Metabolite_name RefMet_name DUKE-17572 DUKE-17573 DUKE-17575 DUKE-17576 DUKE-17579 DUKE-17581 DUKE-17582 DUKE-17584 DUKE-17587 DUKE-17588 DUKE-17591 DUKE-17593 DUKE-17595 DUKE-17597 DUKE-17599 DUKE-17601 DUKE-17603 DUKE-17605 DUKE-17570 DUKE-17571 DUKE-17574 DUKE-17577 DUKE-17578 DUKE-17580 DUKE-17583 DUKE-17585 DUKE-17586 DUKE-17589 DUKE-17590 DUKE-17592 DUKE-17594 DUKE-17596 DUKE-17598 DUKE-17600 DUKE-17602 DUKE-17604 Factors - Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grain Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass Sample source:Bovine_Meat | Factor:Grass 10-heptadecenoate (17:1n7) 10Z-Heptadecenoic acid 0.3890 0.3180 0.4576 2.8947 1.0261 1.8520 0.9625 0.5450 0.3781 0.9739 0.9512 0.9199 2.5243 0.3813 0.7343 0.4542 0.2936 0.5674 3.9896 3.6987 5.2606 0.8817 3.9193 3.0256 5.0774 0.9733 2.1200 2.4297 0.9245 1.2985 4.9261 3.6419 2.0326 2.8436 0.6350 3.3934 10-nonadecenoate (19:1n9) Nonadeca-10Z-enoic acid 0.3337 0.2540 0.2386 1.5862 0.5530 1.1399 0.5259 0.4348 0.2914 0.4431 0.4700 0.5549 1.4452 0.3335 0.4698 0.3098 0.2337 0.4760 2.8893 2.3388 3.9511 0.9821 2.9898 2.4179 4.0570 1.0177 1.8797 2.0334 0.9823 1.3261 3.7472 2.9674 1.9344 2.2965 0.6841 2.7913 12-HETE 12-HETE 1.7076 0.3602 0.5510 0.6131 1.1168 0.5241 3.8818 0.3906 0.7787 0.8634 0.8250 0.5102 0.8513 0.6863 0.6807 0.2939 0.3927 0.6562 2.6249 1.9597 1.9004 1.7726 2.2169 1.2477 1.7486 1.6401 1.9722 0.9336 1.0002 1.0396 2.2934 1.4610 2.0277 1.2046 0.9998 0.6263 (12 or 13)-methylmyristate (a15:0 or i15:0) Isopentadecylic acid 0.1681 0.2539 0.1959 0.8770 0.4308 0.9339 0.3315 0.1724 0.1937 0.2870 0.6457 0.4899 0.7751 0.1900 0.3971 0.1604 0.2450 0.3235 5.2371 4.2780 5.1523 1.1543 5.6816 4.1380 7.2948 1.3039 3.4665 3.0514 1.1692 1.6425 5.3615 5.3622 3.3367 3.8550 1.0661 4.2999 13-HODE + 9-HODE HODE 1.7553 0.4270 0.4750 0.9530 0.5276 1.0470 1.6932 0.7229 0.4156 0.6980 0.3920 0.6593 1.0920 0.3357 0.3700 0.3205 0.3879 0.8257 2.1312 2.6301 1.9564 1.1159 4.5621 1.4223 2.2760 0.9229 1.3744 1.2499 1.1649 0.7859 1.8223 1.5062 0.7437 1.2525 0.4411 1.7251 (14 or 15)-methylpalmitate (a17:0 or i17:0) Methylpalmitic acid 0.3963 0.3022 0.2455 0.8435 0.7247 1.1920 0.6693 0.3519 0.2951 0.4760 0.6137 0.7447 0.9654 0.4303 0.6325 0.2982 0.3291 0.5276 2.5075 2.5889 3.5059 1.0346 3.1103 2.3048 3.9335 1.2359 2.0105 2.0661 1.0818 1.5741 3.2053 3.2137 2.1133 2.6691 0.7854 2.6961 1_5-anhydroglucitol (1_5-AG) 1,5-Anhydrosorbitol 1.1923 1.6049 1.4099 0.8078 0.8863 1.3765 1.0385 1.1975 1.5925 1.2553 0.6712 1.3575 0.5515 1 1.4268 1.2256 1.5642 