metabolite_name MPIIB.4132 MPIIB.5431 MPIIB.2981 MPIIB.2902 MPIIB.9322 MPIIB.7424 MPIIB.9763 MPIIB.6037 MPIIB.8512 MPIIB.5969 MPIIB.7049 MPIIB.8814 MPIIB.4243 MPIIB.7374 MPIIB.0240 MPIIB.7138 MPIIB.4138 MPIIB.3319 MPIIB.0523 MPIIB.2872 MPIIB.4981 MPIIB.3768 MPIIB.9818 MPIIB.4755 MPIIB.4312 MPIIB.0898 MPIIB.6068 MPIIB.3787 MPIIB.2949 MPIIB.2304 MPIIB.7717 MPIIB.2072 MPIIB.7468 MPIIB.8510 MPIIB.4380 MPIIB.3660 MPIIB.0560 MPIIB.6114 MPIIB.7816 MPIIB.9798 MPIIB.3365 MPIIB.3772 MPIIB.6606 MPIIB.8308 MPIIB.5074 1,2-propanediol 1.3027 0.9426 0.7139 1.0442 0.8983 2.8957 11.9387 0.9855 0.9339 0.9414 0.8677 1.055 1.1633 1.1903 0.779 1.0145 0.8616 0.8486 2.8924 0.8356 1.346 0.9102 0.783 1.115 0.9779 1.024 1.0398 1.0843 1.0492 5.2691 2.1126 0.875 0.6674 0.991 1.0255 1.7698 1.3744 1.1235 0.9806 0.7989 0.7135 1 0.6798 0.5893 1.2431 1,3,7-trimethylurate 1.1428 0.2222 0.2222 0.2222 0.2222 0.2222 0.2222 0.2222 0.2222 0.2222 1 0.2222 0.2222 0.2222 0.2222 0.2222 0.2222 0.2222 0.2222 0.2222 0.2222 0.2222 0.2222 0.2222 0.2222 0.2222 0.2222 0.6414 0.2222 0.2222 0.2222 0.2222 1.1912 0.2222 0.2222 0.2222 0.2222 0.2222 0.9219 0.2222 0.2222 1.0781 0.2222 0.2222 0.2222 1,3-dimethylurate 0.8141 0.8141 0.8141 0.8141 0.8141 0.8141 0.8141 0.8141 0.8141 0.8141 0.8141 0.8141 0.8141 0.8141 0.8141 0.8141 0.8141 0.8141 0.8141 0.8141 0.8141 0.8141 0.8141 0.8141 0.8141 0.8141 1 0.8141 0.8141 0.8141 0.8141 0.8141 1.1234 0.8141 0.8141 0.8141 0.8141 0.8141 0.8766 0.8141 0.8141 2.59 0.8141 0.8141 0.8141 1,5-anhydroglucitol (1,5-AG) 1.7516 1.1892 0.8096 1.143 1.3813 1.0511 0.8213 0.7104 1.2887 1.0085 1.2275 0.4193 0.7012 1.5873 1.3666 0.4669 0.77 0.9376 0.8935 1.0263 0.9552 0.7909 0.9915 0.6565 0.7526 1.6195 1.7996 1.8576 1.0595 0.4488 0.9789 1.3323 1.2229 1.457 1.0213 0.8497 1.5267 0.9081 1.9931 0.8373 0.8345 1.1881 1 0.3699 0.7547 1,7-dimethylurate 0.4011 0.1944 0.1944 0.1944 0.1944 0.1944 1.1648 0.1944 0.1944 0.1944 0.8352 0.1944 0.1944 0.1944 0.1944 0.1944 0.1944 0.1944 0.1944 0.1944 0.1944 0.1944 0.1944 0.1944 0.1944 0.1944 2.5417 0.1944 0.1944 0.1944 0.1944 0.1944 1.8917 0.1944 1.1688 0.1944 0.1944 0.1944 0.8312 0.1944 0.1944 2.1865 0.1944 0.1944 0.4033 10-heptadecenoate (17:1n7) 0.7158 0.8657 0.5205 0.7181 0.7394 1.3308 6.7149 1.491 0.7234 4.6837 1.0825 3.5056 6.7859 2.3578 1.1067 0.6144 0.5697 1.6635 1.1054 1.7307 1.8174 2.4573 0.7511 0.9175 0.4584 0.8212 0.7597 0.6869 1.0777 1.0515 0.4977 1.7923 0.3768 2.9929 0.8638 0.4412 1.2605 0.3133 1.5637 0.7074 1.3285 0.3835 1.1782 1 0.8099 10-nonadecenoate (19:1n9) 0.4013 1.0193 0.4332 0.5568 0.427 1.4882 12.2188 1.7142 0.9891 4.8144 1.0109 2.7454 5.7233 2.0352 1.0321 0.8352 0.8052 1.5474 0.8977 1.2418 1.6664 2.0287 0.9261 0.9383 0.4631 0.7698 0.6352 0.662 1.3608 1.7686 0.5687 1.9017 0.2431 3.518 0.7958 0.2411 1.5792 0.2333 1.8301 1 1.9262 0.3078 0.9333 1.0809 0.7275 10-undecenoate (11:1n1) 0.2947 0.8416 0.2947 2.123 0.2828 0.9027 3.0186 1.5857 0.3686 1.9244 0.72 1.2961 2.6586 1.5698 0.9565 1.3198 1.0435 1.0738 1.2037 0.4651 1.0742 1.671 0.5652 1.1072 0.3054 0.7685 0.2842 0.3609 0.5217 0.9582 1.4908 0.8695 2.5899 5.0612 1.1539 0.4809 0.812 0.2335 3.5299 3.5571 1 0.5841 0.5536 2.3344 1.9456 13-HODE + 9-HODE 1.2218 1.1644 1.1282 0.5579 1.1433 0.949 0.5912 0.5323 0.3051 1.1193 0.9944 1.3344 2.4325 0.5211 0.763 0.5018 0.6507 1.0085 0.9218 1.0601 0.6873 1.3019 0.643 0.5826 1.4376 1.0056 1.3107 5.7158 1 0.5039 1.211 0.6312 1.3749 1.1569 1.7978 0.5535 0.7654 1.0731 0.8242 0.4217 1.1422 0.9349 1.6448 0.3832 1.4563 13-methylmyristic acid 0.8531 1.0884 0.7002 0.9194 0.8767 1.1929 2.0722 1.0503 0.9814 1.5247 0.8616 1.7113 1.7505 1.1298 0.8946 0.9996 1.0004 0.941 1.0492 1.3492 1.1125 1.3546 1.1198 0.9367 0.8246 0.9658 0.871 0.3698 1.1675 1.0272 0.9669 1.6529 0.8724 1.8377 0.9108 1.4224 1.1605 0.7275 1.7904 0.8889 1 0.7794 0.9506 1.1276 0.9337 15-methylpalmitate (isobar with 2-methylpalmitate) 0.8422 1.1676 0.5003 0.714 0.5759 1.296 4.549 0.9488 0.7772 1.6357 1.1696 1.436 1.911 1.2354 1.0729 0.8287 0.9126 1.0246 1.0805 0.9754 1.3238 1.2682 1.0395 0.861 0.6652 0.9717 0.8807 0.6129 1.0453 0.8223 0.7733 1.2193 1.0127 1.8693 0.869 0.6876 1.4489 0.8883 1.2595 1 0.7972 0.6439 1.0739 0.7802 1.1789 16a-hydroxy DHEA 3-sulfate 4.2851 0.8901 0.7819 1.7763 1.4934 0.1001 0.0778 0.5157 0.7786 0.375 0.4269 0.1886 0.1763 0.228 0.201 1.1099 2.5087 0.5105 0.3739 2.2418 1.1845 1.5815 1.8481 1.229 1.4844 10.9814 1.2665 5.1947 0.9049 1.0262 2.4924 0.7798 0.5912 0.3553 0.6639 2.2378 4.8265 1.4524 1.1453 1 2.0095 0.1597 0.1478 1.1824 0.8313 16-hydroxypalmitate 1.1794 0.9921 1.0317 0.8911 0.8162 1.215 3.0105 1.1852 1.1164 1.5252 1.0211 1.4933 2.0878 0.9963 0.7236 0.9926 1.0059 1.2786 0.9545 0.9548 0.9789 0.9974 1.0026 0.584 0.7426 0.7757 1.1444 0.7783 1.137 1 0.8685 0.9768 0.9564 1.0439 0.8414 1.0148 1.055 0.7847 1.0398 0.8558 0.9145 0.6964 1.3975 1.0717 1.1654 17-methylstearate 0.6145 0.5675 0.4505 0.5084 0.8666 1.3019 4.7534 1.1517 1.0775 1.7002 1.0128 1.7551 1.9337 1.1937 0.9536 0.9967 0.8253 0.9748 0.7491 1.1648 1.6266 1.4461 0.8684 1.0837 0.9583 1.0033 0.8713 0.6728 1.2312 0.9813 0.7133 1.1564 0.7907 1.6885 0.8468 0.6382 1.0305 0.6977 1.2602 0.9127 1.0445 0.5616 1 1.0537 1.2635 1-arachidonoylglycerophosphocholine (20:4n6)* 0.8774 0.3444 1.2672 0.9979 0.9143 0.8423 0.6268 0.6322 1.0218 1.8971 1.0021 1.2731 0.9969 1.8231 1.093 0.6891 1.017 0.79 0.729 1.01 1.0738 0.6537 0.9688 0.6874 1.29 1.4551 2.0689 1.0829 0.5359 0.3993 0.4803 0.9325 1.3903 1.8572 1.3765 0.5678 1 1.0754 1.0705 0.8656 1.3553 1.8426 1.176 0.6979 0.864 1-arachidonoylglycerophosphoethanolamine* 0.6611 0.2331 0.6006 0.8665 0.5183 1.5201 1.3747 0.8281 0.9692 1.6543 1.2203 1.8904 1.9487 1.5 0.8562 0.4759 0.7811 0.6124 1.0308 1.3986 1.0962 1.3624 0.9304 0.5457 0.8757 1.427 1.0345 1.2534 0.7207 0.432 1.0584 1.1552 0.9043 1.5052 2.0714 1.2086 1.3845 0.8406 1.9749 0.9639 0.6422 0.9072 1 0.8691 1.139 1-arachidonoylglycerophosphoinositol* 1.3204 0.8366 0.5991 1.3624 1.0015 0.8835 1.6988 0.5481 1.4417 1.435 1.1836 1.5806 4.2454 1.3569 1.8395 0.4973 1.1941 0.4665 0.868 0.9859 0.3763 0.9985 0.874 0.8558 1.1244 2.0525 0.4211 0.4288 1.2131 0.9955 0.9584 0.7269 2.1658 1.6563 1.0155 0.9996 1 0.5209 3.0834 1.8452 0.405 1.2689 0.7357 0.7376 1.1444 1-arachidonoylglyercophosphate 0.6794 0.3836 0.6068 1.0872 0.8587 0.9648 1.0352 0.417 1.3819 0.9368 0.6096 1.8604 2.4045 1.365 0.7134 0.301 1.8926 0.6363 1.4821 1.5594 0.8828 0.708 1.3574 1.3951 1.2763 1.2604 1.0787 0.3885 1.4938 0.4558 0.9301 0.4682 1.7633 1.3626 1.3772 0.6445 1.3658 1 0.9545 1.4918 0.4722 0.823 1.1035 0.7626 1.0742 1-arachidoylglycerophosphocholine (20:0) 1.416 0.1767 2.2363 0.7661 0.8633 0.8718 0.2803 1.2048 2.0589 1.3091 0.4661 1.1199 0.4125 0.984 0.2834 1.2011 0.9745 0.836 1.2089 0.7633 1.016 0.8484 1.6145 0.6423 1.4861 1.782 1.5969 2.1298 1.1303 0.1767 0.5798 1.6585 1.8198 1.8719 1.9978 0.7221 0.4894 0.8697 1.2344 0.3752 2.2387 0.5884 1.6874 0.2643 0.5053 1-dihomo-linoleoylglycerophosphocholine (20:2n6)* 0.9985 0.1294 1.9761 0.7791 0.7219 1.9006 1.0015 0.3212 1.286 1.738 0.4676 1.2696 0.8185 1.4091 0.5765 0.6202 0.7644 0.9734 0.8188 1.1771 1.2379 0.4268 1.6369 0.5788 1.6079 1.7999 3.4044 1.9772 0.6352 0.1294 0.3541 1.4208 0.9619 1.2293 0.9006 1.1466 1.2548 0.5089 1.0381 0.5729 1.1957 1.4098 1.6537 0.881 0.5242 1-docosahexaenoylglycerophosphocholine (22:6n3)* 0.6616 0.3554 1.3072 0.743 0.8085 1.1296 0.923 0.6579 1.0023 1.3881 0.7238 1.9237 1.5869 1.422 0.9977 0.7338 1.1249 0.8035 0.7812 1.2826 1.4536 0.8973 1.5424 1.1683 2.8034 0.8756 1.9081 0.809 0.5039 0.4589 1 0.9103 1.2872 2.5014 1.4556 0.8898 1.0629 0.7496 0.876 0.9694 1.2618 2.1384 1.1288 0.871 1.0113 1-docosahexaenoylglycerophosphoethanolamine* 0.4932 0.2496 0.5524 0.6195 0.4468 1.9046 1.7968 0.7866 0.8004 1.5441 1.0755 2.4757 3.6295 1.2858 0.6408 0.541 1.1387 0.6793 0.9786 1.6473 1.5384 1.367 1.0813 0.8401 1.7084 0.9045 1.0214 0.819 0.6407 0.6031 1.6952 0.8604 0.8676 1.8915 1.8617 1.6263 1.6759 0.7172 1.3144 1.246 0.608 1 0.89 0.8278 1.5911 1-docosapentaenoylglycerophosphocholine (22:5n3)* 0.4822 0.3245 1.0511 0.5791 0.6206 1.1132 1.0136 0.6542 1.0998 2.5411 1.6606 0.9094 1.0899 1.212 0.9469 0.5652 0.6332 1.0016 0.7732 0.9813 1.2261 0.6242 0.7454 1.2784 1.9527 0.9984 1.5411 1.1375 0.3636 0.201 0.4807 1.172 1.3776 2.2505 1.0372 1 0.9578 0.8289 0.8534 0.6843 1.2292 2.7697 1.3537 1.0921 0.9081 1-docosapentaenoylglycerophosphocholine (22:5n6)* 1 0.1179 1.3316 1.5777 1.5854 0.362 0.7793 0.3135 0.5194 0.8014 0.9151 2.1877 1.2421 2.9404 1.4984 0.5262 0.5505 0.3758 0.5818 0.4415 1.1372 0.924 1.7226 0.4772 1.1699 1.4374 2.5032 1.368 0.1179 0.1179 0.5562 0.9726 0.9975 2.3391 1.3028 0.5877 2.3939 0.6497 1.0025 0.8495 1.3624 1.7325 2.9195 0.8371 1.2347 1-eicosapentaenoylglycerophosphocholine (20:5n3)* 0.633 0.2254 0.8859 0.3383 1.0154 2.096 1.4588 0.6768 1.1941 4.5192 3.4226 0.9392 2.16 1.1845 0.6952 0.718 0.8996 0.9724 0.8222 1.3895 3.4126 0.8439 0.9846 1.3508 4.2843 1.0548 1.7194 0.5963 0.4591 0.1543 0.3396 1 1.8008 4.607 1.4986 1.1124 0.8112 0.8885 1.6923 0.8126 0.8451 1.67 0.8358 1.5461 1.0301 1-eicosapentaenoylglycerophosphoethanolamine* 0.1865 0.1886 0.1865 0.1865 0.5775 4.9769 2.5485 0.232 1.1824 2.8065 7.6344 0.7533 6.1509 0.5522 0.3341 0.1865 0.5102 0.6397 0.7435 2.3042 3.2491 1.0276 1.208 1.6416 3.0262 0.5691 0.9724 0.2607 0.6044 0.1865 0.3241 1.3348 0.8208 3.5961 2.1461 2.7008 0.5009 0.4563 2.8365 1.0954 0.1865 0.9046 1.5135 1.794 0.8974 1-eicosatrienoylglycerophosphocholine (20:3)* 1.4559 0.1584 1.2302 0.674 0.9347 0.7971 0.6638 0.4511 1.041 2.1961 1.2766 1.6025 1.1216 1.7739 1.1144 0.68 0.5043 0.8498 0.4262 1.092 1.371 0.5195 1.2944 0.4228 0.9191 1.9584 1.4049 0.959 0.5149 0.1729 0.374 1.6981 1.1087 1.042 0.9766 0.6688 1.2471 0.9907 1.1319 0.6535 1.48 2.034 2.5011 0.8211 1 1-eicosatrienoylglycerophosphoethanolamine* 0.8268 0.1983 0.3838 0.8172 0.798 1.1376 1.0319 0.34 1.1888 1.284 1.8011 1.4472 1.685 1.7983 0.8514 0.4779 0.9098 0.5754 0.4444 2.18 1.8154 0.9681 1.2826 0.7246 0.9425 2.0017 1.3082 1.5218 0.634 0.1948 0.6565 1.3707 0.5458 0.575 1.3491 1.1495 1.3329 1.1883 1.3176 0.8383 0.3147 0.9223 1.2291 1 1.0087 1-eicosenoylglycerophosphocholine (20:1n9)* 1.6277 0.2984 2.5966 1.0345 0.9664 0.9942 0.6143 0.5002 1.5666 2.1883 0.6128 0.9627 0.4274 1.7418 0.8378 0.8377 1.0532 1.0058 0.9375 0.7067 1.2619 0.7209 1.5243 0.1557 1.5453 2.2745 2.4964 2.8 0.6173 0.1557 0.4048 1.3504 1.708 2.1471 1.171 0.2637 0.9039 1.0961 1.1166 0.6305 2.3754 1.1469 0.7129 0.5485 0.5859 1-linolenoylglycerophosphocholine (18:3n3)* 0.9721 0.234 0.9474 0.3678 1.4221 1.9457 1.5769 0.1436 1.3555 1.8778 1.8112 0.7415 1.0279 1.2545 0.5415 0.803 0.6527 0.4881 0.4548 1.4539 1.2455 0.5757 1.5204 0.9673 1.5718 1.4161 3.9233 0.8635 0.8996 0.0224 0.1738 1.1919 0.9576 0.9009 1.2033 1 1.28 1.3579 2.3394 0.4969 0.7003 1.2089 2.9854 1.23 0.8278 1-linoleoylglycerol (1-monolinolein) 0.6196 1.0027 13.0459 0.6585 0.671 0.6788 0.0514 0.6162 0.9973 0.6528 0.0834 2.2283 0.6562 1.2126 0.2662 1.6952 0.0772 10.5832 0.0514 4.7165 1.7782 1.6863 1.8374 0.6451 0.8224 1.075 10.3278 30.8736 1.3944 0.0884 0.0514 1.0513 1.0853 0.9964 1.8922 0.8163 1.0036 1.1747 0.0514 0.4695 1.7285 1.5882 0.5507 0.8596 0.6567 1-linoleoylglycerophosphocholine (18:2n6) 1.4771 0.2576 2.2485 1.1716 1.2146 0.9464 0.7654 0.5912 1.1528 1.1266 0.7204 0.9208 0.9077 1.2109 0.7963 0.7805 0.7262 0.6682 0.8912 1.1929 1.0536 0.718 1.9671 0.7621 1.9028 1.3112 2.4386 2.0638 0.6687 0.2518 0.822 1.1395 1.7489 1 1.1113 0.8759 0.9207 1.2425 1.0806 0.5217 1.1312 2.1859 1.1311 0.6975 0.6753 1-linoleoylglycerophosphoethanolamine* 0.831 0.2073 1 0.9907 0.7676 1.9332 1.0363 0.5365 0.9667 0.5253 1.1522 1.0426 1.6609 0.8428 0.6713 0.4181 0.5457 0.302 1.0063 1.6199 1.026 1.0888 1.7546 0.6438 1.3882 1 1.6037 2.6318 0.7783 0.1553 1.9653 1.1078 1.1138 0.8495 1.5175 2.1461 0.8177 1.1427 1.6792 0.505 0.4191 1.7399 1 0.5902 0.8129 1-linoleoylglycerophosphoinositol* 2.7548 0.6974 1.4794 1.0157 1.0507 2.4921 5.1064 0.2678 1.5935 0.8233 0.9673 1.866 5.6403 0.9157 0.9153 0.3424 1.3447 0.3927 0.724 0.4637 0.2678 1.1394 1.9251 0.4482 0.574 3.1285 0.9843 0.6776 1.1459 0.2678 1.3037 0.2678 1.3461 0.6003 0.4677 1.4033 0.4538 0.2958 1.3546 1 0.2678 1.0885 0.2678 0.2678 0.2687 1-margaroylglycerophosphocholine (17:0) 0.6269 0.4111 1.1658 0.8079 0.6523 0.6684 0.4283 0.7451 1.1872 2.5125 1.3236 0.9078 0.6324 1.6355 1.0134 1.0964 0.7897 1.1836 0.6562 1.724 2.1114 0.9866 1.3389 1.4048 1.9635 0.7334 1.7723 0.7107 0.8944 0.1182 0.3901 2.2944 1.5015 1.7534 1.368 0.6724 1.2267 0.8534 0.8706 0.9951 2.1763 1.8458 1 1.3958 0.7578 1-methyl-2-piperidinecarboxylic acid 2.2306 1.6624 0.2694 0.9323 0.8055 0.7021 0.5687 0.5236 1.8424 0.6529 1.1857 1.1292 3.093 1.9556 2.3115 0.1464 0.6418 1.5251 1.9554 0.7419 0.978 0.4084 1.022 0.4754 0.7358 1.0653 1.1369 1.3326 1.6585 0.5211 0.4674 1.6358 0.855 0.885 1.7514 1.0441 0.2674 1 3.7805 0.8136 1.444 2.3 2.6798 0.2365 0.5816 1-methylhistidine 0.8134 0.7569 0.4985 0.9475 0.4394 1.3512 0.9081 1.1858 1.5888 0.9982 1.5083 1.1138 1.9645 1.7822 2.1163 0.3591 0.5349 0.6551 1.0233 0.6844 1.2528 0.6779 0.8275 0.9258 1.0018 1.2014 1.6577 1.1371 0.6946 0.3591 1.8351 0.7753 2.1504 1.003 1.6865 1.1701 0.9914 0.8985 1.1749 1.7032 0.5437 1.1924 0.9264 0.997 0.6692 1-methylurate 2.4591 1.7087 0.6262 0.4187 1.6248 0.9856 6.2956 0.0722 1 0.8095 12.4585 0.8711 1.1144 0.5092 1.7693 0.0722 0.4457 0.0722 0.0722 0.3855 0.0722 0.0722 0.381 1.1613 0.5739 1.3396 8.7721 0.0722 0.3821 0.0722 0.0722 0.0722 1.6471 0.0722 3.0243 1.4405 0.5595 0.0722 3.0569 0.1116 0.1768 2.1419 0.3451 0.0722 1.803 1-myristoylglycerophosphocholine (14:0) 0.953 0.5509 0.9668 0.6329 1.0975 1.8464 1.2327 0.3218 1.2373 1.908 1.266 0.9432 1.2387 1.0668 0.804 0.884 0.9897 0.6746 0.4242 1.2862 1.2862 0.5894 1.0955 0.7019 1.0928 1.0103 1.9999 0.5312 1.1436 0.3541 0.2485 1.424 1.0645 0.7208 1.3709 0.6959 1 1.1872 1.2193 0.6864 0.8322 0.6835 2.232 0.8964 1.0097 1-nonadecanoylglycerophosphocholine(19:0) 0.6889 0.2882 1.2464 0.5679 0.9234 0.6041 0.1526 1.3858 1.2251 2.6191 0.6049 0.1526 0.3432 1.3935 0.1526 0.5671 0.7947 1.5044 0.5965 0.7715 1.8891 1.4542 2.6582 1.0766 2.3407 0.8816 3.1981 1.8991 0.8111 0.1526 0.4726 1.4055 1.8102 1.7448 1.2187 0.1526 0.7621 1.1327 0.5542 0.4321 1.0391 2.1733 1 0.1779 0.2477 1-oleoylglycerol (1-monoolein) 0.7058 1.0879 2.0676 0.6559 0.7213 0.9334 0.3263 0.2649 0.6942 1.0321 0.5104 1.4287 0.9679 1.5152 1.1632 0.5986 0.2247 3.8837 0.2171 1.8192 1.5466 1.4998 2.9734 1.0518 0.8973 0.8492 2.4742 4.639 0.7979 0.4088 0.0996 0.9797 0.7805 1.5627 3.1248 1.2837 1 1.2149 0.4179 0.58 1.5303 1.151 3.1376 1.2914 0.8408 1-oleoylglycerophosphocholine (18:1)* 1.2512 0.5038 1.7169 0.8857 1.0446 2 1.6764 0.5458 1.0333 1.2685 0.8099 0.8677 0.8218 1.2637 0.6438 0.5824 0.7368 0.7685 0.5989 1.2495 0.9667 0.6709 1.3361 0.8125 1.2339 1.4742 2.2311 1.4117 0.5088 0.2372 0.4181 1 1.013 1.2609 1.0171 1.0133 0.9269 0.9921 1.1997 0.5338 1.2068 1.2724 1.7376 0.6765 0.7963 1-oleoylglycerophosphoethanolamine 1.3549 0.5025 0.5891 0.7003 1.1124 2.9707 2.5089 0.2359 1.0443 0.8619 1.02 0.8399 2.3377 1.3098 0.4724 0.2397 0.696 0.2655 0.7762 1.8995 0.98 0.2728 3.2084 0.7442 1.8304 1.4763 1.2642 2.0065 0.8081 0.3218 1.3437 0.7735 1 0.8521 1.4731 1.4013 1.0599 1.348 2.0291 0.7123 0.5718 1.2313 2.1042 0.8249 0.9911 1-oleoylglycerophosphoglycerol* 0.6362 0.6362 0.6362 0.6362 0.6362 2.6318 3.5886 0.6362 1.0311 0.6362 0.9689 0.6362 0.6362 3.6361 1.2489 0.6362 0.8096 0.6362 0.6362 0.6362 0.6362 0.6362 0.9483 0.6362 0.79 0.6362 0.6362 0.6362 0.6362 0.6362 0.6362 0.6362 0.6433 0.6362 0.6362 1.3567 0.6362 0.6362 0.6362 0.6362 0.6362 0.6362 0.6362 0.6362 0.6362 1-oleoylglycerophosphoinositol* 1.28 1.2637 1 1.3598 0.8062 4.3521 6.0719 0.1091 1.1278 0.3578 1.1482 1.1558 1.0374 0.7283 0.9276 0.1439 0.2725 0.1091 0.6775 1.7279 0.3448 0.8231 2.1606 0.6966 1.1054 1.7137 0.7334 0.671 1.0234 0.3445 1.6684 0.4534 2.0806 1.2566 0.7914 5.0815 0.5664 0.3194 2.4863 1.062 0.1091 0.9766 0.6681 1.61 0.6123 1-oleoylplasmenylethanolamine* 0.4503 0.9863 0.7966 0.943 1.4045 1.6593 0.7322 0.1141 0.7968 1.1859 1.4702 1.2958 1 1.556 0.1141 0.2384 1.1608 0.4714 1.6986 0.5596 0.4038 0.2826 2.2623 1.6724 1.0255 1.2203 1.3191 0.994 2.1084 1 3.669 0.6202 2.5933 0.7864 0.938 2.5364 0.843 0.5357 1.5649 1.3919 0.55 0.5865 1.3965 2.2415 0.3763 1-palmitoleoylglycerophosphocholine (16:1)* 1.3008 0.4206 1.2104 0.7134 0.6505 4.1967 3.0784 0.4267 0.832 2.8013 1.4217 0.9771 0.9409 2.1123 1.5726 0.8717 0.9606 0.7498 0.6627 1.1361 1.4569 0.8254 1.1229 0.6832 1.0229 1.6157 2.2472 0.8363 0.4185 0.1621 0.1826 1.0738 1.0457 1.6128 1.2486 1 0.8392 0.9736 1.2526 0.5755 1.4734 0.7185 2.8042 0.5607 1.0374 1-palmitoylglycerol (1-monopalmitin) 0.6201 1.2079 3.3494 0.9509 0.7945 0.9949 0.7903 0.8189 1.1383 1.0745 0.8686 1.3457 0.7956 1.6106 1.0167 0.9419 0.6822 3.331 0.493 2.6241 1.0724 0.9458 2.8632 0.8836 1.0051 0.7096 3.2734 3.4699 0.4677 0.5462 0.8393 0.8043 0.6087 2.8921 3.1744 1.9829 0.5897 0.719 0.6337 1.2027 2.8238 1 5.1465 3.0065 1.3882 1-palmitoylglycerophosphate 0.6673 0.9239 0.2623 1.7417 0.9593 1.6128 0.8048 0.5163 1.5707 0.9271 1.1997 1.896 1.637 0.7582 0.671 0.7339 1.0407 0.1732 1.4981 2.0454 1.1856 0.8527 2.0252 0.7009 1.5403 1.2103 1.2186 0.2971 1.1203 0.4042 1.8986 0.3834 1.4401 1.0058 1 0.9767 1.6509 1.4537 1.4764 1.3915 0.3685 0.9401 0.7005 0.7423 0.7692 1-palmitoylglycerophosphocholine (16:0) 1.2696 0.8001 1.1859 0.9872 1.1377 1.103 0.8765 0.5986 1.1761 1.578 0.8628 1.083 0.9184 0.9938 0.6441 0.8114 1.0062 0.8815 0.67 1.1541 1.0482 0.7148 1.2765 0.8007 1.2675 1.2039 1.9706 0.9247 0.5773 0.267 0.5202 1.2806 1.0892 1.1025 1.022 0.8114 0.9109 1.174 1 0.4917 1.4884 1.1308 1.2521 0.5872 0.8914 1-palmitoylglycerophosphoethanolamine 0.6921 0.4381 0.5139 0.5488 0.6557 1.9397 0.8462 0.3998 1.1018 0.9707 1.5339 1.0293 2.6237 1.8086 0.8285 0.5012 1.2292 0.5209 1.0621 1.9015 1.2421 0.6704 1.4447 0.6842 1.2848 1.1466 1.4807 0.8488 0.733 0.2448 1.1788 0.9523 1.3594 1.048 1.2748 1.5185 1.0718 1.1788 1.5161 0.862 0.4355 0.8734 0.8865 0.4473 1 1-palmitoylglycerophosphoglycerol* 0.6055 0.6055 0.6055 0.6055 0.8634 0.6055 0.6055 0.6055 1.9417 0.6055 0.7105 0.6055 3.536 0.6055 0.6055 0.6055 1.3124 0.6055 0.6055 1.4547 0.6055 0.6055 0.6884 0.6055 0.6055 1.1366 0.7431 0.6055 0.7551 0.6055 0.6585 0.6055 1.3337 0.6055 1.1272 0.8102 1.4815 1.2643 0.6055 0.8728 0.6055 0.6055 0.6055 0.6055 0.6055 1-palmitoylglycerophosphoinositol* 1.322 1 0.2168 0.7463 0.4309 3.351 0.5058 0.2168 0.6169 0.5414 2.9462 1.1269 1.1912 0.8092 0.2168 0.2168 0.2899 0.5341 0.7895 2.2216 0.2168 0.5782 2.2462 0.2168 1.7837 2.849 1.9241 0.2168 2.3466 0.2168 1.2468 0.985 2.0154 0.8111 0.2168 2.1917 0.9591 0.5728 2.1978 1.8628 0.2168 1.015 0.3988 0.2168 0.5649 1-palmitoylplasmenylethanolamine* 0.8367 0.8288 0.3963 0.959 1.1378 0.978 0.4892 0.4988 1.0899 0.9744 1.338 1.2216 1.4839 1.4415 0.2985 0.4989 1.2963 0.5785 1.262 1.1871 0.7518 0.56 1.6376 1.022 0.805 1.4361 1.3234 1.0866 1.2685 0.3448 2.0616 1.168 1.5586 0.8284 0.8205 1.2501 1.0926 1 1.6148 1.1712 0.5667 0.9415 0.7173 0.9828 0.8098 1-pentadecanoylglycerophosphocholine (15:0)* 0.8155 0.5893 1.1866 1.0172 1.025 0.5981 0.4234 0.5456 1.2147 2.917 1.6609 0.9336 0.7997 2.0952 1.216 0.9627 0.8976 0.9828 0.5654 1.822 1.8728 0.7394 1.3625 1.2629 1.3773 0.935 2.2874 0.5861 1 0.1869 0.3998 1.8507 1.2024 1.12 1.0125 0.4654 0.7384 1.1147 0.5086 1.0766 1.6213 1.2696 0.8613 0.8499 0.7277 1-stearoylglycerophosphocholine (18:0) 1.0033 0.5091 1.3598 0.8259 1.0006 0.7697 0.5428 0.6104 1.2579 1.163 0.759 1.2995 0.8995 0.9449 0.7122 1.0421 0.9803 1.1344 0.7319 1.0341 1.0853 0.9163 1.2963 0.9601 1.1207 0.9994 1.5183 1.0928 0.7668 0.269 0.5269 1.2835 1.1936 1 1.1021 0.823 0.9404 1.0089 1.032 0.5786 1.2508 1.1531 1.0804 0.6422 0.7182 1-stearoylglycerophosphoethanolamine 0.7622 0.454 0.9257 0.8293 0.8573 2.585 0.9166 0.5974 0.9623 0.7977 2.2561 1.7878 2.5254 0.7132 0.9573 0.7814 1.1591 1.327 1.632 2.5327 1.3544 1.1164 1.971 0.8608 1.6956 0.9059 1.2372 1.0377 0.7963 0.2956 1.2633 1.0432 1 1.0873 1.5651 1.6451 0.8194 0.6011 1.816 0.7446 0.7035 1.0127 1.017 0.6235 0.7974 1-stearoylglycerophosphoinositol 0.5909 0.5713 0.0782 0.4634 0.5672 2.4628 1.5648 0.4828 0.9643 1.2697 1.713 1.4878 1.5648 1.4516 1.2142 0.6678 0.9718 0.331 1.7809 1.3799 0.5507 1.0873 1.1456 0.763 0.9949 1.7874 1.0051 0.509 0.8938 0.0962 1.8722 0.824 2.0607 1 1.0282 1.5977 0.8475 1.2032 1.8519 1.0394 0.2073 0.9375 0.7219 0.822 1.1618 21-hydroxypregnenolone disulfate 2.5376 0.5761 0.6852 2.4417 1.0326 1.5051 0.9675 0.325 0.757 0.6593 0.7036 0.2146 0.1257 0.1104 0.7078 0.5727 1.5381 0.5689 0.817 2.8384 2.8985 1.0325 1.332 2.9499 3.8447 2.2527 2.1103 1.7663 2.0403 0.7024 1.3903 0.7786 1.5996 0.7973 0.6587 1.2943 1.373 1.5557 0.7837 0.5001 1.3163 1.0169 0.5623 0.9063 1 2-aminoadipate 0.9506 0.9776 0.2653 1.2293 0.5409 0.8344 3.1459 1.0123 1.8997 1.1172 2.7033 1.2008 1.8715 2.7288 1.6121 0.9336 1.1516 0.6633 0.5296 0.7698 0.5794 0.6913 1.0623 0.2569 0.6595 1.5664 1.1264 0.9877 1.7216 0.2936 1.211 1.0116 1 1.0658 1.0681 0.2989 0.7345 0.8805 2.3553 1.0174 0.2535 0.8612 1.1291 0.8392 0.7478 2-aminobutyrate 1.0064 0.8618 0.8416 1.306 0.8017 1.0173 0.6412 1.295 1.181 0.6984 1.1509 1.6413 2.4959 1.3723 1.7235 1.2368 1.4395 0.7752 0.9936 0.677 0.8657 1.0637 0.944 0.9505 0.6487 0.6692 1.0792 0.9831 0.7753 0.7779 1.6275 1.031 1.6775 1.6177 1 0.8776 0.8458 1.1325 1.386 1.2341 0.7198 0.7422 0.9095 1.107 0.9244 2-aminoheptanoate 1.0924 1.552 1.3133 1.1949 1.5133 0.313 0.2829 0.3379 0.8297 0.6724 0.7165 0.8548 1.0857 0.8612 0.9143 1.3938 1.9945 0.8351 1.5135 1.8851 0.5932 1.2688 0.8298 0.7671 0.6639 1.9463 1.8903 1.7226 1 0.7292 2.6213 0.4483 1.5715 1.1685 0.9354 2.4355 1.5535 1.337 0.7058 0.6917 0.8071 1.7518 0.2252 0.4335 1.1011 2-aminooctanoate 1.3543 0.8143 3.4923 2.1787 2.0291 0.6368 0.5483 2.5292 2.9577 0.6108 0.9091 0.6983 0.735 1.2705 1.689 0.5467 0.3141 0.5922 2.2331 1.4121 0.4809 1.0909 0.6762 0.4575 0.1993 1.9208 3.5315 1.9557 0.7501 0.6545 4.5598 0.9184 3.0212 2.4226 1.7311 1.0504 0.5406 1 1.5644 1.9375 0.9147 6.0338 0.1556 0.2084 0.3095 2-aminophenol sulfate 0.3892 0.5899 1.7728 0.3892 1.2641 0.3892 0.3892 0.3892 0.3892 0.3892 0.3892 1 2.2271 0.3892 0.3892 0.3892 0.8775 0.3892 0.3892 0.5815 0.3892 0.3892 0.3892 0.3892 0.7133 3.5918 1.8796 0.3892 0.3892 0.3892 0.3892 0.3892 0.3892 0.3892 0.3892 0.3892 1.4151 0.3892 0.3892 0.3892 0.3892 0.5849 0.3892 0.3892 0.3892 2-arachidonoylglycerophosphocholine* 0.8412 1.0159 1.1187 1.0091 0.9972 0.656 0.7685 0.6999 1.0794 1.4716 0.9637 1.294 1.0028 1.3205 1.1314 0.569 1.1 0.6981 0.6303 0.9307 0.8501 0.665 0.7939 0.8621 1.2181 1.5684 1.6333 1.0234 1.1985 0.5074 0.7445 0.8805 2.6346 1.4684 1.8872 0.6245 1.1243 1 1.4347 0.8093 1.0124 1.1452 0.7829 0.9028 0.8947 2-arachidonoylglycerophosphoethanolamine* 0.5311 0.3626 0.4657 0.9388 0.823 1.4237 1.1146 0.8209 1.2454 0.7355 1.4785 1.1276 1.5813 1.4278 0.9865 0.6501 1.1846 0.4978 1.2055 0.7861 1.044 1.1873 1.0268 0.9571 0.8066 1.4213 1.0058 0.9942 0.3519 0.3519 0.9595 0.572 1.4181 1.1629 2.0515 1.5889 1.0405 0.7655 1.3494 1.1645 0.3591 0.9504 0.3649 1.1054 0.8703 2-docosahexaenoylglycerophosphocholine* 0.5298 0.7515 1.0822 0.7387 0.929 0.6359 0.9828 0.8133 0.9721 1.272 0.8404 2.0984 1.5863 1.0948 0.8656 0.6599 1.4354 0.826 0.5362 1.3264 1.3279 1.0172 1.305 1.4075 2.4555 1.0213 1.3671 0.7431 1.2149 0.6052 1.2338 0.6107 2.3649 1.8892 1.7885 0.8594 1.3467 0.7727 1.2885 0.8091 0.83 1.3487 0.65 0.8058 1 2-docosahexaenoylglycerophosphoethanolamine* 0.5094 0.2584 0.5401 0.7065 0.437 1.9121 1.0087 0.7301 1.034 0.9704 0.8927 2.5127 1.9135 1.4413 0.8276 0.693 1.2059 0.474 0.7935 1.9401 1.4295 0.9913 1.3796 1.4528 1.8815 1.338 1.0263 0.5831 0.3502 0.5716 1.4367 0.5399 1.0774 1.7608 2.232 1.649 0.8731 0.8615 1.0351 1.6054 0.3902 0.7077 0.7226 1 1.2146 2-docosapentaenoylglycerophosphocholine (22:5n3)* 0.1562 0.7476 0.8745 0.2898 1.1218 0.4629 1.5313 0.1562 1.131 2.0705 1.8048 0.1562 0.7154 0.5055 0.3672 0.3636 0.8782 0.8317 0.7416 1.4747 1.6249 0.1562 0.1562 2.765 1.9182 0.1562 2.9944 1.1919 0.8139 0.1562 0.7194 0.9729 1.8861 1.6419 1.8662 0.8531 0.1562 0.5637 1.3897 0.7767 1.1521 1.3478 1.0571 1.0271 0.585 2-eicosatrienoylglycerophosphocholine* 0.9924 0.6894 0.7878 0.955 1.0766 0.7074 0.7912 0.5867 1.2512 1.6176 1.019 1.2906 1.0241 1.0437 1.0076 0.6302 0.8048 0.7701 0.4728 1.2449 1.2201 0.8363 1.0942 0.5979 1.0759 1.8305 1.161 0.7727 1 0.1794 0.3253 1.5175 1.3903 0.9065 1.3162 0.6371 1.1952 1.017 1.1539 0.7389 0.9918 1.3704 1.0309 0.8415 0.7112 2-ethylhexanoate 0.9588 0.9748 1.0451 0.9874 0.8808 1.0566 1.0724 0.8814 1.0497 0.9897 0.9766 1.1912 1.0893 1.0451 1.1221 0.6241 1.0759 0.8923 1.0103 1.0809 0.8568 0.8991 1.1155 1.0235 0.9712 1.133 0.9162 0.9119 1.1181 0.8191 1.0314 1.092 1.0913 0.99 0.926 1.0086 1.1238 0.8574 1 0.9408 0.9004 1.0371 0.8311 0.968 1.0077 2-ethylphenylsulfate 0.1738 0.1738 0.1738 0.1738 0.1738 0.1738 0.1738 0.1738 0.1738 0.1738 0.1738 0.1738 0.1738 0.1738 1 0.1738 0.1738 0.1738 0.1738 0.1738 0.1738 0.1738 1.7431 1.5466 0.7582 0.1738 0.1738 0.1738 0.1738 0.1738 0.1738 0.1738 0.1738 1 0.1738 3.6387 0.1738 0.1738 0.1738 0.1738 0.1738 0.1738 0.4499 0.4272 1.3819 2-hydroxy-3-methylvalerate 1.2911 1.6386 1.1586 0.7217 1.4479 0.144 7.5981 0.7861 2.1991 0.4647 0.8266 0.7775 1.0999 2.4387 1.5847 0.9491 1.3476 0.9699 0.637 0.5555 1.0103 0.9744 0.7462 0.5804 1.056 1.5905 0.9897 1.6734 0.5339 0.5384 1.0719 1.1866 0.7238 1.1273 0.8329 1.1118 1 0.6326 5.4832 1.2328 0.5544 0.6376 2.2998 0.7133 1.2719 2-hydroxyacetaminophen sulfate* 0.3962 1.6038 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 0.3962 1 0.3962 0.3962 0.3962 2-hydroxybutyrate (AHB) 0.8839 0.755 0.4592 2.3078 0.837 5.0654 5.3279 1.8009 1.1341 0.8118 0.941 2.9931 3.952 1.829 2.5838 1.268 1.5258 0.7132 1.0569 0.5084 0.944 1.065 1.056 0.6593 0.8749 0.6553 0.6655 0.795 1.032 0.7419 1.2597 1 1.088 0.8934 1.089 1.4218 0.801 0.6625 1.1725 1.1772 0.601 0.541 0.7596 1.2759 0.5766 2-hydroxydecanoate 0.9779 1.9264 1.9475 1.0172 2.9958 0.441 0.4406 0.4685 0.9714 0.5898 0.6828 0.817 2.9306 0.9123 0.845 1.5125 0.8907 1.0481 1.2739 1.614 0.6933 0.8761 1.6508 2.758 2.0677 0.9828 1.691 2.4102 0.4936 0.4824 1.6132 0.5807 2.2805 1.5959 2.2933 0.8296 0.8161 1 1.4059 1.3091 0.7157 1.2072 0.4756 0.568 1.3141 2-hydroxyglutarate 2.4314 1.2902 0.7434 0.7394 1.3864 2.4213 0.797 0.5143 0.9991 1.0009 1.7609 0.6437 1.5686 1.2622 1.3776 0.5143 0.9877 0.5143 0.6456 0.858 0.5295 0.702 1.0073 1.088 0.9869 1.4567 0.9774 1.0178 1.7557 0.5143 1.3475 1.5594 0.8372 0.9629 0.6649 1.0212 0.5143 1.4588 1.5049 0.6734 0.7308 0.6759 0.9788 0.5143 2.0957 2-hydroxyhippurate (salicylurate) 2.1348 0.3855 1.4535 0.118 0.4121 4.0155 0.118 0.4591 1.5161 1.2929 0.9188 0.5512 6.5548 6.6561 0.7975 1.0039 0.4191 1.659 1 1.7467 0.3908 0.5014 0.118 0.118 1.1335 0.7533 0.4988 2.8065 0.7209 0.118 0.407 0.333 6.5686 2.8383 0.8764 0.3585 0.118 1.349 0.3669 1.0337 6.3327 1 0.118 0.118 1.0955 2-hydroxyisobutyrate 0.9763 0.9372 0.6296 1.2138 0.9436 1.2605 1.0866 1.0056 0.8735 1.5823 1.5543 1.1983 2.3387 1.7618 1.3922 0.5274 0.8827 0.9944 0.9782 1.4236 0.4051 1.2521 1.1206 0.9461 0.971 0.4768 1.1246 0.7011 0.6365 0.4051 2.0589 0.6602 1.2055 1.0214 1.1729 1.1572 0.4051 0.7574 0.9389 1.3452 0.719 1.2382 0.6132 0.8324 1 2-hydroxyoctanoate 1.5657 1.0355 3.1286 1.1628 1.1871 0.4729 0.3908 1.0501 1.2113 0.2856 0.6391 0.6536 0.9956 0.9933 1.0785 0.7309 0.2728 0.8088 1.6989 0.9664 0.7224 0.8283 0.815 1.1315 1.0044 1.1935 1.5712 3.5516 0.5339 0.4301 2.2572 0.5987 1.5257 1.0875 1.0013 0.63 0.437 1.3144 1.4678 1 1.1643 1.8052 0.5385 0.3891 0.724 2-hydroxypalmitate 1.08 0.9227 0.6455 0.7902 0.6778 1.2696 1.3902 0.6728 1.0002 1.1611 1.0335 1.4616 2.3879 1.1851 1.1821 0.6016 0.9998 0.6662 0.7787 1.0403 0.9524 1.2212 1.1085 0.6253 0.88 1.1516 0.8793 0.7641 1.5036 0.6182 1.268 1.2116 1.3762 1.5825 0.9392 0.7174 1 0.5872 1.683 1.2458 0.5539 1.0138 0.9104 0.4884 0.9921 2-hydroxystearate 0.7663 0.8369 0.6167 0.7543 0.4993 1.2346 0.9687 0.7819 1.2578 1.5084 1.197 1.8433 2.0458 1.1152 1.1018 0.7781 1.1087 0.6619 0.8548 1.3681 1.0455 1.1455 1.1163 0.904 1.0126 0.9004 0.9874 0.8109 1.1436 0.6455 1.0901 1.3056 1.3968 1.0262 0.8433 0.908 1.114 0.6476 1.6527 1.0699 0.6214 0.8879 0.8658 0.6932 1 2-isopropylmalate 0.6245 0.9921 1.4372 1.0623 0.4861 1.8568 0.0744 0.5864 1.467 0.0744 1.553 0.4918 0.0814 1.0306 0.6718 0.0744 1.3298 1.0056 1.3435 0.9944 0.5978 0.5237 1.576 1.5825 1.9881 0.5254 0.9199 1.389 0.3773 0.0744 1.9476 0.0744 1 0.3597 0.9246 2.3013 0.7534 1.4815 1.1529 1.9529 0.2195 1.2451 0.2596 2.485 0.8261 2-linolenoylglycerophosphocholine(18:3n3)* 0.3999 0.1894 0.1894 0.1894 1.8979 2.9869 1.1479 0.1894 1.0626 2.3199 2.5819 0.1894 0.4592 0.1894 0.4221 0.5245 0.1894 0.1894 0.1894 0.1894 0.656 0.1894 0.9319 0.704 1.491 1 3.5637 0.4782 0.1894 0.1894 0.1894 1.0017 0.9133 1.0904 1.7001 1 0.7787 0.1894 3.0158 0.1894 0.1894 0.1894 3.552 0.4314 0.8245 2-linoleoylglycerophosphocholine* 1.056 0.7126 2.2682 0.9949 1.2126 0.7513 0.8688 0.6862 1.2026 1.0051 0.7985 1.1438 0.9215 0.6593 0.6926 0.7764 0.8907 0.7973 1.0218 1.1325 1.0595 0.8507 1.9708 0.7503 1.8243 1.2489 2.4758 1.9378 1.0956 0.2729 1.0116 0.8244 2.0098 0.7159 1.3831 0.7555 0.8021 1.1541 1.1655 0.5326 1.046 1.7322 1 0.6528 0.7169 2-linoleoylglycerophosphoethanolamine* 0.8923 0.0949 1.2466 0.7186 0.9999 2.4637 1.0451 0.4114 1.2517 0.2292 1.214 1.0585 2.0453 1.0001 0.575 0.4489 0.6442 0.1563 0.6986 1.8137 0.7672 0.7539 2.7401 0.6691 1.829 1.3066 1.9221 3.0052 0.5517 0.0949 2.0374 1.17 1.0508 0.5306 1.7184 2.9413 0.8579 1.1429 1.6302 0.6427 0.2976 2.2855 0.9492 0.7109 0.5319 2-methoxyacetaminophen sulfate* 0.5207 0.6871 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 1.3129 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 1.4793 0.5207 0.5207 0.5207 2-methylbutyrylcarnitine (C5) 0.6726 1.6285 0.8085 0.6735 0.8349 1.2674 1.0782 0.9327 1.9945 0.61 1.1859 0.7194 2.0209 2.1367 1.8346 1.0885 0.7843 0.7425 0.4775 0.6787 1.4841 0.5688 1.0275 0.8307 0.9725 1.4465 1.3878 1.4532 0.5882 0.1078 1.1528 1.2292 1.3854 1.0268 1.2905 0.5011 0.7685 1.3177 1.1252 1 1.0753 0.543 0.8332 0.9457 0.6951 2-myristoylglycerophosphocholine* 1 0.3747 0.5887 0.4513 1.0902 1.9166 1.0063 0.0968 1.2133 2.5652 1.0102 0.577 1.2594 0.0968 0.7249 0.625 0.933 0.3528 0.0968 1.0914 2.4922 0.0968 0.6773 0.6252 0.4891 1.339 2.2735 0.0968 0.8852 0.1894 0.0968 1.5143 1.263 0.0968 1.9419 0.3717 0.8588 1.5535 1.1883 0.2023 1.0352 0.0968 2.4673 0.747 1 2-oleoylglycerol (2-monoolein) 0.141 0.5308 2.0622 0.1851 0.141 0.1431 0.141 0.2132 0.649 0.6314 0.141 1.4116 0.6616 1.3238 0.141 0.141 0.141 2.8172 0.141 1.4863 1.0141 1 3.0975 0.9611 0.4617 0.141 2.5067 3.2102 0.141 0.141 0.141 0.141 0.141 0.141 1.5676 0.141 0.141 0.141 0.141 0.141 0.4324 0.141 2.0405 0.141 0.141 2-oleoylglycerophosphocholine* 1.6094 0.7456 1.483 0.9514 0.9845 1.6201 2.2709 0.5594 1.0905 1.6119 0.7416 0.8965 0.9828 1.4764 0.9643 0.519 0.9411 0.7051 0.7257 1.0155 1.1739 0.613 1.5162 0.7684 1.2278 1.5394 1.968 1.3076 0.5651 0.2257 0.5025 0.8412 1.1473 1.3378 1.0033 1.1197 1.0278 0.7561 1.1245 0.5504 1.111 1 1.7823 0.7848 0.8902 2-oleoylglycerophosphoethanolamine* 0.963 0.4121 0.7021 1.0359 1.0715 3.3074 2.0784 0.2954 0.8314 0.5502 1.4224 0.7438 1.8289 1.0586 0.2815 0.2488 0.5696 0.1222 0.9641 2.0036 1.171 0.6894 3.3478 0.7395 1.7811 1.6945 1.4729 2.3414 0.87 0.1222 1.6886 0.8101 0.91 0.5673 2.0652 2.1669 0.7905 1.3999 2.3425 0.6551 0.3374 1.5268 2.0209 0.9235 1.0765 2-palmitoleoylglycerophosphocholine* 1.3473 0.5212 0.9784 0.1542 0.8223 4.0708 3.6327 0.2518 0.6926 2.8718 1.5135 1.0216 1.1319 1.9346 1.762 0.9271 0.9535 0.6309 0.574 1.2088 1.6268 0.958 1.1852 0.198 0.9536 1.914 2.0377 0.8204 0.4264 0.1635 0.1261 0.9266 1.4042 1.5315 1.5748 1 0.65 1.132 1.4348 0.5011 1.6897 0.598 2.6645 0.4472 1.1765 2-palmitoylglycerophosphocholine* 1.0604 0.7678 1.1813 1.024 1.0986 1.0338 0.6423 0.6448 1.2598 1.6826 0.9097 1.1905 0.976 1.09 0.6376 0.851 0.9057 0.7045 0.7752 1.1585 1.3982 0.6884 1.3365 0.7902 0.9711 1.2041 1.8946 0.7373 0.5554 0.22 0.4411 1.1486 1.0957 1.0613 1.1493 0.6235 0.7736 1.1179 1 0.593 1.2706 1.0069 1.3358 0.6305 0.8382 2-palmitoylglycerophosphoethanolamine* 0.664 0.2476 0.4601 0.4705 0.5282 2.1611 0.8429 0.3171 0.9414 0.8395 2.0528 1.1624 2.4329 1.4615 1.0452 0.7576 1.1507 0.5648 1.2844 2.063 1.4395 0.9548 1.3253 0.7219 1.1479 1.1618 1.6886 0.9493 0.6561 0.113 1.3731 0.8335 1.2505 1.2488 1.4998 1.9659 0.8703 1.188 1.6165 0.9139 0.3689 1.0096 0.8899 0.4202 1 2-piperidinone 3.6114 1.2719 0.7347 1.0418 1.5478 5.8594 1.6205 0.6323 0.74 0.8555 2.7719 0.5352 0.8772 1.0764 1.693 1.1455 2.1205 0.8464 0.9582 0.7331 0.8524 0.8869 1.2886 1.0908 0.6171 0.4351 0.4718 1.1505 0.655 0.5403 0.7314 1.7654 0.5523 2.0714 3.2096 11.4656 1.0212 0.7785 1.6448 0.9014 0.6498 0.6395 5.3717 1 1.2813 2-stearoylglycerophosphocholine* 1.0174 0.5186 1.1312 0.8384 1.1392 0.797 0.6565 0.6695 1.3566 1.2101 0.7874 1.3582 1.0057 0.8759 0.7004 0.9268 0.9943 0.9572 0.7722 1.0629 1.2581 0.8606 1.2065 1.0886 1.3818 1.0317 1.5156 0.8868 0.6003 0.198 0.5902 1.3662 1.1373 1.2851 1.5086 1 1.027 0.8878 1.0377 0.7309 1.5804 0.95 1.3078 0.8146 0.9325 2-stearoylglycerophosphoethanolamine* 0.7382 0.4329 0.4412 0.208 0.8291 2.2027 1.083 0.4658 1.4487 0.9412 1.7175 1.3007 2.9686 2.2903 0.236 0.3468 0.9908 0.9573 1.2004 1.9555 1.1318 1.0092 1.875 1.1008 1.1231 0.9541 0.834 0.8197 0.9126 0.2486 1.2272 0.9265 1.1597 0.9106 1.7684 1.9991 1.0497 0.6948 2.0637 1 0.3398 1.0458 1.0065 0.5766 0.9783 3-(4-hydroxyphenyl)lactate 1.0119 1.1402 0.783 0.9881 1.1271 2.1044 1.7062 0.6583 1.0957 0.7287 0.8286 1.2127 1.4036 1.4001 2.0221 0.7678 1.1609 0.5794 0.8586 0.5758 0.6685 0.7056 0.853 0.5713 0.7773 1.4556 1.2564 1.9062 1.3363 0.2653 1.0969 0.7115 1.3155 1 1.0864 0.9804 0.7172 1.0191 2.8035 0.7747 0.4353 0.7639 1.5354 0.7686 1.058 3-(N-acetyl-L-cystein-S-yl) acetaminophen 0.7885 0.7885 0.7885 0.7885 0.7885 0.7885 0.7885 0.7885 0.7885 0.7885 0.7885 0.7885 0.7885 0.7885 1.2115 0.7885 0.7885 0.7885 0.7885 0.7885 0.7885 0.7885 0.7885 0.7885 0.7885 0.7885 0.7885 0.7885 0.7885 1.0152 0.7885 0.7885 0.7885 0.7885 0.7885 0.7885 0.7885 0.7885 0.7885 0.7885 0.7885 0.9848 0.7885 0.7885 0.7885 3-[3-(sulfooxy)phenyl]propanoic acid* 0.3819 0.6189 0.3819 0.3819 0.3819 1 0.4983 0.3819 1.2828 0.3819 3.058 0.3819 0.3819 0.3819 0.3819 0.3819 0.3819 0.3819 0.3819 0.3819 0.3819 0.3819 0.3819 0.3819 0.3819 0.3819 1.561 0.3819 1 0.3819 0.3819 0.3819 0.3819 0.5396 1.6185 0.3819 0.3819 0.3819 0.3819 0.3819 0.3819 0.3819 0.9559 0.3819 1.3186 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) 0.1186 0.1192 0.7337 0.4403 0.5576 2.0485 1.7085 1.7927 3.1337 0.1086 0.1375 2.6811 6.6653 1.0765 0.8536 0.48 0.4302 1.0614 0.9145 0.9651 1.3711 1.4872 2.6412 2.6784 3.4325 0.0719 1.0349 0.5377 0.2541 0.2895 3.8139 0.8628 2.3885 4.9258 1.8056 1.2226 0.7119 0.5346 1 1.8313 0.7431 1.7788 0.2661 2.9457 0.5836 3-ethylphenylsulfate 0.2571 1 0.2571 0.2571 0.2571 0.2571 0.2571 0.2571 0.2571 0.2571 0.2571 0.2571 0.2571 0.317 1.1914 0.2571 0.2571 0.2571 0.6442 0.2571 0.2571 0.2571 0.2571 1.3163 4.3978 0.2571 0.2571 0.2571 0.2571 0.2571 0.5186 0.2571 1.1233 1.7403 0.2571 3.3047 0.2571 0.3946 0.2571 0.2571 0.2571 0.3766 0.3211 1.7557 1 3-hydroxy-2-ethylpropionate 0.7718 0.0731 0.0731 0.8983 0.1836 2.5879 2.8281 1.1292 1.7227 2.257 2.0279 1.5637 1.7145 2.3163 1.9096 0.7664 0.9452 0.2812 0.9033 0.0731 0.7169 0.8685 0.0731 1 1.6247 0.9751 0.6307 1.1341 0.1483 0.0731 1.19 0.4923 1.291 0.8885 1.3106 1.0867 0.9133 1.1996 0.7751 1.1969 1.3083 0.5242 0.66 1.6625 0.8664 3-hydroxybutyrate (BHBA) 1.5003 0.7086 0.718 0.6818 0.5174 3.7617 21.611 1.5937 1.9298 1.7666 0.6354 3.535 3.5137 0.9325 1.0475 0.7624 1.1617 0.7593 0.8659 0.6938 1.0734 2.9392 0.7512 0.5905 1.0138 0.8141 0.9862 1.9399 0.7035 30.8103 1.0984 1.0455 0.466 5.0511 0.6644 1.4679 1.4756 0.8521 0.6636 1.1339 1.7469 0.7124 0.4067 1 0.9753 3-hydroxydecanoate 0.922 1.1011 0.6538 0.8223 0.6771 1.0816 4.3809 1.0347 0.6557 1.2247 0.5565 2.3347 2.1417 1.3691 1.126 1.3382 0.6854 1.129 0.7934 0.4863 0.9653 1.6659 1.2474 0.8054 0.6831 0.944 0.5489 1.3953 1.3019 3.5044 1.6543 1.1715 0.817 1.331 1.5861 0.603 0.7775 0.546 1.5622 1 0.896 0.5995 0.928 0.9575 8.6041 3-hydroxyhippurate 0.2066 1.8463 4.8391 0.2066 0.9061 0.2066 0.3783 0.2066 2.1016 1.664 0.2066 1.0768 0.6925 1.1659 0.2066 0.5158 0.3185 0.2066 0.2066 0.8592 0.9232 0.2066 0.4135 0.2066 1.7037 3.5521 2.902 0.2066 0.5685 0.2066 0.2066 0.9743 0.3315 2.4608 0.8462 0.2066 0.2066 0.8433 1.2976 3.5981 7.1159 1 1.7562 0.2463 2.124 3-hydroxyisobutyrate 0.8157 0.8779 0.5552 1.2476 0.7979 1.9424 1.7523 1.253 1.8415 0.8237 0.8011 1.2861 2.3233 1.7164 2.1323 0.9648 1.5995 0.6956 0.7655 0.5873 0.947 0.6501 1.5058 0.8824 1.0352 1.1539 0.9299 1.0963 1.6663 0.5595 0.8737 1.0006 1 0.9901 1.1936 1.1213 0.7827 1.1089 1.2187 1.2434 0.8989 0.7446 0.827 1.3322 0.9882 3-hydroxyoctanoate 1.0405 2.1812 1.016 1.437 0.5753 0.9033 3.2986 0.969 0.5665 0.8204 0.7125 2.3333 2.3857 2.1861 1.1747 0.8465 1.2912 0.7585 1.0496 0.6766 0.5588 1.1644 1.8957 0.984 0.9207 0.9706 0.4545 1.9087 0.6493 5.1367 2.1063 1 0.7805 1.8452 1.3319 0.6745 0.5775 0.3505 1.5591 1.0735 0.5642 0.9526 0.5657 1.1493 5.5971 3-hydroxypropanoate 1.1583 1.1289 1.0572 0.6611 0.8011 1.5769 1.6044 0.8242 0.8585 0.9323 0.8307 0.9565 1.0235 0.9929 0.8162 0.9185 0.9595 0.6526 0.7829 1.0815 1.0071 1.1283 0.9748 1.1585 1.1155 1.2459 1.2176 1.0677 1.426 1.2809 0.5847 1.1973 0.7541 0.9861 1.0833 1 0.9469 0.9389 0.9663 1.5727 1.2813 1.0129 0.9421 0.9672 1.3352 3-indoxyl sulfate 2.0587 1.3764 0.2498 1.5072 0.9966 1.0212 0.673 1.1928 0.8106 0.8132 1.1598 0.6714 1.8883 0.6736 2.3445 0.666 2.4921 0.4409 0.373 0.5339 1.0776 0.8204 1.6859 1.0034 1.1602 0.844 1.3869 0.677 1.4535 0.0238 1.7428 1.1618 0.7523 1.7266 2.1061 0.8598 1.6353 0.8137 0.8171 0.9133 0.93 0.8775 1 1.9903 1.0996 3-methoxytyramine sulfate 0.3147 1.1885 0.3147 0.3147 0.3147 0.3147 0.3147 0.3147 0.3147 0.3147 0.3147 0.3147 0.3147 0.3147 0.8115 0.3147 0.3147 0.3147 0.3147 0.394 3.2089 0.3147 0.4577 0.3147 1.7439 0.3147 0.3147 0.3147 0.3147 0.3147 0.3147 0.3147 0.3147 0.3147 0.3147 1.6853 0.3147 0.3147 0.3147 0.3147 0.3147 0.3147 0.3147 0.3147 0.3147 3-methoxytyrosine 1.1829 1.428 0.9336 0.8522 0.9981 0.4061 0.5846 0.8249 1.6952 1.0035 0.9769 0.9086 0.9834 1.9364 1.5032 0.7712 0.5134 1.1937 1.5478 0.7841 1.4058 0.4537 0.5829 1.3308 1.2593 1.9959 1.6016 1.0019 1 0.9441 1.3796 0.7457 1.7515 1.4883 0.8412 1.4878 1.4368 1.3631 1.3892 1.0278 0.7802 0.949 0.5549 0.2241 0.9935 3-methyl catechol sulfate (1) 1 1.7747 0.6747 0.0645 0.3166 0.0645 0.0645 0.3917 1.7334 0.1605 0.9805 0.6403 0.9167 5.5108 13.624 0.1897 0.0645 0.294 7.9762 1.0178 0.9218 0.3114 2.7852 1.4972 13.7544 3.3878 1.3108 5.4241 0.0645 0.0645 1.4698 0.0645 1 1.5545 0.4523 3.1597 0.1276 0.7012 0.5272 0.6418 0.0645 1.4561 1.0321 0.9785 1.0661 3-methyl-2-oxobutyrate 1.0747 1.0097 0.7439 1.0567 0.7431 1.3141 1.2296 0.8244 1.3303 0.9959 0.8869 0.9391 1.8339 1.622 1.3212 0.9076 1.108 0.6707 0.8599 0.6975 0.9579 0.8856 1.1376 0.7837 0.9489 1.0041 1.0589 1.0914 1.1241 0.516 1.4508 1.1354 1.1733 1.0458 0.9893 1.3717 0.8063 1 1.8856 1.2869 0.5951 0.7632 0.9161 0.8462 0.7552 3-methyl-2-oxovalerate 1.5072 0.9426 0.8433 1.0376 0.9363 0.9206 1.7545 0.7686 1.5783 0.9259 1.1074 1.228 2.1308 1.2807 1.0628 1.1789 1.3399 0.8217 1.0062 0.6659 0.9734 0.6653 1.4513 0.7969 0.9938 0.8754 1.3558 0.7603 0.8327 0.4286 1.2869 1.1948 0.9202 1 1.127 0.8861 0.8822 1.0466 2.5223 1.2631 0.6252 0.5405 1.4277 1.0196 0.6631 3-methylglutarylcarnitine (1) 0.2905 2.4314 2.1526 0.7621 0.2905 0.2905 0.8761 0.2905 1.2781 0.3887 0.2905 0.762 2.2414 0.2905 7.6028 0.2905 1.9028 0.2905 0.2905 0.7183 0.864 0.2905 1 0.9144 0.4325 1.3014 2.6706 0.2905 0.2905 0.2905 0.2905 0.2905 1.3459 1.6253 0.2905 1.0648 0.7822 0.2905 0.2905 1 0.2905 0.412 0.2905 0.2905 0.2905 3-methylhistidine 0.4671 1.1124 0.2963 10.3989 1.1048 18.3619 0.772 0.7672 1.7044 0.6769 2.4954 5.9029 1.0891 4.7774 0.6035 2.7933 0.5324 1.6862 0.4379 1.0446 0.2464 0.7575 0.9554 3.9009 0.4524 0.929 1.1625 0.2254 0.4675 0.2254 84.4629 0.9137 3.2405 0.6393 4.4093 10.2334 1.1484 1.0333 1.3164 0.5562 0.6321 0.9667 0.592 2.6011 0.6187 3-phenylpropionate (hydrocinnamate) 0.9935 0.6162 1.3023 0.5611 0.4414 0.5267 0.0715 0.3828 1.3101 1.4857 1.3761 0.5979 0.526 1.0065 0.9841 1.3138 1.1135 0.4163 1.5406 1.3518 1.2896 0.6314 1.3172 0.8535 1.8157 1.1327 0.8106 1.4452 1.8406 0.0533 0.7701 2.155 6.3228 0.7562 3.2824 0.2982 0.6773 1.5355 0.5528 2.2086 1 1.4226 0.5132 0.4014 1.6389 3-ureidopropionate 1.0034 3.1979 0.2705 0.9945 0.2705 4.3832 4.148 0.2705 1.3335 0.9966 1.8833 0.7771 0.6314 1.1617 1.5457 0.2705 3.3386 0.4481 1.1057 0.6981 0.6174 0.3797 1.1069 0.6966 0.7155 0.84 0.9044 1.0861 0.2705 1.54 1.2212 0.2705 1.2626 0.2705 0.2705 2.3823 0.5571 0.3166 1.4263 1 0.2705 0.8881 0.7913 1.0684 0.9005 4-acetamidobutanoate 1.1547 0.6509 0.473 0.9262 0.1133 1.8814 0.1133 1.2421 0.1767 0.8445 2.1801 1.0505 1.8162 1.8697 2.6719 1.1934 0.3929 1.1224 1.2569 0.4826 0.9495 1.2792 0.1133 0.6931 0.3424 0.7651 0.6915 1.3901 1.0081 1.2407 2.2938 0.3132 0.9919 0.7493 0.7321 1.5021 0.1133 0.1706 1.3984 0.3971 1.1758 1.163 0.5899 0.1133 0.1133 4-acetamidophenol 0.0307 1 0.0307 0.0307 0.0307 0.0307 0.0307 0.0307 0.0307 0.0307 0.0307 0.0307 0.0307 0.0307 2.3464 0.0307 0.0307 0.0307 0.0307 0.0307 0.0307 0.0307 0.0307 0.0307 0.0307 0.0307 0.0307 0.0307 0.0307 0.2753 0.0307 0.0307 0.0307 0.0307 0.0307 0.0307 0.0307 0.0307 0.0307 0.0307 0.0307 1.7247 0.0307 0.0307 0.0307 4-acetaminophen sulfate 0.0042 1.4139 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.5861 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 1.9958 0.0042 0.0042 0.0042 4-acetylphenol sulfate 0.3574 0.3461 0.3461 0.3461 0.3461 0.3461 0.3461 0.3461 0.854 0.3461 0.3461 0.3461 0.3461 0.3461 1.0743 0.3461 0.3461 0.3461 0.8319 0.3461 2.4985 0.3461 1 0.3461 22.3892 0.3461 0.3461 1.2384 0.3461 0.3461 0.3461 0.3461 0.6319 1.3742 0.8904 0.3461 0.3461 1.1096 0.3461 0.3461 0.3461 0.3461 0.3461 0.3461 0.3461 4-allylphenol sulfate 4.7771 1.4197 10.8809 0.4054 0.2199 6.0707 0.5336 0.0346 0.8557 0.0346 0.0346 0.1869 1.3908 1.2741 1.0001 8.6869 0.4622 5.1795 0.9999 1.1694 2.6731 2.7822 0.0907 0.6718 0.5495 0.1138 6.3959 0.4005 0.6195 0.0346 0.5517 3.9503 0.4028 9.4298 1.0542 4.1893 0.4335 3.9929 0.2421 8.4156 0.2741 3.4409 0.9458 2.0953 0.1035 4-androsten-3alpha,17alpha-diol monosulfate (2) 3.7904 0.4676 0.0736 3.1105 0.0736 0.6631 0.2846 1.1848 2.4994 0.9435 0.9643 0.0736 0.0736 1.0727 0.6115 1.4584 0.9687 0.4465 0.8039 1.2756 0.5377 0.3584 1.0313 0.2547 1.8849 2.9186 3.0992 1.1637 0.32 0.0736 0.7979 3.2824 2.5546 0.0736 1.2259 0.7775 3.5043 0.6365 1.7664 0.0736 0.6887 1.2021 0.0736 1.2578 0.143 4-androsten-3alpha,17alpha-diol monosulfate (3) 0.4114 0.9981 0.5426 2.3508 0.9195 2.0371 2.1784 0.3977 0.8053 0.8085 0.6407 0.1251 0.1523 1.4353 1.6763 0.6925 1.2269 1.0019 1.1367 1.9089 1.4953 0.8403 0.8713 1.4345 1.2239 2.1691 4.7203 0.686 1.0127 0.1251 0.5549 0.9554 1.8543 0.8656 1.538 0.8644 0.664 1.9866 0.9873 2.0818 0.7955 1.1383 1.2532 0.3872 1.1472 4-androsten-3beta,17beta-diol disulfate (1) 2.172 1.0611 0.4701 0.9208 1.4919 17.6194 17.1923 0.6686 1.0836 0.9884 0.7722 0.6481 0.6096 0.2798 0.2117 0.3958 1.1195 0.6132 1.0116 1.6362 1.3371 0.5762 0.5327 0.88 1.0729 3.1606 2.0259 2.5519 0.5186 0.0033 0.2239 0.5453 0.405 1.7019 2.3915 6.9019 0.4739 1.0019 7.1538 0.5867 1.0883 0.531 4.9711 1 1.5076 4-androsten-3beta,17beta-diol disulfate (2) 2.657 0.9609 0.6758 1.3221 0.7572 1.3411 1.4227 0.4361 1.0739 1.05 0.905 0.196 0.1568 0.316 0.4692 0.8317 1.368 0.4217 0.5299 1.2535 1.0391 0.5224 1.0931 0.5508 1.2727 2.7346 1.5845 1.2868 0.6269 0.0678 1 0.8225 1.4252 0.9625 1.2593 1.4307 1.1235 1.4029 2.7222 0.917 2.4987 0.645 1.0737 0.8861 0.4766 4-androsten-3beta,17beta-diol monosulfate (1) 1.0402 0.893 0.2065 1.3218 0.5767 9.5207 8.6323 0.9598 1.593 1.29 1.3691 0.3511 0.3211 0.4225 0.5528 0.7197 0.8776 0.6421 0.7602 3.471 2.6795 0.7794 0.8015 1.6578 1.315 2.3147 1.8755 1.385 1.0262 0.2065 0.742 2.1041 0.8177 0.4601 1.3756 4.0316 0.9738 1.2189 3.9412 1.1779 0.7958 0.5355 1.225 0.7852 0.5635 4-androsten-3beta,17beta-diol monosulfate (2) 2.3019 0.3947 0.2626 1.211 0.2626 9.7535 6.7903 0.9456 1.015 0.9683 1.5483 0.985 0.7283 0.5588 0.2878 0.6831 1.4479 0.4808 1.1626 2.663 1.3947 0.7883 0.8159 0.5414 0.2626 2.017 3.1114 1.8913 0.2626 0.2626 0.3674 1.3835 0.3323 0.8035 1.6002 2.7946 0.867 1.0504 8.9105 0.5046 1 0.4105 6.0597 0.8953 1.0683 4-ethylphenylsulfate 0.2614 1.4444 1.2486 0.3928 0.0567 0.2702 0.0567 1.2546 3.6897 0.9265 0.5065 0.8811 1.9023 0.5074 0.5507 1.4158 0.4158 4.2174 1 8.4792 44.0039 0.8827 4.4294 1.2575 1.2046 0.6868 0.5984 1.0039 0.9817 0.0567 0.4797 1.1444 0.9566 2.9884 9.1728 5.9967 0.1502 0.8745 1.8803 2.5426 0.5151 0.8802 1.0183 0.6571 1.6067 4-guanidinobutanoate 0.484 4.1968 1.9784 0.8462 1.7813 0.3844 1.1213 0.899 1 4.1164 0.6182 1.1738 0.7127 0.6619 0.0139 3.9384 0.8215 0.5335 0.651 4.3789 3.8476 0.2967 1.0313 1.4041 2.5591 0.0139 2.4977 0.6222 0.0139 0.687 0.4082 1.7282 0.0244 2.3449 0.0483 1.3431 0.6494 0.9364 1.2786 1.642 0.3146 0.5078 1.3183 1.0636 4.1767 4-hydroxyhippurate 6.6107 1.2875 0.9884 0.3012 0.1224 1.0461 0.2865 0.1617 1.8265 0.9734 2.3149 0.7595 1.4064 2.2946 12.6027 1.0116 0.9835 0.1224 1.7214 0.1224 0.7473 0.464 0.9782 0.4744 8.091 1.7434 0.9624 8.0668 1.1548 0.1224 4.7667 0.6086 1.2184 1.0979 0.8027 0.7536 0.1224 0.1224 1.7926 0.9021 1.7273 0.4226 0.8879 0.7007 1.1308 4-hydroxyphenylpyruvate 0.2223 1.1303 1.2553 0.2704 0.5172 0.2223 0.8699 0.2223 1.0699 0.7172 0.434 1.0073 1.7036 0.2223 0.7328 0.2223 1.4931 0.2223 0.2223 0.7154 1.858 0.2223 0.9927 0.496 1.4471 1.7239 1.0789 0.2223 0.728 0.2223 0.2223 0.8253 1 0.5463 0.8819 1.5328 0.8832 1.1611 1.5869 1.2289 1.0298 1.6244 0.5236 1.8037 0.7729 4-imidazoleacetate 1.172 1.5033 0.9544 0.2278 0.433 0.7175 0.6998 1.1105 0.6144 1.0084 0.9502 0.7384 1.1271 1.752 1.4732 3.1228 0.9871 0.3961 0.4807 1.4642 2.0206 0.2278 0.5772 0.9916 1.4632 2.554 0.4336 1.1219 0.3733 0.2278 1.1771 1.4292 0.5269 1 1.4647 0.7997 1.0248 0.8621 0.8704 0.8086 0.5602 1.1286 1.3014 1.1497 1.5193 4-methyl-2-oxopentanoate 1.1542 0.8016 0.6986 1.0379 0.7134 1.5166 1.5199 0.8464 1.5227 0.7702 1.0338 0.9662 1.8799 1.1462 1.3637 0.9352 1.7654 0.6459 0.742 0.682 0.8105 0.8269 1.5351 0.6156 0.7044 1.1348 1.1413 1.3471 1.3103 0.5413 1.717 1.3353 0.9793 0.8591 1.3641 0.8382 0.9744 1.3035 2.3987 1.1926 0.693 0.648 1.5382 1 0.9364 4-methylcatechol sulfate 1.4105 0.8176 0.3638 0.3363 0.7214 0.2308 1.1826 0.7088 2.0692 0.8855 0.3285 3.005 1.0202 1.3637 3.5059 0.5439 1.0004 0.2218 1.7562 0.7242 1.2562 2.4279 0.9996 0.7125 1.0784 1.8384 1.1536 0.5902 0.5865 0.2218 0.5805 0.4799 4.9474 0.5036 6.5323 0.5873 0.5892 1.2183 1.1526 4.6021 2.9048 0.8474 1.9957 0.3764 6.5951 4-vinylphenol sulfate 1.7775 1.0021 1.9821 0.4984 0.0856 0.6117 0.1682 1.2957 3.3795 0.45 0.7887 0.5465 0.3922 0.2545 3.873 0.2348 0.226 0.6463 1.3043 1.9077 1.9787 1.0189 0.6772 1.2362 3.0512 1.0072 0.9979 4.9715 0.7282 0.0152 0.6513 0.4573 5.2691 2.6302 5.2346 4.8772 0.5987 0.478 4.396 0.8809 1.3206 1.925 1 0.5283 2.5536 5,6-dihydrothymine 1.5785 1.3727 0.6759 0.7987 1.1209 1.3739 0.7428 1.1913 0.8854 1.013 1.3987 0.9865 1.4738 1.2565 0.987 0.8154 0.895 0.7748 1.2406 1.1438 0.5084 1.3093 0.5413 0.4514 0.8686 1.52 1.0845 0.81 1.2881 0.5481 1.405 1.3057 1.2507 1 1.628 1.0978 0.8657 0.8358 1.4272 0.7607 1.0905 0.9792 0.9017 0.5428 0.4264 5,6-dihydrouracil 2.0795 1.3246 0.542 0.7539 0.9676 1.2683 0.8038 1.0719 1.2141 0.9925 1.2027 1.3019 1.4358 1.4502 1.6202 0.8122 