | 0.9563 |
| androsterone sulfate | 0.9815 | 0.9703 | 1.0424 | 1.0037 | 0.9638 | 0.9474 | 1.2332 | 1.0082 | 0.9778 | 0.9379 | 0.9169 | 0.9161 | 0.8960 | 0.9030 | 0.9043 | 0.8910 | 0.9532 | 0.9402 | 0.9804 | 0.9259 | 0.8774 | 0.9322 | 1.2341 | 0.9785 |
| anserine | 0.9350 | 0.9091 | 0.9147 | 0.8283 | 0.8889 | 0.8584 | 1.5379 | 0.8780 | 0.8985 | 0.7981 | 0.9132 | 0.8683 | 0.9908 | 0.8233 | 0.9514 | 0.8171 | 0.8832 | 0.9127 | 0.8316 | 0.8074 | 0.8920 | 0.9123 | 1.4163 | 1.0081 |
| azelate (C9-DC) | 0.9869 | 1.0200 | 1.0084 | 0.9600 | 0.9930 | 0.9458 | 1.0935 | 0.9522 | 0.9785 | 0.9951 | 1.0026 | 0.9741 | 0.9897 | 0.9793 | 0.9589 | 0.9436 | 1.0012 | 0.9843 | 0.9725 | 1.0086 | 0.9412 | 0.9761 | 1.0773 | 1.0139 |
| benzoate | 1.2638 | 0.6475 | 0.6956 | 1.2790 | 1.4169 | 0.9207 | 0.7691 | 0.8100 | 1.2112 | 1.2156 | 0.9920 | 1.5245 | 0.9122 | 1.8405 | 0.9877 | 1.0718 | 0.8589 | 0.5877 | 0.6245 | 0.9059 | 1.3820 | 0.4500 | 0.6923 | 0.9005 |
| beta-citrylglutamate | 1.0466 | 1.0259 | 1.0152 | 1.0043 | 0.9885 | 0.9739 | 1.0617 | 1.0229 | 0.9767 | 0.9732 | 0.9669 | 0.9823 | 0.9686 | 0.9784 | 0.9417 | 0.9674 | 0.9948 | 0.9888 | 0.9996 | 0.9807 | 0.9649 | 0.9591 | 1.0635 | 0.9951 |
| beta-hydroxyisovalerate | 1.1072 | 1.1231 | 1.0861 | 1.1172 | 1.0563 | 1.0424 | 1.0555 | 1.0975 | 1.0115 | 1.0322 | 1.0756 | 1.0324 | 1.0210 | 1.0624 | 1.0040 | 1.0623 | 0.8219 | 0.9051 | 0.8510 | 0.8887 | 0.8107 | 0.8855 | 0.9148 | 0.9527 |
| biopterin | 1.1578 | 0.8967 | 0.9747 | 0.8867 | 1.0344 | 0.9122 | 0.9729 | 0.9928 | 1.1567 | 0.9610 | 0.8126 | 1.0963 | 1.0770 | 1.0790 | 0.8683 | 0.8172 | 1.2194 | 1.0413 | 1.2097 | 1.1041 | 1.0051 | 1.0616 | 0.9640 | 0.8707 |
| carboxyibuprofen | 1.1430 | 1.1943 | 1.2936 | 1.1805 | 1.1536 | 1.1503 | 0.8438 | 1.1530 | 1.1177 | 1.0333 | 0.9852 | 1.0160 | 1.0653 | 1.0766 | 1.0556 | 0.9472 | 0.9667 | 1.0679 | 1.0843 | 0.9681 | 1.0086 | 1.0361 | 0.8533 | 1.0017 |
| catechol glucuronide | 0.9929 | 0.9869 | 0.9875 | 0.9588 | 0.9469 | 0.9754 | 1.0813 | 0.9954 | 0.9755 | 0.9417 | 1.0061 | 1.0076 | 0.9647 | 1.0138 | 0.9559 | 0.9881 | 1.0022 | 0.9907 | 0.9865 | 0.9703 | 1.0020 | 0.9815 | 1.0896 | 0.9643 |
| catechol sulfate | 0.9997 | 0.9888 | 1.0011 | 0.9787 | 0.9668 | 0.9841 | 1.0438 | 0.9877 | 0.9881 | 0.9709 | 0.9974 | 1.0058 | 0.9820 | 0.9846 | 0.9842 | 0.9967 | 1.0075 | 1.0052 | 1.0006 | 0.9891 | 0.9691 | 0.9941 | 1.0432 | 0.9988 |
| chlorogenate | 1.0220 | 0.9067 | 0.9625 | 0.8786 | 0.9265 | 0.8483 | 1.0403 | 0.9350 | 0.9690 | 1.0274 | 1.0125 | 0.9337 | 0.9419 | 1.0630 | 1.0262 | 0.9527 | 1.0229 | 1.0237 | 1.0184 | 0.9689 | 1.0884 | 1.1049 | 1.1338 | 1.0288 |
| cholate | 0.9816 | 1.1539 | 1.0317 | 1.1200 | 1.1330 | 1.0573 | 0.8843 | 1.0564 | 0.9952 | 1.0206 | 1.0076 | 1.1731 | 0.9509 | 1.1712 | 1.0276 | 1.0781 | 1.0132 | 0.9280 | 0.8975 | 1.0054 | 0.9012 | 0.9681 | 0.8707 | 0.9434 |
| cinnamoylglycine | 1.0193 | 0.9574 | 0.9312 | 0.8970 | 0.9274 | 0.9339 | 1.2137 | 0.9647 | 0.9803 | 0.9198 | 0.8717 | 1.0010 | 0.9705 | 0.9618 | 0.9373 | 0.8918 | 1.0069 | 0.9731 | 1.0191 | 0.9727 | 0.9151 | 0.9953 | 1.2027 | 0.8958 |
| citrate | 1.0112 | 1.0065 | 1.0306 | 1.0092 | 1.0022 | 1.0051 | 1.0792 | 1.0141 | 0.9630 | 0.9456 | 0.9728 | 0.9697 | 0.9533 | 0.9527 | 0.9387 | 0.9448 | 1.0009 | 0.9863 | 0.9904 | 0.9968 | 0.9844 | 0.9704 | 1.0741 | 0.9771 |
| cortisol | 0.9881 | 0.9598 | 0.9428 | 0.9100 | 0.9900 | 0.8975 | 1.0673 | 0.9289 | 1.0684 | 1.0216 | 1.0290 | 1.1178 | 0.9600 | 1.0221 | 0.9840 | 0.8901 | 1.0524 | 0.9646 | 0.9914 | 0.9738 | 0.9597 | 0.9436 | 1.0757 | 0.9985 |
| cortisol 21-glucuronide | 0.9647 | 1.0023 | 0.9734 | 0.9837 | 0.9674 | 0.9196 | 1.1232 | 0.9624 | 0.9387 | 0.9680 | 1.0268 | 0.9524 | 0.9577 | 1.0346 | 0.9855 | 0.9390 | 0.9577 | 0.9947 | 0.9438 | 0.9487 | 0.9621 | 0.9811 | 1.1420 | 0.9748 |
| cortisone | 0.9444 | 0.9790 | 1.0075 | 0.9787 | 0.9553 | 0.9266 | 1.0039 | 0.9415 | 1.0429 | 1.0724 | 1.0658 | 0.9902 | 0.9930 | 1.0258 | 1.0068 | 1.0296 | 0.9956 | 0.9676 | 0.9766 | 0.9936 | 0.9559 | 0.9916 | 1.0364 | 1.0693 |
| coumaroylquinate (2) | 1.0331 | 1.0062 | 0.9723 | 0.9467 | 0.9773 | 0.9068 | 1.0194 | 0.9494 | 1.0064 | 0.8492 | 0.9663 | 0.9709 | 0.9686 | 0.9815 | 1.0018 | 1.0140 | 0.9537 | 1.0012 | 1.0581 | 0.9313 | 1.0348 | 1.1130 | 1.1291 | 1.0219 |
| coumaroylquinate (4) | 0.9930 | 0.9989 | 0.9990 | 0.9851 | 1.0561 | 0.9387 | 1.0380 | 0.9484 | 1.0051 | 0.9324 | 0.9931 | 1.0221 | 1.0306 | 0.9971 | 1.0114 | 0.9361 | 0.9557 | 0.9870 | 0.9696 | 0.9525 | 0.9574 | 1.0123 | 1.0449 | 1.0562 |
| coumaroylquinate (5) | 1.1137 | 1.1701 | 1.0256 | 0.9753 | 1.0086 | 1.2116 | 0.9527 | 1.1837 | 0.9820 | 0.8817 | 0.9339 | 1.0823 | 1.0993 | 0.9648 | 0.9390 | 1.1905 | 0.7961 | 1.1589 | 0.8362 | 0.8487 | 1.0170 | 0.7994 | 1.0801 | 1.0444 |
| daidzein | 0.7512 | 0.8171 | 0.9149 | 1.3644 | 0.8833 | 1.0126 | 0.5736 | 0.9429 | 1.5815 | 0.9215 | 0.9589 | 1.9916 | 0.6319 | 1.0583 | 0.9479 | 0.7493 | 1.2213 | 1.1706 | 1.2104 | 1.5283 | 0.7652 | 1.0787 | 0.7645 | 0.6969 |
| daidzein sulfate (2) | 1.3515 | 1.0217 | 1.0425 | 1.2397 | 1.4705 | 1.0755 | 0.7833 | 1.0276 | 0.7265 | 1.1887 | 1.0031 | 0.9295 | 0.8704 | 1.3528 | 0.9190 | 0.9976 | 1.0721 | 1.2572 | 0.8143 | 1.1284 | 1.0755 | 1.0363 | 0.9573 | 1.0409 |
| dehydroascorbate | 0.2224 | 0.2029 | 0.2797 | 0.2200 | 0.1829 | 0.2061 | 1.2041 | 0.2190 | 1.4776 | 1.2141 | 0.9575 | 1.3139 | 1.3980 | 1.1638 | 1.2714 | 0.5863 | 0.7632 | 0.9468 | 0.9349 | 0.7342 | 0.8624 | 0.8559 | 2.1030 | 0.7517 |
| dehydroepiandrosterone glucuronide | 0.8100 | 1.1577 | 0.9704 | 1.0150 | 0.9786 | 0.9470 | 1.2025 | 0.9508 | 0.8999 | 0.8578 | 0.8386 | 0.9318 | 0.8662 | 1.0020 | 0.8470 | 0.9849 | 1.0743 | 0.9520 | 0.9075 | 0.8673 | 0.8744 | 0.9041 | 1.3949 | 0.9766 |
| dehydroisoandrosterone sulfate (DHEA-S) | 0.8412 | 0.8199 | 0.8699 | 0.8556 | 0.8033 | 0.8495 | 1.6562 | 0.8789 | 0.8540 | 0.8379 | 0.8191 | 0.8244 | 0.8353 | 0.8076 | 0.7885 | 0.7945 | 0.8556 | 0.8664 | 0.8666 | 0.8301 | 0.7968 | 0.7983 | 1.7933 | 0.8593 |