0.9621 0.7444 0.4070 0.4167 1.0698 0.6986 1.2137 0.8826 1.3195 0.8601 0.4562 0.3039 0.3039 0.9701 0.5846 0.7526 1.1666 1.2929 0.3084 15-HETE 15-HETE 1.6435 0.6918 0.8322 0.7856 0.6517 0.8677 5.9987 0.8457 0.4520 0.8841 0.5557 0.6041 0.8802 0.3651 0.4752 0.2595 0.4891 0.7526 2.7700 2.2999 1.9574 1.5421 2.4890 1.3900 1.5500 0.9512 1.7867 1.0488 1.0598 1.1033 1.8434 1.4552 1.1600 1.0746 0.7655 1.8788 (16 or 17)-methylstearate (a19:0 or i19:0) Methyloctadecanoic acid 0.4390 0.3563 0.3300 1.4608 0.6856 1.2961 0.9622 0.4984 0.3629 0.4711 0.6656 0.9462 1.5204 0.6068 0.5855 0.3297 0.3595 0.6343 1.8583 1.7499 2.6033 0.8193 2.1614 1.6731 2.8449 1.0378 1.4302 1.5930 0.7366 1.3373 2.5791 2.3002 1.4594 1.6771 0.6443 2.1770 1-linolenoyl-GPG (18:3)* 0.1543 0.1543 0.1543 0.1543 0.1543 0.1543 0.1543 0.1543 0.1543 0.1543 0.1543 0.1543 0.1543 0.1543 0.1543 0.1543 0.1543 0.1543 1.0999 1.0884 1.2448 0.1905 1.7386 0.8721 1.2741 0.3677 0.5560 0.9393 0.3786 0.3826 2.4210 2.8857 1.0038 0.9962 0.1543 3.4864 1-linoleoyl-GPG (18:2)* LPG 18:2/0:0 0.6306 0.1533 0.3933 0.9103 2.3028 0.4067 0.2795 0.3309 0.7638 0.3721 1.8803 0.1750 0.6073 0.2714 2.5212 0.6870 1.2043 0.1438 2.0232 2.2525 1.9449 0.6646 2.5100 1.4741 2.1100 0.9539 1.2896 2.0641 0.9870 1.0130 5.4228 4.6748 2.7075 2.3180 0.6542 6.3320 1-oleoyl-GPG (18:1)* LPG 18:1/0:0 0.4072 0.2542 0.5315 2.1514 1.1188 0.7313 0.6031 0.5293 0.6588 0.4102 1.2818 0.5593 1.5439 0.4067 2.0773 0.6548 1.0542 0.5568 1.2674 1.2528 1.7215 0.4505 1.7842 1.2775 1.2593 0.7385 0.9650 1.0350 0.4882 0.9281 3.9822 2.2903 1.6844 1.0853 0.2560 3.2210 1-oleoyl-GPS (18:1) LPS 18:1/0:0 0.7100 0.2403 0.7640 1.0500 0.6506 0.6701 1.8511 0.3792 0.6466 0.4918 0.7794 0.3260 0.9500 0.7757 1.6664 0.6027 0.7382 0.5605 1.8458 1.5193 5.3203 0.5189 8.6921 1.9831 1.3984 1.3459 1.4541 1.5944 0.8150 1.6636 4.9987 2.9007 2.1848 1.3959 0.5040 2.3635 1-palmitoyl-GPG (16:0)* LPG 16:0/0:0 1.1473 0.4075 0.6619 1.7074 1.3911 0.8209 0.3531 0.3980 0.6775 0.5137 2.4061 0.5628 0.9497 0.5700 2.7437 0.6998 0.9604 0.4994 1.4632 1.2785 1.7500 0.6464 1.1348 1.7263 1.1815 0.9295 1.1099 1.0081 0.6849 0.9919 1.0503 2.0778 2.2945 1.3505 0.5034 2.3138 1-stearoyl-GPG (18:0) LPG 18:0/0:0 1.0372 0.5447 0.6020 1.7009 1.5516 0.6469 0.4610 0.4672 0.5864 0.6248 1.4927 0.7045 1.0081 0.6785 1.7533 0.8440 1.0489 0.6950 1.3782 1.0262 1.4989 0.5987 0.9559 1.7100 0.9730 0.9919 1.7525 0.9287 0.7230 1.1824 1.1851 1.6580 1.8461 1.3276 0.6594 1.9588 2_3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)* 2,3-Dihydroxy-5-methylthio-4-pentenoic