0.9315 0.7925 0.9641 1.3963 0.4497 1.1304 0.5884 0.8614 0.8638 2.1026 1.0075 0.6318 1.4692 0.4876 1 1.5845 1.1452 0.8645 1.0033 1.3527 1.1936 0.5904 1.5189 1.1437 0.7443 0.5321 0.8395 0.7183 0.8713 5-acetylamino-6-amino-3-methyluracil 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 1.372 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 0.628 1 0.628 0.628 0.628 5-acetylamino-6-formylamino-3-methyluracil 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 1.3068 0.6932 0.6932 0.6932 0.6932 0.6932 1 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 0.6932 5alpha-androstan-3alpha, 17beta-diol-17-glucosiduronate 1.3576 0.4319 0.4319 0.4319 0.4319 0.4319 0.4319 0.4319 1.9245 0.7615 1.2385 0.4319 0.4319 0.4319 0.4319 0.4319 0.4319 0.4319 0.4319 0.4319 0.4319 0.4319 0.4319 0.4319 0.4319 0.4319 0.4319 0.7383 0.4319 0.4319 0.4319 0.6654 0.4319 0.4319 0.4319 0.4319 0.4319 0.4319 1.8941 0.4319 1 0.4319 0.4319 0.4319 0.4319 5alpha-androstan-3alpha,17alpha-diol monosulfate 0.2025 0.2025 0.2025 1.6685 0.2025 0.2025 0.2025 0.2025 0.2025 0.2025 0.2025 0.2025 0.2025 1.8501 0.2025 0.2025 0.2025 0.2025 0.2025 1 0.3022 0.2025 0.4928 0.2025 0.2025 0.2025 3.5026 0.2025 0.2025 0.2025 0.2025 0.2025 0.543 0.2025 0.7406 0.2025 0.2025 1 0.2025 1.5561 0.2025 0.2025 0.2025 2.1578 0.2025 5alpha-androstan-3alpha,17beta-diol disulfate 4.8455 0.4917 1.1689 1.0104 0.8352 3.4191 3.9913 0.283 1.136 0.6581 0.4179 0.2459 0.2459 0.5991 0.9896 0.2459 0.2459 0.2459 0.2459 0.2459 0.2459 0.2459 0.2459 0.2459 0.2459 1.0719 2.552 0.6997 0.2459 0.2459 0.2459 0.3468 0.9965 0.9373 1.3956 1.0753 0.6699 1.0035 2.8689 0.4784 21.6281 0.2459 2.8005 2.0169 0.4768 5alpha-androstan-3alpha,17beta-diol monosulfate (2) 7.516 0.2885 0.1366 1.3054 0.1366 0.9605 0.5515 0.6492 2.9446 0.1366 0.6043 0.1366 0.1366 3.6898 2.061 0.1366 0.1366 0.1366 0.1366 0.1366 0.1366 0.1366 0.1366 0.1366 0.1366 1 2.7715 0.4769 0.1366 0.1366 0.1366 0.5157 1.5326 0.1366 1.0126 0.1366 1 0.1366 0.8727 0.1366 11.4332 0.2971 0.1366 1.8884 0.1366 5alpha-androstan-3beta,17alpha-diol disulfate 0.1821 0.8574 0.6969 1.2344 1.4496 0.3426 0.0899 0.4817 1.13 1.4095 1.2583 0.1345 0.0899 0.7957 1.243 0.7424 0.9491 0.925 0.2733 1.7482 1.5439 1.4485 1 0.0899 0.0899 4.26 2.2765 0.0899 0.1623 0.0899 1.091 0.4447 1.5651 0.909 1.3571 0.1685 0.2131 1.886 0.4356 4.7296 3.7279 0.1698 0.0899 1.8508 1.6525 5alpha-androstan-3beta,17beta-diol disulfate 10.0667 0.8638 1.204 1.9885 1.1362 38.2251 29.7286 0.8156 2.6035 3.5244 2.6748 0.3741 0.6273 2.1897 2.0572 0.4249 0.6267 0.6874 0.5646 0.6557 0.6327 0.5349 0.8225 0.4236 0.662 2.6306 4.3702 2.054 0.0923 0.0923 0.1099 0.5067 0.7206 2.1445 0.9747 2.5278 0.5165 1.0253 2.8146 0.8652 3.2403 0.3617 3.3696 1.0908 1.5749 5alpha-pregnan-3(alpha or beta),20beta-diol disulfate 0.5107 1 0.5107 3.731 0.8558 0.5107 0.5107 0.5107 0.5107 0.9803 0.8105 0.5107 0.5107 0.6107 8.4137 0.5107 6.4565 27.2959 0.5107 0.7287 1.6407 2.4272 37.7877 0.7674 109.7109 0.5107 0.7755 0.5107 43.4258 0.5107 1.4188 0.5107 0.5107 0.6693 0.654 0.5107 1.1654 3.9862 0.5107 0.5107 2.7191 0.5107 0.6002 0.8346 0.8302 5alpha-pregnan-3beta,20alpha-diol disulfate 2.1347 0.9995 0.8712 1.8658 1.0005 0.4817 0.7176 0.1525 0.5233 0.6543 0.6337 0.2125 0.4214 0.6373 2.1368 1.8269 9.1294 11.5485 0.7157 2.4349 1.687 6.368 23.869 2.4007 81.236 3.6911 0.8793 0.9825 21.5462 0.2247 2.1464 0.3659 2.4799 1.0388 1.1171 0.2046 1.3034 2.3482 0.7089 0.9218 5.7387 0.8438 0.3455 0.8604 1 5alpha-pregnan-3beta,20alpha-diol monsulfate (2) 1.7162 0.44 0.5124 1.6384 0.0677 0.0349 0.1681 0.3041 0.8577 0.4064 0.6472 0.0631 0.2045 1.8198 3.9914 1.4945 2.053 11.1069 0.7379 2.3859 2.8295 2.96 19.7113 1.3436 37.8957 1.1423 0.8451 0.3063 15.8378 0.3293 2.7862 0.9921 3.9616 0.2647 0.4725 0.0349 1.9137 1.3819 0.593 1.1359 4.5806 1.0079 0.3164 0.3587 0.5401 5-dodecenoate (12:1n7) 2.6307 1.3403 0.256 0.8196 0.6162 4.7926 10.4707 1.1767 0.6656 3.079 0.486 2.8151 2.9032 1.5646 1.125 1.7043 0.7352 2.2614 0.9113 0.0025 0.8929 3.6794 0.6908 0.4374 0.0719 0.3684 0.3225 1.0887 1 1.4442 0.493 1.5841 0.371 1.1622 0.4411 0.3157 1.1343 0.3346 1.2096 0.3011 1.7633 0.1384 1.2588 0.5643 2.7469 5-hydroxyhexanoate 1.0956 0.7884 1.7948 0.507 0.4437 4.7051 2.2677 0.0623 0.7531 0.7841 1.4249 0.5466 1.6131 0.0623 1.1692 0.0623 1.4944 0.4421 1 0.9335 0.0623 0.0623 0.8179 0.0623 0.0623 1.2127 0.0623 0.0623 0.0623 0.7809 0.9857 0.9898 1.7093 1.2028 1.1468 3.2943 0.0623 0.3828 0.7779 1.1761 0.0623 1 1.1939 0.7233 1.8018 5-hydroxyindoleacetate 1.1314 1.3054 1.7928 0.1927 0.5788 4.1847 0.1619 0.1619 0.4562 0.633 1.4887 0.7795 1.2948 1.2209 4.7199 0.1619 0.923 0.8497 1.1934 0.6276 4.7489 0.3867 5.1399 1.077 4.9975 0.6348 0.7964 0.334 0.8265 0.1619 2.6686 0.4299 1.1308 0.9443 5.2632 1.242 0.2151 0.1619 0.6827 0.5797 0.1619 1 0.1619 5.8639 1.0624 5-methylthioadenosine (MTA) 0.3911 1.1549 0.3911 0.3911 0.3911 0.3911 0.7261 0.3911 1.1827 1.2988 0.3911 0.3911 1.5569 1.0966 3.7054 0.3911 1 0.3911 0.3911 0.3911 0.3911 0.3911 0.3911 0.5256 0.9395 0.4856 0.9198 0.3911 1.003 0.3911 0.3911 0.3911 0.997 0.3911 0.3911 0.3911 0.3911 0.3911 0.3911 0.3911 0.3911 0.3911 0.3911 0.3911 0.3911 5-methyluridine (ribothymidine) 0.719 1.0137 0.7948 1.1854 1.1077 0.7334 0.6704 0.8082 1.2493 0.7595 0.9476 0.9708 1.5944 0.9912 1.172 0.7627 1.1445 0.6281 1.1362 1.086 0.7824 0.8202 1.0416 0.9149 1.0088 1.0591 1.0437 1.0157 1.1138 0.2346 1.0066 0.8316 1 0.9278 0.6819 1.1613 1.0322 1.0169 1.1557 0.8702 0.1252 1.1819 1.0203 0.5951 0.6255 5-oxoproline 1.4636 1.1688 0.2691 0.9681 1.2488 1.669 1.0402 0.8617 0.5676 1.2234 0.6344 0.9888 0.5258 0.7155 0.8194 30.4889 0.4622 0.9964 1.1773 1.2128 30.3463 1.0401 1.1282 0.9424 1.0036 0.7358 1.6012 0.3743 0.5557 1.0998 0.705 1.1185 0.5454 0.9702 0.6845 1.0838 1.1778 1.2833 1.2446 1.1588 0.9148 0.9711 1.1598 0.8677 1 6-oxopiperidine-2-carboxylic acid 1.462 1.0162 0.4359 1.2321 0.2768 0.3888 0.3866 0.5019 1.064 1.5336 2.5009 0.4408 1.3767 2.2544 1.573 0.9838 1.1775 1.7179 0.6359 0.7813 0.3698 0.7212 1.0277 0.4272 0.8221 1.9344 0.6778 1.0769 2.0092 0.548 1.1728 0.9282 1.5315 1.315 0.5586 0.7138 1 0.6164 1.4 1.9526 0.7253 0.7919 1.7941 0.6613 1.502 7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) 1.5437 0.9995 1.0678 1.1019 0.8318 1.211 0.5728 0.6401 0.9935 0.7253 1.1449 1.1879 2.3331 2.0342 0.9495 0.7854 0.8269 0.9735 1.0005 1.1387 0.5796 1.1533 0.9376 0.8041 1.2363 1.2793 0.9726 1.4547 1.1093 0.3326 2.3687 0.958 1.4738 1.0602 0.5487 1.2135 0.8922 0.5983 1.4624 1.2072 0.4235 1 1.8611 0.7327 0.6247 7-methylguanine 0.6342 1.3593 0.925 0.9465 0.9935 0.2552 1.4386 0.0814 1.2737 1.0065 0.4404 0.9101 1.6577 1.7237 1.8458 0.2123 1.1112 1.1288 0.1388 1.0182 0.9628 0.0751 1.1898 0.8729 1.0337 1.0626 1.5457 0.3885 1.0781 0.1643 0.0712 1 1.0961 0.8476 1.1974 1.7779 0.9962 0.9735 1.7413 0.9068 0.8709 1.2253 1.0774 0.6661 1.1312 7-methylurate 0.5091 0.5091 0.5091 0.5091 0.5091 0.5091 0.5091 0.5091 0.5091 0.5091 1.4569 0.5091 0.5091 0.5091 0.5091 0.5091 0.5091 0.5091 0.5091 0.5091 0.5091 0.5091 0.5091 0.5091 0.5091 0.5091 0.5431 0.5091 0.5091 0.5091 0.5091 0.5091 0.5091 0.5091 1.5873 0.5091 0.5091 0.5091 1.0984 0.5091 0.5091 1 0.5091 0.5091 0.5562 7-methylxanthine 0.272 0.272 0.272 0.272 0.272 0.272 0.9489 0.272 0.272 0.272 1.0511 0.272 0.272 0.272 0.272 0.272 0.272 0.272 0.272 0.272 0.272 0.272 0.272 0.272 0.272 0.272 1.8773 0.272 0.272 0.272 0.272 0.272 0.9231 0.272 1.2539 0.272 0.272 0.272 1.1523 0.272 0.272 1 0.272 0.272 0.6708 acetoacetate 0.7918 0.7524 0.5494 0.6262 0.507 1.0724 6.863 1.4934 1.0765 0.9161 1.5407 1.2337 2.7897 0.7971 2.0164 0.9538 0.9313 0.7089 0.7331 0.4896 0.6004 1.0462 0.6903 1.1053 1.3171 2.1101 1.2473 2.2863 0.7358 6.9547 1.02 1.0028 1.2934 1.7456 1 0.3517 1.3984 0.411 1.5437 0.649 0.5372 0.8507 0.62 0.962 1.3715 acetylcarnitine 0.4794 1.118 0.698 0.9399 0.7292 1.2178 2.095 0.7331 1.3373 1.146 1.0381 1.7284 2.3675 1.5249 1.0861 0.8409 0.993 0.6051 0.4845 0.9428 0.9904 0.7636 1.0087 0.9023 1.007 0.8327 1.5492 1.3274 0.6097 1.2096 1 0.8891 1.0746 1.75 1.1398 1.8906 0.9618 0.7184 1.3219 1.4206 1.0869 0.48 0.5968 0.8565 0.9674 acisoga 1.1123 1.17 1.2207 0.7768 0.6633 0.7464 0.6221 0.382 0.3613 0.8565 0.4452 0.7751 1.5323 3.036 0.7015 1.3961 1.0128 1.0497 0.6081 1.0339 1.3713 0.9116 0.8573 0.9872 1.1321 1.3192 1.1288 1.8585 1.1509 0.0996 1.8809 1.1715 0.6147 0.8898 1 0.5046 0.7193 1.0505 1.2693 0.7567 0.6934 1.1203 1.2613 0.5665 1.2724 adenosine 0.0673 0.0673 0.0673 0.0673 0.0673 0.0673 0.9917 0.0673 1.6529 4.6294 50.6698 1.2591 0.7244 1.4283 16.4297 0.0673 4.7038 0.6975 0.1061 0.0974 0.0981 1 1.1098 3.19 0.0673 0.6522 0.0673 0.0862 0.4148 3.3012 0.284 1.1358 0.8602 0.694 2.3853 0.0673 1.7437 0.0673 0.799 0.0673 2.1683 1.5437 2.4845 0.8642 0.7835 adenosine 3',5'-cyclic monophosphate (cAMP) 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 1 0.7988 1.1162 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 0.7988 adenosine 5'-monophosphate (AMP) 0.0398 0.0504 0.0398 0.0398 0.0398 0.0398 0.1663 0.0398 0.0398 0.0398 1.8134 0.0398 0.0398 0.1866 3.8704 0.0398 8.2418 0.0398 0.0398 0.0398 0.0398 0.0398 0.0398 2.7131 0.0398 0.0398 0.0398 0.0398 0.0398 0.0398 0.9291 3.5109 0.65 0.0398 0.7839 0.0398 2.1449 0.0398 1 0.0398 0.0398 6.1006 0.0398 0.0398 0.0398 adrenate (22:4n6) 1.2925 0.0408 0.0408 0.0408 0.3762 0.1182 3.1669 0.0408 1.605 3.3022 0.0408 0.1015 3.3259 1.2256 0.2348 0.0408 0.0408 1.2539 0.0408 0.1767 0.3871 1.383 1.0888 0.0408 0.0408 0.9112 0.0408 0.1621 2.0118 1.7678 0.1851 0.0408 0.3986 0.0408 0.2893 0.0408 3.1728 0.0408 1.364 1.1753 0.6665 0.0408 1.8547 0.1378 0.8247 ADSGEGDFXAEGGGVR* 0.2592 0.2592 0.2592 0.2592 0.2592 2.2176 0.2592 1 0.2592 0.9629 0.2592 10.1178 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 0.2592 alanine 1.5507 0.6902 0.8118 0.8173 0.829 0.7976 0.6727 0.5243 1.2757 0.6553 1.0016 0.8215 1.4076 1.9198 1.3226 1.6776 1.4978 0.7614 1.0331 1.1163 1.329 0.9984 0.9892 0.9301 0.5552 1.1976 1.2046 1.5424 0.8783 0.3505 1.6738 0.9603 1.4019 1.0048 1 0.9887 1.0505 1.6952 1.0353 0.938 0.9055 1.3527 1.0447 0.8238 0.8318 alanylleucine 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 1.3427 0.1502 0.9101 0.1502 1.0899 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 0.1502 allantoin 2.9755 1.3462 3.7027 1.274 1.1268 0.9143 0.4915 0.6252 0.7261 1.98 1.0539 0.689 0.9121 1.5285 0.9461 0.7289 1.409 0.8933 0.6971 12.1477 7.6029 0.4947 0.4698 0.3848 0.6098 2.7371 1.429 1.9811 0.4635 0.2301 0.2301 1 0.2301 1.1084 0.2301 0.9191 1.1019 0.9683 1.4191 1.8761 1.0923 0.2301 0.6363 0.9952 1.5216 allo-isoleucine 2.1746 0.5933 0.7235 0.9102 0.8312 2.7897 0.9125 0.4102 1.3199 0.8544 1.0875 0.8821 1.175 1.8021 1.5925 0.4102 1.1407 0.4102 0.4102 0.4102 0.4102 1.1361 0.5204 0.537 0.4102 0.7176 1.6755 1.3825 1.0146 0.4102 0.4102 0.4102 0.7194 1.2712 1.221 0.9854 0.4102 0.4102 0.4102 0.4102 0.4102 0.4102 0.4625 0.4102 0.4102 alpha-hydroxycaproate 0.2494 1.8178 0.865 0.2174 2.5891 0.1412 1.3069 0.1412 1.3259 1.1669 0.1412 0.1412 0.937 0.4452 0.2338 0.2591 1.9185 0.506 0.1412 3.0208 1.0075 0.1412 0.7227 0.2524 1 2.5293 2.2818 0.1412 2.2796 0.6105 0.581 1.9382 1.4582 2.3395 0.7974 5.9778 4.1591 1.87 0.2232 0.9071 0.5675 3.3571 0.1412 1 0.3254 alpha-hydroxyisocaproate 0.0448 1.1735 1 0.0448 0.8556 0.3812 1.8048 0.0448 2.4238 0.8343 0.0777 0.9533 1.4125 1.7054 1.9232 0.0448 2.1625 0.0448 0.0448 0.8462 1.2303 0.2737 1.4732 0.7608 0.84 3.5728 0.0448 0.0448 1.3025 0.0448 0.3673 0.9611 1.0472 0.7402 1.0389 0.4374 1.7749 1.5576 2.5261 1.061 0.6284 0.6026 1.4252 0.8214 0.7506 alpha-hydroxyisovalerate 1.2911 2.2727 0.8573 0.7914 1.3885 10.4035 11.9611 0.8616 2.1947 0.6968 1.0104 0.5789 0.9564 0.0285 2.5568 0.0631 1.2134 0.3335 0.9896 0.6588 0.1366 1.0562 1.1221 0.8357 0.7735 2.4316 1.0475 1.916 0.6589 0.4111 0.4819 1.2062 0.6308 0.8762 1.1637 1.6018 1.3192 0.6842 7.8006 1.1238 0.0285 0.7256 3.1182 0.4851 1.7695 alpha-ketoglutarate 0.8287 0.5089 0.6803 0.797 0.6865 2.3742 1.9206 0.884 1.3083 0.6445 1.3813 1.116 1.8832 1.2874 3.7846 0.7186 0.6202 0.5596 0.7522 1.1846 0.4856 0.7087 0.8756 1.1852 1.3424 3.1219 1.4434 1.6955 1.5407 0.545 1.2961 1.0727 1.1501 0.6792 1.6841 0.8291 0.8089 0.4856 0.6747 0.7444 0.5525 1.1757 1.0326 0.9674 1.3073 alpha-tocopherol 0.9998 0.8442 0.6285 0.703 0.8729 1.2586 0.9713 0.6862 0.9295 0.7596 1.0335 1.2164 1.7733 0.9817 1.0495 0.663 1.0265 1.0192 1.2493 1.41 1.0352 1.069 1.0099 0.8462 0.8784 1.0002 0.8336 1.101 1.8691 0.4856 1.6468 0.986 0.7274 1.9849 1 1.0597 1.2437 0.6763 2.2813 1.6052 0.6 1.2395 0.4074 0.9882 0.9272 andro steroid monosulfate (1)* 0.9754 0.111 0.111 0.111 0.111 0.111 0.111 0.111 0.111 0.111 0.111 0.111 0.111 0.111 0.111 0.111 0.111 0.111 0.111 0.111 0.111 0.111 0.111 0.111 0.111 2.7391 0.111 1.0246 0.111 0.111 0.111 0.111 0.111 0.111 0.111 0.111 1 0.111 0.111 0.111 0.111 0.111 0.111 0.111 0.111 androsterone sulfate 0.2206 0.3449 0.309 1.3026 0.4354 1.1497 1.1258 0.4127 0.7345 1.0623 0.9651 0.1462 0.0957 1.5594 1.4398 0.6503 0.629 0.861 1.0901 1.8814 1.297 1.0349 1.1718 1.4346 1.065 0.7095 4.4887 0.2723 1.0304 0.0957 0.722 1.5686 2.5053 1.7383 1.9088 0.6257 0.5198 2.6555 0.8354 4.0599 0.7367 0.9696 0.8663 0.6503 1.1571 arabinose 0.7402 1.9677 1.027 0.9177 1.1456 1.1546 1.6508 1.1795 0.9611 2.7077 0.8839 0.7695 0.7472 0.6569 0.4875 2.577 0.5848 0.9066 0.6397 2.3106 2.3648 0.973 0.6262 2.5002 3.4007 0.4398 3.6158 1.0508 0.1742 1 0.6834 1.0472 0.344 1.4367 0.1681 1.1254 1.3451 0.5598 1.3019 0.6817 0.7512 0.7868 1.4182 1.3231 3.043 arabonate 1.0634 3.7302 0.8086 0.6225 0.9763 1.42 1.332 0.8872 0.9029 2.3317 1.0078 0.8695 0.9756 0.9922 0.51 2.1441 0.8779 1.2116 0.6855 2.7953 1.6872 1.105 0.7849 1.9125 2.6333 0.3832 2.2731 0.902 0.2946 2.7367 0.6633 2.0312 0.2028 2.0453 0.2028 0.9954 1.5451 1.0046 0.9076 0.9138 0.8465 0.9604 1.14 1.5231 3.2404 arachidate (20:0) 2.6468 2.5186 1.5302 0.4555 2.478 0.3052 4.8093 0.0719 2.3314 2.4052 0.4071 0.6458 3.4057 2.0156 0.3157 0.2561 2.2867 1.2788 0.3414 0.7212 0.25 0.4303 1.5073 2.04 0.4505 2.4603 0.1825 0.2634 1.9445 1.6186 0.4788 0.7575 1.5535 0.5353 0.6304 0.6078 1.9102 1.712 0.6817 1.3868 1.1827 0.5239 1 0.4298 1.6533 arachidonate (20:4n6) 1.1352 0.804 0.8601 0.7278 0.8136 0.8797 2.1477 0.8022 0.8934 2.3832 0.9152 2.1953 3.0482 1.6539 1.1411 1.0359 0.8717 0.8138 0.964 1.0115 1.4215 1.1381 1.055 0.5032 0.865 1.2499 0.9885 1.0237 1.0438 0.581 1.0453 1.2043 1.2002 1.6677 0.9851 1 1.0619 0.6275 1.7756 1.0969 0.9792 0.8548 0.6803 0.5993 0.8273 arginine 1.0032 0.9636 1.0986 0.8592 1.2215 1.0396 1.1861 1.1566 1.0261 1.1165 0.8217 0.9275 0.7744 0.8334 0.0172 1.1935 0.8951 1.0885 1.0137 1.0396 1.1094 0.9968 0.8774 1.1064 0.96 0.0424 0.9267 0.9263 0.0266 1.3595 0.5987 1.1343 0.0512 0.8676 0.026 0.8857 1.0032 1.0575 0.8872 0.8367 1.3322 1 1.0542 1.1333 1.2869 asparagine 1.0371 0.9203 1.2001 0.8443 1.0967 1.0253 1.1256 1.0629 1.0214 1.0093 0.8416 0.9927 0.8236 0.8507 0.0749 1.0319 0.9787 1.0434 0.9317 1.0156 0.9962 1.0038 0.8953 1.108 1.0379 0.0966 0.9635 0.9462 0.057 1.239 0.5997 1.0561 0.0673 0.8834 0.0644 0.9472 1.0398 1.0201 0.8554 0.8626 1.2034 1 1.105 1.2165 1.1458 aspartate 1.0192 0.9917 1.1904 0.8693 1.1361 0.9669 1.1536 1.0028 1.1638 1.2495 0.875 0.9657 0.8661 1.0446 0.034 1.1544 0.9381 1.0081 0.9972 1.0202 1.0872 0.9818 1.1199 1.0921 0.9724 0.058 0.9313 0.9274 0.0439 1.2332 0.6997 1.0196 0.0281 0.9084 0.0247 1 1.0429 1.1314 0.9046 0.8933 1.2298 0.9938 1.0967 1.13 1.1566 aspartylleucine 1.4441 1.3406 1.1319 1.615 1.2062 0.6328 0.1808 0.1808 1.2053 0.7099 0.8701 1.0926 0.7724 0.9765 0.7324 0.1808 1.9851 0.7098 0.1808 0.3397 0.3671 0.1808 0.6179 0.1808 1.0235 2.0461 1.0904 0.7495 1.592 0.1808 1.6857 0.8137 0.9762 1.4343 0.1808 0.1808 0.1808 0.2373 1.2945 1.2893 0.1808 0.4753 0.2437 0.1808 1.0238 azelate (nonanedioate) 0.9128 1.5036 1.1764 1.184 1.1456 1.1541 1.4885 1.1537 0.96 0.8468 1.2449 0.9141 1.8073 1.297 0.9532 0.5209 1.0942 0.8852 0.9653 0.9448 0.6486 1.0176 0.7663 1.2746 0.8886 0.9824 0.9515 2.1606 1.3024 0.6507 0.9882 0.8707 1.1464 1.1647 1.4838 0.9766 1 1.2353 0.6136 1.1866 0.7925 1.1174 0.9879 0.8415 1.6145 benzoate 1.0129 0.6438 0.9223 0.9263 0.9871 1.1501 1.4938 1.0506 0.7352 1.2117 1.1033 1.4057 1.5965 0.7622 1.112 0.9721 0.6978 1.0319 1.3355 1.0278 0.4836 0.897 1.0944 0.597 0.594 0.6504 0.8512 1.1099 1.2904 0.5817 1 1.7396 0.6831 1.3275 1.7468 1.7857 0.6753 0.7121 0.5725 0.9559 1.1115 1.6548 0.9764 1.7963 0.5019 beta-alanine 1.8183 0.8512 0.6055 0.7849 1.1531 1.3678 1.5685 1.2062 1.2886 0.6055 0.886 0.7264 0.9282 1 0.8042 2.3693 0.7191 0.6367 1.4297 0.9843 1.5252 1.4635 0.6095 0.8522 1.1496 1.2184 1.6962 0.7266 0.6055 0.6055 1.3376 0.6055 1.0223 0.6055 0.8026 0.6055 1.0022 0.9978 0.6055 0.6055 0.6055 0.6055 0.6055 0.727 0.6055 beta-hydroxyisovalerate 0.6518 0.9925 0.5293 0.9975 0.6644 1.6392 1.4412 0.6803 1.0025 0.5943 1.0118 0.6955 1.3768 1.41 1.5606 0.6652 1.4656 1.037 0.7852 1.0088 0.8248 0.701 1.2194 0.8328 1.1298 1.3621 0.9594 1.0515 1.3695 0.6108 0.9574 1.2306 1.3045 0.5293 1.3431 1.1133 1 0.5437 1.4211 0.9511 0.5293 0.5293 0.99 0.5293 0.6889 beta-hydroxypyruvate 1.0551 0.9521 1.0117 1.0776 1.1253 0.9044 1.2902 0.9144 0.9501 1.1398 0.7767 0.9047 0.7434 0.9964 0.2064 1.4569 0.7641 1.1375 0.9508 1.3623 1.1236 0.9874 1.0211 1.0175 1.1422 0.3467 0.7953 1.0036 0.2064 0.2064 0.2064 0.7312 0.2064 0.2064 0.2064 0.7139 1 1.0819 0.2064 0.2064 1.0253 0.7479 0.2064 1.0819 0.2064 betaine 1.1243 1.1619 0.8181 0.8381 1.1018 0.5915 0.4818 0.8003 1.3867 0.9201 1.2221 1.2297 1.7081 1.303 1.1436 1.0799 1.3751 0.7449 0.8284 0.6793 0.7546 0.7997 0.7791 0.8069 0.4331 1.6206 1.1647 1.2036 1.2602 0.4873 1.1487 0.7927 1.9106 1.1599 1.045 0.6738 0.8425 1.429 2.0831 1 0.7213 1.2315 0.68 0.6908 0.4242 bilirubin (E,E)* 0.9382 3.5316 0.3242 0.4731 1.0282 0.9895 1.7188 3.7618 5.104 0.9763 1.0994 0.6221 1.1417 1.4515 1.2057 1.2523 1.5318 0.4473 0.2268 1.3355 0.5003 0.7883 0.6514 0.3591 0.4097 0.8299 1.1935 1.0105 1.3548 0.0183 1.1792 1.8248 0.681 1.9093 1 0.7055 1.715 0.7526 1.2783 0.4752 1.1174 1.1159 0.7279 0.33 0.9415 bilirubin (Z,Z) 0.6923 5.8193 0.2504 0.4842 0.9111 1.684 0.8435 3.9002 8.4896 0.7186 2.6132 0.3235 1.2724 2.0211 1.4808 2.8888 3.0659 0.2803 0.22 1.3764 0.5013 0.6065 0.3595 0.3976 0.389 1.5089 1.15 1.0889 2.312 0.1505 0.903 1.097 1.4635 1.4574 2.0115 0.5545 1.5579 0.2531 1.5836 0.7152 0.2492 1.2607 0.504 0.1505 0.7376 biliverdin 0.4516 6.0902 0.1205 0.1205 0.1699 0.1205 0.7481 5.6899 21.1497 0.1205 1.9854 0.1205 0.5948 1.4429 0.1205 6.7286 1.0807 0.1205 0.1205 0.1205 0.8706 0.9193 0.3993 0.1205 0.1205 0.1205 0.5838 3.2839 0.6769 0.1205 0.8391 1.813 0.7384 2.7363 1.1609 0.1205 2.2564 0.1205 1.3288 0.1205 4.0775 0.6471 0.1205 0.1205 0.3476 biotin 0.92 0.9123 1.1617 0.8491 1.1116 1.1518 1.1801 0.9609 1.0356 1.0254 0.7687 0.9699 0.8326 0.8408 0.4574 1.0432 0.8803 1.1673 0.972 1.0217 1.0929 1.0116 1.0209 1.1496 0.9815 0.4574 0.9823 0.9884 0.4574 1.152 0.4574 1.0627 0.4574 0.8546 0.4574 0.9369 0.8971 0.9705 0.877 0.7766 1.2412 1.0295 1.0328 1.1521 1.129 bradykinin, des-arg(9) 1.5926 0.0238 0.0238 0.0238 0.0238 1.4626 0.1242 1.8602 0.0238 2.2381 0.0238 1 1.3306 0.0238 0.0238 0.0238 0.0238 0.4907 0.2017 0.0238 0.1552 0.0238 0.0238 0.0238 0.0238 0.0238 0.0238 0.0238 0.0238 1 15.7402 0.0238 0.5874 0.0238 2.0574 0.2709 0.0238 0.0238 0.0238 0.0781 0.0238 0.0238 0.0238 2.174 0.0238 bradykinin, hydroxy-pro(3) 1.5226 0.5255 0.5255 0.5255 0.5255 0.8916 9.2361 0.5255 0.5255 0.5255 0.5999 0.5255 1.1084 0.5255 0.5255 0.5255 0.5255 0.5255 0.5255 0.5255 0.5255 0.5255 0.5255 0.5255 0.5255 0.5255 0.5255 0.5255 1.2629 0.8436 0.5255 0.5255 0.6798 0.5255 1.2441 0.5255 0.5255 0.5255 0.5255 1 0.5255 0.5255 0.5255 0.5255 0.5255 butyrylcarnitine 0.7193 0.9917 0.5951 0.6447 1.0548 0.9398 0.8406 0.5736 1.8201 1.0083 1.8111 1.165 3.0522 1.4938 1.1965 0.5796 0.8791 0.863 0.3661 2.1579 1.514 0.8591 0.6993 1.1487 1.1668 0.7718 1.8978 1.7104 0.6724 1.6626 0.6938 1.2163 1 1.0568 1.7782 0.8458 2.1079 0.7077 1.1146 1.0397 0.7861 0.4779 0.6053 0.6334 1.6011 caffeine 8.4709 1.1113 3.031 0.4567 2.3648 11.9053 13.7416 0.2895 1.8064 0.3781 4.3874 1.259 0.0888 1.1811 2.3486 0.0443 0.3098 0.7976 0.563 0.5776 0.2873 0.0435 0.8154 0.5227 0.8887 3.6574 14.0904 4.0839 0.102 0.8902 0.0252 0.0389 11.6571 0.0118 2.2805 2.3999 1.7391 0.0059 6.1125 0.0059 0.0634 12.1765 1.1098 0.1798 2.8675 caprate (10:0) 1.9559 2.1403 0.677 0.9389 0.8984 1.3511 2.4124 0.9042 0.7056 1.2927 0.9044 1.3855 1.5626 1.1767 0.7394 1.0311 0.9631 0.9221 1.0115 1.1115 0.8073 1.1973 0.9885 0.7364 0.7674 1.0255 0.728 1.2769 1.1693 2.7337 0.8144 1.3678 0.7574 1.099 0.8181 0.8062 1 0.6913 1.1126 0.6423 0.9837 0.6555 1.2411 2.4169 1.9352 caproate (6:0) 1.4135 1.1739 1.233 0.7203 1.1559 1.4935 0.6337 1.0156 1.029 0.8833 1.094 0.9919 0.988 0.6337 0.8454 1.098 1.1908 1.3801 0.893 0.6945 0.7563 1.0623 0.9224 1 1.2709 0.8571 0.7996 0.9931 1.0704 1.0449 1.0287 0.876 1.8186 1.1329 0.7799 1 1.0403 2.0226 0.9624 1.0836 0.9705 0.8148 0.809 0.8809 0.8551 caprylate (8:0) 1.8141 1.707 0.7113 0.8161 0.9528 1.5991 1.5136 0.7782 1.014 0.8761 0.7073 1.2815 1.2104 0.9932 0.7888 1.0068 1.2585 0.8951 1.0742 0.822 1.0565 0.9315 0.9668 1.1468 0.9539 1.1598 0.6841 1.787 1 1.4728 1.1672 1.4548 0.8549 0.9916 0.8715 0.9529 0.9868 0.6333 1.3807 1.0471 1.0108 0.7218 0.7405 1.4236 2.041 carnitine 0.3859 1.0207 0.5732 1.1299 0.9039 1.0639 0.5789 0.8271 1.1729 0.8894 1.6504 1.2331 1.8227 1.7218 1.3372 0.8614 0.9837 0.8589 0.7233 1.0668 0.8137 1.0163 0.9627 0.9749 0.9016 1.1173 1.4337 1.377 0.6253 0.2213 1.1292 1 1.319 1.16 1.0902 1.3494 0.9926 0.8811 1.3693 1.1364 0.7107 1.0749 0.6568 0.7202 0.4661 catechol sulfate 1.573 0.4406 6.91 0.3116 0.2524 0.6789 0.1442 0.5871 2.2453 1.0585 1.1937 1.4755 0.8155 1.0828 0.6592 1.2794 0.4918 0.3609 2.1262 0.8782 2.9094 1.3131 0.7149 0.5363 1.516 1.7001 0.9415 3.7814 0.5615 0.1442 0.9762 0.5552 1.5509 2.0606 1.1327 0.2523 0.6164 0.9944 1.2843 2.306 5.445 1.0056 0.4155 0.4205 1.0447 C-glycosyltryptophan* 0.127 0.127 3.3575 0.127 0.127 0.127 0.127 0.127 0.127 0.4883 0.127 3.9613 1.5706 0.8284 0.8267 0.127 0.5507 0.127 0.127 0.5038 4.9111 0.127 0.127 0.127 1 3.9994 0.127 0.127 0.127 0.127 0.127 0.4206 0.127 0.127 0.127 1.5794 0.127 0.127 0.127 0.2177 1.8495 1.6788 0.127 0.127 0.127 chenodeoxycholate 19.6002 1.2298 1.7063 1.1439 1.2658 1.0879 0.3071 0.6875 1.8744 0.4853 0.8904 0.649 0.4556 1.5649 1.5523 0.7725 1.3114 0.6398 0.7955 0.9054 0.6965 0.9121 1.8588 0.8897 0.7891 1.481 2.7854 1.1194 1.0826 0.2069 1.197 1.2479 2.276 0.8408 0.5987 1 1.3935 1.8053 0.9555 1.1269 0.8465 1.2621 0.9065 0.5036 0.3908 cholate 33.7271 1.7311 3.1013 0.7088 1.1546 7.4059 0.4944 0.4007 4.7795 0.6219 1.6517 0.7066 0.7395 0.5938 0.9907 1.0093 1.7978 0.4911 0.9309 2.8394 2.4045 0.6351 0.9004 0.7374 1.2703 2.9034 10.2126 0.6183 0.2627 0.1968 0.6443 0.2894 5.6833 6.1112 2.072 1.4616 0.9327 5.5029 2.2395 0.4567 1.5586 1.5926 1 0.458 0.5243 cholesterol 0.9568 0.9211 0.5808 0.8008 0.8596 1.1689 1.0899 0.7556 1.0979 0.9249 1.0866 1.1804 1.5836 1.0683 1.0043 0.7782 1.169 1.0916 1.1086 1.4286 1.1003 0.9957 1.115 0.86 0.8545 0.8886 0.9416 0.9281 1.211 0.6689 1.605 0.9927 0.7405 1.4325 1 1.4045 0.9811 0.626 2.081 1.4872 0.5792 1.1239 0.478 1.2925 0.9211 choline 1.0012 0.9777 1.0661 0.9701 1.1801 1.103 1.0177 0.9576 1.0756 1.0283 0.903 1.029 1.066 0.9988 0.4594 0.8238 1.0119 1.0118 0.9811 1.0865 0.9223 0.9784 0.9099 1.0476 0.8856 0.3595 1.0331 0.8801 0.3537 1.0863 0.7963 1.0786 0.3397 1.0433 0.2797 0.9675 0.894 1.0468 1.0568 0.8956 1.1483 0.9678 1.0201 1 1.066 cinnamoylglycine 0.589 0.6704 0.7562 0.2406 0.342 9.5011 15.0761 0.5189 1.2701 2.9731 1.337 2.9152 1.4233 0.8769 0.4808 0.5074 0.6186 1.1101 1.3655 1.0197 1.1464 2.2315 1.5124 0.4957 0.9803 0.404 1.1695 0.9351 1.5831 0.0758 0.801 1.8367 1.5409 0.4296 2.7553 2.1072 0.9979 1.8707 0.2585 1.0021 0.7927 1.591 0.0758 0.2303 0.8835 cis-4-decenoyl