| deoxycholate | 0.9123 | 0.9972 | 0.9776 | 0.9747 | 1.2901 | 1.0891 | 0.8004 | 1.0423 | 0.9856 | 1.1232 | 1.6271 | 1.2534 | 1.1382 | 1.2716 | 1.0182 | 0.9958 | 0.8521 | 1.1042 | 1.0672 | 1.1354 | 0.8625 | 1.5463 | 0.7179 | 0.9224 |
| desmethylnaproxen sulfate | 1.2785 | 1.2011 | 1.3059 | 1.0038 | 0.9236 | 1.2579 | 0.5979 | 1.5722 | 1.1311 | 1.1512 | 1.5991 | 1.4028 | 1.1473 | 1.2536 | 1.0258 | 1.6575 | 0.8259 | 1.2128 | 0.8874 | 1.3928 | 1.0677 | 1.2308 | 0.7032 | 1.5867 |
| diglycerol | 0.8321 | 0.8024 | 0.9399 | 0.9412 | 1.2246 | 0.8347 | 0.8119 | 0.8250 | 1.3402 | 1.1934 | 1.3029 | 1.1262 | 0.8700 | 1.0464 | 1.1957 | 1.2882 | 1.2358 | 1.0906 | 1.0887 | 1.2241 | 1.0745 | 1.3508 | 0.8267 | 1.2970 |
| dihydrobiopterin | 1.0008 | 1.0844 | 1.0570 | 0.9807 | 1.0341 | 1.0374 | 1.1265 | 0.9909 | 1.0199 | 1.0308 | 1.1014 | 1.0320 | 1.1034 | 1.0595 | 1.0130 | 1.0125 | 0.8339 | 0.8696 | 0.8081 | 0.8577 | 0.9224 | 0.8866 | 1.0406 | 0.8789 |
| dihydroferulic acid | 0.9804 | 1.0096 | 1.0006 | 1.0258 | 1.0299 | 0.9431 | 1.0592 | 0.9861 | 1.0463 | 0.9837 | 0.9845 | 1.0755 | 0.9257 | 0.9572 | 0.9896 | 0.9551 | 1.0229 | 0.9501 | 1.0284 | 0.9554 | 0.9748 | 0.9393 | 1.0267 | 0.9568 |
| dopamine 3-O-sulfate | 0.9973 | 0.9623 | 1.0049 | 0.9891 | 1.0428 | 0.9599 | 1.1017 | 1.0205 | 0.9696 | 0.9875 | 0.9579 | 0.9730 | 1.0019 | 1.0048 | 0.9285 | 0.9601 | 1.0490 | 0.9389 | 0.9769 | 0.9955 | 0.9269 | 0.9654 | 1.0772 | 0.9644 |
| dopamine 4-sulfate | 1.0656 | 0.9431 | 0.9701 | 0.9595 | 1.0092 | 1.0115 | 1.0938 | 0.9795 | 0.9373 | 0.8909 | 0.9345 | 0.9501 | 0.9877 | 0.9196 | 0.8998 | 0.8937 | 1.0842 | 1.0675 | 1.0601 | 1.0358 | 0.9607 | 1.0017 | 1.1161 | 0.9629 |
| enterolactone | 0.6052 | 0.5275 | 0.5686 | 0.7310 | 0.5540 | 0.5520 | 2.0653 | 0.5613 | 0.8009 | 0.6222 | 0.4982 | 0.8200 | 0.6760 | 0.6080 | 0.6004 | 0.6521 | 0.8119 | 0.7546 | 0.7415 | 0.8938 | 0.6728 | 0.6178 | 1.8905 | 0.7348 |
| epiandrosterone glucuronide | 0.9204 | 0.9895 | 0.9864 | 0.9695 | 0.9238 | 0.9218 | 1.2789 | 0.8971 | 0.8987 | 0.9467 | 0.9401 | 0.8883 | 0.8964 | 0.9303 | 0.9151 | 0.9213 | 0.9317 | 0.9606 | 0.9355 | 0.8935 | 0.9068 | 0.9783 | 1.3216 | 0.9799 |
| epiandrosterone sulfate | 0.9019 | 0.9031 | 0.9457 | 0.9327 | 0.8823 | 0.8586 | 1.5219 | 0.9233 | 0.8336 | 0.8661 | 0.8979 | 0.8431 | 0.7890 | 0.8266 | 0.8181 | 0.8781 | 0.8804 | 0.8899 | 0.9240 | 0.8799 | 0.8313 | 0.8718 | 1.5458 | 0.9460 |
| equol glucuronide | 1.0490 | 1.0886 | 0.9311 | 1.0806 | 0.9149 | 0.9369 | 0.9412 | 0.9992 | 1.0821 | 0.9133 | 0.9454 | 1.0013 | 1.0208 | 0.9931 | 0.9710 | 0.9180 | 1.0512 | 1.1100 | 0.9516 | 1.0241 | 1.0000 | 1.0564 | 1.0315 | 1.0755 |
| ethyl glucuronide | 1.0930 | 0.9601 | 0.9732 | 0.9490 | 1.0804 | 0.8530 | 1.1838 | 1.0342 | 0.9064 | 0.9298 | 1.0597 | 0.9394 | 0.9945 | 0.9709 | 1.0106 | 0.8999 | 0.9865 | 1.0814 | 0.9724 | 0.8975 | 0.8439 | 0.9644 | 1.1284 | 0.9561 |
| etiocholanolone glucuronide | 0.9807 | 1.0385 | 1.0291 | 1.0173 | 0.9701 | 0.9518 | 1.1650 | 0.9641 | 0.9470 | 0.9564 | 0.9167 | 0.9001 | 0.9583 | 0.9466 | 0.9132 | 0.9438 | 0.9484 | 1.0004 | 1.0118 | 0.9029 | 0.9102 | 0.9759 | 1.1882 | 1.0161 |
| eugenol sulfate | 0.9700 | 0.9513 | 1.0155 | 1.0005 | 0.9581 | 1.0461 | 1.0148 | 1.0119 | 1.0077 | 1.0063 | 0.9844 | 1.0013 | 0.9831 | 1.0056 | 0.9664 | 0.9647 | 1.0341 | 1.0227 | 1.0299 | 0.9890 | 0.9867 | 0.9651 | 1.0174 | 1.0460 |
| ferulate | 0.9266 | 0.9863 | 1.2053 | 0.9698 | 0.9060 | 1.0886 | 1.0561 | 0.9742 | 1.1510 | 0.9729 | 0.9334 | 1.0602 | 1.0104 | 0.9299 | 0.9529 | 1.0175 | 0.9153 | 0.9982 | 1.0998 | 1.0263 | 0.8518 | 1.0306 | 0.9830 | 0.9743 |
| ferulic acid 4-sulfate | 1.0153 | 0.9724 | 1.0334 | 0.9838 | 1.0083 | 0.9273 | 1.0328 | 1.0238 | 1.0357 | 1.0105 | 1.0114 | 1.0043 | 0.9943 | 0.9994 | 0.9950 | 0.9472 | 1.0195 | 0.9568 | 0.9899 | 0.9872 | 0.9707 | 0.9974 | 1.0181 | 0.9933 |
| ferulylglycine (1) | 0.9803 | 0.9605 | 1.0220 | 0.9654 | 0.9649 | 0.9140 | 1.1090 | 0.9789 | 0.9542 | 0.9873 | 0.9841 | 0.9826 | 0.9208 | 0.9944 | 0.9678 | 1.0024 | 0.9922 | 0.9505 | 0.9438 | 0.9655 | 0.9369 | 0.9867 | 1.1326 | 1.0387 |
| ferulylglycine (2) | 0.9564 | 1.0254 | 0.9676 | 0.9884 | 0.9573 | 0.9954 | 1.1059 | 1.1030 | 0.9504 | 0.8952 | 1.0928 | 0.9117 | 1.0212 | 0.9018 | 0.8935 | 0.9024 | 0.9691 | 0.9591 | 0.9785 | 1.0742 | 0.9834 | 0.9321 | 1.1509 | 0.9028 |
| fucitol | 1.1885 | 1.1701 | 1.2067 | 1.1478 | 1.1394 | 1.1111 | 1.2152 | 1.1569 | 0.9021 | 0.8768 | 0.9083 | 0.8890 | 0.8886 | 0.8862 | 0.8617 | 0.8889 | 0.8936 | 0.8997 | 0.9005 | 0.8823 | 0.8626 | 0.8711 | 1.0445 | 0.9084 |
| furaneol sulfate | 1.0545 | 1.0219 | 1.0516 | 0.9708 | 1.0126 | 1.0261 | 1.0306 | 1.0254 | 1.0082 | 0.9298 | 0.9521 | 1.0102 | 1.0112 | 0.9975 | 0.9444 | 0.9273 | 1.0288 | 1.0105 | 1.0822 | 0.9784 | 0.9668 | 0.9704 | 1.0230 | 0.9544 |
| galactosylglycerol* | 1.0243 | 1.0191 | 1.0202 | 0.9723 | 0.9514 | 0.9777 | 1.0792 | 0.9021 | 0.9452 | 0.9621 | 0.9205 | 0.9811 | 0.9486 | 0.9276 | 0.9205 | 0.8990 | 1.0200 | 1.0208 | 1.0563 | 0.9478 | 1.0003 | 1.0647 | 1.1299 | 1.0679 |
| gamma-CEHC | 1.5326 | 1.3566 | 1.4183 | 1.7280 | 1.3605 | 1.4315 | 1.1828 | 1.6007 | 0.8882 | 0.7724 | 0.7491 | 0.9631 | 0.7783 | 0.7758 | 0.7469 | 0.8304 | 0.7618 | 0.6716 | 0.6766 | 0.8561 | 0.6156 | 0.6274 | 0.7398 | 0.6991 |
| gamma-CEHC glucuronide* | 0.9895 | 0.9876 | 1.0165 | 0.9838 | 0.9744 | 0.9838 | 1.0558 | 0.9898 | 0.9811 | 0.9945 | 0.9840 | 1.0082 | 0.9853 | 0.9795 | 0.9778 | 0.9952 | 0.9865 | 0.9835 | 0.9815 | 0.9721 | 0.9630 | 0.9667 | 1.0683 | 1.0016 |
| gamma-glutamyltyrosine | 0.9439 | 1.0466 | 0.9301 | 0.9863 | 0.9541 | 0.9828 | 0.9385 | 0.9076 | 0.9669 | 1.0873 | 1.0028 | 1.0263 | 1.0167 | 1.0237 | 0.9984 | 1.0173 | 1.0231 | 1.0145 | 1.0344 | 1.0437 | 1.0492 | 1.0282 | 0.9940 | 1.1023 |
| gentisate | 0.9211 | 0.9905 | 0.9844 | 0.9632 | 0.9279 | 0.9345 | 1.1633 | 0.9432 | 0.9593 | 0.9592 | 0.9730 | 0.9666 | 0.9356 | 0.9461 | 0.9578 | 0.9793 | 0.9378 | 0.9862 | 0.9340 | 0.9531 | 0.9496 | 0.9317 | 1.2017 | 1.0300 |