acid 0.9771 0.8881 0.9718 1.0190 1.4629 1.5352 0.7279 1.0525 0.8953 0.7598 0.9196 0.7533 1.3328 1.1315 1.3694 1.3339 0.8258 0.8174 0.9689 0.8985 1.2293 0.6978 1.1608 0.9432 0.9573 1.5530 1.3298 0.8851 1.2276 1.3207 0.9810 0.8554 1.0696 1.0268 1.3879 1.1693 2_4-di-tert-butylphenol 2,4-Ditert-butylphenol 1.5275 0.9841 1.1942 1.2294 2.3224 1.1368 0.2728 0.5375 1.6041 1.0073 2.9624 0.7349 0.5639 0.4201 2.5281 0.9927 0.7545 0.5174 1.5624 1.0653 1.2545 0.5201 1.0390 1.4017 1.0541 0.4788 1.1238 0.8210 0.5339 0.3632 1.2857 0.6286 1.1034 0.8722 0.5183 0.2936 2_8-quinolinediol sulfate 2.6724 1.5431 0.9307 1.0933 3.9519 1 0.8242 0.6217 0.7101 0.6088 0.4180 1.0076 1.0628 0.4180 1.0391 0.6541 0.5644 6.1851 0.4180 0.4180 0.4180 0.4180 0.4180 0.4180 0.4180 0.4180 0.4180 0.4180 0.4180 0.4180 0.4180 0.4180 0.4180 0.4180 0.4180 0.4180 2^-deoxyinosine Deoxyinosine 0.9406 1.0067 0.9603 0.5248 0.5699 0.5860 0.5341 0.4116 0.6968 0.8166 0.7660 0.9644 0.4940 0.3763 0.5615 0.5350 0.6716 0.7033 1.6144 1.3422 1.5085 1.3822 2.3506 1.8738 1.4732 1.6826 1.3124 1.0318 0.9933 1.1635 1.0794 1.3601 1.1674 1.6050 1.2295 1.6792 2^-deoxyuridine Deoxyuridine 1.0119 0.8964 0.6664 0.5457 0.6577 0.8015 0.4168 0.5003 0.6712 0.6199 0.8165 0.9165 0.5078 0.4860 0.8260 0.7710 1.2037 0.5279 1.7805 0.9881 1.2550 1.3835 1.5694 2.6580 1.5076 1.1107 1.1016 0.8644 1.4129 1.1160 1.0750 1.5509 1.3604 2.7199 1.9499 1.5814 2-hydroxy-3-methylvalerate 2-Hydroxy-3-methyl-pentanoic acid 2.0884 0.7284 0.3926 1.3785 2.5448 1 0.3926 1.0186 1.1365 1.0656 1.0475 0.9190 1.5901 0.9302 0.7048 1.6366 1.4291 0.3926 0.3926 1.2506 0.6963 0.7919 0.7279 0.6879 0.3926 0.7094 0.8860 0.3926 0.6635 0.3926 0.3926 1.7049 0.3926 0.3926 1.1802 0.8392 2-hydroxydecanoate 2-Hydroxycapric acid 1.4278 0.8757 1.1144 0.8465 1.5250 1.3310 1.2925 1.8074 1.3226 1.0536 0.8615 0.9404 1.0129 1.0675 0.8024 0.8663 1.2924 0.8758 2.3166 1.1628 0.9379 1.1718 1.2243 0.8359 1.3197 0.8771 1.0447 0.9871 0.8220 0.6295 0.6987 0.9213 1.3038 0.6744 0.7937 0.6939 2-hydroxyoctanoate 2-Hydroxyoctanoic acid 1.5908 0.9718 1.3739 0.8464 1.0516 1.2509 0.7638 1.3348 1.0395 0.9961 1.0518 1.1146 1.0646 0.9601 0.9491 1.3419 1.0039 1.1695 1.5497 1.1005 0.7899 0.9673 1.3838 1.2077 1.2765 0.9830 1.0302 0.8380 0.2838 0.9296 0.8186 0.9581 0.7720 0.8054 0.6050 0.8321 2-hydroxypalmitate 2-Hydroxypalmitic acid 0.9654 0.3432 1.0338 1.0657 0.6736 1.1724 10.0502 0.3383 0.5223 0.6575 1.2417 0.5802 0.8709 0.4685 0.6254 0.4067 0.9061 0.9845 1.3081 1.0155 1.6282 0.6161 5.4211 2.1782 0.9366 0.7697 1.3239 1.6912 1.3520 