carnitine 6.3724 1.3116 0.9931 1.2249 0.6727 0.8282 1.0001 1.9389 0.9999 1.1275 0.3945 2.9805 3.7247 1.9692 1.8854 2.7934 0.9741 1.268 0.7149 0.574 0.6468 1.4133 0.5233 0.3278 0.1544 0.7888 0.886 3.8523 0.6772 0.5585 1.7075 6.2383 1.7228 1.5228 0.02 0.1667 1.6607 0.5462 2.9977 1 3.288 0.2834 0.5897 0.3542 5.0282 cis-vaccenate (18:1n7) 1.0387 1.1076 1.0158 0.7198 0.3407 2.0126 7.2207 0.8478 0.6523 3.3564 0.7467 2.3955 3.0762 1.2108 1.2361 0.9417 0.5628 1.2576 0.9842 1.1207 0.8994 1.6824 0.844 0.6865 0.6896 0.7242 0.8247 1.0528 1.1507 1.3329 0.66 1.0549 0.32 3.126 0.9398 1 1.0034 0.2975 1.1985 0.7159 1.332 0.316 1.1338 0.7684 0.8282 citrate 0.9992 0.9041 0.3333 1.0465 1.1751 1.0982 1.238 1.0527 0.4984 1.1348 0.3307 1.1237 0.3882 0.5659 0.7258 1.3579 0.3379 1.1688 1.2707 1.0008 0.918 1.0784 1.2861 1.02 0.9985 0.556 0.7576 0.4693 0.4739 1.7149 0.831 1.247 0.5408 0.8308 0.4194 0.9593 1 1.3615 0.8067 0.901 1.5493 1.4335 1.1542 1.5539 1.2257 citrulline 1.2232 1.1636 1.2406 0.8911 1.0394 0.8227 0.7415 0.7823 0.9985 0.9658 2.3224 1.3668 1.8499 1.43 1.4323 0.777 1.1159 0.7714 0.714 0.7867 0.6888 1.0037 0.7615 1.0015 0.7741 1.0082 1.7052 0.9549 0.9705 0.2093 1.4803 1.0524 1.4446 1.3647 1.1552 0.5429 1.0127 1.2716 1.371 0.7987 0.5447 0.8798 1 0.6919 0.4409 corticosterone 0.6945 0.6945 0.6945 0.6945 0.6945 0.6945 0.6945 0.6945 0.6945 0.6945 0.6945 0.6945 0.6945 0.6945 0.6945 0.6945 0.6945 1.3911 0.6945 0.6945 0.6945 0.6945 0.6945 0.6945 4.6582 0.7384 0.6945 1 0.6945 0.6945 0.6945 1.2951 0.7049 0.6945 0.6945 0.6945 0.6945 0.6945 0.6945 0.6945 0.6945 0.6945 0.6945 0.6945 0.6945 cortisol 0.7974 0.9038 0.3677 1.1132 0.1967 0.9817 0.9967 0.4977 1.0033 0.9437 1.0484 0.3707 0.1226 0.0781 1.2341 0.4699 1.0701 1.1719 1.175 1.0382 1.3694 0.3865 1.1645 0.484 1.3811 1.0332 1.1574 1.3932 1.2054 0.6425 0.9636 1.585 1.1445 1.2515 1.143 1.2949 0.7264 0.6498 1.2178 1 0.527 0.6809 1.2724 0.4284 0.8776 cortisone 1.4638 0.693 1.1587 1.566 0.5275 0.9021 0.5496 0.7047 1.2885 0.8603 1.3337 0.4629 0.1886 0.1886 1.355 0.4326 1.4809 0.9125 1 1.2014 1.0953 0.5116 1.1641 0.3744 0.8615 1.7551 1.7402 1.2452 1.9627 0.2943 1.1044 1 1.3856 0.8328 1.0805 1.0198 1.1311 0.8982 1.2522 1.0044 0.2752 0.832 0.9996 0.3135 0.7239 cotinine 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 1.3435 0.2929 1.5802 0.2929 0.2929 0.2929 0.2929 0.2929 0.2929 1 0.2929 0.9563 creatine 0.7916 0.9886 0.8295 0.9412 1.855 0.6972 0.5269 0.9392 0.8535 0.9083 1.3453 1.4659 1.622 0.8611 0.9487 2.8294 2.5661 0.7028 0.8159 1.7472 1.2996 1.2383 1.2625 1.362 1.2935 1.0114 1.1747 0.9112 1.616 1.0369 1.0073 0.7773 1 1.3978 1.374 0.8539 0.6491 0.5722 1.1819 1.4266 0.4896 0.7852 0.3701 1.3903 0.6235 creatinine 0.8975 0.9152 0.6786 0.9745 0.7088 1.4599 1.146 0.8002 1.0669 1.0155 1.2014 1.0624 1.2081 1.2509 1.4519 0.7058 0.9754 0.9257 1.0878 0.8036 0.718 0.8555 1.0029 0.8661 0.9971 1.0388 1.3491 1.0187 0.8368 0.2813 1.0289 0.8531 1.3202 0.8682 1.0667 1 1.1277 1.0165 1.2844 1.0494 0.8697 1.1575 0.9353 0.9116 0.9123 cyclo(leu-pro) 1.3908 0.5005 0.8736 0.1042 0.1042 3.5506 1.4232 0.1042 1.6243 3.7511 0.3063 0.3763 6.5894 7.6217 2.9891 0.1042 0.9074 0.2087 0.3419 2.3898 0.6289 1.0926 2.0163 0.4677 0.3847 0.1961 1.3142 0.8599 0.1042 0.5882 0.8364 0.3219 1 2.4287 4.715 1.0194 0.7559 0.444 4.2747 0.5413 0.5096 1.7843 2.0657 1.5999 2.0488 cyclo(L-phe-L-pro) 0.446 0.446 0.446 0.446 0.446 1.0977 0.6156 0.446 0.446 0.446 0.446 0.446 2.348 0.9023 7.3196 0.446 0.446 0.446 0.446 0.446 0.446 0.446 0.446 0.446 0.446 0.446 0.446 0.446 0.446 0.446 0.446 0.446 0.446 0.446 1.0754 0.446 0.5797 0.446 0.9246 0.446 0.446 0.446 1.328 0.446 0.446 cys-gly, oxidized 1.3752 0.8366 0.4018 1.0062 1.0841 1.5821 0.8552 0.3189 1.4049 0.5307 0.9419 0.9938 1.7526 2.4287 4.6759 0.1055 0.8236 1.3744 0.7021 1.3827 0.1055 0.5908 1.2135 0.7168 0.8048 2.5041 2.0507 0.6332 2.2508 0.1055 1.2399 1.5009 1.8381 1.225 1.796 1 0.4163 0.9585 1.5161 0.8783 0.6093 0.8348 2.7633 0.6901 0.7704 cysteine 0.9392 0.8391 0.9603 0.7983 0.934 1.3956 1.0048 0.7954 1.1438 0.9772 1.0633 0.9674 1.0956 1.2042 0.3533 1.4267 1.3315 1.1236 0.9337 1.154 1.4872 1.292 0.9925 0.9952 0.7176 0.3437 1.3151 1.018 0.4631 1.5358 0.5678 1.6777 0.5085 1.274 0.4299 1.0038 0.9044 1.319 0.878 0.8641 1.2132 1.117 0.8728 1.2183 1 cysteine sulfinic acid 0.6325 3.3429 1.0282 0.6117 0.7407 1.5529 2.3517 0.2458 0.4802 5.384 0.4565 1.147 0.3692 0.7123 0.2458 4.9256 0.8246 1.6275 0.7147 3.4555 5.0527 0.8264 0.9718 2.1197 2.4069 0.2458 3.6352 0.4774 0.2458 1.0808 0.762 0.7999 0.2458 1 0.2458 1.7308 0.7375 0.2458 0.8397 1.0282 0.3654 0.4141 1.5572 1.2502 2.1269 cysteine-glutathione disulfide 1.4091 0.9796 1.3692 0.3718 0.6974 0.4577 0.5923 0.9674 1.7627 0.806 1.0969 0.3666 0.6608 1.5131 1.082 1.7038 2.5805 0.8152 0.8246 2.4526 0.7892 2.2284 1.1204 3.0099 1.4151 0.696 0.2536 1.0204 0.8443 0.3157 0.8176 2.8326 1.0797 1.0509 1.3886 0.2292 2.1955 0.8609 0.255 1.0838 1 1.8951 1.3335 0.9395 0.8734 cystine 1.2037 0.4494 0.9088 0.7581 1.1438 0.9 1.6625 1.1684 0.8683 2.3316 0.3055 1 1.1847 0.3055 0.3055 0.6084 0.9454 1.2711 1.0106 0.9352 0.6248 1.1759 0.8425 1.7439 1.0631 0.8363 1.425 0.7104 0.3055 3.6518 1.0069 1.5381 0.3834 0.8405 0.3055 1.3715 1.3347 2.3623 0.7167 0.4949 2.2771 0.9001 0.7356 1.8038 0.9931 cytidine 0.3763 0.3763 0.3763 0.3763 0.3763 0.3763 0.3763 0.3763 0.3763 0.3763 1.2234 0.3763 0.682 0.3763 1.3002 0.3763 1.0908 0.3763 0.3763 0.3763 0.3763 0.3763 0.3763 0.6534 0.3763 1 1.9189 0.6612 0.3763 0.7962 1.3427 0.3763 0.3763 0.3763 4.0124 1 0.7678 0.3763 0.3763 0.3763 0.3763 0.3763 0.3763 0.3763 0.3763 decanoylcarnitine 5.1081 1.9001 0.4574 0.8395 0.8906 1.4024 2.2969 1.3541 0.9821 1.0179 0.3758 2.7407 2.8213 1.5982 1.276 1.6802 0.7705 1.1944 0.2855 0.5142 0.6 1.8579 0.3383 0.3655 0.1538 0.6207 0.9452 2.1903 0.5189 0.9421 1.4327 8.1746 0.5238 4.5329 0.5871 0.4612 2.7115 0.7931 4.106 1 5.0818 0.3082 1.2313 0.894 9.2009 dehydroisoandrosterone sulfate (DHEA-S) 0.7909 0.5063 0.2998 1.1178 0.5151 1.6834 1.5461 0.6909 1.062 0.9899 1.0893 0.2589 0.1339 0.3915 0.4608 0.876 0.8794 0.7935 0.9608 3.1296 2.4652 1.0738 1.4348 2.2052 2.4057 1.6275 1.2927 1.0101 1.3463 0.0157 1 1.6222 1.5163 0.6184 1.6338 1.5097 0.9079 1.3131 2.3571 1.2743 0.889 0.4598 0.6979 0.8917 0.7986 deoxycarnitine 0.7725 0.8437 0.5861 1.0354 0.7261 1.107 0.7372 0.9743 1.5445 0.7126 1.2564 0.9115 1.3879 1.6679 1.6507 0.6558 1.0215 1.2141 1.0654 0.7323 0.6499 0.9059 1.0898 0.8084 0.9785 1.467 1.5513 1.5422 0.7094 0.1965 1.0746 1 1.7256 1.3292 1.5027 0.9319 0.7976 1.0999 1.7687 1.1161 0.8005 1.1235 0.7217 0.5761 0.4528 deoxycholate 1.1753 2.4358 0.3134 1.2842 1.2707 0.6786 0.446 0.5646 1.3399 1.0942 1.3279 0.5869 0.9149 1.2972 1.8909 0.6774 0.8522 0.4915 0.3677 0.3791 0.7711 0.6534 1.3163 1.0851 1.2271 1.951 0.8317 1.8527 1.1433 0.1232 2.1758 0.9223 1.8149 2.791 2.8306 0.5919 0.4424 1.0406 1 0.3683 1.3835 1.1499 0.67 0.8128 0.7929 dihomo-linoleate (20:2n6) 1.5124 0.6908 0.8838 0.7216 0.5373 1.1956 6.3735 0.9717 0.9281 3.2729 0.5553 2.8691 5.3257 1.1673 0.8937 1.4397 0.955 1.5677 0.8952 0.9682 1.5911 2.0289 1.0283 0.5588 0.5188 1.2326 0.758 1.189 1.6439 1.1893 0.9323 1.6815 0.4654 1.3313 0.6766 0.4727 1.2389 0.2752 1.4921 0.7183 1.1722 0.3749 1.1663 0.5829 1 dihomo-linolenate (20:3n3 or n6) 0.9995 0.8698 0.597 0.6679 0.7478 1.0384 2.4781 0.6574 1.0081 2.7019 0.9286 2.086 2.4736 1.0694 0.8594 1.0809 0.7302 1.001 0.6517 1.0005 1.5934 1.5258 1.122 0.5103 0.5824 1.1598 0.6416 0.809 1.6742 0.7811 0.7365 1.7167 0.8808 1.6335 1 0.6305 1.2045 0.6076 1.7627 1.165 1.0908 0.6711 1.0522 0.7955 0.8965 dihydroferulic acid 2.4018 0.2766 0.2766 0.2766 0.2766 0.2766 0.2766 0.2766 0.2766 0.2766 0.2766 0.2766 0.2766 0.2766 0.5927 0.2766 0.2766 0.2766 0.2766 1.0513 0.2766 0.2766 0.9487 1.6103 0.2766 0.3231 0.4297 7.1256 0.4515 0.2766 2.1302 0.2766 1 0.2766 0.2766 0.2766 0.2766 0.5237 0.2766 1.7174 0.2766 1.2411 0.2766 0.2766 0.2766 dimethyl sulfone 1.1086 3.2503 0.6229 3.016 0.4858 0.3045 0.0695 0.9887 1.0113 0.4811 1.1756 0.9065 1.1626 0.4125 2.1314 0.2664 0.3521 0.2402 0.9167 2.0322 1.2541 0.534 0.9843 1.0534 2.4467 2.7636 1.1194 1.0471 0.4384 0.0486 3.987 1.4822 1.459 1.9393 1.7889 0.8525 0.4417 1 0.876 1.6908 2.2737 1.3249 0.514 0.362 0.8024 dimethylarginine (SDMA + ADMA) 1.2104 1.3058 0.7312 0.9421 0.744 0.9588 0.7663 0.7182 0.9776 1.0188 1.1967 1.1398 1.4657 1.5659 1.6426 0.7083 1.0531 0.9225 1.0372 1.035 0.7653 0.9266 0.9812 0.918 0.9213 1.431 1.1668 1.3306 1.0344 0.4514 1.0096 1.0492 1.0717 1.0693 1.0548 0.9131 0.8476 0.67 1.2515 1 0.7418 1.1585 0.9094 0.5657 0.6633 docosadienoate (22:2n6) 1.0572 0.8626 0.701 0.7167 0.4153 1.3882 7.6608 0.5689 0.5137 2.445 0.5295 1.987 3.9013 1.1459 1.0582 0.994 0.9052 1.258 0.6518 1.0859 1.4406 1.4147 0.6641 0.4737 0.5022 1.2488 0.6282 1.006 1.3856 2.497 1 1.6307 0.2643 1.5296 0.7587 0.565 0.7337 0.2563 1.7502 0.8084 1.0522 0.3127 1.3053 0.3727 1.3433 docosahexaenoate (DHA; 22:6n3) 1.0026 0.6462 0.6035 0.4375 0.5482 1.5324 4.0254 0.87 0.9974 1.8687 0.6628 5.1467 8.093 1.3364 0.8755 1.6945 0.9838 1.3191 0.873 1.579 2.8991 1.7967 1.583 0.9251 1.4498 0.5056 0.8879 0.6443 1.2457 0.6845 1.4249 1.371 0.7643 2.7771 0.9454 1.2702 1.0282 0.3266 2.2299 1.2607 0.7936 0.5914 0.9621 0.7835 1 docosapentaenoate (n3 DPA; 22:5n3) 0.7075 0.7131 0.5966 0.2953 0.453 1.5123 5.2202 1.0334 0.9666 4.2038 1.1219 2.8835 5.862 1.0709 0.6835 1.4317 0.7444 1.5503 0.8151 1.0896 2.8218 1.4228 0.8371 0.9504 1.0757 0.57 0.6643 0.6708 1.0022 0.5909 0.81 1.6732 0.8066 3.5372 1 0.9752 1.0967 0.3633 1.4812 1.0197 0.9598 0.7102 1.0419 0.8711 1.1309 docosapentaenoate (n6 DPA; 22:5n6) 1.2543 0.807 0.6603 0.8571 0.7124 1.2002 3.9713 0.6356 0.9002 2.1696 0.7189 4.2297 4.9729 1.6854 1.0317 1.1336 0.8318 1.1242 0.7829 0.8715 2.4147 1.9229 1.5481 0.3924 0.6928 0.9992 1.0008 0.8472 1.1266 0.7537 0.8177 1.5333 0.7257 2.7836 1 0.3884 2.264 0.4547 1.507 1.2536 0.9854 0.3584 1.3604 0.353 1.3502 docosatrienoate (22:3n3) 0.7741 0.7114 0.5995 0.4276 0.6218 1.2615 5.3151 0.4771 0.3801 2.2609 0.6945 1.6167 4.6506 1.0952 1.1799 1.3623 0.9272 1.1064 0.525 1.5311 1.1394 0.667 1.0302 0.131 0.131 0.131 0.9698 1.132 2.8474 1.8466 0.7225 3.2258 0.8673 1.7197 0.9211 0.6398 1.368 0.4888 2.5592 0.6087 1 0.6808 1.0703 0.6234 1.7903 dodecanedioate 0.8159 2.2065 1.4072 0.9831 1.5076 0.5111 5.6693 0.4773 0.9088 0.6082 0.9678 0.9841 1.2976 1.1821 1.1806 0.445 1.4248 0.3383 0.8079 0.805 0.7918 1.0159 1.6511 1.449 1.4218 0.3089 1.2368 3.0613 0.2693 6.5672 2.2097 1.0054 0.9856 3.997 2.5609 0.6337 0.2578 0.567 0.2578 1.4233 0.9946 0.4788 0.6858 4.0263 3.789 DSGEGDFXAEGGGVR* 0.1115 0.1115 0.1115 0.1115 0.1115 2.3965 0.1115 0.7528 0.1115 1.2472 0.1115 4.3262 0.1115 0.1115 0.1115 0.1115 0.1115 0.5017 0.1115 0.1115 0.1115 0.1115 0.1115 0.1115 0.1115 0.1115 0.1115 0.1115 0.1115 0.1115 0.1115 0.1115 0.1115 0.1115 0.1115 1 0.1115 0.1115 0.1115 0.1115 0.1115 0.1115 0.1115 0.1115 0.1115 eicosapentaenoate (EPA; 20:5n3) 0.5823 0.7657 0.5178 0.3027 0.6304 3.0132 2.6632 1.7915 0.7783 4.1116 2.6485 3.1966 4.7309 0.8771 0.6661 2.2155 0.6983 1.0598 1.6245 2.1491 2.8892 1.178 0.8494 0.852 3.1167 0.5822 0.9402 0.5106 0.7048 0.3123 0.8779 2.5391 1.0252 7.8624 1.4836 3.5637 0.7276 0.5405 4.3743 1.4376 0.6732 1 0.8405 3.0886 0.8101 eicosenoate (20:1n9 or 11) 1.6938 0.813 1.071 0.882 0.5188 1.167 13.1194 1.3529 0.8112 2.956 0.6092 3.1221 6.7811 1.5106 0.9364 0.6529 0.6633 1.325 0.8641 0.9576 1.2649 2.2526 0.9588 0.5437 0.6763 1.0412 0.502 1.5475 1.2863 1.5033 0.9715 1.4231 0.4202 2.0244 0.6375 0.4253 1.0768 0.2259 1.4975 0.685 1.4789 0.2614 1 0.7183 1.1641 epiandrosterone sulfate 0.4674 0.2301 0.3922 1.4914 0.3916 2.1163 1.7781 0.5905 1.0808 1.8189 1.6911 0.1627 0.1362 1.9303 2.1481 0.6846 0.4436 0.6879 0.9088 2.2228 1.389 0.9192 1.301 1.2192 1.1924 0.5561 3.3956 0.2597 0.5539 0.1362 0.607 1.3987 2.4322 1.4973 1.8094 0.9308 0.3166 1.7601 2.2807 3.4596 0.9447 0.6953 1.0538 0.9462 0.8973 erythritol 1.0419 0.8114 0.6238 0.8465 0.8192 1.398 0.6802 0.5467 0.9967 0.7993 1.3956 1.0033 1.6886 1.2652 1.7978 0.98 1.0711 0.6818 1.1728 0.8725 0.7429 0.7141 0.9109 1.0234 1.2079 1.1269 1.1773 1.2739 1 0.555 1.4997 0.7437 0.9074 1.0455 0.9423 1.043 1.0456 1.3568 1.4606 0.8866 0.7386 1.2041 0.9493 0.6631 1.0201 erythronate* 1.0181 2.6574 0.7809 0.8176 1.0715 1.1728 0.949 0.8031 0.9749 2.2652 1.0374 1.0357 1.1919 0.9553 0.8133 1.1618 0.8276 1.0016 0.9984 3.0528 0.9168 0.8205 0.8215 1.415 2.1461 0.541 2.1189 0.9037 0.3758 1.372 1.1917 1.5479 0.3824 1.661 0.3699 1.1128 1.2005 0.7472 1 0.9478 0.8133 0.8686 0.949 1.2634 3.1128 estrone 3-sulfate 0.3126 0.3126 0.3126 0.3126 0.3126 0.3126 1.1155 0.3126 0.3126 0.3126 0.3126 0.3126 0.3126 0.3126 0.3126 0.3126 0.3126 0.8845 0.3126 0.5466 0.3126 0.3126 1.8036 0.3126 1.9931 0.3126 0.3126 0.3126 0.3499 0.3126 0.3126 0.3126 1.6501 0.3126 0.3126 0.3126 0.3126 0.3126 0.3126 0.3126 0.3126 0.3126 0.3126 0.3126 0.3126 ethanolamine 1.6576 1.0398 0.4272 1.6533 0.8862 1.4429 0.6293 1.0398 1.1829 0.7321 1.1644 0.8618 1.0492 0.9602 0.6854 3.0056 0.8916 0.5017 1.5287 1.0777 2.3935 2.0932 0.5317 0.7525 0.479 0.6537 1.7804 0.8176 2.3965 1.4977 5.8576 1.0837 1.4105 0.5616 1.3431 0.7268 0.7899 1.116 0.8109 1.0419 0.4272 0.9581 0.6695 0.4555 0.5197 ethyl glucuronide 1.0241 1.141 0.269 0.269 0.269 364.3063 339.6514 0.585 0.269 0.269 0.269 0.9759 0.269 1.496 0.269 1.0712 0.269 0.269 0.7411 0.269 0.9659 0.269 0.269 0.5118 0.269 0.269 0.269 0.5033 0.269 0.269 0.6837 0.269 0.9751 0.9529 0.269 247.2711 0.269 0.269 33.2042 1.0249 0.269 0.442 17.7572 0.269 34.4051 etiocholanolone glucuronide 0.7364 0.4555 0.116 0.8221 0.116 1.054 1.2527 0.8007 1.5278 1.5442 2.3329 0.116 0.116 0.8145 1.4664 0.2846 1.067 0.3824 0.4298 3.3574 2.631 0.5801 0.9808 1.0192 1.7294 0.89 2.3 0.116 0.4447 0.116 0.5091 2.2321 1.5371 0.3877 1.9423 1.0684 0.2956 0.3863 2.2737 1.2626 0.9553 1.0941 0.2941 1.0447 0.8019 ferulic acid 4-sulfate 0.1845 0.1845 0.1845 0.1845 0.1845 1.2154 0.1845 0.1845 0.3422 0.1845 0.1845 0.1845 0.1845 0.1845 1.4903 0.1845 0.1845 0.1845 0.1845 0.3266 0.1845 0.1845 1.8198 0.1845 0.7846 0.1845 0.1845 1.263 0.1845 0.1845 0.3711 0.1845 1 0.1845 1.9502 0.1845 0.1845 0.1845 0.1845 0.1845 0.1845 0.1845 0.1845 0.4327 2.1128 folate 1.109 0.6745 1.6309 0.968 1.2724 1.0651 1.0648 1.1417 1.2451 0.8092 0.7565 1.0401 0.8399 0.6244 0.3993 1.0608 0.8688 0.9414 0.9434 0.7335 1.0929 0.7906 1.032 1.1241 0.7461 0.3993 0.5601 1.2945 0.3993 1.2267 0.3993 1.1921 0.3993 0.6915 0.3993 0.9146 0.8714 1.3097 0.772 0.7234 1.5527 1.2322 0.8168 1.1491 1.0854 fructose 0.7414 1.2398 0.4505 0.6626 0.8914 1.3438 1.0995 0.4544 1.2537 1.0412 1.0405 0.7166 0.8575 1.1358 0.7181 0.5454 0.9875 1.3954 1.0509 1.3765 0.3661 0.5995 0.9499 1.6047 2.0192 0.4862 1.323 1.0125 0.1764 1.5161 2.2548 1.6391 0.7556 1.0643 0.2255 1.29 2.7215 0.9397 1.7716 0.7658 0.8912 1 0.3898 0.7684 3.2623 fumarate 1.3508 0.8596 0.8333 0.6377 0.8275 3.1026 2.0273 0.8466 1.4898 1.0037 1.2294 0.7886 1.448 1.5699 1.4892 0.8875 0.9557 0.9824 0.9963 1.4192 0.8177 0.8171 1.0106 0.7664 1.4201 0.7975 1.0958 1.3948 1.4923 0.5333 0.9551 0.8739 0.6284 1 1.391 1.3818 1.0259 0.8575 1.0086 0.9465 0.9719 1.3881 1.4154 0.7172 1.6696 gamma-CEHC 1.9932 1.0316 1.0125 1.1622 1.2991 0.2951 0.0435 0.4464 1.277 0.1009 0.3812 0.9875 1.669 1.3215 0.5823 1.6492 0.9521 0.6088 0.6505 0.6707 0.7154 1.1341 2.8194 0.4586 1.1909 1.6273 0.8824 1.2937 2.7893 0.0435 2.7084 0.651 3.5127 0.9061 0.589 0.1115 0.2905 1.1344 1.4628 0.6271 0.5239 1.4036 1.0939 0.2749 1.2864 gamma-CEHC glucuronide* 0.5006 0.5006 0.5006 0.5006 0.5006 0.5006 0.5006 0.5006 0.5006 0.5006 0.5006 0.5006 3.0116 0.5006 0.5006 0.5006 0.5006 0.5006 0.5006 0.5006 0.5006 0.5006 1 0.5006 0.5006 0.5006 0.5006 0.5006 0.5006 0.5006 1 0.5006 0.5006 0.5006 0.5006 0.5006 0.5006 0.5006 0.5006 0.5006 0.5006 0.5006 0.5006 0.5006 0.5006 gamma-glutamylalanine 0.9217 0.6272 0.6544 1.068 1.1085 0.81 0.666 0.427 1.396 0.6199 0.7252 1.2225 1.2343 2.1404 2.0422 0.8407 1.2793 0.3696 1.0577 1.5399 0.8465 0.9817 0.9697 1.0183 0.5741 1.7398 1.7181 1.2309 0.8279 0.1668 1.4506 0.9486 1.7181 0.9464 1.155 1.0247 0.9575 2.0363 1.3086 1 0.3624 1.112 1.1511 0.85 0.7879 gamma-glutamylglutamine 1.695 0.9639 0.3617 1.6724 1.8108 1.6435 1.3601 0.8077 0.6073 1.311 0.5495 1.7506 0.5285 0.8985 0.842 0.9833 0.4074 0.6187 1.1394 1.078 1.25 0.7425 1.02 0.6849 1.0167 1.05 2.8439 0.5936 0.57 0.825 1.3601 1.3239 1 1.2708 0.6346 2.0136 0.9042 1.7286 2.7677 1.498 0.748 0.8612 1.4266 0.7866 0.9478 gamma-glutamylisoleucine* 1.5123 1.8425 0.2902 1.3713 1.3198 1.1844 1.1988 0.6624 0.5864 1.0336 0.709 1.918 1.3859 0.7881 0.4277 1.0828 0.7789 0.6836 1.0956 0.8561 0.9951 0.7445 1.0488 0.5979 1.0049 0.7192 2.052 0.5381 0.212 0.8111 1.0946 1.0802 0.456 1.261 0.5343 1.6141 0.8004 1.323 2.2298 1.2542 1.0347 1 0.7041 0.6753 0.7222 gamma-glutamylleucine 1.4198 1.3961 0.3713 1.1186 1.2596 1.1389 1.2502 0.7081 1.0791 0.8952 0.9682 1.7173 1.8165 1.0318 1.118 0.6868 1.2021 0.745 0.7565 0.8923 0.9237 0.6998 0.9529 0.5775 0.8045 1.328 1.8605 0.7511 0.663 0.6804 1.3697 1.2271 0.9539 1.2229 1.3819 1.4364 0.9666 1.7929 2.4489 1.2008 0.8422 0.7719 1 0.8343 0.9929 gamma-glutamyllysine 1.3871 1.0675 0.11 1.4501 1.0769 1.5778 2.1275 1.069 0.7133 1.6311 0.4876 2.3981 1.689 1.325 0.908 0.6591 0.7019 0.0557 1.1301 0.6617 0.9325 0.5046 0.8318 0.6114 1.1788 0.782 3.1654 0.2801 0.2818 0.6061 1.4 1.2819 0.9733 1.3524 0.2137 3.2879 0.3172 1.6513 3.3878 1.4664 0.8466 1.0052 1 0.586 0.835 gamma-glutamylmethionine 1.5278 1.1976 0.1765 1.5573 2.1638 1.6592 1.8135 0.6867 0.894 1.3431 0.634 2.8245 1.461 1.0899 0.7652 0.8059 1.0215 0.5737 1.1034 0.6293 0.8563 0.4613 1.4361 0.697 0.9785 0.9246 3.3069 0.6818 0.119 0.8937 1.0375 1.1126 0.8608 1.1556 0.6418 1.9251 0.5998 2.1862 2.9901 1.3873 1 0.4979 1.6459 0.8034 0.6171 gamma-glutamylphenylalanine 1.5875 1.5412 0.5613 1.2403 1.17 1.0674 0.9326 0.8432 1.301 0.8893 1.3987 1.4801 2.3534 1.5524 2.4884 0.7355 1.4922 0.7813 0.7585 0.8366 0.6791 0.7166 0.7794 0.6264 0.7514 2.4817 2.038 0.8524 1 0.5963 1.2194 0.9823 1.2514 1.236 1.5111 0.8939 0.7633 1.3074 2.0008 1.1455 0.8183 0.9156 1.335 0.7535 0.5686 gamma-glutamyltyrosine 1.2989 0.676 0.3697 0.4009 1.3699 0.6008 0.8016 0.3697 0.7173 0.3777 0.5714 1.8147 4.9354 1.6986 1.8847 0.3697 1.1984 0.3697 0.3697 0.3697 0.645 0.3697 0.3697 0.3697 0.3697 2.9305 1.5384 0.7554 1.4544 0.3697 0.3697 0.3697 3.6486 0.3697 2.1129 1 0.3697 1.7019 4.2927 0.3697 0.7332 0.4121 0.6297 0.3697 0.9916 gamma-glutamylvaline 1.3667 1.6491 0.3677 1.1052 1.1335 0.6893 1.04 0.5539 1.0445 0.8166 0.7019 1.2364 2.1614 1.3332 1.2521 0.9999 0.9781 0.77 0.8164 0.856 1.1648 0.5464 1.0001 0.6662 0.3849 1.0908 1.9501 0.3838 0.6577 0.8684 1.5218 0.9684 1 1.4743 1.1449 1.5824 0.9852 1.4116 2.4749 1.6379 1.0275 0.9206 0.8795 0.788 0.6678 gluconate 0.756 2.1436 0.8481 0.9874 1.1443 0.8018 1.0479 0.9027 0.8713 2.3505 0.7671 1.0741 0.9447 0.8376 0.3795 1.6489 1.091 1.0768 1.0843 2.1795 0.941 0.8896 1.0126 1.3189 1.7822 0.2702 1.5841 0.7573 0.2288 1.2726 0.8392 1.5377 0.2357 1.5039 0.0776 1.0401 0.9576 0.7962 0.7965 1 0.787 1.0024 1.0888 1.2293 1.8728 glucose 0.9453 1.065 0.9784 1.0759 1.0784 1.0075 1.2307 1.0333 1.0711 1.0813 0.9137 0.9499 0.9041 0.9192 0.5844 1.1362 0.9606 1.0123 0.9899 1.0466 0.9759 1.028 0.9651 1.0286 1.1135 0.477 0.9925 0.9616 0.3423 1.2455 0.9224 0.9932 0.2206 1.064 0.3295 0.9171 1 0.9988 1.015 1.0351 1.1834 0.9693 1.0201 1.1603 1.1352 glutamate 1.1029 0.9585 1.1287 0.9465 1.167 1.2738 1.2161 0.9859 1.0123 1.1121 0.8839 1.1458 0.8799 0.8355 0.22 1.2085 1.1244 1.0072 0.9928 0.9666 1.19 0.9171 0.8836 1.0249 0.9726 0.3109 1.1143 0.9567 0.2015 1.3253 0.6312 1.0508 0.1304 0.8118 0.1744 1.1508 0.9435 1 1.0887 0.8305 1.137 0.9274 1.0527 1.0671 1.0945 glutamine 1.0174 1.089 0.2719 0.9694 1.1784 1.1087 1.1898 0.9848 0.3003 1.1023 0.3846 0.9646 0.3238 0.3402 0.352 1.187 0.3251 1.1098 1.0291 1.1471 1.2426 1.1153 0.9696 1.19 0.9211 0.5775 1.0152 0.3394 0.346 1.3623 0.8435 1 0.4754 0.9075 0.3461 0.9753 1.1233 1.1264 0.9618 0.9513 1.1165 1.085 1.0556 1.0923 1.2462 glutamine-leucine 0.2752 1.9222 0.2752 0.2752 1.3936 0.3238 2.1741 0.2752 0.2752 4.768 0.9267 3.7562 0.511 0.3038 0.2752 0.3883 2.626 0.2752 1 0.2752 1.0434 0.2752 0.8502 0.2752 0.7624 0.2752 2.2524 0.2752 0.2752 0.8515 1.0798 1.956 0.2752 0.2752 0.2752 1.5849 0.2752 1.2936 2.6644 0.6308 0.9202 0.2752 0.653 0.2752 0.5029 glutarylcarnitine (C5) 2.0071 1.7657 0.8557 0.8351 0.9465 0.6307 1.2741 0.9115 1.5915 1.0482 0.966 0.725 1.7622 2.5501 1.7312 0.3287 0.7393 0.7292 1.034 0.8042 0.7393 0.3425 0.6543 2.1792 1.0788 1.1057 2.453 4.5148 0.7438 0.2532 1.6445 2.0144 1.5541 0.8244 1.028 0.8368 3.7885 2.4809 2.3044 0.972 0.9411 0.2532 1.2709 0.6822 0.5937 glycerate 0.8732 1.5568 0.5024 1.1354 0.852 1.2233 0.7132 0.9502 1.0217 1.4676 0.8648 0.9674 1.0739 1.2205 0.8388 1.3587 0.9301 0.8275 1.2624 1.4493 0.9783 0.9287 1.3798 1.0291 2.4062 0.4495 1.8566 0.8402 0.9672 0.9796 1.9682 1.3502 0.695 2.0428 0.8221 0.8244 1 1.1049 1.3765 1.597 0.7468 1.1628 0.9087 0.7711 1.712 glycerol 0.9691 0.9088 1.0176 0.9643 0.9945 1.6062 2.3012 0.9593 0.8892 1.1286 0.6926 1.117 1.398 0.7996 1.0472 1.1504 0.8315 1.0813 0.9882 1.0096 0.9162 1.0671 0.9462 1.0382 1.0055 1.104 0.8507 0.949 1.578 1.3238 0.4963 0.9428 1.0472 0.9542 1.7926 1.1556 1 0.8679 0.9364 0.5892 1.2543 0.7318 0.9353 1.1029 1.2154 glycerol 2-phosphate 0.5704 0.857 0.2995 0.2995 0.5836 1.3596 0.4763 0.8619 3.3249 0.5384 0.6168 2.0537 0.6012 1.7944 0.9769 1 0.7337 1.4161 1.0041 0.2995 1.1831 0.7568 1.1776 10.1501 10.1781 18.6674 4.9785 0.8641 0.2995 0.2995 2.8532 0.3236 8.6592 0.8832 0.5124 0.2995 5.5744 1.0113 24.9591 0.9887 0.2995 0.8806 0.2995 0.2995 7.5952 glycerol 3-phosphate (G3P) 0.731 1.371 0.5717 0.8413 0.823 1.3606 0.4442 0.3966 10.1685 0.718 1.0078 2.0671 0.8875 1.5427 0.7012 0.5266 1.3079 0.9922 0.7993 1.0879 3.2079 1.0572 0.9022 28.6216 43.1027 56.7084 25.6093 0.9696 1.0008 1.4617 3.5729 0.3707 43.7851 0.4517 0.769 0.2954 23.9543 0.6241 84.979 1 0.3435 1.2218 0.4532 0.3155 26.0184 glycerophosphorylcholine (GPC) 1.0489 0.3574 0.8526 0.8917 1.5169 1.7887 0.61 0.3683 1.0744 0.8995 1.2629 1.016 1.5989 1.0348 0.7481 0.0548 1.3141 0.4164 1.0024 1.9234 0.2673 0.6394 1.3196 0.7806 0.9976 1.7371 1.318 0.8276 1 0.358 1.2664 0.8127 1.3846 0.8615 0.7999 0.9875 1.085 0.7115 1.4463 1.1685 0.3902 7.0879 1.2185 0.5238 1.0524 glycine 1.0562 0.851 0.8791 1.1758 0.6942 1.1173 0.804 0.9929 1.2971 0.9163 0.9627 0.8125 1.0018 1.0044 0.3559 3.1712 1.2003 0.8335 1.2298 0.9982 1.7987 1.6911 0.7774 0.8733 0.7493 1.1148 2.464 1.2709 0.8556 1.1674 2.2863 1.1454 0.8974 1.2941 1.1587 1.0388 1 1.8587 0.9673 1.1686 0.8766 0.843 0.6157 0.9112 0.7958 glycochenodeoxycholate 2.7952 5.1933 0.4181 0.6901 1.2616 0.5489 1.9922 0.1342 1.357 0.0758 0.9857 1.6016 3.9835 1.0192 0.7216 0.1544 5.1129 0.5433 0.996 0.3615 0.1783 0.5201 1.8596 0.6772 1.9513 3.9724 1.004 3.431 0.8713 3.6784 2.1502 0.4008 2.9865 1.2432 1.5355 0.4735 0.1035 1.1041 0.4277 0.3857 0.1047 0.6181 1.5668 1.6548 1 glycocholate 0.9788 10.689 0.75 0.3185 0.6016 1.1408 1.2874 0.1029 1.1275 0.2163 0.7497 0.7795 2.6714 0.2025 0.2194 0.4367 3.796 0.3992 1.1797 1.1104 0.187 0.3362 1.0212 1.3049 4.8517 4.0302 1.2063 2.8577 0.8332 6.7246 1.3009 0.1213 1.4368 1 4.4259 0.8782 0.1165 0.8535 1.0819 0.3928 0.0503 1.0062 1.2913 2.1405 0.4263 glycocholenate sulfate* 1.8459 0.6305 1.0878 1.8377 0.8984 0.8128 0.8401 0.495 1.4096 1.8919 1.4524 1.0967 0.8996 1.5639 1.3942 0.3586 1.0346 0.4633 0.6094 0.675 0.7239 0.872 1.3288 0.8448 0.9654 1.4185 1.0793 1.2063 1.0314 0.3611 1 2.2973 2.7533 1.696 0.4633 1.9131 1.4495 1.6346 1.6637 0.7799 0.7878 0.822 0.9472 0.9601 0.7723 glycodeoxycholate 0.533 7.2322 0.1839 1.1551 0.3603 0.5666 2.4103 0.0304 0.1509 0.3836 2.3956 1.73 7.8619 1.7906 2.1242 0.1811 3.0711 0.4944 0.2653 2.2684 0.2766 0.149 0.8449 2.7569 8.0779 2.2545 0.3271 