| gentisic acid-5-glucoside | 0.9482 | 0.9000 | 0.9180 | 0.9298 | 0.8181 | 0.9537 | 1.3709 | 0.8687 | 0.8419 | 0.9022 | 0.8248 | 0.9058 | 0.9263 | 0.9873 | 0.8305 | 0.8888 | 0.9801 | 0.8025 | 0.9894 | 0.8414 | 0.9183 | 1.0012 | 1.4744 | 0.8332 |
| glycochenodeoxycholate | 1.0634 | 1.2264 | 1.1074 | 1.0732 | 1.1058 | 1.2158 | 0.8469 | 1.3545 | 1.0592 | 1.1056 | 0.9712 | 1.0237 | 0.9222 | 1.1559 | 1.0585 | 0.9383 | 0.9993 | 0.8200 | 0.9161 | 0.9650 | 0.9045 | 0.8349 | 0.7511 | 1.2010 |
| glycochenodeoxycholate glucuronide (1) | 1.0413 | 1.0303 | 1.1252 | 0.9586 | 1.0203 | 0.8259 | 1.2962 | 0.9921 | 0.8935 | 0.8712 | 0.8475 | 0.8399 | 0.9286 | 0.8712 | 0.7972 | 1.0328 | 0.9508 | 0.9439 | 1.0527 | 0.8707 | 0.8717 | 0.9225 | 1.3047 | 0.9806 |
| glycochenodeoxycholate sulfate | 1.1025 | 0.9984 | 1.1080 | 1.0466 | 0.9079 | 0.8894 | 1.3116 | 0.9959 | 0.8700 | 0.9047 | 0.8632 | 0.8646 | 0.9029 | 0.8092 | 0.7861 | 0.8280 | 1.0180 | 0.9116 | 1.0555 | 0.9256 | 0.8716 | 0.9974 | 1.2962 | 0.9526 |
| glycocholate | 0.9471 | 1.0618 | 0.9783 | 1.0251 | 1.0236 | 0.9388 | 1.1714 | 1.0319 | 1.0229 | 1.0245 | 0.9928 | 1.0331 | 0.9662 | 1.0007 | 0.9611 | 0.9725 | 0.9699 | 0.8964 | 0.9149 | 0.9063 | 0.8681 | 0.8880 | 1.0593 | 0.9467 |
| glycocholate glucuronide (1) | 0.9750 | 1.0348 | 1.0095 | 1.0128 | 1.1598 | 0.8763 | 1.0380 | 0.9083 | 0.9434 | 0.9426 | 0.9565 | 0.9512 | 1.0277 | 1.0433 | 0.9665 | 1.0336 | 1.1851 | 1.0910 | 1.0118 | 1.0161 | 1.0278 | 0.9413 | 0.9858 | 0.9548 |
| glycocholenate sulfate* | 1.0801 | 1.1266 | 1.0926 | 0.9921 | 1.0334 | 0.9223 | 1.2414 | 1.0340 | 0.8020 | 0.8889 | 0.7735 | 0.7697 | 0.8498 | 0.8752 | 0.8115 | 0.9028 | 0.9783 | 0.9845 | 1.0719 | 0.9362 | 0.8494 | 0.9528 | 1.2608 | 1.1320 |
| glycodeoxycholate | 1.1337 | 0.9651 | 1.2268 | 1.1119 | 0.8049 | 1.2413 | 0.8953 | 1.0745 | 1.1827 | 1.1784 | 1.0473 | 0.9343 | 1.0244 | 0.9458 | 1.0523 | 0.8800 | 0.8693 | 0.9772 | 0.9930 | 0.9353 | 1.0712 | 1.0127 | 0.9429 | 1.1087 |
| glycodeoxycholate sulfate | 1.1272 | 1.0912 | 1.0840 | 0.9799 | 0.9724 | 0.8946 | 1.3272 | 0.9588 | 0.8485 | 0.8628 | 0.8465 | 0.7981 | 0.7849 | 0.8278 | 0.8171 | 1.0301 | 1.0401 | 0.9378 | 1.0667 | 0.9020 | 0.8425 | 0.9110 | 1.2769 | 1.0664 |
| glycohyocholate | 1.3668 | 0.9665 | 1.2582 | 1.2741 | 0.7347 | 1.2129 | 0.8034 | 0.9685 | 0.9958 | 1.3025 | 1.0087 | 1.0377 | 1.1543 | 1.2525 | 0.9593 | 1.0421 | 0.8504 | 1.0737 | 0.9692 | 1.0947 | 0.9303 | 1.2370 | 0.7998 | 1.0361 |
| glycolithocholate sulfate* | 1.2194 | 1.2352 | 1.1870 | 1.0056 | 1.1009 | 0.8997 | 1.5446 | 1.0796 | 0.7601 | 0.7714 | 0.6975 | 0.6302 | 0.7779 | 0.7380 | 0.8437 | 0.7273 | 0.9758 | 0.8352 | 1.0576 | 0.8095 | 0.7146 | 0.9890 | 1.3068 | 0.8814 |
| glycoursodeoxycholate | 1.0286 | 1.0083 | 1.1256 | 0.9122 | 0.8953 | 0.8975 | 1.2418 | 0.8372 | 0.9758 | 0.9982 | 1.0847 | 0.9211 | 0.9663 | 0.8963 | 0.8655 | 0.8217 | 0.9410 | 0.8065 | 0.9591 | 0.8679 | 1.0131 | 0.9160 | 1.3172 | 0.9823 |
| guanosine | 1.0669 | 1.0489 | 1.0411 | 1.0263 | 1.0712 | 1.0586 | 1.0771 | 1.1202 | 0.9467 | 0.9328 | 0.9297 | 0.9718 | 1.0035 | 0.9131 | 0.9759 | 0.9317 | 0.9819 | 0.9568 | 0.9549 | 0.9595 | 0.9237 | 0.9258 | 1.0511 | 0.9507 |
| guanosine-3^,5^-cyclic monophosphate (cGMP) | 0.9344 | 1.0632 | 1.0958 | 1.0435 | 0.8798 | 1.0098 | 1.0150 | 1.0222 | 0.9367 | 0.9169 | 1.0211 | 0.9423 | 0.9543 | 1.0162 | 0.9861 | 1.0508 | 0.9278 | 1.1122 | 0.9983 | 1.0805 | 0.9219 | 0.9134 | 1.0749 | 0.9882 |
| heptanoylglutamine | 1.0210 | 0.9349 | 0.9701 | 0.9380 | 1.0234 | 0.9709 | 1.1252 | 0.9882 | 1.0399 | 1.0161 | 1.0460 | 1.0365 | 0.9714 | 1.0013 | 0.9020 | 0.9414 | 0.9699 | 0.9413 | 1.0703 | 0.9305 | 0.8783 | 1.0054 | 1.0869 | 0.9786 |
| hexanoylglutamine | 0.9738 | 0.9590 | 0.9906 | 0.9563 | 0.9668 | 0.9432 | 1.1240 | 0.9916 | 0.9626 | 0.9830 | 0.9948 | 0.9845 | 0.9401 | 0.9907 | 0.9626 | 0.9768 | 0.9810 | 0.9530 | 0.9464 | 0.9595 | 0.9722 | 0.9648 | 1.1444 | 0.9788 |
| hexanoylglycine | 0.9426 | 0.9018 | 0.9387 | 0.9329 | 0.9190 | 0.9291 | 1.2980 | 0.9397 | 0.9291 | 0.9382 | 0.9290 | 0.9375 | 0.8950 | 0.9339 | 0.9008 | 0.9239 | 0.9521 | 0.9358 | 0.9535 | 0.9125 | 0.9156 | 0.9085 | 1.3283 | 0.9683 |
| histidine | 0.9052 | 0.8854 | 0.8965 | 0.8885 | 0.8682 | 0.8832 | 1.2930 | 0.8886 | 0.9223 | 0.9358 | 0.9279 | 0.9271 | 0.9181 | 0.9334 | 0.9219 | 0.9348 | 0.9815 | 0.9677 | 0.9646 | 0.9593 | 0.9415 | 0.9532 | 1.3454 | 0.9833 |
| homocarnosine | 0.9060 | 0.9922 | 1.0514 | 0.9397 | 0.9453 | 1.0582 | 1.1627 | 0.9971 | 1.0154 | 0.9840 | 0.9415 | 0.9612 | 0.9485 | 0.8883 | 0.8988 | 0.9804 | 1.0401 | 0.9690 | 0.9885 | 1.0254 | 0.8162 | 0.9422 | 1.1194 | 1.0423 |
| homocitrulline | 0.9933 | 0.9742 | 0.9855 | 0.9533 | 0.9562 | 0.9343 | 1.0674 | 0.9594 | 0.9997 | 0.9796 | 0.9753 | 0.9844 | 0.9931 | 0.9678 | 0.9637 | 0.9681 | 1.0337 | 1.0027 | 1.0380 | 0.9965 | 0.9816 | 0.9781 | 1.0980 | 0.9876 |
| homovanillate (HVA) | 0.9795 | 1.0014 | 1.0024 | 0.9909 | 0.9699 | 0.9664 | 1.0370 | 0.9966 | 1.0191 | 1.0105 | 1.0098 | 0.9882 | 0.9643 | 0.9989 | 0.9634 | 1.0120 | 1.0168 | 0.9985 | 0.9884 | 1.0029 | 0.9444 | 0.9965 | 1.0386 | 1.0067 |
| homovanillate sulfate | 0.9979 | 0.9549 | 1.0395 | 0.9916 | 0.9282 | 0.8347 | 0.9524 | 0.8953 | 1.0545 | 0.9510 | 1.0019 | 1.0657 | 1.0390 | 1.0535 | 0.9900 | 0.9037 | 1.0461 | 1.2336 | 1.0248 | 1.0438 | 1.1076 | 1.0237 | 0.9744 | 1.0601 |
| hydantoin-5-propionic acid | 0.9886 | 1.0122 | 0.9964 | 0.9870 | 0.9814 | 0.9715 | 1.0363 | 0.9747 | 0.9417 | 0.9698 | 0.9557 | 0.9557 | 0.9483 | 0.9464 | 0.9460 | 0.9406 | 1.0375 | 1.0428 | 1.0180 | 1.0358 | 1.0015 | 1.0342 | 1.0727 | 1.0627 |
| hydrochlorothiazide | 1.1160 | 1.0287 | 1.1310 | 1.1369 | 1.1417 | 1.1631 | 0.8201 | 1.0794 | 1.0920 | 1.0730 | 1.0694 | 1.1182 | 1.1133 | 1.1196 | 1.0754 | 1.1005 | 1.1200 | 1.2137 | 1.1195 | 1.1200 | 1.0690 | 1.1269 | 0.8429 | 1.0872 |
| hydroquinone sulfate | 0.9604 | 0.9559 | 0.9721 | 0.9308 | 0.9689 | 0.9250 | 1.1401 | 0.9555 | 0.9725 | 0.9666 | 0.9685 | 0.9890 | 0.9542 | 0.9927 | 0.9478 | 0.9631 | 0.9750 | 1.0016 | 0.9747 | 0.9647 | 0.9853 | 0.9904 | 1.1433 | 1.0026 |
| ibuprofen | 2.0814 | 2.0891 | 2.0262 | 2.5582 | 1.9830 | 1.7839 | 0.9101 | 2.0657 | 1.7154 | 1.0010 | 0.8226 | 0.7249 | 0.7666 | 0.7404 | 0.8596 | 0.9044 | 0.3782 | 0.3482 | 0.6269 | 0.4933 | 0.6058 | 0.3132 | 0.2451 | 0.3668 |
| ibuprofen acyl glucuronide | 1.0271 | 0.9443 | 1.0022 | 0.9021 | 0.7928 | 1.0762 | 1.0042 | 0.9542 | 0.6217 | 0.8969 | 0.9615 | 1.0134 | 1.0388 | 0.8479 | 0.9778 | 0.9760 | 0.9652 | 1.0298 | 1.0058 | 1.0800 | 1.0982 | 1.0790 | 1.0982 | 1.1832 |
| indole-3-carboxylic acid | 0.8956 | 0.6787 | 0.8459 | 0.9852 | 0.9286 | 1.0572 | 0.9250 | 0.8247 | 1.0781 | 0.8939 | 0.7980 | 1.3007 | 1.1068 | 1.1721 | 0.9631 | 0.8685 | 0.8157 | 0.9131 | 1.2201 | 1.2714 | 1.1026 | 0.9406 | 1.0859 | 0.9389 |
| indoleacetylglutamine | 0.9972 | 1.0036 | 1.0204 | 1.0194 | 0.9728 | 1.0066 | 1.0204 | 1.0209 | 0.9867 | 1.0150 | 0.9978 | 1.0053 | 0.9738 | 0.9880 | 1.0030 | 0.9838 | 1.0106 | 0.9915 | 0.9852 | 0.9910 | 0.9509 | 0.9803 | 1.0083 | 0.9913 |
| indoleacetylglycine | 1.0225 | 0.9469 | 0.9012 | 0.9645 | 0.9438 | 0.9831 | 1.0080 | 0.9611 | 1.0395 | 1.0252 | 1.0147 | 1.0483 | 0.9876 | 1.1389 | 1.0139 | 1.0153 | 1.0249 | 0.9273 | 0.9632 | 1.0766 | 0.9973 | 0.9119 | 1.0112 | 0.9716 |
| indolelactate | 1.0501 | 0.9805 | 1.0218 | 1.0066 | 1.0144 | 1.0293 | 1.0052 | 1.0104 | 1.0213 | 0.9822 | 0.9715 | 1.0107 | 0.9840 | 1.0112 | 0.9566 | 0.9586 | 1.0511 | 0.9850 | 1.0602 | 1.0019 | 0.9569 | 1.0124 | 0.9868 | 0.9713 |
| indolepropionylglycine | 0.9414 | 0.9593 | 0.9778 | 0.9653 | 0.9456 | 0.9694 | 1.1480 | 0.9642 | 0.9551 | 0.9791 | 0.9493 | 0.9635 | 0.9300 | 0.9573 | 0.9577 | 0.9698 | 0.9841 | 0.9808 | 0.9406 | 0.9657 | 0.9211 | 0.9782 | 1.1950 | 0.9638 |
| inosine | 0.9558 | 0.9001 | 0.9466 | 0.9859 | 0.9283 | 0.9184 | 1.1009 | 0.9531 | 0.9865 | 0.9344 | 0.9408 | 1.0742 | 0.9403 | 0.9315 | 0.9193 | 1.0264 | 1.0545 | 0.9507 | 0.9430 | 1.0843 | 0.9263 | 0.9484 | 1.1202 | 1.0241 |
| isobutyrylglycine | 0.9980 | 0.9859 | 0.9967 | 0.9880 | 0.9718 | 0.9744 | 1.0586 | 0.9862 | 1.0226 | 0.9952 | 0.9651 | 1.0028 | 0.9869 | 1.0080 | 0.9531 | 0.9683 | 1.0210 | 1.0135 | 1.0065 | 0.9861 | 0.9678 | 0.9370 | 1.0509 | 1.0066 |
| isocaproylglutamine | 0.9798 | 0.9653 | 1.0154 | 0.9865 | 0.9975 | 0.9641 | 1.0481 | 1.0027 | 0.9926 | 0.9929 | 0.9834 | 1.0118 | 0.9560 | 0.9830 | 1.0022 | 0.9921 | 1.0185 | 0.9778 | 0.9671 | 0.9856 | 0.9583 | 0.9763 | 1.0565 | 0.9914 |
| isocaproylglycine | 0.9830 | 0.9596 | 0.9912 | 0.9790 | 0.9518 | 0.9708 | 1.0992 | 1.0042 | 0.9652 | 0.9825 | 0.9870 | 0.9860 | 0.9629 | 0.9977 | 0.9564 | 0.9713 | 1.0044 | 1.0093 | 0.9940 | 0.9674 | 0.9524 | 0.9476 | 1.0970 | 0.9990 |
| isoeugenol sulfate | 1.0548 | 0.9676 | 1.1175 | 1.1156 | 1.1088 | 0.9239 | 1.0197 | 0.9652 | 0.9177 | 1.0032 | 1.0332 | 1.0102 | 1.0319 | 1.0165 | 0.9853 | 0.9882 | 0.9126 | 0.9183 | 1.0262 | 0.9864 | 0.9720 | 0.9335 | 0.9706 | 1.0001 |
| isovalerylglutamine | 0.8366 | 1.0368 | 1.0045 | 1.0191 | 0.9525 | 0.9236 | 1.0374 | 0.9242 | 0.8987 | 1.0441 | 1.0881 | 0.9669 | 0.8985 | 0.9150 | 1.0706 | 1.0964 | 0.8880 | 1.0248 | 0.7711 | 0.9946 | 1.0301 | 1.0454 | 1.0826 | 1.1589 |
| isovalerylglycine | 0.9422 | 0.9649 | 1.0152 | 0.9794 | 0.9777 | 0.9726 | 1.1385 | 0.9659 | 0.9495 | 0.9617 | 0.9710 | 0.9679 | 0.9333 | 0.9646 | 0.9596 | 0.9763 | 0.9715 | 0.9900 | 0.9378 | 0.9640 | 0.9443 | 0.9575 | 1.1512 | 0.9934 |
| I-urobilinogen | 1.4516 | 1.1828 | 1.1500 | 0.8198 | 0.6570 | 1.1179 | 0.9623 | 1.1253 | 1.2150 | 1.0587 | 1.2723 | 0.9633 | 0.8544 | 1.2497 | 1.2542 | 1.0602 | 1.0611 | 0.8458 | 0.9562 | 0.9306 | 0.5191 | 1.0055 | 0.7840 | 0.7424 |
| lisinopril | 1.1585 | 1.0642 | 1.3260 | 1.0815 | 1.2239 | 1.1087 | 0.8543 | 1.1055 | 1.1081 | 1.0443 | 1.0855 | 1.2382 | 1.2370 | 1.1542 | 1.1443 | 1.2537 | 1.0949 | 1.1958 | 1.3613 | 1.0940 | 1.0167 | 1.1206 | 0.8851 | 1.1338 |
| malate | 1.0071 | 0.9822 | 1.0221 | 0.9960 | 0.9858 | 1.0033 | 1.1073 | 1.0174 | 0.9896 | 0.9329 | 0.9682 | 0.9839 | 0.9668 | 0.9531 | 0.9293 | 0.9640 | 0.9937 | 0.9799 | 1.0102 | 0.9763 | 0.9564 | 0.9549 | 1.0738 | 0.9982 |
| methyl-4-hydroxybenzoate sulfate | 0.9853 | 0.9538 | 0.9107 | 0.9738 | 0.9430 | 1.0136 | 1.1432 | 0.9489 | 0.9712 | 1.0328 | 0.9496 | 0.9439 | 0.9414 | 0.9406 | 0.9440 | 0.9127 | 1.0018 | 0.9825 | 1.0078 | 0.9659 | 1.0043 | 0.9353 | 1.1674 | 0.9802 |
| mevalonate | 1.2870 | 0.8127 | 1.3166 | 0.8518 | 1.1148 | 1.0559 | 0.8908 | 1.0775 | 1.3932 | 1.2164 | 0.8304 | 1.3093 | 0.8890 | 1.3205 | 1.0126 | 0.9501 | 0.9377 | 0.7430 | 1.1328 | 1.1083 | 0.8182 | 1.0241 | 0.7312 | 0.7235 |
| N1-Methyl-2-pyridone-5-carboxamide | 0.9772 | 0.9873 | 1.0115 | 0.9971 | 0.9612 | 0.9674 | 1.0491 | 1.0063 | 0.9979 | 1.0011 | 1.0153 | 0.9992 | 0.9397 | 0.9977 | 0.9742 | 0.9824 | 0.9913 | 0.9954 | 0.9746 | 0.9744 | 0.9936 | 0.9808 | 1.0531 | 1.0228 |
| N1-methylinosine | 0.9928 | 0.9603 | 1.0007 | 0.9602 | 0.9693 | 0.9707 | 1.1021 | 0.9842 | 0.9667 | 0.9881 | 0.9727 | 0.9758 | 0.9535 | 1.0091 | 0.9624 | 0.9646 | 1.0081 | 0.9938 | 0.9928 | 0.9722 | 0.9422 | 0.9980 | 1.1045 | 0.9718 |
| N-(2-furoyl)glycine | 0.8823 | 0.9361 | 0.9522 | 0.8833 | 0.9137 | 0.8647 | 1.4520 | 0.9363 | 0.9232 | 0.8806 | 0.8871 | 0.8778 | 0.8413 | 0.8800 | 0.8877 | 0.8602 | 0.9168 | 0.8787 | 0.8993 | 0.9141 | 0.8884 | 0.9249 | 1.4471 | 0.9113 |
| N2-methylguanosine | 1.0356 | 1.0064 | 1.0612 | 0.9857 | 1.0311 | 1.0119 | 1.0701 | 1.0188 | 0.9663 | 0.9513 | 0.9666 | 0.9926 | 0.9747 | 0.9794 | 0.9656 | 0.9700 | 0.9869 | 0.9509 | 0.9864 | 0.9681 | 0.9532 | 0.9588 | 1.0634 | 0.9663 |
| N2,N5-diacetylornithine | 1.0494 | 0.9987 | 1.0441 | 0.9938 | 1.0441 | 0.9921 | 0.9949 | 1.0230 | 1.0211 | 0.9995 | 0.9994 | 1.0378 | 0.9937 | 1.0357 | 0.9805 | 0.9761 | 1.0054 | 0.9875 | 1.0196 | 0.9771 | 0.9918 | 0.9921 | 0.9582 | 0.9889 |