1.9907 0.7465 0.0082 8.7723 0.0834 2.6509 4.5938 8.985 0.3861 0.0082 1.0721 0.1063 0.9279 0.171 0.6836 1.5065 1.6919 1.0793 glycohyocholate 0.8683 3.46 0.24 0.2103 0.2103 0.7343 0.7227 0.2103 0.3341 0.2103 0.2103 1.2238 1.3892 0.2103 0.2103 0.7594 1.6263 0.2103 0.2103 0.2103 0.2103 1.1317 1.2824 0.2103 1.3111 0.5405 1.6217 0.2103 0.2103 23.2728 3.3205 1.5169 0.8298 0.9324 0.7142 0.3258 0.2103 1 1.9836 0.323 0.2103 1.1611 0.8813 1.2497 0.2103 glycolate (hydroxyacetate) 0.9976 1.9743 0.997 0.9573 1.1876 1.3071 1.0401 0.8363 0.963 1.687 0.7766 0.8672 0.9363 0.8943 0.5575 1.7946 1.0368 0.9383 0.8193 2.2305 1.1245 1.0794 0.8869 1.2045 2.1142 0.7941 1.4225 1.0024 0.5725 1 1.5064 1.0865 0.6477 1.3588 0.9583 1.1611 1.0755 0.952 1.0613 0.7432 0.6725 0.903 0.9645 1.2561 2.3753 glycolithocholate sulfate* 0.9959 4.9953 1.9454 1.0041 0.6333 0.9312 4.3529 0.1755 0.4786 3.1851 2.4426 5.2293 3.0724 1.5675 4.0936 0.4821 0.7784 0.27 0.4191 0.7685 0.7231 0.7478 2.647 1.6182 2.5803 0.7992 0.5423 1.7673 0.4018 0.0181 3.9857 1.7283 1.7181 2.7315 1 0.0867 0.2558 1.404 0.7361 1.8159 0.5868 0.6638 0.33 2.1998 1.1402 glycoursodeoxycholate 5.6606 3.3427 0.5343 0.4798 1.2718 0.9837 5.6787 0.0548 0.6377 0.1994 1.5887 0.8158 2.8538 1.2942 1.0163 0.515 4.57 0.5758 0.7931 0.2851 0.2241 0.5381 1.1999 0.144 1.4234 2.4954 1.4623 3.2621 1.3166 1.0336 4.1612 0.813 2.9048 5.5353 1 2.104 0.2878 0.9806 0.6052 0.3226 0.2688 0.6972 3.5298 1.8287 0.6676 glycylleucine 0.5182 0.5182 0.5952 0.5182 1.361 0.5182 0.5182 0.5182 0.5182 0.5182 0.5182 0.5182 0.5182 0.5182 0.5182 0.5182 1.404 0.5182 0.5182 0.5182 0.5182 0.5182 0.5182 0.5182 0.5182 0.5182 1 0.5182 0.5182 0.5182 0.5276 1.4724 0.5182 0.5182 0.5182 0.5182 0.5182 0.5182 0.5182 0.5182 0.5182 0.5182 0.5182 0.5182 0.5182 glycylphenylalanine 0.1603 0.1603 0.1636 0.1603 6.6062 6.2914 0.3263 10.55 1 11.9517 0.1603 32.0524 2.0373 0.1603 0.1603 0.1603 0.1603 0.1603 0.3615 0.4147 1.7015 0.1603 0.1603 0.1603 0.1603 0.1728 0.1603 0.4015 0.1603 0.1603 6.2125 0.1603 0.1603 0.1603 0.1603 1.2595 0.1603 0.1603 0.7405 0.6585 0.1603 0.1603 0.1603 0.1603 0.1603 guanidinoacetate 0.4495 0.811 0.981 1.3516 1.0801 0.9087 0.4952 0.2048 1.798 1.2076 1.896 0.1346 0.4217 1.019 1.3199 0.3613 0.7325 0.6291 0.6402 1.1255 0.1346 1.3119 1.3924 0.3609 0.42 2.1214 2.6212 1.0538 1.2263 0.1346 0.8795 0.2727 1.6316 1.5982 1.6367 0.4421 0.7933 1.0587 1.7746 1.0203 0.5249 1 0.1346 0.1346 0.1843 guanine 0.1531 1.1272 1.1024 0.2256 0.3686 0.1531 2.0825 0.1531 0.5278 3.0947 1.392 0.5107 0.1531 0.3849 0.1531 0.5955 4.4975 1.8087 1.726 0.1531 0.8976 0.1531 0.1531 1.5685 0.1531 0.1531 0.1531 0.2417 0.1531 1.8853 0.8993 3.6496 0.1531 1.4525 0.1531 0.2541 0.4073 0.1531 2.0632 0.1531 1.1007 0.6285 0.5884 1.3585 0.5696 guanosine 0.1615 2.1397 2.5642 0.6803 0.1003 0.1003 0.8449 0.1003 1.2045 0.9966 1.5371 1.0613 1.6985 1.0034 1.124 0.7531 3.567 1.2936 0.3381 1.6251 0.8111 0.1003 0.2421 2.1961 0.6682 0.1003 0.6587 0.1189 0.1003 0.2404 0.1003 2.8576 0.1003 1.2826 0.1003 0.943 1.0809 0.5503 2.579 0.2291 0.3036 1.2929 1.1657 1 0.6929 heme 0.2438 0.2438 0.5101 0.2438 0.2438 0.2438 0.2556 0.2438 2.1842 3.1297 0.2438 0.5179 0.2438 0.2438 0.2438 0.2438 0.2438 0.2438 0.2438 0.2438 0.2438 0.2438 0.2907 0.2438 0.2438 1.4821 1.4986 0.2438 0.2438 0.2438 0.2438 1.0567 1.1159 0.9433 4.8418 0.8255 0.2438 2.383 0.9347 0.2438 5.4249 0.2438 0.2438 0.8332 0.2438 HEPES 1.6265 0.9937 0.9869 0.7299 0.9379 1.1418 1.3188 0.8729 0.9491 0.9662 0.7801 0.8629 0.8973 1.0063 0.5027 2.6824 1.0375 1.1767 1.0816 0.9494 2.7547 1.0497 1.14 0.9568 1.191 0.5027 0.8196 1.1068 0.5027 0.9704 0.5027 1.2185 0.5027 0.9273 0.5027 1.1373 0.8361 0.9451 0.7435 0.7308 1.429 1.1279 1.1868 1.2617 1.0296 heptanoate (7:0) 0.912 0.7535 1.0429 1.0024 0.9079 1.4737 0.5791 0.9688 1.266 0.9296 1.1386 0.8082 0.7325 0.7886 1.9476 1.3168 0.997 1.1928 1.4603 0.8299 1.6272 0.8591 1.2635 1.0411 1.3381 2.1938 0.7044 0.9976 2.1809 0.7287 1.1728 0.7979 2.1432 1.145 2.383 1.4172 0.8131 0.8366 1.1297 1.2277 0.9378 0.786 0.7329 1 0.8886 hexadecanedioate 0.9144 1.5424 1.9193 0.863 0.9677 0.6885 1.6266 0.941 0.7149 1.4901 1.0025 0.9975 1.3272 1.2562 1.0591 0.5324 1.4901 0.9065 0.7166 0.8303 0.7189 0.7724 2.1485 1.3151 1.3678 0.8522 1.0068 1.3404 0.8127 1.17 1.346 0.7612 1.8773 2.9929 0.9657 0.7173 0.7534 0.8413 0.9602 1.0597 0.8125 1 1.1873 2.217 2.1278 hexanoylcarnitine 2.4395 1.4196 0.224 1.0751 0.7008 0.9661 1.9961 1.5461 1 1.1114 0.6653 2.7049 4.1281 1.538 0.1418 1.5046 0.6698 1.0544 0.4419 0.6833 0.7264 1.5568 0.5924 0.6162 0.1418 0.6297 0.2946 2.4882 0.4357 1.7504 1.2827 5.384 0.4251 2.7108 0.556 0.1527 1.9797 0.4942 3.0092 1 2.9511 0.1539 0.654 0.8452 5.97 hippurate 1.1923 1.1885 2.719 0.3451 0.4979 0.549 2.6553 0.372 0.947 1.4364 1.6153 0.752 1.0089 1.0293 0.508 2.4152 0.8033 0.5245 3.6413 1.0694 0.953 0.6659 0.9911 0.7782 1.4088 0.8592 1.1649 1.3392 1 0.0201 3.7384 0.9233 1.9625 2.5002 2.4934 0.1595 0.4115 1.479 0.7476 2.5144 4.5509 0.9353 0.8548 0.4925 1.137 histidine 0.9357 0.9477 1.2599 0.9805 1.0586 0.9625 1.0011 0.898 1.093 0.9538 0.9472 1.023 1.0866 1.1121 0.4121 0.7616 1.022 1.0938 0.9817 1.0436 0.8087 0.9989 1.2394 1.0665 1.0011 0.6168 1.087 0.9874 0.3906 1.0306 0.9005 0.8868 0.5218 0.879 0.5244 0.8964 1.0866 1.0995 1.0514 0.8721 1.0811 1.0044 1.0358 1.0673 1 homocitrulline 0.7018 1.0079 0.3715 1.0118 0.3403 0.8989 0.7669 1.1848 2.218 0.9921 3.2687 1.1079 4.4555 2.1637 2.2871 0.2606 0.3824 1.2726 0.8106 0.988 0.7462 0.5963 1.2782 0.8912 1.128 1.483 3.5622 0.6994 0.9911 0.2606 0.8649 1.5972 1.4457 0.7402 2.6271 0.9179 0.7036 0.3536 1.411 1.9526 0.3865 1.1492 1.0089 1.1896 0.6386 homocysteine 2.2569 1.8418 0.7263 1.2046 0.6562 1.4294 0.2584 0.9025 0.4294 1.7178 0.5522 0.5949 0.9381 1.0283 0.7055 6.8078 0.9488 1.2697 1 2.3774 6.2446 1.0856 0.7651 1.0354 0.9305 0.2584 1.9952 0.7138 0.2584 1 1.2757 1.8425 0.2584 0.8652 0.2584 0.2584 0.9855 0.2584 0.986 0.2584 0.2584 0.2584 1.0663 0.2584 0.2584 homostachydrine* 0.1636 1.3724 0.1636 0.5896 0.1636 0.1636 0.1636 0.1636 4.1321 0.1636 0.5927 0.5767 0.3835 0.1636 4.1066 1.8624 0.1636 1.2476 0.1636 0.1636 2.3175 0.1636 0.5713 1.9342 0.2815 0.7524 1.3879 0.7073 0.8332 0.4281 0.1636 0.1636 1.8936 1.1668 3.1937 0.1636 2.8919 0.2234 38.1347 0.5494 0.1636 2.5888 0.1636 0.1636 0.5619 HWESASLLR 1.1962 0.9394 1 0.6224 0.2035 0.2178 1.0161 3.8144 0.2035 4.4823 0.2035 1.3377 0.2243 0.2035 0.2035 2.0044 0.7353 0.2035 1.1036 0.2035 0.3459 0.2035 0.2035 0.2035 0.3637 0.2035 2.0813 0.2035 0.2035 0.2035 2.099 0.3172 0.2035 0.5279 0.2035 0.6237 0.4946 12.045 0.2035 1.1244 0.2035 1 0.2035 0.2035 1.1079 HWESASXX* 1.9977 2.1005 0.592 3.2475 3.0552 1 0.4552 3.814 0.8636 4.8801 0.3616 2.1408 0.9816 0.3604 2.8964 1.1956 0.8793 0.5375 2.3763 0.7491 2.4041 0.1011 0.8354 0.2447 0.6235 7.4758 1.5397 0.1011 6.9402 0.6275 4.1967 0.122 4.6679 1.3536 4.0782 1 0.4438 2.013 1.6833 2.8982 0.1835 0.6044 0.563 0.2571 0.4174 hydantoin-5-propionic acid 0.5465 0.5889 0.5465 0.5465 0.5465 0.5465 0.5465 0.5465 1 0.5465 0.5465 0.5465 2.0291 0.897 3.2054 0.5465 0.5465 0.5465 0.5465 0.5465 0.5465 0.5465 0.5465 0.5465 0.5465 2.5594 0.5465 0.5465 0.5465 0.5465 0.5465 0.5465 0.5465 0.5465 0.5465 0.5465 0.5465 0.5465 0.5465 0.5465 0.5465 0.5465 0.5465 0.5465 0.5465 hydroquinone sulfate 6.2435 1.0311 2.6824 0.2468 0.3915 0.2468 0.2468 0.2468 1.1302 0.2468 0.4384 0.837 1.4426 0.2468 0.7398 0.2468 0.9423 0.714 2.7226 0.6007 0.7524 0.5151 1.139 0.2468 1.4751 2.1386 0.9689 4.4356 0.8023 0.2468 1.1977 0.2468 4.6879 0.2468 2.0685 0.2468 0.2468 0.6184 0.3514 0.2468 3.0302 0.2468 0.2468 0.2468 0.2468 hydroxybutyrylcarnitine* 0.1587 0.7615 0.1587 0.1587 0.1587 1.6494 16.8574 0.1587 1.1884 0.2922 0.1587 3.09 4.1453 0.1587 0.1587 0.1587 0.3402 0.1587 0.1587 0.1587 0.1587 0.1587 0.8116 0.1587 0.1587 0.1587 0.1587 0.1587 0.1587 2.6653 0.1587 1.1099 0.7632 1 0.1587 4.9145 0.6292 0.365 0.5592 1.9357 1.0356 0.1587 0.1587 0.1587 0.8928 hydroxycotinine 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 0.297 2.2413 0.297 3.7438 0.297 0.297 0.297 0.297 0.297 0.297 1 0.297 0.7675 hypoxanthine 1.2727 0.5725 0.8587 1.2356 1.0582 0.4681 0.3964 0.4371 0.9464 0.8836 0.7414 1.2435 1.4426 1.2026 1.0559 0.7684 1.791 1.0299 1.2537 1.1089 0.8326 0.9831 0.9162 0.8232 0.6829 1.2454 1.363 1.0169 1 0.517 1.4089 2.0294 0.9456 0.9667 1.0106 0.6973 1.3295 1.0698 1.5573 1.2983 0.6871 0.867 1.6525 0.5812 0.9146 imidazole lactate 0.5782 0.8196 0.4723 1.064 1.0693 2.4511 1.6438 0.6595 0.7124 0.8602 1.1471 1.4464 1.4663 1.9807 1.8542 0.4416 0.5882 0.7257 0.5484 0.6351 0.6252 0.936 1.4189 0.8731 1.4741 1.1033 1.3955 1.2422 0.653 0.2832 1.0215 0.5278 1.1316 1.0087 2.0831 1.5885 0.9217 0.8204 2.8365 0.9913 0.2832 1.1104 1.6413 0.4455 0.4733 indole-3-carboxylic acid 0.5316 3.9339 0.2613 1.3791 0.9287 2.7963 2.9729 0.333 0.4957 6.1069 0.1403 1 0.7671 2.0117 0.1403 1.023 0.8424 0.1403 0.2733 2.2079 0.2399 0.6418 0.1403 3.7558 4.1932 0.3649 2.1619 0.1403 0.1403 0.6977 0.4232 2.776 0.1403 3.0904 0.1403 4.9989 0.7184 0.5721 0.6928 3.8075 1 0.8633 3.8743 1.4091 1.6007 indoleacetate 1.5814 2.6862 0.6498 0.9606 0.6103 0.6528 0.4891 0.8536 1.2154 0.6962 1.6371 1.4283 3.7338 2.4534 4.9645 0.932 1.6878 0.6979 0.5535 1.0394 1.4554 0.9044 1.1468 0.3951 0.872 4.9819 1.8641 0.9327 0.9314 0.0841 1.3653 0.8191 2.4266 1 1.2511 1.5442 0.8375 1.1025 1.6879 1.9241 0.5528 0.6829 1.4771 0.7379 0.8651 indoleacetylglutamine 0.574 1.4884 0.155 0.3241 0.155 0.155 0.155 0.155 0.2014 0.155 1.8103 1.6545 4.6217 1.844 6.2107 0.155 0.2153 0.7259 0.2854 0.9616 1.1014 0.155 0.155 0.4616 1.0384 1.7849 2.4249 0.4776 0.155 0.155 0.8554 0.155 1.2968 0.5464 0.8554 1.4469 1.0351 0.9649 1.5809 1.04 0.427 0.155 1.1814 0.2718 0.155 indolelactate 1.2271 1.136 1.016 1.4441 1.1484 2.1726 0.984 0.6822 1.1029 0.4615 1.0525 1.0787 1.6224 1.4092 1.2299 0.6324 0.9238 0.7134 0.677 0.5115 0.7972 0.7627 0.8637 0.5672 0.7863 0.751 1.3151 1.5491 1.0553 0.2984 0.9939 0.9956 1.5686 1 1.4985 0.472 1.0045 0.7908 4.3434 1.0582 0.6178 1.1877 1.9981 0.9776 0.5021 indolepropionate 0.6336 0.9356 3.3337 0.4587 1.1719 1.6599 0.951 0.1433 1.752 0.5523 1.8242 0.6446 0.4339 0.9159 0.6601 1.1572 0.8374 0.582 2.4124 1.049 1.0652 1.2313 1.726 0.4893 0.7018 3.2172 1.3423 1.4226 5.5407 0.114 0.975 2.2235 3.6798 0.9734 0.6027 0.1082 1.8923 1.5224 1.2222 0.9588 1.7991 2.8701 0.7976 0.3479 1 inosine 0.3446 1.61 1.7183 0.8131 0.3384 0.6131 1.0235 0.3666 1.217 1.1899 1.485 0.9592 1.1176 1.4922 1.1389 0.9765 3.6589 2.042 1.0653 0.9374 0.5746 1.4332 0.3983 2.4793 0.3433 0.0389 0.5717 0.7312 0.0338 1.164 1.7413 3.1939 0.2371 1.4487 0.0447 0.9565 1.6926 0.8195 2.49 0.5502 0.641 1.5439 1.9074 1 0.8941 inositol 1-phosphate (I1P) 0.9325 0.6591 1.0174 0.977 0.8807 1.9923 0.7178 0.633 0.8715 1.0405 1.7467 1.0016 1.8025 0.9694 0.5812 1.3763 0.9984 1.2779 1.4878 1.0725 1.1179 1.4551 2.0458 0.5926 0.4152 0.3734 0.551 1.5993 1.0305 1 2.1231 0.8441 0.3734 1.2002 0.997 0.975 0.3734 0.3734 0.5168 1.8749 0.3734 0.3734 1.4579 0.8398 0.3734 isobutyrylcarnitine 0.9165 1.3742 1.0459 0.5403 0.3143 0.2296 0.2064 0.8344 1.5784 0.9058 1.5601 0.4116 1.6988 2.137 1.3817 1.2654 0.8442 0.8868 0.7153 1.5116 3.1153 0.783 1.5163 0.9541 1.7287 2.0329 0.7348 1.3638 0.4791 0.0748 1.4991 1.2378 1.4696 0.6628 1.31 0.1321 1.4688 1 0.5598 1.2734 1.9121 0.8302 0.5163 0.651 1.4317 isobutyrylglycine 0.7473 1.3509 0.6089 1.004 0.3837 0.5331 1.0108 0.4504 1.1256 1.2069 0.7742 0.4217 1.5835 1.2367 0.4561 0.6987 1.1605 0.7152 0.3837 0.4801 2.1444 0.4404 1.612 0.5781 1.3466 1.7249 1.0355 0.996 1.1647 0.3837 1.1954 1.7666 0.7286 0.7704 0.9902 0.8766 1.3229 1.1735 1.3176 1 1.0631 1.1597 0.9377 0.4122 0.6422 isoleucine 0.5661 1.0728 1.1696 0.9353 1.2291 0.4831 1.2656 0.4858 1.0534 1.1221 0.4386 1.0869 0.9794 0.4562 0.1513 0.6028 1.0206 0.5449 0.4798 1.0809 1.0449 0.4441 1.022 1.231 1.0757 0.1839 1.0658 0.4385 0.1443 0.6708 0.2443 1.1557 0.1567 0.9893 0.2261 1 1.0603 1.1928 1.1341 0.9793 1.3766 0.9983 1.2067 1.2506 1.2843 isoleucylleucine 1.1567 1.0658 0.8512 1.9092 1.5776 0.5141 0.2973 1.0398 0.8635 1.5576 1.4754 1.7197 0.6901 1.0006 0.5719 0.9998 2.7866 0.4909 2.023 0.7336 0.9229 1.0002 0.7467 0.6652 1.1616 0.5918 1.4521 0.5417 0.7815 0.6053 4.625 2.3733 1.485 2.9522 1.0457 0.5691 0.6066 0.7527 4.7475 1 0.7413 2.0077 1.5589 0.5592 0.8792 isoleucylvaline 0.1647 0.1647 0.1647 0.7016 3.636 10.8127 0.1647 55.6134 0.1647 101.3933 0.1647 137.9329 0.588 0.1647 0.1647 0.495 0.1647 4.1645 1.5412 0.1647 0.9872 0.1647 0.3094 0.3627 1.0128 0.1647 0.6973 0.1647 0.1647 0.1647 10.909 1.4139 0.1647 0.931 0.1647 0.5432 0.34 0.1647 2.9811 1.069 0.1647 0.3744 0.1647 0.1647 0.1647 isovalerate 0.9862 0.7606 0.0151 0.5179 0.2393 0.9545 0.6623 1.2274 0.8186 1.4944 0.6473 0.0151 1.2794 0.0151 1.5232 1.0061 1.2862 0.4956 0.0151 1.242 1.4368 0.8327 1.2661 0.8513 1.1895 1.6508 1.4971 1 1.0793 0.6442 0.8101 1.8928 0.9682 0.9945 1.8114 0.696 1.0055 0.2335 1.8483 1.1569 0.4637 0.0151 1.2689 0.6634 1.3452 isovalerylcarnitine 1.0338 1.9484 0.6024 0.4428 0.922 0.9191 0.4996 1.3868 2.5974 0.5669 1.0416 1.4283 3.4804 1.7693 3.2708 0.8541 1.6126 0.6132 0.3385 0.7122 0.9662 0.5671 1.6826 0.5213 0.6302 2.3677 1.3569 2.0669 1.2308 0.1828 0.6523 2.0157 1 0.482 2.7068 0.499 0.8488 1.526 2.6139 1.0462 0.6781 0.5126 1.0633 1.2565 0.8811 kynurenate 2.0331 1.8174 0.8996 1.0203 0.6497 0.5059 1.1622 0.315 1.436 0.9797 0.438 1.2271 2.2643 1.8385 1.3794 0.9178 0.7904 1.4509 0.6157 0.9167 0.8368 1.2793 1.0662 0.7897 1.1309 0.359 0.8411 1.3036 1.3647 0.9144 1.2378 0.7994 1.828 1 0.7919 0.2061 0.6467 1.337 2.4032 0.9381 0.7165 0.7692 2.2434 1.1886 1.2837 kynurenine 0.9528 1.1526 2.1254 0.9607 0.5849 0.8843 0.7566 0.5767 0.7841 1.5409 0.8376 1.7813 1.2412 1.5292 1.8812 0.8152 1.1709 1.1606 0.9322 0.9969 3.5734 0.8135 0.8563 0.9169 1.2419 1.7888 1.2009 1.0031 0.9204 0.6027 0.7199 1.1336 1.1849 1.0962 0.6959 2.3442 0.9358 0.7655 1.7371 1.4472 2.4571 3.2998 1 0.8353 0.7781 lactate 1.1606 0.9478 0.6503 1.2773 0.9994 1.5062 1.159 0.5319 1.144 0.8262 0.8334 0.9688 1.2109 1.3325 1.4513 0.886 1.25 1.0006 0.9385 1.2541 0.9065 0.8476 0.9928 0.8034 0.8206 1.1124 1.091 1.0786 1.5416 0.3542 1.0516 1.2054 0.9595 0.9193 1.2803 1.2607 0.9561 1 1.1359 1.5658 0.6942 1.1788 0.9137 0.7968 0.9022 laurate (12:0) 1.0713 1.4714 0.7161 0.8871 0.924 1.4141 1.6375 1.1816 0.8144 1.1417 0.8269 1.6047 1.4773 0.8944 0.8847 1.22 0.8113 0.9653 1.253 1.2083 0.9529 1.1791 0.886 0.7815 1.0324 1.0087 0.9913 0.945 1.1616 3.6117 0.8839 1.4352 0.8448 1.1035 1.0208 1.1973 0.9391 0.7372 1.206 0.7697 0.8454 0.7978 1 1.4154 0.93 laurylcarnitine* 2.6211 1.2769 0.784 0.8814 0.8825 1.1146 3.7456 0.8854 0.8694 1.7534 0.2602 2.2426 1.7481 1.8369 1.8936 1.8563 0.7243 1.4032 0.0588 0.2691 0.5381 1.4959 0.5259 0.246 0.0997 0.7514 1.8574 1.972 0.2885 1.3673 0.7977 4.64 0.3651 1.5641 0.4893 0.1232 1.5169 0.9312 1.8141 1 3.4394 0.0581 1.0323 0.3918 5.3536 leucine 0.9747 1.0277 1.0434 0.8349 1.1806 0.3657 1.1964 0.9533 1.128 1.1145 0.6677 1.0415 1.0182 0.6717 0.3366 0.8956 1.1563 0.9549 0.9069 1.0817 1.0196 0.3074 0.9999 1.1667 1.0001 0.3416 1.0496 0.8518 0.2587 1.1129 0.1739 1.0567 0.2028 0.9171 0.3374 0.8583 1 1.1205 1.1311 0.8712 1.1916 0.9126 1.1266 1.1141 1.1935 leucylleucine 1.7248 1.0113 0.5932 2.0444 3.0746 1.4436 1.2959 2.5023 0.5664 3.2208 0.3741 4.604 0.9887 0.4324 0.6748 1.0935 0.7872 0.3876 1.2316 0.7227 2.4818 0.2189 0.4853 0.3189 0.8829 2.1027 1.4118 0.0542 1.9776 0.6497 3.3243 1.5738 0.8761 1.2576 0.7769 0.6615 0.0542 3.7225 3.4159 2.1396 1.1239 0.5602 0.8434 0.5753 0.7688 linoleate (18:2n6) 1.6482 0.584 0.9216 0.936 0.861 0.6086 2.2422 1.2175 0.7648 2.6632 0.4063 4.3273 7.2045 1.2916 0.7177 0.9513 0.522 1.6884 1.1624 1.0954 0.9776 2.5443 1.1053 0.4718 0.5994 1.0224 0.6793 2.3411 2.1428 0.9956 1.7601 2.5357 0.8173 1.8699 1.1487 0.7929 1.3803 0.4802 1.8686 0.6855 1.6788 0.8843 0.9245 0.3664 1 linoleate, methyl ester 0.226 0.3008 0.226 0.226 0.226 0.226 0.226 0.226 1.4479 0.226 0.226 0.226 0.2269 0.226 0.226 0.226 0.226 0.226 0.226 0.226 0.5521 0.226 0.268 1.5028 1.8583 3.0258 3.4279 0.226 0.226 0.226 0.226 0.226 0.5971 0.226 0.226 0.226 0.6361 0.226 1.6234 0.226 0.226 0.226 0.226 0.226 1.3639 linolenate [alpha or gamma; (18:3n3 or 6)] 0.8729 0.6103 0.4697 0.4658 0.6519 1.4529 2.3415 1.4008 1.1123 4.3618 0.7328 4.043 5.4023 1.2233 0.5651 2.3718 0.4455 2.0103 1.4358 1.9164 1.1604 2.2503 0.7104 0.5695 0.5671 0.7219 0.8877 0.8255 1.7418 0.5985 0.6583 3.1158 0.3317 2.7256 0.8165 1 1.0853 0.3201 3.0041 0.6649 1.1461 0.5049 1.6242 2.0457 0.8114 linoleoylcarnitine* 1.0488 1.0668 1.1806 1.1018 0.8472 0.63 0.5804 0.8762 1.9028 2.0104 0.5684 1.6626 0.8563 1.4459 1.3666 1.4988 1.2406 0.852 0.9619 0.7308 0.6984 0.7786 0.9294 0.4819 0.9382 1.0381 3.7095 1.2368 1 0.1115 0.5547 2.1128 1.6725 0.7389 2.0582 0.6792 1.5825 1.4698 0.816 0.7333 3.0988 1.2296 1.1901 0.3428 0.7591 L-urobilin 4.5363 16.9998 0.2271 0.3187 2.2453 0.2271 8.7686 0.2271 0.2271 0.2271 0.2271 4.3953 6.5247 4.7644 0.3232 0.2271 1 0.2271 0.2271 0.9008 0.3675 0.2271 0.2944 0.2271 0.2271 0.2271 0.3476 0.2271 0.2271 0.2271 0.7127 0.2271 0.4215 1 3.5313 0.2271 0.2271 0.6488 0.2271 0.2271 3.119 0.2271 0.2271 0.2271 5.0862 lysine 0.9394 0.9274 0.9056 0.9708 1.0272 0.9079 1.0219 1.0883 1.1295 1.1425 1.0028 1.2748 1.0934 0.9882 0.3795 1.2649 1.0718 0.9426 0.9239 1.0927 1.2018 0.9972 0.9215 1.0267 0.9855 0.3355 1.0781 0.9104 0.24 0.9606 0.844 1.0224 0.297 1.0174 0.3503 0.9179 0.9799 1 1.0005 0.9517 1.069 1.0771 1.0357 1.1504 1.0499 malate 0.9404 0.6822 0.5199 1.1563 0.9544 3.2878 3.3766 0.5009 1.5321 1.0456 0.9384 1.1766 1.1867 1.4524 1.8739 0.6641 1.1719 0.7265 1.3569 0.9426 0.6286 0.5758 1.1412 0.7319 0.8512 1.14 1.1142 0.9241 1.1242 0.4964 1.1318 1.0928 0.5431 0.58 0.7826 1.6866 0.5096 1.0092 1 1.0812 0.7657 1.0657 1.1639 0.5176 0.968 mannitol 0.8831 3.2698 0.4995 0.8693 0.9605 1.5466 1.2469 0.4419 0.7755 1.623 1.4558 4.9727 0.8913 4.9914 0.9852 1.6714 0.7815 1.0148 0.7672 0.4431 0.4739 0.664 1.1647 0.7328 1.4977 9.8916 1.1102 1.0723 0.6324 0.4419 1.0945 0.7853 0.7452 1.1715 0.8948 1.4901 0.9055 0.8929 1.3269 1.8708 1.2747 1.3084 0.873 0.873 1.1922 mannose 1.0531 1.4544 0.7099 0.9848 0.5571 0.9198 1.2438 0.9861 0.729 1.0915 0.9548 1.0139 1.5487 1.2311 1.3061 1.1442 0.8818 0.9365 0.7536 0.6637 1.0353 1.0809 0.6305 0.8487 1.1653 1.4366 1.3911 0.9598 1.27 0.9652 1.8002 1 0.6247 1.5757 0.5895 1.0144 1.6212 0.507 2.9194 1.3401 0.72 0.7597 0.7937 0.9063 1.382 margarate (17:0) 0.9101 1.0133 0.7215 0.9305 0.9747 0.9255 2.9798 1.0516 1.0903 1.9598 1.0697 2.2285 3.905 1.114 0.973 0.8092 0.8862 1.0357 0.8976 1.6224 1.2984 1.5516 1.0914 0.9867 0.7832 0.7765 0.946 0.9552 1.5052 1.2637 1.0014 1.4239 0.7736 1.5885 0.9451 0.7471 1.2291 0.7649 1.1495 0.9322 1 0.7343 0.9836 1.0764 0.9726 mead acid (20:3n9) 1.0326 0.8407 0.6989 0.6639 0.5001 2.3697 16.3471 0.8836 1.2394 9.4132 1.4491 2.2911 5.0126 2.6628 1.9519 0.9399 0.8462 0.6921 0.5074 0.831 2.099 1.5125 1.2093 0.2706 0.5298 1.2499 0.6085 0.9674 1 0.9092 0.3486 1.9173 0.5276 1.7627 1.0303 0.2585 2.5726 0.4426 2.306 0.8048 1.0541 0.5878 1.9168 0.6788 1.5543 methionine 0.9465 0.8342 1.1041 0.928 1.2167 0.9274 1.2127 1.1488 1.1572 0.9923 0.9378 1.1626 1.0512 0.9917 0.3038 0.8785 1.1631 1.0889 1.0889 0.8429 0.7922 1.1794 1.0443 1.1526 0.9495 0.3476 0.9639 1.0077 0.204 1.282 0.6426 1.0134 0.3285 0.8346 0.3253 0.8523 1 1.1881 1.0006 0.8918 1.3255 1.0313 1.1238 1.1926 0.9859 methyl glucopyranoside (alpha + beta) 0.1198 0.8349 1.1225 0.6618 0.1198 3.7116 2.0427 0.2256 0.555 0.2424 0.8761 0.1198 0.1198 1.2039 1.9256 0.1198 0.1198 0.2172 1.0116 0.8984 0.5531 1.0322 1.2024 0.9884 1.523 1.3959 0.1198 2.6071 0.8812 0.1198 2.686 0.9056 1.8114 1 2.6217 7.1533 0.8698 0.432 0.9057 1.4511 0.8847 1.9734 13.1591 0.1198 0.6326 methyl indole-3-acetate 0.1371 1.7064 0.1371 0.1371 0.1371 0.1371 0.1371 0.1371 0.1713 0.1371 0.7871 0.4218 4.3615 1.7667 1.98 0.1371 0.1371 0.1371 0.1371 0.1371 0.1371 0.1371 0.1371 0.1371 0.1371 1.2129 0.1774 0.1371 0.1371 0.1371 1.278 0.1371 0.7881 0.6676 0.1371 0.1371 0.1371 0.1371 0.1371 0.1371 0.1371 1.2119 0.1371 0.1371 0.1371 myo-inositol 1.0168 0.9257 1.068 0.9065 1.2363 1.0554 1.1034 1.0696 1.0493 1.0904 0.8589 1.0627 0.9105 0.8177 0.1756 1.309 0.9936 0.9651 0.9674 1.0339 1.0908 1.0264 0.8935 0.9828 1.0064 0.0866 0.8773 0.8661 0.0582 1.3617 0.6021 1.144 0.0721 0.9459 0.0703 1.0091 0.9522 1.1422 0.8731 0.7501 1.3657 1.0595 1 1.244 1.1625 myristate (14:0) 1.0196 1.3307 0.6296 0.8852 0.9173 1.7017 2.7999 1.2505 0.9878 2.1695 0.8416 2.5968 4.0759 1.0877 0.8159 0.9263 0.7599 1.4336 1.3949 1.6973 1.0122 1.6214 0.872 0.7355 0.7858 0.9872 0.7954 0.8368 1.2659 1.8145 0.7281 1.8057 0.6146 1.9363 1 1.0271 1.1466 0.7177 1.47 0.6715 0.8721 0.6705 1.1844 0.9973 0.8511 myristoleate (14:1n5) 1.983 1.2919 0.3344 0.5612 0.3421 3.2601 6.1702 1.7642 0.6216 3.9531 0.5983 3.2298 4.0965 1.701 0.8276 1.2405 0.3476 2.1989 1.6143 1.1341 0.804 3.2602 0.4325 0.3238 0.289 0.8659 0.4419 0.7181 1.5042 1.0891 0.3698 2.1609 0.2156 2.56 0.689 0.4464 1.1328 0.2029 1.9427 0.2993 1.4818 0.1125 1.8815 0.7027 1 myristoylcarnitine 1.5342 1.7429 0.4271 0.6337 0.6768 1.5318 6.185 0.5478 1.6326 3.2505 0.5516 1.82 1.4718 2.7927 2.1015 0.961 0.8834 1.728 0.2034 0.5148 0.3882 1 0.6085 0.3116 0.2034 0.6005 4.0845 1.8763 0.4457 2.0006 0.4067 3.4977 0.9322 1.9049 1.8872 0.5813 1.7409 0.8598 1 0.4812 2.5834 0.3021 1.6377 0.43 2.8444 N-(2-furoyl)glycine 0.731 1.2925 0.2181 0.3784 0.6365 0.5197 0.0874 0.0874 0.5536 0.0874 1.1393 0.1854 0.9779 1.3135 1.5504 0.5776 0.4924 0.0874 1.6595 0.6838 1.0737 0.0874 1.6007 1.0221 1.8823 1.6008 1.3068 3.1279 0.0874 0.2495 3.4708 0.0874 0.7282 0.545 1.997 1.0946 0.0874 2.7853 0.9054 1.4914 0.4818 0.6125 0.2993 4.4758 3.8935 N1-Methyl-2-pyridone-5-carboxamide 0.4542 0.5409 0.903 1.5163 0.4611 0.4151 0.1575 1.8361 1.7586 3.3559 1.3202 3.3714 3.8631 1.2041 0.4904 1.3759 1.7915 1.6189 1.777 0.8257 0.649 2.0124 0.3841 0.9311 0.4863 0.8663 1.0689 0.9121 1.1343 0.1304 1.1011 0.6723 3.0518 0.4147 1.3158 0.1093 0.3531 0.4918 1 1.4983 1.3551 1.3138 0.3769 1.1885 0.3239 N1-methyladenosine 1.0288 1.0978 0.8249 0.8517 0.4648 1.0747 0.9005 0.6549 1.1286 1.6623 1.6038 1.2189 1.9371 1.474 1.8384 0.5156 0.9229 1.0125 0.6526 0.8853 0.9555 0.7201 1.1848 0.8838 0.8203 0.9875 1.4366 1.2512 1.1667 0.5333 0.9783 1.0477 1.241 1.0955 0.7517 1 1.053 0.8421 1.2128 0.7887 0.8616 1.1558 1.058 0.7425 0.7377 N1-methylguanosine 0.8036 0.9223 0.9426 0.857 0.4264 0.2116 1.1215 0.2116 1.438 1.1204 0.2116 1.2701 1.5089 1.5266 1.9279 0.2116 1.2408 1.0766 0.7258 1.2865 0.8184 0.7094 0.5416 0.658 0.8383 1.8568 1.7462 1 0.9438 0.2116 0.4097 1.4849 1.0607 0.837 1.4921 1.1986 0.5935 0.5933 1.8112 0.95 1.05 1.1502 1.2194 0.6066 0.5355 N2,N2-dimethylguanosine 1.2623 1.1304 0.6118 0.8134 0.8724 0.9705 0.883 0.5033 1.1583 1.3582 0.9891 1.3079 2.264 1.4084 1.6299 0.7269 0.8637 1.1632 0.871 0.814 0.9254 0.5709 1.1133 0.9817 1.0509 1.3472 1.3756 1.0109 1.3648 0.2814 1.1877 1.1022 1.1663 0.9188 1.5342 1.3798 0.7703 0.8662 0.594 0.8791 1.2397 1.2154 1 0.6495 0.7958 N4-acetylcytidine 2.0662 0.6726 1 1.6169 0.2719 0.4766 0.2719 0.752 1.4038 1.2941 1.4821 0.8476 1.4902 1.5834 2.9209 0.5707 0.8147 0.5005 1.0662 0.4316 0.5625 0.6631 1.1532 0.4536 0.6899 1.7168 3.9958 1.2309 1 1.0217 2.553 0.4034 0.4629 0.8646 1.1757 1.7954 1.175 1.2633 0.9378 1.5686 0.6681 0.8638 1.1062 0.2941 0.9122 N6-acetyllysine 1.1878 1.4585 0.6543 0.9169 0.634 1.0651 0.8062 0.4242 1.1067 0.9157 1.3959 1.2368 2.4923 1.6453 1.7055 0.6752 1.0029 0.8901 1.0864 0.9346 0.9869 0.7188 0.9971 0.8264 1.0649 0.894 1.3798 1.0349 0.9065 0.6234 1.3238 1.1574 1.2775 1 1.3196 1.1063 0.7307 0.8431 1.2177 1.1443 0.7626 1.2553 0.8719 0.6366 0.5826 N6-carbamoylthreonyladenosine 1.3609 1.5707 0.1856 0.5987 0.662 1.2601 0.8083 0.6127 1.2557 0.99 1.0088 1.1727 2.486 1.5735 2.0452 0.7123 1.2779 0.5816 0.9912 