| N2,N6-diacetyllysine | 0.9876 | 0.9802 | 1.0194 | 0.9734 | 0.9825 | 0.9656 | 1.0766 | 0.9756 | 0.9899 | 0.9932 | 0.9735 | 1.0218 | 0.9803 | 1.0133 | 0.9664 | 0.9680 | 1.0015 | 0.9793 | 0.9748 | 0.9775 | 0.9662 | 0.9741 | 1.0591 | 0.9894 |
| N3-methyluridine | 1.0224 | 0.9188 | 0.9904 | 0.9742 | 0.9753 | 0.9840 | 1.0709 | 1.0165 | 0.9722 | 0.9604 | 0.9471 | 1.0131 | 0.9789 | 1.0104 | 0.9759 | 1.0258 | 1.0794 | 0.9782 | 1.0545 | 0.9842 | 0.9576 | 0.9801 | 1.0446 | 0.9121 |
| N4-acetylcytidine | 0.9629 | 0.9767 | 1.0197 | 0.9989 | 1.0026 | 0.9901 | 1.0500 | 0.9838 | 0.9639 | 0.9985 | 0.9823 | 0.9643 | 0.9595 | 0.9882 | 0.9895 | 1.0116 | 1.0024 | 0.9896 | 0.9611 | 0.9841 | 0.9875 | 0.9841 | 1.0698 | 1.0024 |
| N6-succinyladenosine | 0.9980 | 0.9645 | 0.9901 | 0.9604 | 0.9749 | 0.9638 | 1.0398 | 0.9730 | 0.9990 | 0.9921 | 0.9815 | 1.0112 | 1.0229 | 1.0186 | 0.9876 | 0.9946 | 0.9841 | 1.0022 | 1.0011 | 0.9799 | 0.9803 | 0.9810 | 1.0664 | 0.9821 |
| N-acetyl-1-methylhistidine* | 0.9001 | 1.0247 | 1.0474 | 1.0001 | 0.9595 | 0.9410 | 1.0052 | 1.0401 | 0.9492 | 1.0276 | 1.0833 | 1.0468 | 0.8955 | 1.0066 | 1.0336 | 1.1084 | 0.8894 | 0.9485 | 0.7882 | 0.9488 | 1.0249 | 0.9293 | 1.0742 | 1.1392 |
| N-acetyl-3-methylhistidine* | 0.9489 | 0.8955 | 0.9540 | 0.9116 | 0.9334 | 0.9050 | 1.2754 | 0.9261 | 0.9486 | 0.9517 | 0.9476 | 0.9812 | 0.9424 | 1.0139 | 0.9274 | 0.9528 | 0.9610 | 0.9479 | 0.9154 | 0.9122 | 0.9416 | 0.9030 | 1.2648 | 0.9260 |
| N-acetylalanine | 0.9683 | 0.9819 | 0.8806 | 0.9784 | 0.9586 | 0.9390 | 1.0989 | 0.8387 | 1.0278 | 1.0213 | 1.0543 | 1.0046 | 0.8579 | 1.0812 | 1.0025 | 1.0888 | 0.9852 | 0.9933 | 1.0481 | 1.0155 | 0.9814 | 0.9787 | 1.0533 | 0.8764 |
| N-acetylasparagine | 0.8062 | 0.8893 | 0.8946 | 0.9202 | 0.8441 | 0.8432 | 1.0673 | 0.8883 | 0.9258 | 1.0133 | 0.9533 | 0.8781 | 0.8506 | 0.9009 | 0.9701 | 0.9855 | 1.0198 | 1.0549 | 0.9102 | 1.0806 | 1.1254 | 1.0808 | 1.2935 | 1.2337 |
| N-acetylaspartate (NAA) | 1.0398 | 0.9958 | 1.0265 | 0.9837 | 0.9688 | 1.0167 | 1.0718 | 1.0153 | 1.0134 | 0.9616 | 0.9534 | 1.0092 | 0.9553 | 0.9631 | 0.9653 | 0.9376 | 1.0368 | 0.9635 | 1.0319 | 0.9918 | 0.9596 | 0.9710 | 1.0478 | 0.9313 |
| N-acetyl-beta-alanine | 0.9455 | 0.9715 | 0.9656 | 0.9688 | 0.9219 | 0.9346 | 1.1137 | 0.9555 | 0.9387 | 0.9392 | 0.9388 | 0.9458 | 0.8977 | 0.9490 | 0.9164 | 0.9621 | 1.0278 | 1.0508 | 1.0301 | 1.0306 | 1.0102 | 1.0110 | 1.1398 | 1.0661 |
| N-acetylcarnosine | 0.9679 | 0.9838 | 0.9925 | 0.9898 | 0.9544 | 0.9521 | 1.0884 | 0.9323 | 0.9592 | 1.0403 | 0.9997 | 0.9749 | 0.9514 | 0.9976 | 1.0040 | 0.9743 | 0.9627 | 0.9817 | 0.9346 | 0.9643 | 0.9762 | 0.9925 | 1.1055 | 0.9992 |
| N-acetylcitrulline | 1.0248 | 0.9527 | 1.0035 | 0.9598 | 0.9834 | 0.9452 | 1.1272 | 0.9639 | 0.9847 | 0.9516 | 0.9716 | 0.9984 | 1.0639 | 1.0343 | 0.9394 | 0.9723 | 0.9958 | 0.9824 | 0.9989 | 0.9435 | 0.9419 | 0.9276 | 1.0999 | 0.9383 |
| N-acetylcysteine | 1.0081 | 0.9118 | 1.2124 | 0.7028 | 0.9513 | 1.0650 | 1.2130 | 0.8424 | 1.2015 | 1.0019 | 0.9842 | 1.0169 | 0.9209 | 1.1979 | 1.2152 | 0.9967 | 0.9527 | 0.9791 | 1.1765 | 0.7178 | 0.8778 | 0.8990 | 1.0036 | 0.8421 |
| N-acetylhistidine | 1.0237 | 0.9696 | 0.9980 | 0.9735 | 0.9943 | 0.9715 | 1.1333 | 0.9699 | 0.9795 | 0.9434 | 0.9517 | 0.9899 | 1.0423 | 1.0262 | 0.9380 | 0.9824 | 0.9823 | 0.9755 | 0.9956 | 0.9377 | 0.9235 | 0.9209 | 1.1043 | 0.9587 |
| N-acetylisoleucine | 0.9882 | 0.9617 | 1.0088 | 0.9823 | 0.9505 | 1.0071 | 1.0772 | 1.0050 | 0.9866 | 0.9805 | 0.9740 | 1.0037 | 0.9479 | 0.9908 | 0.9718 | 0.9752 | 1.0130 | 0.9751 | 0.9986 | 0.9690 | 0.9527 | 1.0036 | 1.0726 | 0.9774 |
| N-acetylkynurenine (2) | 0.9400 | 1.0476 | 1.0493 | 1.0254 | 0.9961 | 0.9787 | 0.9989 | 1.0132 | 1.0366 | 1.0180 | 1.0691 | 1.1225 | 1.0371 | 1.0162 | 0.9938 | 1.0626 | 0.9727 | 0.9456 | 0.9294 | 1.0177 | 0.9817 | 1.0055 | 0.8805 | 1.0128 |
| N-acetylleucine | 0.9605 | 0.9629 | 0.9992 | 0.9812 | 0.9519 | 0.9551 | 1.1079 | 0.9789 | 0.9641 | 0.9748 | 0.9753 | 0.9780 | 0.9723 | 0.9943 | 0.9642 | 0.9783 | 0.9986 | 0.9661 | 0.9585 | 0.9801 | 0.9556 | 0.9880 | 1.1274 | 0.9523 |
| N-acetylmethionine | 1.0066 | 0.9830 | 1.0454 | 0.9351 | 0.9981 | 0.9997 | 1.0356 | 0.9777 | 1.0414 | 1.0238 | 1.0187 | 1.0270 | 0.9332 | 1.0733 | 1.0626 | 1.0362 | 0.9760 | 0.9532 | 1.0125 | 0.9280 | 0.9032 | 0.9933 | 0.9957 | 1.0191 |
| N-acetylphenylalanine | 0.9738 | 0.9820 | 1.0050 | 0.9723 | 0.9766 | 0.9659 | 1.0930 | 0.9909 | 0.9740 | 0.9622 | 0.9882 | 0.9930 | 0.9647 | 0.9740 | 0.9707 | 0.9819 | 0.9935 | 0.9664 | 0.9775 | 0.9760 | 0.9548 | 0.9647 | 1.1030 | 0.9917 |
| N-acetylpyrraline | 1.0055 | 1.0111 | 1.0328 | 1.0324 | 0.9728 | 0.9911 | 1.0153 | 1.0305 | 0.9964 | 0.9787 | 0.9829 | 1.0048 | 0.9863 | 1.0001 | 0.9737 | 0.9850 | 1.0264 | 0.9912 | 0.9868 | 0.9885 | 0.9538 | 1.0046 | 1.0120 | 0.9830 |
| N-acetyl-S-allyl-L-cysteine | 1.0081 | 0.9877 | 1.0060 | 1.0094 | 0.9436 | 0.9960 | 0.9674 | 1.0394 | 1.0018 | 1.0200 | 1.0427 | 1.0166 | 0.9854 | 1.0230 | 1.0005 | 1.0337 | 1.0194 | 0.9979 | 1.0032 | 0.9911 | 0.9515 | 0.9997 | 0.9913 | 1.0331 |
| N-acetyltaurine | 0.9329 | 0.9611 | 1.0076 | 0.9660 | 0.9663 | 0.9161 | 1.0433 | 0.9542 | 0.9767 | 1.0045 | 0.9964 | 0.9724 | 0.9528 | 0.9553 | 0.9725 | 1.0012 | 1.0166 | 1.0149 | 0.9870 | 1.0046 | 1.0119 | 0.9958 | 1.1084 | 1.0625 |
| N-acetyltryptophan | 0.9718 | 0.9751 | 1.0075 | 0.9894 | 1.0070 | 0.9918 | 1.0772 | 0.9685 | 0.9646 | 0.9768 | 0.9851 | 0.9964 | 0.9721 | 0.9861 | 0.9774 | 0.9761 | 1.0193 | 0.9758 | 0.9648 | 0.9810 | 0.9445 | 0.9944 | 1.0666 | 0.9990 |
| N-acetyltyrosine | 1.0013 | 0.9970 | 1.0246 | 0.9953 | 0.9743 | 0.9822 | 1.0539 | 0.9854 | 0.9769 | 0.9800 | 0.9941 | 1.0055 | 0.9748 | 0.9825 | 0.9810 | 0.9911 | 0.9890 | 0.9961 | 0.9712 | 0.9756 | 0.9629 | 0.9856 | 1.0486 | 1.0085 |
| N-acetylvaline | 0.9923 | 0.9752 | 1.0061 | 0.9825 | 0.9934 | 0.9810 | 1.0643 | 1.0015 | 0.9957 | 0.9962 | 0.9943 | 0.9905 | 0.9656 | 1.0030 | 0.9815 | 0.9800 | 1.0086 | 0.9827 | 0.9572 | 0.9800 | 0.9632 | 0.9654 | 1.0598 | 0.9974 |
| naringenin 7-glucuronide | 0.9712 | 0.8926 | 0.9601 | 1.1156 | 0.9233 | 0.9409 | 0.9559 | 0.9609 | 1.0609 | 0.9674 | 0.9886 | 0.9860 | 1.0887 | 0.9774 | 0.9480 | 0.9778 | 0.9623 | 1.1368 | 0.9391 | 1.0020 | 1.1038 | 0.8904 | 1.1094 | 1.0704 |
| N-delta-acetylornithine | 1.0018 | 0.9910 | 1.0157 | 0.9432 | 0.9411 | 0.9244 | 1.1748 | 0.9622 | 1.0060 | 0.9377 | 0.9729 | 0.9474 | 0.9628 | 0.9358 | 0.8867 | 0.9626 | 1.0013 | 0.9011 | 1.0047 | 0.9438 | 0.9319 | 0.9565 | 1.2211 | 0.9604 |
| N-formylanthranilic acid | 0.9806 | 0.9935 | 0.9686 | 0.9971 | 0.9690 | 1.0010 | 1.0297 | 0.9803 | 0.9730 | 0.9543 | 0.9567 | 0.9900 | 0.9871 | 0.9594 | 0.9487 | 0.9779 | 1.0252 | 1.0437 | 1.0361 | 1.0417 | 1.0033 | 0.9976 | 1.0464 | 1.0094 |
| N-formylmethionine | 1.0149 | 0.9400 | 0.9877 | 0.9014 | 0.8752 | 0.9208 | 1.1739 | 0.9365 | 1.0195 | 0.9509 | 0.9677 | 0.9932 | 0.9121 | 1.0127 | 0.9979 | 0.9627 | 1.0111 | 0.9430 | 0.9761 | 0.9032 | 0.8767 | 0.9318 | 1.2203 | 0.9864 |
| N-methylhydantoin | 1.1357 | 1.1224 | 0.9565 | 1.1501 | 0.9092 | 1.2403 | 1.0440 | 0.9438 | 1.3871 | 0.9946 | 0.7300 | 0.8405 | 0.6693 | 0.8934 | 0.9744 | 1.0386 | 0.9140 | 0.9781 | 1.0090 | 1.1551 | 0.9163 | 0.8971 | 0.9373 | 1.1330 |
| N-methylpipecolate | 0.9932 | 0.9248 | 0.9460 | 0.9422 | 0.9087 | 0.8885 | 1.2822 | 0.9028 | 0.9763 | 0.9434 | 0.9695 | 0.9286 | 0.9461 | 0.9946 | 0.8839 | 0.9280 | 0.9142 | 0.9212 | 0.9785 | 0.9732 | 0.9391 | 0.9167 | 1.2462 | 0.9820 |
| N-octanoylglutamine | 0.9913 | 0.9646 | 1.0089 | 0.9557 | 0.9387 | 0.9487 | 1.1440 | 0.9582 | 1.0022 | 0.9996 | 0.9847 | 1.0044 | 0.9198 | 0.9680 | 0.9353 | 0.9633 | 0.9801 | 0.9673 | 0.9746 | 0.9357 | 0.9668 | 0.9448 | 1.1528 | 0.9655 |
| N-octanoylglycine | 0.9004 | 0.9900 | 0.8916 | 0.9054 | 0.8679 | 0.8325 | 1.0872 | 1.1050 | 1.2457 | 0.9407 | 1.1356 | 0.9913 | 0.9410 | 0.9494 | 1.1839 | 1.1614 | 0.8541 | 0.8929 | 0.9436 | 0.9081 | 0.9027 | 0.9622 | 1.1748 | 1.0750 |
| N,O-didesmethylvenlafaxine glucuronide | 1.1892 | 1.1775 | 1.1863 | 1.1470 | 1.1708 | 1.1870 | 0.8442 | 1.1466 | 1.1045 | 1.0794 | 1.2927 | 1.2709 | 1.1784 | 1.1527 | 1.2086 | 1.1073 | 1.0815 | 1.1669 | 1.1390 | 1.1014 | 1.0351 | 1.1336 | 0.8743 | 1.2375 |
| o-cresol sulfate | 0.9964 | 0.9830 | 0.9950 | 0.9791 | 0.9693 | 0.9619 | 1.0874 | 0.9683 | 1.0040 | 0.9612 | 0.9993 | 0.9956 | 0.9558 | 0.9863 | 0.9692 | 0.9643 | 0.9791 | 0.9862 | 0.9846 | 0.9732 | 0.9709 | 0.9805 | 1.0801 | 1.0171 |
| O-methylcatechol sulfate | 0.9822 | 0.9759 | 0.9905 | 0.9869 | 0.9642 | 0.9736 | 1.0814 | 0.9877 | 0.9643 | 0.9703 | 0.9939 | 0.9764 | 0.9555 | 0.9766 | 0.9693 | 0.9932 | 0.9922 | 1.0000 | 0.9769 | 0.9822 | 0.9640 | 0.9795 | 1.1001 | 0.9854 |
| O-sulfo-L-tyrosine | 0.9884 | 0.9742 | 0.9986 | 0.9542 | 0.9945 | 0.9461 | 1.1093 | 0.9641 | 0.9932 | 0.9772 | 0.9818 | 0.9865 | 0.9891 | 1.0156 | 0.9638 | 0.9742 | 0.9708 | 0.9852 | 0.9922 | 0.9684 | 0.9726 | 0.9615 | 1.0870 | 0.9859 |
| oxalate (ethanedioate) | 0.9970 | 0.9839 | 0.9590 | 0.9811 | 0.9600 | 0.9818 | 1.0019 | 1.0172 | 1.0837 | 1.0264 | 1.0414 | 1.1061 | 1.0706 | 1.0443 | 1.0288 | 0.9917 | 0.9819 | 0.9198 | 0.9611 | 1.0082 | 0.9446 | 0.9289 | 0.9789 | 0.9163 |
| pantothenate | 0.9787 | 0.9201 | 0.9686 | 0.9473 | 1.0016 | 0.8917 | 1.1964 | 0.9563 | 0.9658 | 1.0249 | 0.9462 | 0.9349 | 0.9551 | 1.0065 | 0.9380 | 1.0027 | 0.9489 | 0.9793 | 0.9566 | 0.9579 | 0.9215 | 0.9466 | 1.1601 | 1.0032 |
| paraxanthine | 1.0134 | 0.9818 | 1.0046 | 0.9980 | 0.9799 | 0.9742 | 1.0497 | 0.9856 | 0.9912 | 0.9691 | 1.0094 | 0.9970 | 0.9567 | 0.9689 | 0.9827 | 0.9994 | 0.9981 | 0.9992 | 1.0081 | 0.9770 | 0.9503 | 0.9842 | 1.0512 | 1.0136 |
| p-cresol-glucuronide* | 0.9769 | 0.9616 | 1.0107 | 0.9968 | 0.9692 | 1.0002 | 1.0881 | 1.0126 | 0.9640 | 0.9850 | 0.9960 | 0.9721 | 0.9708 | 0.9606 | 0.9718 | 0.9830 | 0.9762 | 0.9502 | 0.9931 | 0.9745 | 0.9281 | 0.9832 | 1.0968 | 0.9934 |
| p-cresol sulfate | 0.9765 | 0.9460 | 0.9742 | 0.9765 | 0.9459 | 0.9848 | 1.1345 | 0.9861 | 0.9618 | 0.9671 | 0.9806 | 0.9751 | 0.9455 | 0.9731 | 0.9485 | 0.9712 | 0.9757 | 0.9748 | 0.9720 | 0.9669 | 0.9482 | 0.9679 | 1.1417 | 0.9857 |
| phenol sulfate | 0.9461 | 0.9545 | 0.9620 | 0.9645 | 0.9271 | 0.9721 | 1.1846 | 0.9462 | 0.9587 | 0.9533 | 0.9574 | 0.9683 | 0.9459 | 0.9466 | 0.9471 | 0.9779 | 0.9582 | 0.9693 | 0.9634 | 0.9563 | 0.9282 | 0.9566 | 1.1919 | 0.9748 |
| phenylacetylalanine | 0.9692 | 0.9978 | 1.0098 | 0.9866 | 0.9588 | 0.9811 | 1.0827 | 0.9950 | 0.9972 | 0.9544 | 0.9733 | 1.0157 | 0.9820 | 0.9665 | 0.9775 | 0.9732 | 0.9955 | 0.9782 | 0.9693 | 0.9709 | 0.9379 | 0.9752 | 1.0881 | 0.9721 |
| phenylacetylglycine | 0.9671 | 0.9596 | 0.9998 | 0.9880 | 0.9587 | 0.9744 | 1.0868 | 0.9902 | 0.9835 | 0.9853 | 0.9827 | 0.9844 | 0.9776 | 0.9900 | 0.9719 | 0.9758 | 0.9988 | 0.9762 | 0.9588 | 0.9777 | 0.9555 | 0.9848 | 1.1096 | 0.9480 |
| phenylacetylmethionine | 1.0057 | 0.9832 | 1.0516 | 0.9701 | 0.8877 | 0.9434 | 1.0835 | 0.9739 | 1.0049 | 0.9913 | 1.0111 | 0.9905 | 0.9497 | 1.0107 | 1.0210 | 1.0390 | 1.0211 | 0.9351 | 0.9431 | 0.9177 | 0.8637 | 0.9784 | 1.1167 | 1.0074 |
| phenylacetylphenylalanine | 0.9143 | 1.0198 | 1.1093 | 0.9871 | 0.9208 | 1.0154 | 1.0374 | 1.0014 | 1.0483 | 1.1352 | 1.0045 | 1.0122 | 1.0804 | 0.9071 | 0.9714 | 1.0953 | 1.0230 | 0.8795 | 0.9294 | 0.9491 | 0.9962 | 0.9106 | 1.0303 | 1.0693 |
| phenylacetylserine | 0.9662 | 0.9567 | 1.0387 | 1.0348 | 0.9842 | 0.9656 | 1.0473 | 1.0202 | 1.0394 | 1.0219 | 0.9685 | 0.9262 | 0.9125 | 0.9692 | 0.9474 | 1.0279 | 0.9936 | 1.0040 | 0.9643 | 0.9831 | 1.0243 | 1.0148 | 1.0811 | 0.9723 |
| phenylacetylthreonine | 0.9995 | 0.9672 | 1.0132 | 0.9913 | 0.9760 | 0.9863 | 1.0619 | 1.0086 | 0.9759 | 0.9904 | 0.9773 | 0.9974 | 0.9758 | 0.9768 | 0.9694 | 0.9871 | 1.0156 | 0.9815 | 0.9791 | 0.9863 | 0.9644 | 0.9731 | 1.0669 | 0.9770 |