1.1755 0.2075 0.5386 0.5282 0.5956 0.8892 1.8315 1.1615 1.0676 0.5265 0.6586 1.3871 1 1.5293 1.0287 1.2773 1.1383 0.8303 0.4504 1.2706 1.0754 0.8511 1.0761 0.7665 0.4186 0.7322 N-6-trimethyllysine 1.8201 1.1405 0.1081 0.835 0.3483 1.7585 0.2028 0.2472 0.8595 1.2483 2.0395 1.167 1.8731 2.5217 2.7727 0.839 1.1681 0.8511 1.2206 0.5719 0.5936 0.4467 0.6301 0.5543 0.6878 1.8252 1.9795 1.2405 1.5133 0.1081 2.0194 0.9949 2.4774 0.8435 1.4711 0.4039 0.581 0.5566 1.0051 1.1849 0.5219 1.9137 1.096 0.2077 0.4798 N-acetylalanine 1.3227 1.1087 0.4183 0.7877 0.6986 1.1404 0.8836 0.6924 1.3382 0.9106 1.3397 0.98 1.5051 1.7669 1.7475 0.7663 1.1204 0.9442 1.3561 0.8927 0.9822 0.834 1.0178 0.8052 0.965 1.4435 1.0994 1.0312 1.0838 0.5031 1.2716 0.9273 1.2989 1.1207 1.0877 1.073 0.7648 0.9663 1.5896 1.5588 0.6997 1 0.871 0.5787 0.6551 N-acetylalliin 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 1 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 1.6673 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 0.3327 N-acetylarginine 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 1 0.6457 0.6457 0.6457 0.6457 0.6457 4.068 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 0.6457 N-acetylaspartate (NAA) 1.1556 1.0421 0.4787 1.0239 0.3795 1.5342 0.5369 0.2467 1.3244 0.7385 1.1996 1 1.8061 2.226 1.2325 0.5857 1.6408 0.9329 1.7232 0.991 0.8424 0.6064 1.2846 0.9502 0.6817 1.0092 0.637 0.6766 1.7524 0.2467 2.0698 0.7175 1.0962 0.9423 1.0282 0.2467 0.6906 1.041 1.2278 1.3202 1.1657 0.8892 0.9718 0.3736 0.762 N-acetyl-aspartyl-glutamate (NAAG) 0.5003 0.7898 0.5003 1 0.5003 0.5003 0.5003 0.5003 0.9675 0.5003 0.5003 0.5003 0.831 0.8917 0.7772 0.9255 2.2434 1.1006 1.1909 1.1517 0.5003 0.5003 1.0532 0.5003 0.5003 4.0344 1.327 0.6083 1.0286 3.5647 0.5003 0.7606 1.3263 0.8048 1.1887 0.5003 1.023 0.5003 1 0.5903 0.5003 0.953 0.5003 0.5003 0.5003 N-acetyl-beta-alanine 2.0613 1.5479 0.5628 1.0747 1.447 1.1572 0.9247 0.324 1.1344 0.2723 0.9949 1.0617 1.7538 1.791 1.8474 1.1746 1.6912 0.7538 0.8903 0.7542 0.268 0.8072 1.1689 0.5082 0.873 0.9457 0.8773 1.0051 1.0066 0.6352 0.7143 1.3829 1.1549 1.0522 1.5882 1 1.1113 0.7042 1.6186 0.8359 0.5293 0.5396 3.1266 0.781 0.3758 N-acetylcarnosine 1.2016 0.8649 1.0454 2.0266 0.366 1.5252 0.9569 0.8834 2.2065 0.9562 1.4843 0.722 1.4873 1.2886 1.1347 0.5679 0.9864 0.8911 1.4465 0.7419 0.6168 0.6872 1.0136 0.7222 0.6923 2.0155 2.8293 1.0587 0.6645 0.366 1.2408 0.9435 3.9055 0.4014 1.5723 0.7848 0.9844 1.4487 1.5532 1.4735 0.4624 1.0705 1.0156 0.9551 0.7181 N-acetylglutamate 0.9909 0.9429 0.9312 0.5219 0.3866 1.6589 2.6185 0.3866 1.3413 0.6179 1.8262 0.8267 3.9228 2.4521 0.785 0.3866 1.8189 1.0087 1.073 1.1326 0.3866 0.9913 1.705 2.5926 0.4766 0.8943 0.3866 0.7712 0.544 0.7541 1.9208 0.6416 2.2387 1.6702 2.5645 1.2278 0.7722 2.6599 1.6575 0.4871 0.3866 0.3866 0.6635 0.3868 0.3866 N-acetylglutamine 0.8802 1.1322 0.5314 1.1583 0.5869 4.2703 2.8845 0.4355 0.185 0.6056 0.185 1.0863 1.3772 0.8698 0.776 1.4873 0.8753 1.0038 1.2456 1.0872 1.6361 0.3538 1.0142 1.6676 0.7611 0.7351 1 0.6695 0.1955 0.7857 0.9909 0.8685 1.0455 1.8375 0.185 3.9474 1.0289 1.0091 3.3706 1.4445 0.706 1.12 0.754 0.6391 0.9504 N-acetylglycine 0.8948 0.7257 0.3595 1.2041 0.5081 7.3762 2.8273 0.6661 0.987 1.0251 1.1036 1.5577 1.7851 1.6493 1.6996 0.6086 0.9176 1.1904 1.013 0.6734 0.4732 1.2417 0.8037 0.8437 0.8045 0.8885 1.4269 1.048 0.5872 0.4101 1.3622 1.0815 0.9902 1.526 1.0675 3.5505 1 0.9715 1.5726 1.1531 0.5945 1.6559 0.602 0.355 0.5581 N-acetylhistidine 0.8356 1.2015 0.3841 0.5478 0.3841 1.3998 0.5851 0.5525 0.99 1.3487 1.1639 0.8626 2.2316 1.01 6.1481 0.3841 0.6153 1.2565 0.8934 0.9296 0.3841 0.3841 1.0442 1.331 1.4674 0.4627 1.1135 0.9746 0.3841 0.519 0.5364 0.9962 1.5609 1.898 0.9183 1.7001 1.076 0.7038 2.4542 1.0038 1.4643 0.592 1.4236 0.8634 0.8311 N-acetylisoleucine 0.9205 0.8526 1.1942 0.4804 0.7249 1.6979 1.5585 0.7345 1.2736 0.5741 1.0492 1.097 1.4611 1.2747 0.9026 1.2887 1.1908 0.9684 1.1516 0.6078 1.009 0.6432 0.991 0.8334 0.9721 0.8874 1.2685 1.4659 0.1274 1.0228 1.0742 0.5219 0.9192 0.5991 1.1699 0.7667 0.6143 1.0706 1.4509 1.2631 0.8283 0.6114 1.0723 1.0567 1 N-acetylleucine 0.9915 1.2242 0.8985 1.0085 0.9093 1.6521 2.4107 0.6971 0.9344 0.6407 0.7573 1.0175 1.5597 1.2335 0.9169 1.2126 1.6553 1.0383 1.0807 0.952 1.7046 0.6313 0.8686 1.1041 0.5412 1.0659 0.8301 0.8269 0.5412 1.3153 1.1676 0.9585 0.9325 0.9728 0.8724 1.2272 1.144 1.434 2.0919 0.9026 1.0272 0.9062 0.8628 1.0961 0.7033 N-acetylmethionine 0.8017 1.6903 0.3837 1.0079 0.6377 1.0092 0.9669 0.7597 1.2599 0.6628 1.1037 0.5196 1.5758 1.4805 1.8982 0.7029 1.3588 1.0837 1.2843 0.5001 0.8206 0.4248 1.0231 0.7842 0.9165 1.2934 0.9921 1.2332 1.3888 0.1297 1.3597 0.7542 1 0.5505 1.0663 1.1057 0.6929 1.2539 1.1528 1.9542 0.6071 1.1587 0.4507 0.3941 0.5305 N-acetylmethionine sulfoxide 0.2491 1.384 0.2491 0.2491 0.2491 0.2491 0.2491 0.2491 1.1816 1 0.2491 0.2491 0.2491 0.2491 0.2491 0.2491 0.2491 0.2491 0.2491 3.5787 0.2491 0.2491 0.6476 0.2491 0.6041 0.2491 0.2491 0.6587 0.2491 1.9644 0.2491 0.2491 0.2491 1.4666 0.2491 0.2491 0.5334 0.2491 0.3433 0.2491 0.2491 0.2491 0.2491 0.2491 1.762 N-acetylphenylalanine 0.8794 1.457 0.7635 0.8625 0.5346 2.4628 2.3513 0.5796 1.2889 0.8377 1.1429 0.5724 1.5257 1.4577 2.0817 1.216 2.0295 0.6874 0.7554 0.6004 0.7839 0.4983 1.0683 1.1081 1.2166 0.9654 0.8712 1.0346 0.5676 0.5633 0.5555 1.1854 1.0394 1.4371 0.9016 1.8871 0.5538 1 3.2774 0.7051 1.0265 0.6203 2.7379 0.9354 1.3519 N-acetylthreonine 0.9671 1.0895 0.602 0.939 0.621 0.9754 0.6356 0.8489 1.2832 0.9741 1.1275 1.1557 1.9369 1.2873 1.6049 0.8146 0.98 0.9574 1.1248 0.9355 1.0317 0.654 1.1372 0.8422 1.0649 1.6147 1.3773 1.02 1.1241 0.4656 1.1944 1 0.761 1.0459 0.9518 1.0226 1.0063 1.0443 1.4954 1.1283 0.7078 0.9638 0.7439 0.531 0.8241 N-acetyltryptophan 0.9807 0.1642 0.7238 0.5523 0.1642 4.5971 2.3828 0.1642 0.7929 0.2514 1.3636 0.1642 0.1642 1.3746 1.3466 1.5008 1 0.1642 0.1642 0.1642 0.819 0.1642 0.6302 0.1642 1.1027 0.1642 2.2934 0.1642 0.7853 0.1642 0.1642 1.8209 0.8375 1.6943 1.592 0.445 0.5212 1.5846 5.9219 0.4117 0.1642 0.4049 3.5755 1 0.1642 N-acetyltyrosine 0.4303 2.3723 0.7974 0.3459 0.3459 0.3459 2.2001 0.3459 1.2463 0.4207 0.3459 0.5436 1.6052 0.3459 1.0767 1.0709 3.3982 0.3459 0.3459 0.3459 1.1583 0.3459 0.3626 0.9291 0.8081 0.4707 1.2863 0.3459 0.5591 0.3459 0.3459 0.8021 1.1437 0.8911 0.6007 1.823 0.3459 0.5762 2.0961 0.3459 0.3459 1.1089 1.2783 0.5936 1.1562 N-delta-acetylornithine 0.7275 0.6362 0.6256 1.1836 0.1429 1.5312 0.7575 0.8816 3.5691 7.6285 11.5384 0.9413 1.811 3.5777 2.984 0.2822 0.2065 1.0511 0.4975 1.3335 0.7424 0.1584 1.1606 0.4099 0.9489 1.649 8.9968 1.6967 1.6923 0.1429 3.3752 0.6278 0.5554 0.9676 2.9622 1.0324 0.4371 0.4676 1.5297 1.1842 0.8949 1.6941 0.5863 0.3112 4.4884 N-formylmethionine 1.0484 0.9982 0.793 0.9573 0.6906 1.5614 1.3196 0.6965 1.1371 0.867 1.249 0.9702 1.4719 1.6298 1.9088 0.8173 1.2506 1.0018 1.1741 0.7606 0.9442 0.7712 0.9475 0.8393 0.9917 1.4257 1.2393 1.2523 1 0.4922 1.1815 0.8509 1.2304 1.0956 1.1035 1.2075 0.8787 0.9349 1.3684 1.2952 0.6654 1.1447 0.992 0.7493 0.739 nicotinamide 0.9405 0.9674 1.2894 0.8272 1.2182 1.0065 1.1504 1.0217 0.9935 1.1122 0.7855 1.0429 0.7319 0.8043 0.0266 1.1907 0.8728 1.202 0.9854 1.0705 1.1556 1.0245 0.9773 1.1664 1.1046 0.0111 0.958 0.9215 0.0132 1.4655 0.5458 1.1472 0.0207 0.8945 0.0374 1.0204 1 1.0832 0.8837 0.8353 1.4465 0.9982 1.1802 1.3027 1.2918 N-methyl proline 3.0124 0.6417 2.6503 2.3481 0.1553 0.546 0.2602 1.2642 2.5824 0.5756 1 0.3214 1.127 1.6112 7.9238 1.0249 0.6864 0.1553 2.2588 0.4009 0.5874 0.6306 0.5614 1.8321 1.3492 0.8448 0.7135 7.0901 1.1379 0.1553 1.1089 1.5673 1.5038 1.0917 0.9083 0.1784 0.4982 4.2022 0.4474 1.7779 1.8058 0.4412 0.6572 0.6532 0.1914 N-oleoyltaurine 0.4549 0.4549 0.4549 0.4549 0.4549 0.4549 7.242 0.4549 1.0537 2.0282 0.5623 1.48 0.8541 0.4549 0.4549 0.4549 0.4549 0.6073 0.4549 0.4549 0.4549 0.4549 0.4549 0.7541 1 1.917 0.4549 0.4549 0.4549 0.4549 1.1108 1.0639 0.4549 0.4549 0.4549 0.4549 0.8688 0.4549 1 0.6192 0.4549 0.4549 0.4549 0.4549 0.4549 nonadecanoate (19:0) 0.9399 1.1402 0.7701 1.0719 1.0169 0.9142 2.3648 1.1221 1.0348 1.3728 0.9831 1.4387 1.7801 0.8686 0.872 0.8499 0.9624 0.852 0.9149 1.0723 1.1209 1.2475 1.1402 0.9462 0.9449 1.0574 0.9191 0.9744 1.3944 1.1054 0.9646 1.2586 0.9352 1.4639 0.9627 0.8315 1.2427 0.9566 1.1724 0.9424 1 0.8184 0.9018 1.0365 1.0099 N-palmitoyl glycine 0.8861 0.5548 0.883 0.5707 0.2512 1.4927 2.5445 1.06 1.8343 1.8734 1.2377 1.9578 2.0851 0.9288 0.8244 0.4103 0.5099 1.9603 1.5263 0.4947 0.4094 1.3837 1.1499 0.4705 1.2857 1.7484 0.94 0.7896 1.5897 0.469 2.6089 2.1847 0.9863 1.0561 1 0.4774 1.4011 1.0464 1.2878 1.1665 0.4917 0.4678 0.8852 0.4533 0.9519 N-palmitoyltaurine 0.6996 0.5965 0.5965 0.5965 0.5965 0.5965 2.2941 0.5965 0.5965 0.5965 0.5965 1.1121 0.5965 0.5965 0.5965 0.5965 0.5965 0.5965 0.7888 0.5965 0.5965 0.5965 0.5965 0.5965 0.5965 1 0.5965 0.5965 1 0.5965 1.309 0.8738 0.5965 0.5965 0.5965 0.5965 0.5965 0.5965 1.2551 0.5965 0.5965 0.5965 0.5965 0.5965 0.5965 o-cresol sulfate 1.2202 1.6305 1 0.3935 0.2511 0.8583 0.1378 0.4549 1.6734 0.5363 0.1378 0.2391 1.2081 1.9464 4.2067 0.8743 0.1378 0.404 2.2417 0.6187 1.3323 0.5677 6.126 1.9449 4.095 0.9068 0.955 2.8171 0.3878 0.1378 1.7422 0.1378 1.9213 2.4555 1.0074 9.2917 0.2908 0.7717 0.5319 0.9926 0.8479 0.828 1.1906 2.163 1.5857 octadecanedioate 0.9646 0.983 1.2409 0.9663 0.6888 1.1697 1.9518 1.1972 0.7163 1.3359 0.799 1.2435 1.321 1.1793 0.4438 0.6963 1.4079 0.8881 0.8408 0.8256 0.8241 0.914 1.6386 1.2755 1.2133 0.9051 1.017 1.153 0.7902 1.2835 1.1355 0.8649 1.3609 1.5301 0.63 1.0394 0.7422 0.7328 1.1582 1.0656 0.6254 0.833 0.7752 1.1233 1 octanoylcarnitine 4.9902 1.6706 0.4362 0.852 0.7746 1.5529 2.3665 1.5451 1.0279 0.9721 0.3965 2.8314 3.5219 1.6809 1.3751 1.8232 0.7406 1.2112 0.3567 0.6182 0.6778 1.5826 0.3858 0.4468 0.2098 0.687 0.8439 2.303 0.542 0.8079 1.5586 9.1619 0.5886 4.9262 0.654 0.4778 2.5775 0.7708 4.5752 1.0282 4.7983 0.3339 1 0.7765 9.2869 oleate (18:1n9) 1.2096 0.9563 0.6571 1.1325 0.8068 1.1688 5.45 1.5631 0.6458 2.4397 0.6043 3.5484 6.1247 1.4511 0.6961 0.7028 0.5871 1.4912 1.0437 1.1274 0.9001 2.4023 0.9076 0.7832 0.8785 0.6702 0.735 1.2397 1.0779 1.5776 1.0537 1.8065 0.2539 2.8227 0.9079 0.5774 1.3889 0.265 1.7681 0.6821 1.3322 0.4061 0.987 0.6311 1 oleic ethanolamide 0.6944 0.9322 0.6544 0.291 0.856 2.0239 2.6938 0.605 1.1992 1.7601 0.7544 1.2522 2.7579 1.3268 1.0678 0.1191 0.6436 1.4793 1.1178 0.4675 0.3331 1.3832 1.2701 0.7532 0.6575 2.7377 0.6636 1.2972 1.3307 0.674 1.7369 1.5171 1.6564 1.1509 0.1232 0.6623 1.6417 1 1.2112 1.2878 0.9364 0.7387 0.7163 0.6123 0.9555 oleoylcarnitine 1.1304 1.3779 0.622 1.2535 0.7588 1.1188 1.6037 0.7344 1.3879 2.0556 0.5533 1.7472 0.9705 1.8661 1.6635 0.8499 1.1294 0.8272 0.7136 0.735 0.6703 0.8965 0.9661 0.7139 0.8452 1.0295 2.6757 1.0531 0.8121 0.4353 0.4035 1.9783 1.1 1.3339 1.6757 0.9058 1.8546 1.1987 1 0.7032 3.0705 0.8426 1.4729 0.6652 0.9642 O-methylcatechol sulfate 1.3271 0.7614 3.8004 0.1282 0.4022 0.1635 0.0623 0.8383 4.1231 1.0576 1.272 1.1784 0.8672 1.6649 1.589 0.9226 0.4317 0.4935 2.9399 1.508 1.7291 0.7058 1.066 0.2192 0.5122 0.9424 1.4952 3.7852 0.7636 0.0623 0.869 0.6216 2.3739 5.3483 1.1393 0.5539 0.9462 0.6771 1.6317 5.4523 3.6344 1.0158 0.9842 0.9485 2.0655 ornithine 1.3624 0.9291 0.8127 1.1191 0.9772 1.1053 0.8844 1.0824 1.1459 0.9612 1.0096 0.9598 0.9198 0.9198 0.4083 2.1713 0.9904 0.9031 1.0473 1.1291 1.763 1.412 0.7836 1.1211 0.8369 0.4944 1.4638 1.1126 0.6715 1.2421 2.213 1.1051 0.6803 1.1519 1.1867 0.7705 1.178 1.4449 0.9596 0.8908 0.8524 0.9479 0.909 1.0279 1 O-sulfo-L-tyrosine 1.1504 1.7704 0.7403 1.0075 0.9784 0.358 0.8855 0.5427 1.1606 0.8699 1.026 1.9439 3.1949 1.355 1.2534 0.6843 1.3901 0.4866 0.6281 0.9925 0.9613 0.1154 1.0793 0.9517 1.1313 2.2419 1.1743 0.7643 0.7532 0.089 0.1642 1.1192 1.1931 1.2294 1.2775 1.1573 0.9125 1 1.5019 0.9414 0.7001 1.1877 1.0459 0.5819 0.7449 p-acetamidophenylglucuronide 0.0202 1.9702 0.0202 0.0202 0.0202 0.0202 0.0202 0.0202 0.0202 0.0202 0.0202 0.0202 0.0202 0.0202 9.5304 0.0202 0.0202 0.0298 0.0202 0.0202 0.0202 0.0202 0.0202 0.0202 0.0202 0.0202 0.0202 0.0202 0.0202 1 0.0202 0.0202 0.0202 0.0291 0.0202 0.0202 0.0202 0.0202 0.0202 0.0202 0.0202 18.8399 0.0202 0.0202 0.0202 palmitate (16:0) 1.1056 0.9495 0.5901 0.9979 0.9797 1.1957 2.8251 0.8853 0.9553 1.776 0.8173 2.6103 3.8683 1.1473 0.796 0.6115 0.7044 1.4012 1.015 1.4865 1.0021 1.9037 1.2173 0.6618 0.6178 0.8961 0.8587 1.089 1.4093 1.1689 1.0527 1.4153 0.6692 1.8586 0.9912 0.6646 1.4013 0.5849 1.3157 0.752 0.8997 0.6145 1.1724 0.5267 1 palmitate, methyl ester 0.7554 2.695 0.5467 0.9946 0.4598 1.2641 1.063 0.4598 12.4467 0.5925 0.7826 0.5449 1.0054 1.1678 0.5874 0.4598 1.3801 0.7633 0.6366 0.9116 5.774 0.6437 1.2823 9.1606 11.8013 21.719 28.9119 0.7012 0.5296 1.5212 0.8236 0.4598 8.4094 0.8996 0.4598 0.4598 8.4873 0.8136 20.2502 1.1486 0.5749 1 0.7202 0.4598 18.5166 palmitoleate (16:1n7) 1.0301 0.5911 0.4734 0.6913 0.4631 2.7701 11.3536 1.6695 0.4432 5.4912 0.6477 4.7192 8.3023 2.4879 0.9699 0.7627 0.4952 2.1515 1.4842 1.7519 1.1613 3.4485 0.4739 0.4427 0.3022 1.2479 0.5574 0.5277 1.0948 1.136 0.4087 2.7277 0.2804 5.1741 0.8431 0.8839 1.5781 0.2994 3.9478 0.5089 1.6061 0.223 2.1277 0.5173 1 palmitoyl ethanolamide 0.8445 1.24 0.755 0.763 0.965 1.2355 1.0339 0.7811 1.1407 0.8882 1.1173 1.3259 1.9163 0.8732 1.0509 0.798 0.7881 1.1201 1.3273 0.9661 0.9082 1.0768 0.8717 0.7694 0.7847 1.384 1.2421 1.105 1.2144 0.8513 1.3756 1.4 1.136 0.807 0.7916 0.9452 1.5857 1.0761 1.2482 1.3593 0.8432 0.9796 1 0.6104 0.865 palmitoyl sphingomyelin 1.0278 0.9898 0.5263 0.7711 0.8138 1.4293 1.0102 0.6327 0.9606 0.7926 1.0249 1.0541 1.6096 1.1101 1.1188 0.8645 1.1926 1.1136 1.0784 1.466 0.9834 0.9538 1.035 0.7486 0.6913 0.941 0.9251 1.0609 1.1882 0.5829 2.0852 0.9665 0.9734 1.3109 0.8053 1.4629 0.9583 0.5925 1.7331 1.3573 0.666 1.0236 0.3505 1.2186 1 palmitoylcarnitine 0.9438 1.4993 0.7176 1.282 0.8414 0.8092 1.1413 0.736 1.3544 1.8277 0.6501 1.7679 1.2541 1.5001 1.2443 0.7484 1.0867 1.0465 0.8967 0.9235 0.8574 0.6943 1.1099 0.7686 1.0492 0.9287 3.3024 0.9535 0.6907 0.7152 0.6256 1.7911 1 1.0829 1.7771 0.8377 2.1793 1.3358 1.0813 0.8002 2.3523 0.8756 1.4698 0.7009 0.8118 p-aminobenzoate (PABA) 0.7234 1.1277 1.0601 0.8988 1.4271 1.0344 1.4214 1.2167 1 1.2273 0.4922 1.2362 0.7747 0.6855 5.00E-02 0.9702 0.9111 0.8784 1.0025 1.2698 0.8571 1.0854 0.812 1.2158 1.0149 2.00E-02 0.7035 0.669 2.00E-02 1.4615 0.3973 1.0709 3.00E-02 0.7724 0.0013 1 0.9999 1.2013 0.8314 0.7714 1.6813 1.0068 1.0214 1.3167 1.3535 pantothenate 0.9668 0.9824 1.1399 0.7888 1.0012 0.9713 1.1653 0.9061 1.0015 1.1283 0.684 0.9988 0.9264 1.0142 0.1285 1.0301 0.8888 1.0899 0.8433 0.838 1.1062 0.9761 1.0113 1.199 1.1154 0.0637 1.0503 1.1786 0.0702 1.1738 0.5618 1.0757 0.0822 0.9774 0.0719 0.8885 1 1.0861 0.7889 0.9573 1.1517 1.0929 1.168 1.1838 1.0788 paraxanthine 8.8759 0.9198 4.7904 0.9335 3.3717 4.2068 6.4273 0.4994 2.083 0.6258 9.7963 1.588 0.0304 1.3672 2.7497 0.1732 0.7935 0.9952 0.4067 0.64 0.5806 0.0304 0.4839 0.6653 0.14 2.4834 19.0324 1.0048 0.297 0.0304 0.0304 0.0446 5.5446 0.0304 3.8346 1.3164 2.4916 0.0631 5.5053 0.0874 0.0304 7.3195 0.6836 0.1404 2.572 p-cresol sulfate 1.5039 1.1721 0.5148 0.9845 0.5664 0.3382 0.3103 1.5606 1.7249 2.5481 2.4648 0.7983 1.3278 2.2705 2.9371 0.9832 1.0939 0.8093 0.5142 1.5451 2.2575 0.4903 0.9702 0.6416 0.9638 1.5636 0.7779 1.0155 0.5991 0.0034 1.9981 1 1.8884 1.1629 1.0601 0.7161 1.3838 0.5967 0.9973 3.1218 2.4866 0.615 0.6893 0.8078 2.1281 penicillin G 0.8446 0.9723 0.458 0.9095 1.1699 1.0277 1.1982 1.0356 0.3236 1.0562 0.2898 0.9633 0.2946 0.3465 0.2898 1.4933 0.3558 1.2127 1.1014 1.034 1.2436 1.0328 0.9482 1.0438 1.0398 0.2898 0.8276 0.4183 0.2898 1.1221 0.6168 1.008 0.2898 0.8125 0.2898 0.8434 0.9803 0.992 0.8683 0.9341 1.1308 1.0889 1.1471 1.1977 1.4337 pentadecanoate (15:0) 0.985 1.0185 0.924 0.8984 0.9595 0.8583 1.5398 1.043 0.928 1.872 0.8954 2.054 3.2567 1.2929 0.9606 0.8004 0.8263 1.1049 0.9324 1.5438 1.1334 1.3759 1.1 0.7933 0.7089 1.015 0.9267 1.0163 1.4279 1.0261 1 1.4346 0.8503 1.468 0.9141 1.0443 1.1033 0.797 1.2875 0.9702 1.0612 0.8234 0.8804 0.8009 0.9042 phenol red 1.0045 0.9599 1.0848 0.7745 1.0986 0.8777 0.998 1.0514 0.9371 1.0975 0.7409 1.0335 0.7416 0.8355 0.5471 1.1265 0.9233 1.0037 1.002 1.0447 1.0343 0.9911 0.979 1.0805 1.042 0.5471 0.9142 0.8163 0.5471 1.2834 0.5471 1.0382 0.5471 0.8275 0.5471 0.7783 1.0008 0.9992 0.6506 0.7822 1.1429 1.0819 0.9793 1.1693 1.1807 phenol sulfate 1.4109 0.6549 1.0049 0.9734 0.204 1.1053 0.5866 0.7805 0.9951 1.7264 2.8474 0.8967 1.2401 1.6096 1.5994 0.6561 1.066 0.8491 0.6894 1.0703 1.2233 0.4597 0.6791 1.1225 0.7036 0.7148 1.5702 1.2111 0.8407 0.1626 0.4943 0.9196 2.3059 3.0902 1.8317 2.4824 0.9548 1.144 0.7503 0.7364 0.7515 1.8525 1.2708 1.1997 1 phenylacetylglutamine 1.0165 0.9208 0.4296 0.8544 0.4591 0.5426 0.3603 0.921 1.2426 3.2905 2.7491 0.4879 1.7836 3.3847 4.5272 1.0554 1.2257 0.8718 0.4338 1.0647 2.0986 0.6203 1.1727 0.8488 1.7283 2.1064 0.9835 0.4155 0.3267 0.022 2.3452 1.1793 1.5942 0.8601 1.5486 1.1112 0.5944 0.5372 0.3524 2.5312 1.8776 1 0.2708 0.9439 2.1124 phenylacetylglycine 0.9371 0.939 2.7099 0.8182 1.0725 1.0002 1.0458 0.9179 2.5034 0.8902 1.8777 0.8763 1.7918 1.9159 0.0879 1.08 2.0242 1.0703 0.962 1.0433 0.9676 0.9638 0.7984 0.9998 0.8571 0.0879 0.7083 2.1108 0.0879 1.4797 0.4601 1.033 0.0879 0.8159 0.0879 0.967 1.0677 0.9413 0.8922 0.8537 1.3233 0.0879 1.1799 1.2037 1.2303 phenylalanine 1.0562 1.1514 0.9168 0.9684 1.1876 0.9435 1.0487 1.0268 1.1081 1.0059 0.9822 1.0915 1.1335 0.9774 0.7572 1.0234 1.1775 1.0089 0.9102 1.0369 0.8692 0.9768 0.9255 0.9941 1.0102 0.7065 0.993 0.9027 0.4908 1.1602 0.7781 1.1107 0.508 0.9244 0.5339 0.8554 0.9776 1.1794 1.1413 0.9567 1.2151 1 1.1695 1.0909 1.1008 phenylalanylarginine 0.1253 0.95 0.4972 0.5087 1.2314 0.1253 8.3451 0.1253 1.565 8.8385 0.1253 22.6156 14.6223 0.1253 0.1253 0.1253 0.1253 0.1253 0.1253 2.4518 1 0.1253 0.1253 0.4383 0.1451 0.282 0.1253 0.1253 1.4285 0.1253 0.1253 0.3345 2.3551 0.1253 4.709 1.6216 0.2165 0.5096 3.0281 3.8802 0.1646 0.4515 0.5715 4.7467 0.3326 phenylalanylleucine 1.3487 0.4948 2.1907 0.5699 0.7418 0.9466 0.4948 0.5652 0.559 1.2493 1.0534 1.5205 0.8271 1.8903 0.4948 0.7925 1.5771 0.4948 0.4948 0.4948 0.4948 0.4948 1.5603 0.4948 0.4948 0.6734 1.3829 0.4948 0.4948 0.4948 1.1464 0.4948 0.8536 1.6277 0.4948 0.672 0.4948 0.4948 2.2953 1.3625 0.4948 0.4948 0.8103 0.6493 0.4948 phenylalanylphenylalanine 1.0206 0.1954 1.2438 0.8619 0.9381 5.1456 0.1954 4.3608 0.5721 8.4821 0.4823 17.6803 1.1269 1.1867 0.7195 0.3004 1.0268 0.9794 1.0707 0.5741 0.7216 0.3943 0.5618 0.4493 0.5382 1.0228 1.0236 1.0309 0.8179 0.1954 3.2625 0.9433 1.0434 1.0413 0.1954 2.1999 0.4618 0.1954 2.3681 1.2148 0.7103 0.1954 0.9881 0.4586 1.0119 phenylalanyltryptophan 1.7253 0.712 0.5624 0.7271 0.8518 1.8754 0.8497 0.4953 1.3107 0.6844 1.0253 1.541 3.2535 1.7954 0.9203 0.8465 0.7071 0.7246 0.9747 2.1316 1.2415 1.3648 1.0271 1.1193 1.176 0.8845 1.1495 0.9294 0.7223 0.084 1.2422 0.9176 1.4197 1.2822 1.132 1.0128 0.687 0.6506 2.408 0.7375 0.7158 1.2586 1.0209 1 0.763 phenylcarnitine* 0.2153 0.2153 4.2407 0.5995 0.2153 0.2153 0.6804 0.3954 0.2153 0.2153 3.457 0.2153 1.3196 0.2153 2.0067 0.672 0.2153 0.2153 2.5056 0.2153 0.6416 0.2153 0.2153 0.2153 0.2153 0.2153 0.2153 0.2153 0.2153 0.2153 0.2153 0.2203 1 2.5789 0.6445 0.2153 0.2153 0.2153 0.2153 1.9391 3.0184 0.2153 0.2153 0.2153 0.2153 phenyllactate (PLA) 1.3922 1.2831 0.7087 1.0618 1.0171 2.4483 1.3027 0.7402 1.2335 0.4449 0.7945 0.5495 0.9907 2.2999 2.3961 0.7715 1.101 1.0093 0.6488 0.5765 0.6065 0.8467 1.0281 0.5952 0.8858 1.8449 0.9896 2.7839 1.2398 1.5177 1.0207 0.735 1.3315 0.8692 1.0859 0.931 1 0.8178 3.6748 1.0238 0.3719 0.9528 2.1597 0.6151 0.5028 phenylpyruvate 0.8956 0.7108 0.6729 1.0521 0.7055 0.7185 0.7381 0.6916 1.2631 0.7088 1.1739 1.0022 1.0005 1.2166 1.3788 1.081 1.3427 0.9716 0.8316 0.681 0.9789 0.6145 1.4736 1.0769 1.3212 1.5731 0.9995 1.5183 1.2901 0.2993 1.4423 0.7239 1.2607 0.7731 0.8587 1.2006 0.8576 1.0133 1.7109 1.936 0.729 0.9319 0.8357 1.4233 1 phosphate 0.9779 1.0003 1.1431 0.9345 1.2148 0.9997 1.2078 1.1384 0.9972 1.1162 0.7925 0.9974 0.7403 0.7726 1.304 1.3094 0.8966 1.1069 1.0288 1.0765 1.0251 0.9888 0.9834 1.0697 0.9312 1.2248 0.9001 0.8965 1.6603 1.3754 0.3403 1 1.0501 0.7059 1.8372 0.7786 0.8483 1.0012 0.6222 0.6551 1.3232 0.7829 0.9368 1.216 1.0751 pipecolate 1.7844 1.6466 0.4161 0.8595 0.5533 8.236 4.4153 0.0952 4.0244 1.9263 4.7358 0.0911 0.2457 2.4325 0.5955 0.7454 1.3731 1.1912 0.5209 0.9136 0.2928 0.3461 1.0864 0.1638 0.2491 7.5464 1.4719 2.8641 3.1727 0.0424 0.576 1.2342 1.3201 0.8856 0.6426 1.3251 2.1799 1.3801 4.8306 1 0.3219 0.5635 4.4029 0.1223 0.9514 piperine 0.2707 0.2707 0.2707 0.2707 1 0.2707 0.2707 0.2707 1.2444 0.2707 0.2707 0.2707 0.2707 0.2707 0.2707 0.2707 0.2707 0.2707 0.2707 0.2707 0.2707 0.2707 0.2707 0.2707 0.2707 0.2707 0.2707 0.2707 0.2707 0.2707 0.2707 0.2707 0.5716 0.2707 1.4284 0.2707 0.2707 0.2707 0.2707 0.2707 0.2707 0.2707 0.2707 0.2707 0.2707 pregn steroid monosulfate* 2.0062 1.0017 0.6094 2.2131 0.7524 1.5281 1.4873 0.6609 1.3448 0.8169 0.647 0.2666 0.1821 0.4569 1.4517 0.9117 0.9943 0.7946 0.9609 2.9154 3.6137 0.739 1.6152 2.4286 3.1826 4.2968 0.9983 2.0091 2.1356 0.379 1.1315 0.8486 2.0363 0.4383 1.234 0.8071 1.6459 1.5955 1 0.6578 1.5897 0.9808 0.5479 1.5719 0.6775 pregnanediol-3-glucuronide 1.9329 0.9681 0.1552 1.1714 0.213 0.1552 0.3762 0.1552 0.1552 1.0093 0.9907 0.3131 0.5198 0.8764 2.6761 0.7832 2.2289 6.7335 0.2944 1.4335 2.9812 0.5942 11.6655 1.0849 27.8547 1.4542 0.1552 0.2512 14.6525 0.1552 1.8477 1 3.4694 0.476 0.6393 0.1552 1.0355 1.0531 0.8959 0.3305 5.6879 0.4615 0.4226 1.9076 0.7672 pregnen-diol disulfate* 1.9034 1.4181 0.6532 0.9651 1.2327 2.8936 2.9198 0.3212 0.6886 0.4975 0.5 0.2276 0.2368 0.2371 0.5978 0.451 1.1772 0.9713 0.7612 1.8104 1.7147 0.7507 1.0287 2.0133 3.972 6.4563 1.0847 4.2393 1.7277 0.192 0.9302 0.2986 0.8793 0.779 1 1.2821 1.1839 1.9563 1.1269 0.5019 1.7582 0.4538 0.7256 1.1764 1.5883 pregnenolone sulfate 2.5049 0.5051 0.7652 2.4558 0.5996 0.9694 1.6857 0.0981 0.5918 0.4064 0.7441 0.0981 0.0981 0.0981 0.7909 1.4669 1.3997 0.8699 0.6025 4.0975 3.1049 0.2166 2.378 2.1023 5.7456 3.8116 1 1.2311 1.7209 0.3377 1.5276 0.6504 4.3919 0.3672 1.6003 0.555 1.4996 1.155 0.5037 0.2805 1.6368 0.1926 1.415 1 0.5005 pro-hydroxy-pro 0.4421 2.7788 4.8048 3.3235 4.3066 1.1137 0.4421 0.545 0.6314 0.6524 0.5722 0.7213 1 1.001 1.0795 4.4218 2.3334 0.792 0.7801 0.7081 0.7487 0.9982 1.3705 0.8551 0.9704 2.9008 1.516 2.9033 0.8956 1.6468 3.9654 0.4421 0.9453 1.0807 1.2777 0.9176 0.9669 1.2546 2.3227 1.3838 0.9267 0.5376 1.0014 0.9986 0.4649 proline 1.3829 1.1213 1.003 0.8066 1.0972 1.1312 1.0126 0.9087 1.0969 0.9219 1.0006 0.9295 0.9956 0.9523 0.536 1.0474 1.2163 0.9093 0.9258 1.0649 0.9457 0.9511 0.9994 1.0858 0.9482 0.8402 1.0657 1.0918 0.413 0.9883 0.9528 1.0713 0.6452 1.0153 0.628 0.9532 1.0533 1.4479 1.0996 0.8687 1.081 0.9107 1.0433 1.051 1 propionylcarnitine 0.3168 2.0559 1.1261 0.6015 0.8314 0.5066 0.4237 0.6499 1.8609 0.9008 1.633 1.1332 2.1426 1.5307 1.7452 0.9644 1.2325 0.6068 0.3642 1.5525 1.6308 0.7229 1.2456 0.5576 1.0356 0.898 1.3662 0.9104 0.8606 0.2211 1.1943 1.7784 1.6452 0.9358 1.9201 0.535 0.9061 1.0725 1.1564 1.2753 1.1378 0.6306 0.5019 1 0.7919 pseudouridine 0.8781 0.9037 0.8614 1.2945 0.5768 0.9556 0.3043 0.9514 1.3805 1.1134 1.3975 1.1159 1.7475 1.6896 2.8774 0.5703 0.9853 1.0147 1.077 0.8933 0.4094 0.806 1.025 0.6546 0.9487 2.0601 1.6023 1.1605 0.789 0.5198 1.0713 0.9456 1.8432 1.0306 1.7426 1.1309 0.9844 1 1.2652 1.2042 0.7978 0.6692 1.1236 0.5073 0.9686 pyridoxate 0.6253 