| phenyllactate (PLA) | 0.9725 | 0.9869 | 0.9728 | 1.0531 | 0.9865 | 1.0024 | 1.0111 | 1.0886 | 0.9648 | 0.9696 | 1.0817 | 0.9627 | 0.9501 | 0.9980 | 1.0339 | 1.0631 | 0.9265 | 1.0272 | 0.9719 | 1.0031 | 0.9057 | 0.9412 | 1.0367 | 0.9642 |
| phenylpropionylglycine | 0.9375 | 0.9586 | 1.0069 | 1.0290 | 0.9503 | 0.9955 | 1.1131 | 0.9702 | 0.9743 | 0.9713 | 0.9768 | 0.9827 | 0.9093 | 0.9755 | 0.9626 | 0.9655 | 0.9475 | 0.9718 | 0.9622 | 1.0053 | 0.9415 | 0.9475 | 1.1195 | 0.9832 |
| pregnanediol-3-glucuronide | 0.9434 | 0.9272 | 0.9472 | 0.9582 | 0.9034 | 0.9458 | 1.3902 | 0.9612 | 0.9137 | 0.8767 | 0.8708 | 0.8835 | 0.8603 | 0.9141 | 0.8911 | 0.8734 | 0.9351 | 0.9106 | 0.9060 | 0.8976 | 0.8945 | 0.8538 | 1.3993 | 0.9331 |
| pregnen-diol disulfate C21H34O8S2* | 0.9797 | 0.9924 | 1.0238 | 0.9601 | 1.0312 | 0.9275 | 1.2374 | 0.9665 | 0.8888 | 0.9911 | 0.8407 | 0.8235 | 0.8257 | 0.9703 | 0.8498 | 0.9201 | 0.9667 | 0.9979 | 1.0449 | 0.9564 | 0.9032 | 0.9870 | 1.2905 | 0.9788 |
| pregn steroid monosulfate C21H34O5S* | 1.0436 | 1.2260 | 1.1399 | 1.2413 | 0.9032 | 1.0234 | 0.8037 | 1.3341 | 1.0041 | 0.9897 | 1.0002 | 1.0485 | 1.0027 | 1.1056 | 0.9270 | 1.0558 | 1.0548 | 0.8867 | 1.2068 | 1.1004 | 1.0504 | 1.0336 | 0.8162 | 1.2038 |
| pro-hydroxy-pro | 0.9724 | 0.9796 | 0.9769 | 0.9612 | 0.9218 | 0.9691 | 1.1444 | 0.9206 | 0.9885 | 0.9704 | 0.9756 | 0.9474 | 0.9339 | 0.9183 | 0.9179 | 0.9112 | 1.0002 | 0.9555 | 1.0495 | 0.9648 | 0.9377 | 0.9680 | 1.1931 | 1.0559 |
| propyl 4-hydroxybenzoate sulfate | 0.6250 | 0.6952 | 0.6905 | 0.6865 | 0.6740 | 0.7156 | 2.0768 | 0.6916 | 0.6965 | 0.6949 | 0.6442 | 0.7199 | 0.6358 | 0.6850 | 0.6764 | 0.6655 | 0.7267 | 0.7047 | 0.7049 | 0.6648 | 0.7141 | 0.5995 | 2.2451 | 0.6213 |
| pseudouridine | 0.9757 | 0.9949 | 1.0089 | 0.9805 | 1.0029 | 0.9469 | 1.0404 | 0.9860 | 0.9766 | 1.0045 | 1.0092 | 0.9943 | 0.9789 | 1.0007 | 0.9749 | 0.9951 | 1.0041 | 0.9986 | 0.9820 | 0.9981 | 0.9820 | 0.9657 | 1.0491 | 1.0231 |
| pyridoxate | 0.9065 | 0.8929 | 0.9307 | 0.9105 | 0.8833 | 0.8954 | 1.4309 | 0.9174 | 0.9223 | 0.9080 | 0.9179 | 0.9124 | 0.8770 | 0.9013 | 0.8974 | 0.9013 | 0.9307 | 0.9068 | 0.9039 | 0.9074 | 0.8803 | 0.9020 | 1.3839 | 0.9228 |
| pyrraline | 0.9469 | 1.0924 | 1.0736 | 1.0306 | 0.9163 | 0.9963 | 0.9874 | 1.0373 | 1.0349 | 0.9949 | 1.0608 | 1.0141 | 0.9069 | 0.9425 | 1.0045 | 0.9658 | 0.9804 | 1.0012 | 0.9330 | 1.0083 | 1.0276 | 1.0198 | 0.9809 | 1.0492 |
| S-(3-hydroxypropyl)mercapturic acid (HPMA) | 0.9362 | 0.9024 | 0.9447 | 0.8946 | 0.9608 | 0.9040 | 1.2489 | 0.9147 | 0.9508 | 0.9179 | 0.9399 | 0.9729 | 0.9592 | 1.0053 | 0.9622 | 0.9238 | 0.9588 | 0.9601 | 0.9573 | 0.9105 | 0.9306 | 0.9186 | 1.2864 | 0.9281 |
| saccharin | 0.8528 | 0.8993 | 0.8955 | 0.8713 | 0.8406 | 0.8432 | 1.3965 | 0.9013 | 0.8352 | 0.8830 | 0.9306 | 0.8709 | 0.8616 | 0.8894 | 0.8742 | 0.9454 | 0.8370 | 0.8788 | 0.8084 | 0.8675 | 0.8833 | 0.8963 | 1.6411 | 0.9510 |
| S-adenosylhomocysteine (SAH) | 1.0147 | 0.9741 | 1.0006 | 1.0484 | 0.9349 | 0.9536 | 1.0399 | 0.9655 | 1.0036 | 0.9507 | 0.9516 | 1.0332 | 1.0111 | 0.9986 | 0.9839 | 1.0025 | 0.9450 | 0.9743 | 1.0089 | 0.9966 | 0.9679 | 0.9596 | 1.0303 | 1.0757 |
| salicyluric glucuronide* | 0.8941 | 1.0429 | 0.8977 | 0.9146 | 0.8677 | 0.9535 | 1.2905 | 0.8583 | 0.9423 | 0.8708 | 0.9027 | 1.0219 | 1.0211 | 0.9110 | 0.9194 | 0.9789 | 0.9257 | 0.9742 | 0.9504 | 0.9235 | 0.9333 | 0.8590 | 1.3018 | 0.8807 |
| sebacate (C10-DC) | 1.0019 | 0.9958 | 0.9884 | 1.0226 | 1.0167 | 0.9834 | 0.9850 | 1.0274 | 0.9902 | 0.9907 | 0.9805 | 1.0249 | 0.9459 | 0.9698 | 1.0073 | 1.0163 | 0.9844 | 1.0228 | 0.9846 | 1.0354 | 0.9922 | 0.9571 | 1.0074 | 0.9969 |
| succinimide | 1.1173 | 1.1013 | 0.9684 | 1.0139 | 1.0085 | 1.0206 | 1.1403 | 0.9477 | 0.9792 | 0.8703 | 0.9688 | 0.9541 | 0.9324 | 0.9653 | 0.9081 | 1.0362 | 0.9580 | 0.9804 | 0.9688 | 0.9502 | 1.0038 | 0.9270 | 1.0489 | 1.0188 |
| sucralose | 0.8284 | 0.7822 | 0.8212 | 0.8287 | 0.8039 | 0.8041 | 1.6841 | 0.8067 | 0.8377 | 0.8391 | 0.7820 | 0.8236 | 0.8010 | 0.8262 | 0.8121 | 0.8991 | 0.8559 | 0.8133 | 0.8406 | 0.8475 | 0.7934 | 0.8224 | 1.6515 | 0.8076 |
| sulfate* | 0.9335 | 0.9270 | 0.9277 | 0.9203 | 0.9337 | 0.9126 | 1.1832 | 0.9283 | 0.9614 | 0.9344 | 0.9624 | 0.9593 | 0.9560 | 0.9585 | 0.9425 | 0.9569 | 0.9878 | 0.9876 | 0.9932 | 0.9889 | 0.9847 | 0.9596 | 1.2239 | 0.9512 |
| syringol sulfate | 0.9244 | 0.9609 | 0.9265 | 0.9587 | 0.9551 | 0.9523 | 1.1312 | 0.9627 | 0.9121 | 0.9603 | 0.9475 | 0.9574 | 0.9221 | 0.9811 | 0.9857 | 1.0085 | 0.9740 | 1.0171 | 1.0013 | 0.9879 | 0.9574 | 0.9679 | 1.1800 | 0.9556 |
| tartarate | 1.0320 | 1.0539 | 1.1474 | 1.0640 | 1.0466 | 1.0880 | 1.2344 | 1.0270 | 0.8829 | 0.9135 | 0.9505 | 0.9030 | 1.0002 | 0.8713 | 0.8645 | 0.9221 | 1.0621 | 0.9330 | 0.9717 | 0.9488 | 0.9096 | 0.8499 | 1.0659 | 0.9182 |
| taurine | 0.8512 | 0.8114 | 0.8424 | 0.8295 | 0.8249 | 0.8225 | 0.9476 | 0.8201 | 1.0435 | 1.0365 | 1.0176 | 1.0194 | 0.9856 | 1.0323 | 1.0336 | 1.0017 | 1.1038 | 1.1092 | 1.1195 | 1.1086 | 1.1120 | 1.0957 | 1.1377 | 1.1320 |
| tauro-beta-muricholate | 0.9437 | 1.0549 | 0.9727 | 1.0043 | 0.9256 | 0.9628 | 0.9926 | 0.9607 | 1.0756 | 0.9949 | 1.0945 | 1.0286 | 0.9583 | 1.0182 | 0.9830 | 0.9300 | 1.0352 | 1.0941 | 1.0761 | 1.0116 | 0.9245 | 1.0205 | 0.9585 | 1.1233 |
| taurocholenate sulfate | 1.0829 | 1.0830 | 1.0695 | 1.0148 | 1.0330 | 0.9572 | 1.2338 | 1.0063 | 0.7906 | 0.8952 | 0.7646 | 0.6987 | 0.9165 | 0.8278 | 0.8358 | 0.8629 | 0.9775 | 0.9586 | 1.0009 | 0.9357 | 0.8851 | 0.9661 | 1.3239 | 1.0962 |
| taurolithocholate 3-sulfate | 1.1975 | 1.0204 | 1.0709 | 0.9902 | 0.8627 | 0.8411 | 1.6088 | 1.0394 | 0.7830 | 0.8264 | 0.6813 | 0.6510 | 0.8040 | 0.6246 | 0.7454 | 0.8300 | 0.9908 | 0.8548 | 0.9932 | 0.7938 | 0.7182 | 0.8646 | 1.4753 | 0.8505 |
| tetrahydrocortisone | 0.9361 | 0.7076 | 0.9803 | 0.9558 | 0.8595 | 0.7924 | 1.0305 | 0.7644 | 0.9834 | 0.9678 | 0.9216 | 1.1239 | 0.9039 | 1.0820 | 0.9380 | 1.0875 | 1.0040 | 1.1536 | 0.9608 | 1.1799 | 0.8961 | 1.0429 | 1.1953 | 1.0141 |
| theophylline | 1.0126 | 0.9719 | 0.9883 | 0.9882 | 0.9932 | 0.9693 | 1.0691 | 0.9608 | 1.0005 | 0.9729 | 1.0047 | 1.0235 | 0.9709 | 0.9789 | 0.9888 | 0.9649 | 0.9979 | 0.9458 | 1.0198 | 0.9727 | 0.9690 | 0.9764 | 1.0582 | 0.9740 |
| thymine | 0.9795 | 0.9973 | 1.0235 | 1.0134 | 0.9599 | 0.9401 | 1.0632 | 0.9983 | 0.9826 | 1.0093 | 1.0311 | 0.9605 | 0.9737 | 0.9727 | 0.9438 | 1.0032 | 0.9781 | 1.0179 | 0.9452 | 1.0000 | 0.9715 | 0.9423 | 1.0593 | 1.0707 |
| thymol sulfate | 1.0037 | 0.9964 | 1.0145 | 1.0293 | 1.0469 | 0.9388 | 1.0296 | 0.9751 | 1.0572 | 1.0209 | 0.9943 | 0.9700 | 1.0210 | 0.9799 | 0.9594 | 1.0772 | 0.9650 | 0.9913 | 0.9724 | 0.9512 | 0.9461 | 0.9796 | 1.0365 | 1.0194 |
| trans-2-hexenoylglycine | 0.8900 | 0.8659 | 0.9130 | 0.8917 | 0.8889 | 0.8930 | 1.4762 | 0.9071 | 0.8922 | 0.8832 | 0.8825 | 0.9052 | 0.8774 | 0.9068 | 0.8798 | 0.8909 | 0.9189 | 0.9137 | 0.8902 | 0.8855 | 0.8817 | 0.8610 | 1.4683 | 0.8856 |
| trihydroxybutane | 0.9052 | 1.0167 | 0.9635 | 1.0543 | 1.0529 | 0.9131 | 1.0699 | 0.9869 | 1.0043 | 0.9656 | 1.0185 | 1.0268 | 0.9770 | 0.8930 | 0.9994 | 0.9619 | 0.9338 | 0.9844 | 1.0005 | 0.9449 | 0.9623 | 1.0345 | 1.0283 | 1.1013 |
| tyramine O-sulfate | 1.0376 | 0.9589 | 1.0022 | 0.9565 | 0.8916 | 0.9751 | 1.0755 | 0.9966 | 0.9476 | 0.9583 | 0.9530 | 0.9791 | 0.9929 | 0.9868 | 0.9110 | 0.9443 | 1.0340 | 1.0129 | 0.9858 | 1.0096 | 0.9364 | 1.0254 | 1.1343 | 1.0099 |
| umbelliferone sulfate | 0.9736 | 0.9580 | 0.9635 | 0.9313 | 0.9292 | 0.9672 | 1.1179 | 0.9884 | 0.9965 | 0.9548 | 0.9215 | 1.0069 | 0.9961 | 0.9765 | 0.9506 | 0.9124 | 1.0375 | 1.0200 | 1.0110 | 0.9944 | 0.9882 | 0.8812 | 1.1514 | 0.9501 |
| uracil | 0.9783 | 0.9584 | 0.9688 | 0.9660 | 0.9574 | 0.9578 | 1.1107 | 0.9835 | 0.9859 | 0.9723 | 1.0013 | 0.9781 | 0.9475 | 0.9840 | 0.9503 | 0.9922 | 0.9749 | 1.0048 | 0.9859 | 0.9737 | 0.9716 | 0.9521 | 1.1111 | 1.0213 |
| urate | 1.0261 | 1.0385 | 1.0287 | 1.0340 | 1.0041 | 1.0264 | 1.1026 | 1.0474 | 0.9252 | 0.9207 | 0.9659 | 0.9157 | 0.9313 | 0.9084 | 0.9042 | 0.9284 | 0.9743 | 0.9831 | 0.9818 | 1.0124 | 0.9941 | 0.9810 | 1.0987 | 0.9978 |
| uridine | 0.9520 | 0.9499 | 0.9869 | 0.9816 | 0.9275 | 0.9609 | 1.0563 | 0.9346 | 1.0353 | 0.9550 | 0.9787 | 1.1005 | 0.9646 | 0.9918 | 0.9785 | 0.9518 | 1.0512 | 0.9413 | 1.0360 | 1.0257 | 0.9819 | 0.9573 | 1.0533 | 0.9417 |
| Urolithin A | 0.9538 | 0.7553 | 0.8860 | 0.7851 | 0.7433 | 0.8563 | 1.4513 | 0.8117 | 0.8575 | 0.7298 | 0.8512 | 1.0126 | 0.9624 | 0.7928 | 0.8805 | 0.8022 | 0.9124 | 0.7572 | 0.8998 | 0.8782 | 0.7949 | 0.8630 | 1.4161 | 1.0280 |
| ursocholate | 1.0319 | 0.9885 | 1.0418 | 0.9720 | 1.0080 | 0.9487 | 1.1759 | 1.0414 | 0.9436 | 1.0004 | 1.0217 | 0.9087 | 0.8076 | 0.9472 | 0.9404 | 0.9478 | 0.9092 | 0.9841 | 0.9877 | 0.9776 | 0.9601 | 0.9478 | 1.1173 | 0.9910 |
| vanillactate | 1.0134 | 0.9852 | 1.0382 | 1.0008 | 0.9831 | 0.9750 | 1.0590 | 0.9900 | 0.9864 | 0.9953 | 0.9773 | 0.9827 | 0.9530 | 0.9933 | 0.9871 | 0.9720 | 0.9724 | 0.9705 | 0.9601 | 0.9787 | 0.9656 | 0.9774 | 1.0712 | 1.0026 |
| vanillate | 1.0277 | 1.0452 | 1.0761 | 0.9574 | 0.9339 | 0.9515 | 1.1235 | 1.0345 | 0.9940 | 0.8860 | 0.9958 | 0.9751 | 0.9430 | 0.9608 | 0.9878 | 0.9624 | 0.9795 | 0.9450 | 0.8846 | 0.9547 | 0.9503 | 0.9432 | 1.1267 | 0.9989 |
| vanillic alcohol sulfate | 0.9286 | 0.8606 | 0.9302 | 0.8921 | 0.9274 | 0.9036 | 1.3664 | 0.9013 | 0.8612 | 0.9250 | 0.9106 | 0.8795 | 0.9031 | 0.9387 | 0.8699 | 0.8692 | 0.9390 | 0.9086 | 0.9065 | 0.9181 | 0.8777 | 0.9470 | 1.4484 | 0.9441 |
| vanillylmandelate (VMA) | 1.0212 | 0.9708 | 1.0109 | 0.9607 | 1.0137 | 0.9419 | 1.0700 | 0.9608 | 1.0153 | 0.9985 | 0.9733 | 1.0101 | 1.0286 | 1.0218 | 0.9707 | 0.9842 | 0.9875 | 0.9844 | 1.0120 | 0.9662 | 0.9451 | 0.9547 | 1.0630 | 0.9607 |
| xanthosine | 0.9523 | 0.9724 | 0.9856 | 0.9484 | 0.9441 | 0.9229 | 1.0854 | 0.9645 | 0.9731 | 0.9599 | 1.0048 | 0.9997 | 0.9877 | 0.9880 | 0.9650 | 0.9627 | 0.9697 | 1.0224 | 0.9943 | 0.9839 | 0.9911 | 0.9567 | 1.1280 | 1.0137 |
| xanthurenate | 1.0324 | 0.9890 | 1.0321 | 0.9949 | 0.9659 | 0.9993 | 1.0410 | 0.9971 | 0.9852 | 1.0093 | 0.9980 | 0.9916 | 0.9683 | 1.0117 | 0.9743 | 0.9890 | 1.0009 | 0.9938 | 0.9976 | 0.9901 | 0.9805 | 0.9894 | 1.0101 | 1.0054 |
Factors:
| F1 | preservative:Borate | fridge_store_time:0 | thaw:1 fridge |
| F2 | preservative:Borate | fridge_store_time:0 | thaw:1 ice |
| F3 | preservative:Borate | fridge_store_time:0 | thaw:1 RT |
| F4 | preservative:Borate | fridge_store_time:0 | thaw:4 fridge |
| F5 | preservative:Borate | fridge_store_time:0 | thaw:4 ice |
| F6 | preservative:Borate | fridge_store_time:0 | thaw:4 RT |
| F7 | preservative:Borate | fridge_store_time:0 | thaw:none |
| F8 | preservative:Borate | fridge_store_time:24 | thaw:none |
| F9 | preservative:chlorhexidine | fridge_store_time:0 | thaw:1 fridge |
| F10 | preservative:chlorhexidine | fridge_store_time:0 | thaw:1 ice |
| F11 | preservative:chlorhexidine | fridge_store_time:0 | thaw:1 RT |
| F12 | preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge |
| F13 | preservative:chlorhexidine | fridge_store_time:0 | thaw:4 ice |
| F14 | preservative:chlorhexidine | fridge_store_time:0 | thaw:4 RT |
| F15 | preservative:chlorhexidine | fridge_store_time:0 | thaw:none |
| F16 | preservative:chlorhexidine | fridge_store_time:24 | thaw:none |
| F17 | preservative:none | fridge_store_time:0 | thaw:1 fridge |
| F18 | preservative:none | fridge_store_time:0 | thaw:1 ice |
| F19 | preservative:none | fridge_store_time:0 | thaw:1 RT |
| F20 | preservative:none | fridge_store_time:0 | thaw:4 fridge |
| F21 | preservative:none | fridge_store_time:0 | thaw:4 ice |
| F22 | preservative:none | fridge_store_time:0 | thaw:4 RT |
| F23 | preservative:none | fridge_store_time:0 | thaw:none |
| F24 | preservative:none | fridge_store_time:24 | thaw:none |