1.1877 1.1724 0.9459 0.3883 0.6628 0.3499 0.6265 73.3696 1.3149 34.1971 0.6986 6.2057 1.535 74.5746 0.697 0.656 0.9311 4.4359 1.4228 1.0541 1.3641 0.8788 0.8326 1.4431 0.6176 0.681 1.3222 0.9377 0.454 2.2976 0.9767 1.3911 1.435 1.5271 0.5927 0.5759 0.4879 0.8441 1.9612 1.3806 2.2695 0.669 1.266 1 pyridoxine (Vitamin B6) 0.8965 1 1.4426 0.9087 1.1601 0.9137 1.1483 1.09 0.9218 1.1566 0.5489 1.0201 0.6709 0.7795 0.0157 1.1096 0.8556 1.2955 0.9631 0.8962 1.1386 1.0918 1.1935 1.1279 0.9626 0.0157 1.0359 0.8908 0.0157 1.6701 0.5375 0.9549 0.0157 0.7986 0.0157 0.9196 1.0971 1.3045 0.8506 0.8283 1.4267 0.9833 1.1985 1.0167 1.2569 pyroglutamine* 2.3084 1.2737 0.839 1.467 0.6489 1.3292 1.3766 1.1056 1.2798 0.988 1.0969 0.5376 0.6738 1.519 1.3449 0.459 0.4066 0.9767 0.6394 0.5787 1.012 0.3302 0.4724 0.3642 0.344 1.3444 2.9905 1.5415 0.3288 0.1143 0.5827 1.0624 0.8228 1.5483 1.2032 2.213 1.0384 1.1225 1.4884 0.7061 1.0494 1 0.7647 0.2734 0.9394 pyroglutamylglutamine 2.3197 0.5793 0.507 1.1701 1.8864 2.1981 0.4644 0.3417 0.9294 0.5545 0.6953 0.9151 1.6526 1.4229 0.9695 0.9057 1.1499 0.7861 1.3258 0.8455 1.2845 1.048 1.6655 1.0134 1.0153 1.3502 0.9866 0.664 1.1754 0.4322 1.7792 1 0.7148 1.0687 1.3262 1.2266 0.6653 0.9462 2.7709 1.8043 0.5138 0.664 1.1528 0.5505 0.7658 pyruvate 1.0323 0.8455 0.5804 1.4199 0.9327 1.0547 0.9677 0.4977 0.8915 0.7072 0.6192 0.8267 0.8452 1.5889 1.4129 0.5563 1.5139 0.579 1.2083 1.3781 0.9643 0.4258 1.3061 1.0378 1.216 1.33 1.1457 1.8646 1.5254 0.7335 1.4078 0.7748 1.0028 1.0878 0.5569 1.3683 1.3121 0.7892 0.8544 1.4725 0.6176 1.4988 0.5445 0.9749 1 quinate 0.374 0.374 0.374 0.3816 0.374 0.374 0.6954 0.374 0.5613 0.374 1 0.374 0.374 0.374 0.3788 0.7112 0.374 0.374 2.4008 0.374 0.374 0.374 0.374 0.374 1.7277 1.1363 1.2171 4.1965 0.374 0.374 0.374 0.374 1.4508 0.9591 0.374 0.374 0.374 0.374 0.374 0.374 2.2164 0.374 0.374 1 0.374 quinine 0.0152 0.0152 0.0152 0.0152 0.0152 0.0152 0.0152 0.0152 0.0152 0.0152 0.0152 0.0152 0.0152 0.0152 1.9848 0.0152 0.0152 0.0152 0.0152 0.0152 0.0152 0.0152 0.0152 0.0152 0.0152 0.0152 0.0152 0.0152 0.0152 1.4324 0.0152 0.0152 0.0152 0.0152 0.0152 0.0152 0.0152 0.0152 0.0474 0.5676 0.0152 0.0152 0.0152 1.5746 0.0152 riboflavin (Vitamin B2) 1.026 0.8953 0.8272 0.7736 1.25 1.0165 1.0423 1.1936 1.0872 1.1092 0.767 1.1152 0.865 0.8756 0.0089 1.0802 0.9482 1.0218 1 1.1324 1.1198 0.9711 0.9797 0.8143 1.0248 0.0155 0.9661 0.8242 0.0089 1.4065 0.5561 0.8173 0.0089 0.3625 0.0089 0.5831 1.2165 1.2481 0.9217 0.4898 1.6426 1 1.0328 1.234 1.0745 ribose 0.8567 0.9083 0.6781 1.1115 1.2931 1.0479 0.8725 1.0138 1.037 1.0113 0.8295 0.9534 0.7147 0.8502 0.4926 1.77 1.2682 0.9675 1.6219 0.9338 1.2912 1.0898 1.0086 1.0938 0.9914 0.9629 1.4141 0.4393 0.3273 2.3966 1.9656 1.0189 0.9437 1.5365 0.5088 0.9811 0.9808 1.3948 1.7759 0.3273 1.8278 0.4336 0.9006 0.8219 1.5576 ribulose 1.0139 1.7972 0.7529 1.1421 1.036 0.9588 1.3518 0.7868 0.9595 2.1142 0.781 0.9542 0.8374 0.8649 0.2193 1.503 0.7318 0.9861 1.0301 1.9743 1.1968 0.9652 0.4923 1.5884 2.2476 0.2193 2.312 0.946 0.2193 0.7679 0.2193 1 0.2193 1.71 0.2193 0.9242 0.2193 0.7059 1.5879 0.2193 0.2193 0.5642 1.4678 1.3035 4.1813 saccharin 1.2854 0.0442 2.3582 0.0442 2.2215 0.0442 0.0442 0.0442 0.0442 3.0335 1.0777 0.0442 1.0156 0.1148 0.6574 0.0442 0.0442 0.1686 0.0442 0.0442 0.31 0.374 1.0719 0.0442 0.9844 0.0442 0.0442 0.0442 1.0881 0.0442 0.0442 0.0442 1 0.0442 0.1124 0.4303 0.0442 7.8553 0.0442 0.2316 0.0442 3.7246 0.0442 0.0442 0.0442 S-adenosylhomocysteine (SAH) 0.6804 1.2346 0.2128 1.0832 0.8155 0.2128 0.2128 0.2128 0.9168 1.0968 0.385 1.6964 1.9485 0.7843 1.2275 0.2128 1.4217 0.2128 0.2128 0.2128 0.2128 0.2128 1.1368 0.5576 0.8903 1.8637 0.7058 0.2128 0.7928 0.2128 0.2128 1.5306 1.3966 1.2294 1.5055 0.9027 0.523 1.4627 1.0973 1.788 0.8263 0.2128 0.7251 0.2711 0.3603 salicylate 3.9157 1.1479 1.4218 0.1771 0.2609 3.6048 0.1845 0.8525 2.7012 1.2083 0.9058 0.5581 3.0386 9.6097 1.171 1.3606 0.0913 2.5789 0.6566 1.9094 0.6455 0.832 0.4376 0.1627 1.0942 0.5825 0.5462 3.2442 2.1651 0.5493 0.1602 0.5248 9.1055 1.6028 0.9621 0.6845 0.426 5.4383 1.0224 1.4441 4.4073 0.9776 0.1853 0.0913 1.6186 salicyluric glucuronide* 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 2.3907 0.4231 0.1934 1.2034 0.1934 0.1934 0.1934 0.1934 1 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 1.0037 0.5293 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 1 0.1934 0.1934 0.1934 0.1934 serine 1.1161 1.0014 1.1303 0.8968 1.1305 0.9114 1.077 1.0857 1.0207 1.0088 0.8365 0.9653 0.8342 0.9986 0.1692 0.9683 1.0702 1.0526 0.9826 0.9838 1.1316 1.093 1.019 1.0688 0.9704 0.2898 0.982 0.9863 0.1573 1.2223 0.795 1.0773 0.2343 0.9395 0.1662 1 0.9862 1.1056 0.925 0.9407 1.1413 1.0189 1.0876 1.1387 1.0875 S-methylcysteine 1.9735 1.0242 0.3604 0.7402 0.5541 1.8034 1.6405 0.3328 4.4535 1.9598 3.6466 0.1745 0.399 1.9757 1.2056 0.8086 0.9959 1.9392 0.7289 1.0011 0.3594 0.2065 0.9989 0.366 0.1694 4.4926 1.9154 1.233 2.7714 0.0919 0.5172 1.0134 1.0615 0.9747 0.8064 0.7651 1.5567 1.4507 2.7051 1.61 0.6851 1 2.9612 0.1609 0.4774 sorbitol 0.9625 0.6414 0.6575 1.0299 0.79 21.7691 49.159 1.7349 1.5158 1 0.7173 1.4977 1.1164 1 0.8158 0.4721 1.4865 0.815 1.3266 0.8433 0.5914 1.5383 0.9718 0.862 0.9901 1.0427 1.2046 2.1811 0.4721 0.4721 1 0.4721 0.4803 0.4721 0.7055 6.2212 0.4721 0.4721 1.2578 0.4721 0.4721 1.173 0.4721 0.7053 0.4721 sphinganine 0.5064 1.3767 0.6837 1.8696 0.6064 0.5 0.2322 0.3789 0.9712 2.2228 0.2322 1.5946 0.8789 1.3529 1.0288 1.2829 1.9701 1.2391 1.2906 0.5849 0.5521 0.2322 1.4036 0.7518 0.8601 1.0355 1.5729 0.7755 1.6506 2.7303 0.6575 0.9098 1.7472 1.0875 0.2322 1.3466 1.5938 0.9125 0.7062 0.4925 1.3326 0.4071 0.8329 0.6186 2.2005 sphingosine 1.3563 2.3873 0.5672 1.4565 1.279 0.5933 0.1229 0.2192 1.4397 1.8186 0.4927 1.0199 0.7408 0.9801 0.9584 1.3803 2.1655 1.0875 1.8345 0.7377 0.7259 0.7094 1.4595 0.8376 0.555 1.337 2.0789 0.92 1.2833 1.1879 0.909 2.0512 0.9163 0.5968 1.7207 0.5406 1.2077 0.7233 0.3344 1.0235 2.0846 0.7557 1 0.6516 1.5261 sphingosine 1-phosphate 1.0023 1.4153 0.9151 1.1629 0.919 0.8612 0.5013 0.4967 1.0775 1.6165 0.7944 1.0969 0.5537 1.0637 0.8493 0.9564 1.2404 1.1648 0.6713 0.6688 0.658 0.6169 1.0692 1.0006 1.0773 1.165 2.2159 0.9994 0.9623 0.1987 0.4943 2.7086 1.5407 2.0228 1.2759 0.9375 1.4924 0.8606 0.7459 1 1.4017 1.3988 2.5921 0.6535 0.9574 stachydrine 1.0524 2.3599 4.3637 0.2676 0.3983 0.8006 0.8351 1.2985 2.9673 0.6616 0.3388 0.6555 4.7408 3.4259 9.8785 0.245 0.6164 0.3111 2.0773 0.1609 4.9765 0.6824 1.6238 3.2666 0.384 0.9476 6.9858 2.4639 0.5681 0.1609 0.955 1.2191 9.1868 0.444 3.7751 0.9158 0.277 3.3531 3.3081 2.447 1.021 0.5987 0.5895 0.979 1.4578 stearate (18:0) 1.1306 1.1116 0.6418 0.8877 1.0102 1.11 4.0199 0.8461 1.1601 1.4168 0.8776 1.9609 2.7941 0.8629 0.7753 0.7592 0.9082 0.9647 0.8627 1.3179 1.0177 1.2548 1.0648 0.7777 0.8201 1.0452 0.7588 0.9898 1.4601 1.1181 0.9703 1.2521 0.7986 1.1575 0.861 0.7926 1.2944 0.9461 1.168 0.8481 1.0133 0.6976 1.1063 0.7139 1 stearidonate (18:4n3) 0.2169 0.1261 0.1893 0.1519 0.579 2.6206 1.5067 1.1875 0.7643 3.1169 1.151 2.0339 2.0817 0.4196 0.3882 1.5863 0.3785 1.2845 1.177 2.8941 1.7215 1.4282 0.3655 0.2834 0.878 0.4779 1.122 0.5536 1.8152 0.3171 0.383 3.9247 0.3284 3.6584 0.9328 1.0274 1.1396 0.4228 3.8558 0.8886 0.6517 0.332 3.5298 2.6548 1 stearoyl sphingomyelin 1.123 0.8177 1.5307 0.9832 1.008 1.6545 0.48 0.8421 0.281 1.2632 1.3714 1.2565 1.4682 0.9389 1.1599 0.9013 1.2473 1.1471 0.9789 1.427 0.992 0.7883 0.3477 1.0949 1.5692 0.3268 0.8259 0.4469 0.7257 2.0483 2.0368 0.7793 0.8862 0.9412 0.2689 1.3906 0.9671 0.2689 1.181 2.4796 0.549 1 0.2689 2.9625 1.7153 stearoylcarnitine 0.9117 0.7782 0.5671 1.2194 0.6722 0.9297 1.9511 0.9254 2.1511 1.6955 0.8593 2.0105 1.2335 1.634 1.254 1.0566 0.9875 0.7171 0.9078 1.0125 0.8983 1.0731 0.8193 1.6435 0.9244 0.6814 2.2733 1.0899 0.6627 0.7353 0.4382 2.1725 0.9401 1.0868 1.1712 1.112 2.0373 0.9164 1 0.6382 2.1808 0.9766 1.1053 1.0518 0.6606 streptomycin 0.816 0.907 1.2717 0.8594 1.4829 1.1737 1.5103 1.5814 0.9876 1.3303 0.6395 0.8703 0.3777 0.5179 0.2901 1.3746 0.5537 1.3884 1.1672 1.0506 0.9639 1.0124 0.9042 1.4373 1.1273 0.2901 0.879 0.912 0.2901 2.5829 0.2901 1.0692 0.2901 0.569 0.2901 0.6563 0.9308 1.2216 0.6735 0.5722 1.625 0.8199 1.3622 1.5509 1.7097 succinate 1.1514 1.064 0.8818 0.9144 0.815 1.197 0.9702 0.7914 1.127 0.9137 1.0541 0.817 0.9204 1.0992 1.1031 1.0206 0.9058 0.8643 0.9807 1.0193 1.1909 0.7843 1.0297 0.8803 0.9087 1.2546 1.0299 1.1492 1.0481 0.731 1.2654 1.1885 1.1255 0.8269 0.8714 1.0357 0.8932 1.2056 1.227 1.2513 0.8811 0.5417 0.8816 0.8933 1 succinylcarnitine 0.5122 2.5921 0.9883 0.0673 0.9987 0.0673 0.5983 0.2834 1.8487 0.5168 1.1072 2.1618 6.2334 1.6243 3.0916 0.0673 0.0673 0.7656 0.0673 0.2681 2.9207 0.0673 1 0.5487 2.4598 2.0572 4.5268 0.6635 0.5231 0.0673 0.1062 0.0673 3.1689 1.4101 1.6142 1.2357 0.8908 0.976 0.9263 1.024 1.1735 1.8112 0.0673 0.1344 0.5075 sucrose 1.4675 0.9257 0.4824 0.3521 1.3903 2.4083 1.5536 1.9386 1.9783 0.4618 4.0795 0.1928 0.7837 0.2005 1 0.9223 0.865 0.7874 1.5016 1.4787 0.1903 1.0357 1.1826 0.9733 1.0881 2.18 0.656 0.1903 0.4929 0.5763 3.0536 1 3.2864 1.0344 0.785 3.6161 0.4307 1.6933 0.3024 0.4187 0.3167 3.8292 0.371 1.1456 1.1425 sulfate* 0.9512 0.9701 1.0724 0.9454 1.0603 0.9382 1.0078 0.9671 1.0303 1.1 0.9194 1.0639 1.1859 0.9828 0.323 1.0075 0.9508 1.0566 0.9626 1.0398 1.1429 0.932 1.125 1.0792 1.0565 0.2642 0.9925 0.8992 0.2054 1.1097 0.8402 1.0004 0.3442 0.9827 0.2235 1 0.9586 1.129 0.9779 0.9644 1.2483 1.0282 1.1339 1.1399 1.1805 tartarate 0.6795 5.8166 0.1977 0.1977 0.1977 1 0.1977 0.6311 0.1977 4.3518 0.8822 1.1891 0.8645 0.1977 0.907 0.6878 0.1977 0.1977 0.4091 2.624 0.1977 0.1977 0.1977 0.1977 7.9321 0.1977 1.5631 1.0765 0.1977 0.1977 2.8135 0.473 0.1977 1.0231 0.1977 0.1977 0.1977 0.1977 0.9769 0.1977 0.1977 0.1977 0.4413 1.3217 3.319 tartronate (hydroxymalonate) 0.9232 1.3884 0.0937 1.131 0.4469 1.1625 0.8478 1.0299 1 1.7722 1.2928 0.9025 1.2155 1.057 0.212 0.8319 0.7768 0.9128 1.2483 0.9427 0.8107 0.8446 1.4149 0.8352 2.7056 0.0937 1.9206 1.0009 0.418 0.4464 1.7455 1.1675 0.5061 2.355 0.3545 1.0759 0.3727 0.8303 1.6762 1.6039 0.0937 1.5979 0.9241 0.6057 1.1574 taurine 1.3453 0.4569 0.774 1.3649 0.6756 0.6586 0.4638 0.4651 0.7264 0.7762 1.3546 1.0015 1.5187 1.2159 1.2764 0.9985 2.2291 0.8068 1.4939 1.3097 1.2846 0.7626 1.1832 0.7186 0.8872 1.2568 1.6278 0.888 1.474 0.7377 2.9169 1.1017 1.9909 1.3706 0.9312 0.3954 1 0.7407 1.6614 1.0297 0.7398 1.2425 0.6955 0.3046 0.7107 tauro-beta-muricholate 0.1613 3.0403 0.1613 0.1613 0.1613 0.1613 0.1613 0.1613 0.1613 0.1613 0.1613 0.1613 1.7368 0.1613 0.1613 0.7505 1 0.1613 0.1613 0.1613 0.1613 0.1613 0.4847 0.1613 2.4468 0.1613 0.1613 0.1613 0.1613 0.1613 1 0.1613 0.1613 0.1613 0.1613 0.1613 0.1613 0.1613 0.1613 0.1613 0.1613 0.1613 0.1613 0.1613 0.1613 taurochenodeoxycholate 1.4825 4.6378 0.0406 0.4987 0.5753 0.8232 0.9058 0.0406 0.7442 0.0406 0.1827 1.581 6.4611 0.1734 0.7516 0.0406 10.0616 0.4123 2.1804 0.0406 0.0406 0.2282 2.8446 0.6383 2.2831 1.7212 1.0942 2.6051 1.1611 46.9037 5.2095 0.3274 6.1127 1.3965 3.5496 0.7421 0.0406 1.3886 0.2486 0.2267 0.1259 0.275 0.7449 3.8976 1 taurocholate 0.2052 6.6847 0.2052 0.2052 0.2052 0.6343 0.3285 0.2052 0.2915 0.2052 0.2052 0.9145 3.959 0.2052 0.2052 0.2052 5.6069 0.2052 1.1522 0.2052 0.2052 0.2052 0.4937 0.8338 4.1765 1.0855 0.8004 1.7163 0.7249 113.8554 3.3998 0.2052 2.4765 1.1383 10.4276 1 0.2052 0.2646 0.4793 0.2052 0.2052 0.2052 0.4016 3.9411 0.4479 taurocholenate sulfate 0.5481 0.4851 0.4426 2.805 0.5149 0.8534 1.51 0.8712 1.038 0.6313 1.1189 2.067 2.453 1.9413 1.9695 0.4163 1.031 0.8508 1.3243 0.4064 0.7854 2.6504 2.7293 1.1711 2.7231 0.5708 0.969 0.7306 1 3.8837 2.0756 2.5583 3.1437 1.578 0.3754 2.541 0.5464 0.4182 1.7155 1.1733 0.4171 0.5481 0.3912 0.9927 0.651 taurodeoxycholate 0.0992 3.9067 0.0992 1.1726 0.0992 0.1977 0.4279 0.0992 0.0992 0.0992 0.6195 1.4528 11.0443 0.0992 0.8122 0.0992 1.9736 0.0992 0.0992 0.2356 0.0992 0.0992 0.8981 2.3287 9.9912 0.5098 0.0992 1.1019 0.2809 0.0992 9.8526 0.0992 2.6938 1.402 9.4275 0.0992 0.0992 0.4723 0.0992 0.4214 0.0992 0.0992 0.3945 1.9168 0.598 taurolithocholate 3-sulfate 0.7239 2.7518 0.6306 1.1996 0.385 0.7405 2.7318 0.2438 0.3162 1.038 1.1517 6.5786 6.9379 0.5633 4.0349 0.9199 1.0597 0.248 0.5816 0.3453 0.962 1.5864 2.9292 1.2566 4.6882 0.4533 0.7829 1.0802 0.3719 0.0062 4.7639 1.989 3.7193 2.6681 1.1221 0.0186 0.0062 0.4354 0.8779 1.9457 0.8438 0.2606 0.0526 2.0177 1.3019 tetradecanedioate 0.8461 1.3876 2.0426 0.8601 1.0697 0.7298 2.029 0.7438 0.7826 1.4843 0.897 0.8858 1.0155 1.1099 0.8496 0.6635 1.222 0.9845 0.7884 0.7824 0.7674 1.1524 1.5868 1.3498 1.041 0.8452 1.178 1.2697 0.8898 1.5267 0.8802 0.8486 1.3283 2.1238 1.0277 0.6831 1 0.8889 0.7358 1.0375 0.9693 0.8197 1.162 1.7542 1.8491 theanine 0.2591 0.0471 0.837 0.0471 1.163 1.9103 0.1388 0.0471 0.0471 0.0471 4.528 0.0471 0.0471 0.0471 0.0471 0.0471 0.0471 0.0471 0.0471 0.0471 0.0471 0.0471 0.0471 0.0471 0.0471 0.0471 1.7147 0.6829 0.0471 0.0471 0.0471 0.0471 2.9614 0.0471 0.0471 0.0471 0.0471 0.0471 0.0471 0.0471 0.0471 1.373 0.0471 0.0471 0.627 theobromine 3.1425 0.223 2.0768 0.6987 1.3766 2.4459 3.9137 0.638 0.8364 0.7115 3.1844 1.2979 0.223 0.6784 1.8499 1.1324 0.223 0.5751 0.7108 0.223 0.5076 0.223 0.223 0.223 0.223 0.6674 9.6524 0.8676 0.2658 0.223 0.223 0.223 2.1952 0.223 1.5886 0.4009 0.8575 0.223 1.4216 0.223 0.223 2.587 0.2643 0.223 1.1425 theophylline 2.2675 0.1244 1.4239 0.1244 0.9081 1.2563 3.5905 0.1244 0.7303 0.5263 1.7414 0.9966 0.1244 0.5011 1.0034 0.1244 0.1244 0.1244 0.1244 0.1244 0.1244 0.1244 0.1244 0.1244 0.1244 0.4458 6.1143 0.1585 0.1872 0.1244 0.1244 0.1244 1.4972 0.1244 2.4842 0.1852 1 0.1244 1.7219 0.1244 0.1244 3.277 0.1244 0.1244 0.6896 thiamin (Vitamin B1) 0.2313 0.2313 17.4254 0.2313 0.2313 0.2313 0.8117 0.2313 1.1883 0.2313 0.2313 4.0786 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 0.2313 16.1136 0.2313 0.2313 0.2313 0.484 0.2313 0.5742 0.2313 0.2313 0.2313 0.2313 0.477 0.2313 0.2313 0.2313 1.0874 0.2313 0.9126 0.2313 0.2313 5.1168 2.0125 0.2313 0.6522 0.2313 threitol 1.1927 1.039 0.5966 0.6978 0.9287 1.3015 0.5958 0.6126 1.0332 0.9668 1.5868 1.1235 1.5864 1.2665 1.0876 1.3871 0.6978 0.7177 1.3962 1.4279 0.9517 0.8965 0.8031 0.8553 1.1836 0.8276 0.9596 1.6211 0.8798 0.7509 1.9125 1.0595 0.9188 1.2385 1.2563 1.116 0.5647 0.912 0.4898 1.3047 1.5554 0.4898 0.4898 1 0.7035 threonate 0.7972 1.1695 1.4355 1.2138 0.4025 0.9395 0.556 0.6625 1.3203 1.233 1.581 0.4511 0.7341 1.0027 0.6841 0.9973 1.2785 0.8235 0.7449 3.7805 2.0531 1.0426 0.8736 0.8806 1.3789 0.6429 1.2257 1.4908 1.9646 1 1.516 1.6855 2.2397 1.28 0.4488 0.6117 0.6063 0.9878 0.843 1.7686 0.8229 1.6734 0.8449 0.4522 1.4381 threonine 1.0565 0.8794 1.0048 0.8007 1.0101 1.0348 1.031 0.9206 1.0274 0.9302 0.7903 0.9883 1.0144 0.9739 0.267 1.4672 1.1612 1.0081 1.023 0.9347 1.3965 1.0759 0.8789 0.9952 0.8633 0.3662 1.0258 0.971 0.2509 1.085 0.8078 1.0452 0.4846 1 0.3537 0.7848 0.9727 1.1416 1.0057 0.8615 1.2143 0.9616 1.1799 1.0749 1.0971 thymol sulfate 3.5108 1.0467 0.0442 0.0282 0.0282 1.8646 0.1241 11.4514 0.6887 0.0642 6.0579 0.0282 1.4699 1.3108 0.0831 2.2866 0.0282 0.0282 0.1015 1.2815 0.0885 0.0282 0.0282 2.3177 1 0.0282 0.1241 0.307 0.0282 0.0282 0.7283 0.5441 92.3007 1.4029 0.0282 1.2717 0.1731 0.0282 0.725 0.1349 0.1267 1.4614 2.8441 6.3157 0.0282 thyroxine 1.4413 3.4871 0.8443 1.561 1.0461 0.175 0.8837 0.6228 2.096 2.0133 0.3156 3.0083 1.0196 0.4663 0.6006 1 2.3421 0.175 0.2608 1.5372 0.8655 0.5995 0.6959 0.8516 1.5791 2.0367 1.745 0.5196 1.32 0.212 0.5437 1.5646 2.108 1.3793 1.6659 0.4339 1.1278 1.0612 0.814 0.2013 0.9388 1.3477 0.4531 0.175 0.4396 tiglyl carnitine 0.1721 0.8241 1.3495 1.1366 0.1721 2.1348 2.7589 1.0449 1.313 0.7838 1.0823 0.9551 3.8251 3.3395 3.8012 0.1721 0.2168 0.4859 0.7126 0.1721 0.9335 0.5149 1.1805 0.1721 0.3542 0.3881 3.1755 0.2486 0.1721 0.1721 1.2493 0.535 3.5291 0.5072 0.24 2.569 0.1721 0.7311 1.7305 2.2612 0.1721 0.6445 1 1.89 0.6866 trans-4-hydroxyproline 0.9712 0.9944 1.4334 0.8756 1.1632 1.0992 1.1537 0.9595 1.0818 1.0317 0.7987 0.8929 0.7099 0.8092 0.0557 1.0913 1.0056 1.057 0.959 1.0307 1.0515 1.0274 0.8903 1.1842 1.0074 0.1181 0.893 0.9392 0.0625 1.5681 0.7305 1.0603 0.0724 0.9053 0.2832 0.9374 1.0781 1.1076 0.8779 0.8341 1.3096 1 1.0745 1.2301 1.2339 trigonelline (N'-methylnicotinate) 1.7627 1.541 0.9923 0.2699 0.208 0.6273 0.2882 0.1562 5.3185 1.2398 2.4159 0.4595 1.3484 3.5428 1.2095 0.251 0.2317 2.4409 0.5699 1.2156 0.9885 0.7446 0.8742 0.5753 1.0571 2.4371 3.3183 1.0077 4.4223 0.1562 1.8744 0.6537 0.841 1.3621 1.159 0.6967 0.5277 0.4001 2.6068 1.2558 0.2102 2.0541 3.1261 0.2876 0.2493 tryptophan 1.2067 0.833 0.855 1.1048 1.1148 1.1445 1.0032 1.0221 1.1727 0.7179 1.1992 1.2397 1.699 1.3072 0.798 1.0142 1.18 0.88 0.9564 0.8049 0.9177 0.9968 0.9934 0.8637 0.9185 0.5737 1.0655 0.9021 0.7854 0.7614 1.0807 1.113 0.9714 1.0611 0.7867 0.5382 1 1.0718 1.6234 1.1464 0.8969 1.0175 1.1308 0.934 0.7531 tryptophan betaine 5.7231 0.5181 1.4679 2.2002 0.9975 0.9182 0.3863 1.8249 2.9644 0.1299 0.0895 0.4678 0.7209 0.6441 1.0972 1.0519 0.4026 1.4476 1.7571 2.0914 2.0746 1.0025 1.6711 0.8832 1.6513 0.7461 0.4319 0.7135 2.5208 0.1311 2.4373 0.7794 1.148 1.8232 1.3388 0.3685 0.5291 0.3719 2.6373 0.296 1 2.5706 3.682 0.0525 0.7511 tyrosine 1.0494 1.054 0.9023 0.9093 1.1627 1.0804 1.1366 1.0435 1.0124 0.9826 0.8506 1.119 1.1921 0.9111 0.5329 1.0594 1.1186 0.9268 0.9928 1.0415 0.8769 1.0312 0.8084 1.0072 0.9656 0.4907 0.909 0.8608 0.5535 1.2044 0.9349 1.0536 0.5022 0.8977 0.468 0.8944 0.9418 1.1448 1.2108 0.8702 1.1516 1 1.1089 1.1115 1.1716 undecanedioate 0.937 1.2241 0.9508 0.7678 1.031 1.0872 1.6225 0.9124 1.0002 1.2106 0.9497 1.1805 1.3696 0.9998 0.933 0.9568 1.006 0.7852 0.9469 1.1047 0.9989 0.9158 1.196 1.3814 0.9189 0.8434 1.3118 2.4576 1.0446 0.7513 0.8214 1 0.9377 1.0505 1.3724 1.1204 1.0472 1.101 0.7127 1.0741 0.94 0.9334 0.8694 0.9562 1.1302 uracil 3.3101 1.9691 0.1932 1.2514 1 0.4271 0.1932 0.1932 0.1932 0.1932 0.1932 0.5298 2.4431 0.1932 4.1844 0.5951 1.3436 0.1932 0.9343 3.1587 0.1932 0.4675 0.1932 0.8297 0.9456 2.9702 0.6159 0.1932 0.9723 0.2643 1.4611 1.5122 3.2655 0.6962 1 0.5364 0.1932 0.1932 2.778 1.4613 0.1932 0.1932 0.8282 0.1932 1.7447 urate 1.0993 1.053 0.7714 1.1574 0.6319 1.3265 1.0035 0.8082 1.2402 0.8182 1.1934 0.9965 1.5424 1.1739 1.433 0.5652 0.9239 0.7847 1.0043 0.6422 0.5628 0.7083 0.8885 0.6567 0.7356 1.2682 1.336 1.0315 0.808 0.3111 1.2349 0.7532 1.5398 1.1231 1.4903 1.697 0.9807 1 1.8551 1.2154 0.6571 1.0856 0.8016 0.8606 0.9625 urea 0.8274 0.7559 0.7237 1.301 0.878 0.9121 0.7604 1.3207 1.0514 0.9011 1.3704 1.1772 1.9494 1.404 1.8492 0.5998 0.7684 0.8773 0.9368 1.0734 1.138 0.7627 0.9637 0.8663 1.3995 1.1839 1.1989 1.0363 1.0773 0.2585 1.2346 1.0189 1.3001 1.3563 1.6792 1.0979 0.6588 0.979 0.861 1.2578 0.8043 0.7671 0.9775 1 0.6563 uridine 1.002 1.0941 0.5489 0.8637 0.8058 0.7923 0.8603 0.9434 1.3924 0.998 1.1319 1.2406 1.7689 1.2066 0.935 0.9211 0.8909 0.9047 1.0589 0.9119 0.721 1.0699 1.5046 1.0819 1.2098 1.0771 1.2507 0.7347 1.1692 0.5694 1.1101 1.4751 1.0459 1.051 0.8479 1 0.9387 0.7817 1.4133 1.4544 0.7144 1.2926 0.7923 0.5905 0.8738 ursodeoxycholate 26.6139 0.8324 1 1.5143 0.9671 1.5491 1.3393 0.1646 0.4804 0.1463 1.1647 0.4193 0.4412 1.5813 1.8484 1.5639 4.0092 0.1463 0.1463 0.3708 0.5674 0.1463 4.6809 0.1713 0.3696 0.9696 1.1512 2.3315 0.8989 0.1463 1 0.1463 1.9722 2.4093 0.7834 1.8871 0.4282 1.3297 0.4135 0.1463 1.198 0.4973 2.1308 0.1463 0.3178 valerylcarnitine 0.9849 0.5027 0.7741 0.1944 0.1944 0.1944 0.1944 0.9339 4.081 0.5014 4.13 0.5956 3.6648 2.8939 2.7974 0.7162 1.0151 0.7243 0.1944 2.908 3.9175 0.1944 1.1615 0.5206 0.8921 0.3462 1.7074 1.9917 0.1944 0.1944 0.1944 1.5198 0.1944 0.4075 2.36 0.1944 3.6978 0.9058 0.5574 1.1501 1.6962 0.1962 0.1944 0.2809 1.0942 valine 1.1677 1.056 0.985 0.9084 1.097 0.8629 1.0384 0.9726 1.1386 0.9985 1.0796 1.0562 1.317 1.075 0.6295 1.0184 1.1897 0.9934 0.9579 0.988 0.9598 1.0015 0.8971 1.0225 0.9137 0.5509 1.0983 0.9053 0.5552 0.9632 0.9214 1.0467 0.5231 1.0422 0.6574 0.9111 0.9589 1.0795 1.1729 1.0167 1.0925 0.904 1.0059 1.0855 1 valylleucine 1.9344 1.0534 1.5788 1.2662 2.771 0.5978 0.1744 0.8782 0.9099 1.7634 0.6179 3.2179 0.1744 0.4094 0.1744 0.9466 1.2034 0.1744 1.1861 0.7883 0.8121 0.1744 0.4591 0.1744 0.1744 0.1744 1.1211 0.1744 0.6545 0.1744 3.6869 1.432 0.7038 1.0911 0.1744 0.1744 0.7575 0.9089 2.6734 0.1744 0.1744 1.3571 0.1744 0.1744 0.6858 vanillylmandelate (VMA) 0.3021 0.3021 0.3161 0.9694 0.3021 0.3021 0.3021 1.2713 0.3021 0.3021 0.9713 2.1285 4.1252 1.8647 3.628 0.3021 1.0362 0.9942 0.7226 3.0326 0.3021 0.8196 1.5121 0.8598 0.9195 2.7749 1 0.7795 1.2365 0.3021 1.0857 0.3306 2.4483 1.4811 0.7033 0.3021 0.8505 0.3021 1.9316 1.5077 0.9143 0.3676 0.6479 0.3021 1.6926 xanthine 0.8379 0.5421 0.7325 1.6097 1 1.8026 1.4416 0.8831 0.9945 0.8712 0.7979 1.7461 1.9423 1.1929 1.0288 0.1525 1.8801 0.6152 1.3903 1.1679 0.1525 0.9425 1.0664 0.6807 0.7462 2.0038 1.1054 0.8926 2.0797 1 1.3519 1.5835 1.1294 0.5522 0.7945 0.9306 1.093 0.7334 1.7457 1.1985 0.4341 0.6639 1.1638 0.5228 0.7024 xanthosine 0.3946 0.3946 0.5179 0.3946 0.3946 3.6967 2.888 0.3946 0.3946 0.482 0.3946 2.7394 4.0582 0.3946 0.5675 0.3946 1.3509 0.3946 0.3946 0.7664 0.3946 0.3946 0.3946 0.3946 0.3946 1.4899 1 0.8901 1.8092 0.3946 0.3946 3.7265 0.7762 0.3946 0.6111 0.7219 1.0458 0.8251 1.827 0.9542 0.5397 0.3946 1.2353 0.3946 1.096 xylitol 0.9786 1.6201 1.0213 0.3923 0.9888 6.5323 9.5522 0.3923 0.7132 0.3923 1.0745 0.6878 1.9304 0.3923 0.8245 0.3923 0.3923 0.3923 0.3923 1.2188 0.3923 0.3923 0.3923 0.3923 0.656 1.0112 0.7451 0.6283 0.9778 0.3923 0.3923 0.3923 0.5379 1.0222 0.3923 2.884 1.0471 0.3923 1.0598 0.3923 0.3923 0.3923 0.5394 0.3923 0.3923 xylonate 0.6523 1.801 0.8273 1.1585 0.6335 1.063 0.6733 0.7215 0.9734 1.2084 1.1028 0.8314 1.3606 1.3439 1.0689 0.5748 0.693 0.6351 1.2764 2.3134 1.0266 0.9076 0.776 1.1127 1.6002 0.8847 1.7022 0.494 1.043 0.4209 0.9868 0.4209 0.4209 1.7069 0.448 0.8023 1.1702 1.0132 1.2628 0.4209 0.9287 1.0176 0.807 0.9519 2.5711 xylose 1.5812 0.9917 0.4738 0.897 0.4738 1.0219 0.6052 0.7616 1.279 0.7165 1.2714 0.4738 1.7237 1.2442 1.2194 0.4738 0.4738 0.4738 0.4738 0.747 0.7025 1.0425 0.554 0.652 1.4604 0.4738 1.5331 1 1.2731 0.6165 0.7861 0.4738 0.9717 1 0.5794 1.3461 1.0727 0.4738 0.4738 0.4738 0.4738 0.8458 1.2665 0.4738 1.5809 3-CMPFP** 0.4267 0.7152 0.4537 1.2857 1.0899 0.6987 0.5843 2.6682 2.8503 0.4973 1.362 1.5709 4.2154 3.6447 2.1417 0.9067 0.5527 0.9026 0.8402 1.2378 0.989 2.64 1.0499 3.3417 1.011 0.4068 0.8019 0.2547 0.7708 0.359 1.2144 0.9987 2.6747 4.5417 1.6753 0.4322 1.0446 0.551 1 1.4909 0.6662 2.2398 0.4843 4.1444 0.3935 hydroxy-CMPF 0.0914 0.2122 0.3516 0.4167 0.3907 2.194 1.0052 1.5501 2.1455 0.3508 0.3648 1.1691 2.1715 0.7566 0.9176 0.7948 1.1679 1.3819 0.9948 2.3328 1.9977 1.4339 1.7219 3.5928 4.8708 0.1849 0.7653 0.3447 0.1916 0.3053 2.2469 1 1.0473 1.6809 1.7609 0.7172 0.797 0.693 1.1099 3.1506 0.3847 2.8584 0.2323 2.0787 0.2863 1-(14 or 15-methyl)palmitoyl-GPC (a17:0 or i17:0)* 0.0949 0.2482 1.1603 0.9231 0.4555 1.3077 0.8261 1 1.4924 2.2592 1.8848 0.5708 0.4504 2.0188 0.7778 0.7635 0.5391 1.1903 0.3634 1.7754 1.5486 1.2739 1.1663 1.6293 1.8272 0.5612 0.9391 0.3046 0.8433 0.0949 0.0949 1.7867 1.8886 2.917 0.7132 0.6385 1.1741 0.8204 0.8128 1.0939 2.5847 2.2456 0.9061 1.6828 0.7563 1-ribosyl-imidazoleacetate* 0.5377 1.0443 1.1901 0.6403 0.2116 1.6865 1 0.4872 0.8171 1.6079 1.1128 0.7915 2.1365 1.9795 2.7429 0.0082 0.7041 0.0725 1.6355 0.5133 0.8166 0.0082 0.2066 0.6277 1.6645 5.8484 1.5351 1.3878 0.0082 0.0082 1.4751 0.0082 0.4735 0.2371 2.0594 0.0082 0.0082 0.8985 1.1015 1.1779 0.0082 1.1636 0.2388 0.0082 0.214 2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)* 0.7476 1.5824 0.621 1.1564 0.4968 1.5847 0.5229 0.9594 0.9442 0.8598 1.7787 1.9758 3.3992 3.0463 3.3458 0.2407 1.4039 1.2082 0.6865 1.0406 0.3255 0.6851 0.6512 0.5201 0.8526 1.679 2.2991 1.3679 1.6262 0.3806 0.8214 0.857 2.4242 1.3953 2.3392 0.9025 1.1477 1.1745 1.636 0.7588 0.5457 0.6958 0.6903 1 1.0122 2'-O-methyluridine 2.2942 2.152 0.5345 1.2046 0.4807 1.6622 0.9643 0.5788 0.8421 1.0305 1.1015 1.3276 2.0593 1.4537 0.8246 1.0247 1.8078 0.9753 0.8891 0.6697 0.756 0.6533 0.9563 1.3798 0.9221 1.7538 2.0613 0.7742 1.3914 0.6255 1.4347 1.5174 0.9475 1.4345 0.9523 0.5005 1.6076 0.5989 2.0844 1.6658 1.2966 0.9199 0.6834 1 0.9544 2-oxoarginine* 0.7656 0.6291 1.1592 0.8514 1.2346 0.8509 1.1683 0.9323 1.1131 1.7178 1.0102 0.8744 1.2104 0.9898 0.3224 0.4929 1.0528 1.0913 0.8873 0.9067 1.1853 0.9051 1.1968 1.5443 2.1745 0.0293 1.6963 0.8888 0.023 1.673 0.6759 1.1005 0.0476 0.7888 0.1627 1.5261 1.3023 0.9891 0.7765 0.9314 1 1.3492 1.2803 1.884 1.1714 3,4-methylene heptanoyl carnitine 0.4783 1.0141 0.2409 1.755 1.1535 0.2409 0.2409 0.7749 0.9432 0.4932 0.2409 3.0995 6.5741 3.056 1.2881 5.5805 1.3708 1.9996 0.9718 0.254 0.9666 0.4147 1.4903 0.4853 0.2409 0.5252 0.9859 1.3595 0.2409 0.2409 3.6617 1.9928 0.6467 2.0144 0.329 0.2409 0.3777 0.3303 1.9834 1.6684 1.1341 0.2409 0.2409 0.2912 0.8659 3-formylindole 1.04 1.0179 1.2635 0.9821 0.8868 1.1802 1.2671 0.8438 1.0778 0.9653 0.703 1.3033 2.2443 1.2589 0.5995 0.8049 0.809 0.9159 0.4923 0.5358 1.0182 0.8119 0.9821 1.5363 1.1185 0.6847 1.0321 1.2029 0.6416 0.5118 0.8421 1.1145 0.8766 1.2161 0.7953 1.5606 1.1229 0.7283 2.2496 1.4477 1 0.6839 1.5652 1.2461 0.6336 3-formylindole* 0.9835 1.0658 1.5839 0.9454 1.3745 1.5294 2.1246 1.1986 1.0869 1.5287 0.4537 0.958 1.3226 0.8457 0.9149 0.9173 0.7894 1.1194 0.4707 0.5451 1.0165 0.9698 0.7898 2.225 1.2655 0.6131 1.3937 0.9527 0.394 1 0.9035 1.0844 0.4879 1.273 0.583 2.1784 0.9474 0.6726 1.6735 1.3737 1.0889 0.9604 1.2188 1.3999 0.9963 3-hydroxybutyroylglycine** 0.1173 0.1173 0.1173 0.1732 0.1173 16.1687 18.7561 0.1173 0.1173 0.7932 0.1173 0.7186 0.1173 1.8241 0.1173 0.1173 1.1919 0.1173 0.5854 0.1173 0.1173 0.1173 0.1173 1 0.1173 0.1173 0.1173 0.1173 0.1176 1 1.552 0.1173 0.1173 0.6898 1.5416 6.9978 0.1173 0.518 3.3872 1.8124 0.1173 0.9267 0.1173 0.2927 1.6516 3-hydroxybutyrylcarnitine (2) 0.1988 0.5632 0.1988 0.1988 0.1988 2.8568 11.7967 0.1988 0.1988 0.9107 0.1988 2.1429 2.652 0.1988 1.0893 0.1988 0.1988 0.1988 0.1988 0.1988 0.1988 0.1988 0.1988 0.1988 0.1988 0.1988 0.5262 0.265 0.1988 0.599 0.1988 0.1988 0.1988 1 0.1988 1.1359 0.1988 0.1988 0.5505 0.1988 0.1988 0.1988 0.1988 0.1988 1.2873 3-S-cysteinyl-2-methylpropanoate* 0.7065 0.2981 0.2981 9.7058 0.2981 1.1268 4.0561 0.2981 0.2981 0.2981 0.2981 0.4474 3.9405 0.2981 0.8732 0.2981 0.2981 0.2981 0.2981 0.2981 0.2981 0.2981 0.5327 0.2981 0.2981 0.2981 0.2981 0.2981 0.2981 0.2981 0.4877 0.2981 0.8599 1.4628 3.9704 1.144 0.2981 0.2981 1 0.7661 0.2981 0.2981 0.2981 1.9975 0.2981 5,6-dihydrouridine 1.2316 0.9942 0.8303 1.2596 0.5204 0.7725 0.57 0.7811 1.1214 1.1441 1.1473 0.8531 1.4898 1.2906 1.3809 0.6337 0.8737 0.899 1.0058 1.0238 0.7924 0.7078 0.9662 0.8675 1.0236 1.373 1.9123 1.0531 1.0071 0.5406 1.2283 1.0825 0.996 1 0.9781 1.4448 1.1246 1.0031 1.144 1.096 0.8072 0.905 0.9851 0.4718 0.9295 5-dodecenoylcarnitine (C12:1) 1.9642 1 0.0928 0.2801 0.0715 1.9102 5.4691 1.0331 0.3802 2.6621 0.4049 2.0445 2.0284 3.2835 2.2877 1.4144 0.2608 2.5676 0.3308 0.0915 0.5838 2.3144 0.1406 0.0451 0.0451 0.5144 0.3956 1.3408 0.1143 1.4248 1.2221 2.8059 0.3366 1.3145 0.4156 0.1282 1.806 0.4106 2.3624 0.8359 2.1371 0.3016 1 0.924 4.0938 6-bromotryptophan 1.7332 1.1081 1.3183 1.6036 1.0045 1.5212 0.7628 0.9636 1.7657 0.6505 1.0075 0.6348 1.4981 1.5012 0.7549 0.8742 0.9955 0.7114 0.6426 0.6693 1.0945 0.8365 1.0608 0.6112 0.5899 0.8059 2.2315 1.2898 1 0.5391 1.345 0.3401 2.5288 1.404 1.1727 0.3183 1.2799 0.7215 1.2402 1.5843 0.9395 1.275 0.8901 0.8031 0.3959 androsterone glucuronide 2.2482 0.4501 0.4659 1.9417 0.39 0.4742 0.3082 1.1677 2.8511 2.3931 2.7865 0.2769 0.296 2.0968 3.0015 0.7588 0.6044 0.5951 0.8055 1.2483 0.9313 0.8713 1.6161 1.0687 1.288 0.6661 1.4611 2.1029 0.6676 0.2769 0.6646 1.8304 1.8181 0.6927 0.9859 0.4082 1.3022 1.0309 1.1334 2.738 1.2903 1.0141 0.7926 0.9728 0.3437 argininate 0.655 2.5791 2.1615 0.5039 0.6789 0.0856 0.0856 0.5575 1.1423 0.4941 1.2745 2.2536 4.95 2.0698 2.0936 0.0856 0.8822 0.3104 0.1904 1.9344 2.4428 0.1872 1.0497 1 3.3298 0.7776 0.3571 0.4577 0.7503 0.0856 1.709 1 1.7895 0.3214 3.204 1.1571 0.0856 0.5156 0.0856 1.0972 0.0856 1.0348 0.1116 0.0935 0.0856 glycodeoxycholate sulfate 0.0582 6.0129 1.2298 1.563 0.2304 2.2488 4.3192 0.0381 0.1082 2.2462 2.5353 1.853 1.8877 1 1.1426 0.2831 0.6427 0.2039 0.0613 0.7246 0.7404 0.6223 1.4078 1.2313 3.3365 0.4659 0.5513 0.596 0.2596 0.4702 5.7289 0.2672 7.4428 3.9476 3.5447 0.6955 0.0381 1.0395 1 0.9405 0.5007 1.5978 1.8258 1.108 0.5682 hexanoylglutamine 4.0483 2.0291 0.1628 0.4703 0.1628 1.4157 23.5295 0.8699 0.6972 1.2813 0.394 4.0975 3.8593 1.9996 1.2389 0.4289 0.3001 0.5795 0.6245 0.2772 0.659 1.5306 0.1628 0.1628 0.2788 1.1301 0.1628 3.1431 0.1628 4.6105 0.2036 0.6332 0.1628 1.8532 0.1628 0.1628 0.899 0.1628 1.1058 0.785 1.101 0.1628 0.5569 0.1628 2.5558 hydroxy-CMPF* 0.0758 0.2313 0.3335 0.4459 0.4475 1.8859 0.8887 1.4367 2.1365 0.3229 0.3409 1.1408 2.4156 0.7151 0.6562 0.766 1.2324 1.3898 1.1113 2.3971 1.7998 1.3237 1.8367 3.5886 4.6465 0.1729 0.686 0.3209 0.1944 0.2956 1.988 1 1.2019 1.3727 1.4143 0.6089 0.7307 0.7218 1.0534 3.2126 0.3985 2.6759 0.2544 1.5662 0.2632 methylnaphthyl sulfate (2)* 1.1411 2.3389 1.747 0.5441 0.1345 0.4549 0.1345 0.6958 0.335 14.0587 0.1713 0.1345 0.6511 1.5983 0.3581 0.1345 0.1345 0.5264 1.1771 0.8589 1.5674 0.1345 0.6506 1.5472 4.0583 0.1345 1.5234 0.1345 0.705 8.742 0.9362 1.1577 0.6302 3.497 2.2078 5.7434 0.9843 0.1345 1.2218 0.6261 0.1345 0.773 1.6819 1.0157 0.6895 myristoleoylcarnitine* 2.2827 0.4878 0.7672 0.9962 0.4788 1.1016 5.4321 1.0038 0.6843 2.3546 0.1438 1.242 1.5586 2.2118 2.0033 1.4859 0.5566 1.2397 0.0903 0.1217 0.4254 1.5849 0.3593 0.1981 0.1402 0.8952 1.4963 1.8885 0.3447 1.2994 0.7785 4.2095 0.3759 1.4769 0.6412 0.1771 1.8365 0.8028 1.5236 0.6823 3.6169 0.0903 1.1972 0.2671 5.494 N-acetyl-2-aminoctanoate 1.0615 0.6864 6.2065 2.2275 1.027 1.1733 0.5929 2.0916 2.6567 0.1839 0.3533 0.7353 0.7278 0.973 2.0554 1.4131 0.3764 0.8232 2.1963 1.4773 0.2944 0.8745 0.8633 0.7136 0.6126 1.1372 1.7218 1.6139 0.2503 0.214 1.8993 0.8924 1.8787 3.6417 0.5993 1.3576 0.3367 0.7343 1.7837 1.1076 1.3864 2.8403 0.3109 0.1373 0.1373 N-acetyl-isoputrenine* 1.2044 2.0963 0.7247 0.9971 0.532 0.9244 1.3679 0.1105 0.1914 0.9798 0.1105 1.5094 1.748 3.6154 1.0347 0.8446 1.1661 0.8318 0.2509 1.2323 1.2379 0.3713 1.0926 0.5983 1 1.4899 1.5442 0.8645 1.3478 0.1105 0.6337 0.9938 0.668 0.5196 1.0793 1.6086 0.5679 1.1411 1.2918 0.7832 0.5452 1.4477 1.0062 0.2343 1.4572 pyroglutamylproline* 1.8413 0.4995 0.4995 0.4995 0.4995 0.4995 0.4995 0.4995 0.4995 0.4995 0.4995 0.4995 0.8671 4.7373 3.3183 0.4995 0.6447 0.4995 0.4995 0.4995 0.4995 0.4995 1.0767 0.4995 0.4995 1 0.4995 0.936 0.4995 0.4995 0.4995 0.4995 0.6041 0.4995 4.0802 1.0619 0.7355 1.5105 0.4995 0.4995 0.9381 0.4995 0.4995 0.4995 0.4995 tetradecadienoate (14:2)* 3.0907 0.9249 0.4178 0.4898 0.6035 2.0913 2.9991 2.1233 0.4792 1.9443 0.279 3.7091 2.9736 0.9821 1.1035 4.1229 0.611 1.6102 1.0179 0.8658 0.9621 3.0152 0.528 0.3171 0.3318 1.1618 0.2228 2.2088 1.3392 0.7805 1.0775 3.1177 0.1853 1.034 0.5719 0.5375 1.0962 0.2301 1.7346 0.5807 1.7284 0.3111 1 0.5852 2.9874 thioproline 0.7845 1.0773 1.8831 1.1141 0.987 0.5931 0.9855 0.6069 2.2606 0.7307 1.698 0.9213 1.2754 0.561 0.5667 1.9357 1.013 0.8937 0.9442 1.1419 1.481 1.5267 1.6682 1.2459 0.5649 0.7823 0.6737 1.3077 0.9565 0.2399 0.5158 1.0948 1.25 1.1383 0.8145 1.1399 1.165 0.6135 1 0.799 0.8399 2.523 1.2129 1.0691 0.9377 valine ion 1.0896 1.0976 1.3174 1.002 1.253 0.5428 1.1671 1.0938 1.2208 1.0432 0.938 1.0623 1.2451 0.9792 0.8479 0.795 1.3129 1.0291 0.9148 0.8981 0.8838 0.8971 0.998 1.0509 0.9243 0.843 0.9779 0.6862 0.818 1.013 0.8064 1 0.8933 0.8826 0.7581 0.7979 1.0783 1.3561 0.9824 1.1089 1.1734 0.8449 1.0735 1.0273 1.2081 metabolite_name retention index quantified m/z PubChem ID KEGG ID HMDB_ID 1-(14 or 15-methyl)palmitoyl-GPC (a17:0 or i17:0)* 1,2-propanediol HMDB01881 1,3,7-trimethylurate HMDB02123 1,3-dimethylurate HMDB01857 1,5-anhydroglucitol (1,5-AG) HMDB02712 1,7-dimethylurate HMDB11103 10-heptadecenoate (17:1n7) 10-nonadecenoate (19:1n9) HMDB13622 10-undecenoate (11:1n1) 13-HODE + 9-HODE 13-methylmyristic acid 15-methylpalmitate (isobar with 2-methylpalmitate) 16a-hydroxy DHEA 3-sulfate 16-hydroxypalmitate HMDB06294 17-methylstearate 1-arachidonoylglycerophosphocholine (20:4n6)* 1-arachidonoylglycerophosphoethanolamine* HMDB11517 1-arachidonoylglycerophosphoinositol* 1-arachidonoylglyercophosphate 1-arachidoylglycerophosphocholine (20:0) HMDB10390 1-dihomo-linoleoylglycerophosphocholine (20:2n6)* 1-docosahexaenoylglycerophosphocholine (22:6n3)* 1-docosahexaenoylglycerophosphoethanolamine* 1-docosapentaenoylglycerophosphocholine (22:5n3)* 1-docosapentaenoylglycerophosphocholine (22:5n6)* 1-eicosapentaenoylglycerophosphocholine (20:5n3)* 1-eicosapentaenoylglycerophosphoethanolamine* 1-eicosatrienoylglycerophosphocholine (20:3)* 1-eicosatrienoylglycerophosphoethanolamine* 1-eicosenoylglycerophosphocholine (20:1n9)* 1-linolenoylglycerophosphocholine (18:3n3)* 1-linoleoylglycerol (1-monolinolein) 1-linoleoylglycerophosphocholine (18:2n6) 1-linoleoylglycerophosphoethanolamine* HMDB11507 1-linoleoylglycerophosphoinositol* 1-margaroylglycerophosphocholine (17:0) HMDB12108 1-methyl-2-piperidinecarboxylic acid 1-methylhistidine HMDB00001 1-methylurate HMDB03099 1-myristoylglycerophosphocholine (14:0) HMDB10379 1-nonadecanoylglycerophosphocholine(19:0) 1-oleoylglycerol (1-monoolein) HMDB11567 1-oleoylglycerophosphocholine (18:1)* 1-oleoylglycerophosphoethanolamine HMDB11506 1-oleoylglycerophosphoglycerol* 1-oleoylglycerophosphoinositol* 1-oleoylplasmenylethanolamine* 1-palmitoleoylglycerophosphocholine (16:1)* 1-palmitoylglycerol (1-monopalmitin) HMDB31074 1-palmitoylglycerophosphate HMDB00327 1-palmitoylglycerophosphocholine (16:0) 1-palmitoylglycerophosphoethanolamine HMDB11503 1-palmitoylglycerophosphoglycerol* 1-palmitoylglycerophosphoinositol* 1-palmitoylplasmenylethanolamine* 1-pentadecanoylglycerophosphocholine (15:0)* 1-ribosyl-imidazoleacetate* 1-stearoylglycerophosphocholine (18:0) 1-stearoylglycerophosphoethanolamine HMDB11130 1-stearoylglycerophosphoinositol 2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)* 21-hydroxypregnenolone disulfate HMDB04026 2-aminoadipate HMDB00510 2-aminobutyrate HMDB00650 2-aminoheptanoate 2-aminooctanoate HMDB00991 2-aminophenol sulfate HMDB61116 2-arachidonoylglycerophosphocholine* 2-arachidonoylglycerophosphoethanolamine* 2-docosahexaenoylglycerophosphocholine* 2-docosahexaenoylglycerophosphoethanolamine* 2-docosapentaenoylglycerophosphocholine (22:5n3)* 2-eicosatrienoylglycerophosphocholine* 2-ethylhexanoate HMDB31230 2-ethylphenylsulfate 2-hydroxy-3-methylvalerate HMDB00317 2-hydroxyacetaminophen sulfate* 2-hydroxybutyrate (AHB) HMDB00008 2-hydroxydecanoate 2-hydroxyglutarate HMDB00606 2-hydroxyhippurate (salicylurate) HMDB00840 2-hydroxyisobutyrate HMDB00729 2-hydroxyoctanoate HMDB02264 2-hydroxypalmitate HMDB31057 2-hydroxystearate 2-isopropylmalate HMDB00402 2-linolenoylglycerophosphocholine(18:3n3)* 2-linoleoylglycerophosphocholine* 2-linoleoylglycerophosphoethanolamine* 2-methoxyacetaminophen sulfate* 2-methylbutyrylcarnitine (C5) HMDB00378 2-myristoylglycerophosphocholine* 2-oleoylglycerol (2-monoolein) 2-oleoylglycerophosphocholine* 2-oleoylglycerophosphoethanolamine* 2'-O-methyluridine 2-oxoarginine* 2-palmitoleoylglycerophosphocholine* 2-palmitoylglycerophosphocholine* 2-palmitoylglycerophosphoethanolamine* 2-piperidinone 2-stearoylglycerophosphocholine* 2-stearoylglycerophosphoethanolamine* 3-(4-hydroxyphenyl)lactate HMDB00755 3-(N-acetyl-L-cystein-S-yl) acetaminophen 3,4-methylene heptanoyl carnitine 3-[3-(sulfooxy)phenyl]propanoic acid* 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) HMDB61112 3-CMPFP** 3-ethylphenylsulfate 3-formylindole 3-formylindole* 3-hydroxy-2-ethylpropionate HMDB00396 3-hydroxybutyrate (BHBA) HMDB00357 3-hydroxybutyroylglycine** 3-hydroxybutyrylcarnitine (2) 3-hydroxydecanoate HMDB02203 3-hydroxyhippurate HMDB06116 3-hydroxyisobutyrate HMDB00336 3-hydroxyoctanoate HMDB01954 3-hydroxypropanoate HMDB00700 3-indoxyl sulfate HMDB00682 3-methoxytyramine sulfate 3-methoxytyrosine HMDB01434 3-methyl catechol sulfate (1) 3-methyl-2-oxobutyrate HMDB00019 3-methyl-2-oxovalerate HMDB03736 3-methylglutarylcarnitine (1) HMDB00552 3-methylhistidine HMDB00479 3-phenylpropionate (hydrocinnamate) HMDB00764 3-S-cysteinyl-2-methylpropanoate* 3-ureidopropionate HMDB00026 4-acetamidobutanoate HMDB03681 4-acetamidophenol HMDB01859 4-acetaminophen sulfate HMDB59911 4-acetylphenol sulfate 4-allylphenol sulfate 4-androsten-3alpha,17alpha-diol monosulfate (2) 4-androsten-3alpha,17alpha-diol monosulfate (3) 4-androsten-3beta,17beta-diol disulfate (1) HMDB03818 4-androsten-3beta,17beta-diol disulfate (2) HMDB03818 4-androsten-3beta,17beta-diol monosulfate (1) HMDB03818 4-androsten-3beta,17beta-diol monosulfate (2) 4-ethylphenylsulfate 4-guanidinobutanoate HMDB03464 4-hydroxyhippurate HMDB13678 4-hydroxyphenylpyruvate HMDB00707 4-imidazoleacetate HMDB02024 4-methyl-2-oxopentanoate HMDB00695 4-methylcatechol sulfate 4-vinylphenol sulfate HMDB04072 5,6-dihydrothymine HMDB00079 5,6-dihydrouracil HMDB00076 5,6-dihydrouridine 5-acetylamino-6-amino-3-methyluracil HMDB04400 5-acetylamino-6-formylamino-3-methyluracil HMDB11105 5alpha-androstan-3alpha, 17beta-diol-17-glucosiduronate 5alpha-androstan-3alpha,17alpha-diol monosulfate 5alpha-androstan-3alpha,17beta-diol disulfate 5alpha-androstan-3alpha,17beta-diol monosulfate (2) 5alpha-androstan-3beta,17alpha-diol disulfate 5alpha-androstan-3beta,17beta-diol disulfate HMDB00493 5alpha-pregnan-3(alpha or beta),20beta-diol disulfate 5alpha-pregnan-3beta,20alpha-diol disulfate 5alpha-pregnan-3beta,20alpha-diol monsulfate (2) 5-dodecenoate (12:1n7) HMDB00529 5-dodecenoylcarnitine (C12:1) 5-hydroxyhexanoate HMDB00525 5-hydroxyindoleacetate HMDB00763 5-methylthioadenosine (MTA) HMDB01173 5-methyluridine (ribothymidine) HMDB00884 5-oxoproline HMDB00267 6-bromotryptophan 6-oxopiperidine-2-carboxylic acid 7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) HMDB12458 7-methylguanine HMDB00897 7-methylurate 7-methylxanthine HMDB01991 acetoacetate HMDB00060 acetylcarnitine HMDB00201 acisoga adenosine HMDB00050 adenosine 3',5'-cyclic monophosphate (cAMP) HMDB00058 adenosine 5'-monophosphate (AMP) HMDB00045 adrenate (22:4n6) HMDB02226 ADSGEGDFXAEGGGVR* alanine HMDB00161 alanylleucine allantoin HMDB00462 allo-isoleucine alpha-hydroxycaproate HMDB01624 alpha-hydroxyisocaproate HMDB00746 alpha-hydroxyisovalerate HMDB00407 alpha-ketoglutarate HMDB00208 alpha-tocopherol HMDB01893 andro steroid monosulfate (1)* HMDB02759 androsterone glucuronide HMDB0002829 androsterone sulfate HMDB02759 arabinose HMDB00646 arabonate HMDB00539 arachidate (20:0) HMDB02212 arachidonate (20:4n6) HMDB01043 argininate arginine HMDB00517 asparagine HMDB00168 aspartate HMDB00191 aspartylleucine azelate (nonanedioate) HMDB00784 benzoate HMDB01870 beta-alanine HMDB00056 beta-hydroxyisovalerate HMDB00754 beta-hydroxypyruvate HMDB01352 betaine HMDB00043 bilirubin (E,E)* bilirubin (Z,Z) HMDB00054 biliverdin HMDB01008 biotin HMDB00030 bradykinin, des-arg(9) HMDB04246 bradykinin, hydroxy-pro(3) HMDB11728 butyrylcarnitine HDMB02013 caffeine HMDB01847 caprate (10:0) HMDB00511 caproate (6:0) HMDB00535 caprylate (8:0) HMDB00482 carnitine HMDB00062 catechol sulfate HMDB59724 C-glycosyltryptophan* chenodeoxycholate HMDB00518 cholate HMDB00619 cholesterol HMDB00067 choline HMDB00097 cinnamoylglycine HMDB11621 cis-4-decenoyl carnitine cis-vaccenate (18:1n7) HMDB03231 citrate HMDB00094 citrulline HMDB00904 corticosterone HMDB01547 cortisol HMDB00063 cortisone HMDB02802 cotinine HMDB01046 creatine HMDB00064 creatinine HMDB00562 cyclo(leu-pro) cyclo(L-phe-L-pro) cys-gly, oxidized cysteine HMDB00574 cysteine sulfinic acid HMDB00996 cysteine-glutathione disulfide HMDB00656 cystine HMDB00192 cytidine HMDB00089 decanoylcarnitine HMDB00651 dehydroisoandrosterone sulfate (DHEA-S) HMDB01032 deoxycarnitine HMDB01161 deoxycholate HMDB00626 dihomo-linoleate (20:2n6) HMDB05060 dihomo-linolenate (20:3n3 or n6) HMDB02925 dihydroferulic acid dimethyl sulfone HMDB04983 dimethylarginine (SDMA + ADMA) HMDB01539 docosadienoate (22:2n6) docosahexaenoate (DHA; 22:6n3) HMDB02183 docosapentaenoate (n3 DPA; 22:5n3) HMDB01976 docosapentaenoate (n6 DPA; 22:5n6) HMDB13123 docosatrienoate (22:3n3) HMDB02823 dodecanedioate HMDB00623 DSGEGDFXAEGGGVR* eicosapentaenoate (EPA; 20:5n3) HMDB01999 eicosenoate (20:1n9 or 11) epiandrosterone sulfate HMDB00365 erythritol HMDB02994 erythronate* HMDB00613 estrone 3-sulfate HMDB01425 ethanolamine HMDB00149 ethyl glucuronide etiocholanolone glucuronide ferulic acid 4-sulfate HMDB29200 folate HMDB00121 fructose HMDB00660 fumarate HMDB00134 gamma-CEHC HMDB01931 gamma-CEHC glucuronide* gamma-glutamylalanine gamma-glutamylglutamine HMDB11738 gamma-glutamylisoleucine* HMDB11170 gamma-glutamylleucine HMDB11171 gamma-glutamyllysine HMDB03869 gamma-glutamylmethionine gamma-glutamylphenylalanine HMDB00594 gamma-glutamyltyrosine HMDB11741 gamma-glutamylvaline HMDB11172 gluconate HMDB00625 glucose HMDB00122 glutamate HMDB00148 glutamine HMDB00641 glutamine-leucine glutarylcarnitine (C5) HMDB13130 glycerate HMDB00139 glycerol HMDB00131 glycerol 2-phosphate HMDB02520 glycerol 3-phosphate (G3P) HMDB00126 glycerophosphorylcholine (GPC) HMDB00086 glycine HMDB00123 glycochenodeoxycholate HMDB00637 glycocholate HMDB00138 glycocholenate sulfate* glycodeoxycholate HMDB00631 glycodeoxycholate sulfate glycohyocholate glycolate (hydroxyacetate) HMDB00115 glycolithocholate sulfate* HMDB02639 glycoursodeoxycholate HMDB00708 glycylleucine HMDB00759 glycylphenylalanine HMDB28848 guanidinoacetate HMDB00128 guanine HMDB00132 guanosine HMDB00133 heme HEPES heptanoate (7:0) HMDB00666 hexadecanedioate HMDB00672 hexanoylcarnitine HMDB00705 hexanoylglutamine hippurate HMDB00714 histidine HMDB00177 homocitrulline HMDB00679 homocysteine HMDB00742 homostachydrine* HMDB33433 HWESASLLR HWESASXX* hydantoin-5-propionic acid HMDB01212 hydroquinone sulfate HMDB02434 hydroxybutyrylcarnitine* HMDB13127 hydroxy-CMPF hydroxy-CMPF* hydroxycotinine HMDB01390 hypoxanthine HMDB00157 imidazole lactate HMDB02320 indole-3-carboxylic acid HMDB03320 indoleacetate HMDB00197 indoleacetylglutamine HMDB13240 indolelactate HMDB00671 indolepropionate HMDB02302 inosine HMDB00195 inositol 1-phosphate (I1P) HMDB00213 isobutyrylcarnitine HMDB00736 isobutyrylglycine HMDB00730 isoleucine HMDB00172 isoleucylleucine isoleucylvaline isovalerate HMDB00718 isovalerylcarnitine HMDB00688 kynurenate HMDB00715 kynurenine HMDB00684 lactate HMDB00190 laurate (12:0) HMDB00638 laurylcarnitine* HMDB02250 leucine HMDB00687 leucylleucine HMDB28933 linoleate (18:2n6) HMDB00673 linoleate, methyl ester linolenate [alpha or gamma; (18:3n3 or 6)] linoleoylcarnitine* HMDB06469 L-urobilin HMDB04159 lysine HMDB00182 malate HMDB00156 mannitol HMDB00765 mannose HMDB00169 margarate (17:0) HMDB02259 mead acid (20:3n9) HMDB10378 methionine HMDB00696 methyl glucopyranoside (alpha + beta) methyl indole-3-acetate HMDB29738 methylnaphthyl sulfate (2)* myo-inositol HMDB00211 myristate (14:0) HMDB00806 myristoleate (14:1n5) HMDB02000 myristoleoylcarnitine* myristoylcarnitine HMDB05066 N-(2-furoyl)glycine HMDB00439 N1-Methyl-2-pyridone-5-carboxamide HMDB04193 N1-methyladenosine HMDB03331 N1-methylguanosine HMDB01563 N2,N2-dimethylguanosine HMDB04824 N4-acetylcytidine HMDB05923 N6-acetyllysine HMDB00206 N6-carbamoylthreonyladenosine HMDB41623 N-6-trimethyllysine HMDB01325 N-acetyl-2-aminoctanoate N-acetylalanine HMDB00766 N-acetylalliin N-acetylarginine HMDB04620 N-acetylaspartate (NAA) HMDB00812 N-acetyl-aspartyl-glutamate (NAAG) HMDB01067 N-acetyl-beta-alanine N-acetylcarnosine HMDB12881 N-acetylglutamate HMDB01138 N-acetylglutamine HMDB06029 N-acetylglycine HMDB00532 N-acetylhistidine HMDB32055 N-acetylisoleucine N-acetyl-isoputrenine* N-acetylleucine HMDB11756 N-acetylmethionine HMDB11745 N-acetylmethionine sulfoxide N-acetylphenylalanine HMDB00512 N-acetylthreonine N-acetyltryptophan HMDB13713 N-acetyltyrosine HMDB00866 N-delta-acetylornithine N-formylmethionine HMDB01015 nicotinamide HMDB01406 N-methyl proline N-oleoyltaurine nonadecanoate (19:0) HMDB00772 N-palmitoyl glycine N-palmitoyltaurine o-cresol sulfate octadecanedioate HMDB00782 octanoylcarnitine HMDB00791 oleate (18:1n9) HMDB00207 oleic ethanolamide HMDB02088 oleoylcarnitine HMDB05065 O-methylcatechol sulfate ornithine HMDB03374 O-sulfo-L-tyrosine p-acetamidophenylglucuronide HMDB10316 palmitate (16:0) HMDB00220 palmitate, methyl ester palmitoleate (16:1n7) HMDB03229 palmitoyl ethanolamide HMDB02100 palmitoyl sphingomyelin palmitoylcarnitine HMDB00222 p-aminobenzoate (PABA) HMDB01392 pantothenate HMDB00210 paraxanthine HMDB01860 p-cresol sulfate HMDB11635 penicillin G HMDB15186 pentadecanoate (15:0) HMDB00826 phenol red phenol sulfate HMDB60015 phenylacetylglutamine HMDB06344 phenylacetylglycine HMDB00821 phenylalanine HMDB00159 phenylalanylarginine phenylalanylleucine phenylalanylphenylalanine phenylalanyltryptophan phenylcarnitine* phenyllactate (PLA) HMDB00779 phenylpyruvate HMDB00205 phosphate HMDB01429 pipecolate HMDB00070 piperine HMDB29377 pregn steroid monosulfate* pregnanediol-3-glucuronide pregnen-diol disulfate* pregnenolone sulfate HMDB00774 pro-hydroxy-pro HMDB06695 proline HMDB00162 propionylcarnitine HMDB00824 pseudouridine HMDB00767 pyridoxate HMDB00017 pyridoxine (Vitamin B6) HMDB02075 pyroglutamine* pyroglutamylglutamine pyroglutamylproline* pyruvate HMDB00243 quinate HMDB03072 quinine riboflavin (Vitamin B2) HMDB00244 ribose HMDB00283 ribulose HMDB00621 saccharin HMDB29723 S-adenosylhomocysteine (SAH) HMDB00939 salicylate HMDB01895 salicyluric glucuronide* serine HMDB00187 S-methylcysteine HMDB02108 sorbitol HMDB00247 sphinganine HMDB00269 sphingosine HMDB00252 sphingosine 1-phosphate HMDB00277 stachydrine HMDB04827 stearate (18:0) HMDB00827 stearidonate (18:4n3) HMDB06547 stearoyl sphingomyelin HMDB01348 stearoylcarnitine HMDB00848 streptomycin succinate HMDB00254 succinylcarnitine sucrose HMDB00258 sulfate* HMDB01448 tartarate HMDB00956 tartronate (hydroxymalonate) HMDB35227 taurine HMDB00251 tauro-beta-muricholate HMDB00932 taurochenodeoxycholate HMDB00951 taurocholate HMDB00036 taurocholenate sulfate taurodeoxycholate HMDB00896 taurolithocholate 3-sulfate HMDB02580 tetradecadienoate (14:2)* tetradecanedioate HMDB00872 theanine HMDB34365 theobromine HMDB02825 theophylline HMDB01889 thiamin (Vitamin B1) HMDB00325 thioproline threitol HMDB04136 threonate HMDB00943 threonine HMDB00167 thymol sulfate HMDB01878 thyroxine HMDB01918 tiglyl carnitine HMDB02366 trans-4-hydroxyproline HMDB00725 trigonelline (N'-methylnicotinate) HMDB00875 tryptophan HMDB00929 tryptophan betaine HMDB61115 tyrosine HMDB00158 undecanedioate HMDB00888 uracil HMDB00300 urate HMDB00289 urea HMDB00294 uridine HMDB00296 ursodeoxycholate HMDB00946 valerylcarnitine HMDB13128 valine HMDB00883 valine ion valylleucine vanillylmandelate (VMA) HMDB00291 xanthine HMDB00292 xanthosine HMDB00299 xylitol HMDB02917 xylonate HMDB60256 xylose HMDB00098