1.0169 1.3884 1.5208 0.9288 1.0604 0.7620 2.0863 2-methylbutyrylglycine 2-Methylbutyrylglycine 2.1658 2.3482 0.6429 0.6513 0.7590 0.4247 0.7551 0.3797 0.2392 0.4502 2.8479 2.2713 0.8199 1.2315 0.7909 0.6799 1.2146 1.2049 1.0555 0.8062 0.9675 1.4501 1.0190 1.6501 0.8664 1.1962 0.3761 0.9558 2.1517 1.4372 1.2183 1.7926 0.8376 0.9810 1.0294 1.0281 2-oleoyl-GPG (18:1)* 1.2377 0.6837 0.9780 1.9607 2.1289 0.8251 0.3107 0.6589 1.5070 0.9315 3.1882 0.6149 0.3107 0.6760 4.6324 1.0449 2.0567 1 0.9672 0.6590 1.5436 0.3107 1.4125 0.9330 0.3107 0.8476 1.1027 1.2890 0.4327 0.4961 2.4516 1.9486 1.8875 0.7127 0.7553 1.4652 2-oleoyl-GPS (18:1)* 1.1848 0.6273 1.5767 1 0.9682 0.8996 0.3117 0.4364 1.3011 1.0479 1.9039 0.3117 0.3117 1.1398 2.7659 0.9724 0.9808 0.6135 0.3117 0.9344 3.0181 0.3442 0.3117 1.2415 0.3117 0.6482 1.2788 1.3248 0.4542 1.0830 2.5145 0.8669 1.5060 0.9670 0.5564 1.3040 3-(4-hydroxyphenyl)lactate Hydroxyphenyllactic acid 1.5600 1.1316 0.7934 1.3933 1.9622 1.7376 0.5007 1.9147 0.9998 0.8805 1.2825 1.0002 1.4970 2.4692 2.3145 2.1314 0.7435 1.2707 0.7816 1.1481 0.9335 0.9519 0.8584 0.8758 0.6987 1.1556 0.8736 0.6537 0.7018 1.2111 1.1394 0.9817 0.9905 1.1588 0.7531 0.7605 (3^-5^)-adenylylcytidine ApC 0.6855 0.6855 0.7532 1.2875 1.3241 0.6855 1.2415 0.6855 0.9553 0.6855 0.6855 0.6855 0.6855 0.6855 0.6855 1.0271 0.8603 0.6855 0.8932 0.6855 1.4484 1.5888 1.4270 0.9356 0.9780 1.2665 0.6855 0.8556 0.6855 0.6855 1.2576 0.6855 1.4610 0.9318 1 0.9442 3-hydroxyhippurate 3-Hydroxyhippuric acid 0.3845 0.3845 0.3845 0.3845 0.3845 0.3845 3.0232 0.3845 2.6681 0.3845 0.3845 0.3845 0.3845 0.3845 0.3845 0.3845 0.3845 0.3845 0.8739 0.3845 0.4738 0.9126 0.5965 0.6717 2.8472 0.3845 0.6599 0.3845 0.8759 0.3845 0.3845 1.8783 1.0874 2.3611 1.1713 1.2128 3-hydroxyoctanoate 3-Hydroxyoctanoic acid 1.0712 1.0622 1.2605 0.8064 2.1892 1.8459 0.7612 1.5724 1.3695 1.0939 1.2279 0.6805 1.7299 1.4918 1.7304 2.1727 1.0400 0.8249 0.8630 0.7723 0.7492 0.8429 1.1508 1.8344 0.8935 1.2897 0.7610 0.4028 0.3450 0.9600 1.5478 0.6823 0.8218 0.8521 0.5270 0.6034 3-indoxyl sulfate Indoxyl sulfate 0.3840 0.6667 0.6038 0.9794 0.4726 1 0.4367 0.4908 0.3840 0.3840 0.3840 0.6739 1.0846 0.6484 0.5265 0.5386 0.5874 0.6532 0.8411 1.5145 0.9625 1.2266 1.6344 1.1799 1.5563 1.2488 0.7971 1.6630 1.8016 1.3046 1.4429 1.3295 1.7890 1.5482 2.5138 1.5606 3-methyl-2-oxovalerate 3-Methyl-2-oxovaleric acid 1 1.4923 0.6474 1.5272 0.6474 1.2731 0.6474 0.6474 0.6474 0.6474 0.6474 1.0189 0.6474 0.6474 0.6474 1.3640 0.6474 0.6474 1.3276 0.6474 1.1163 0.6474 0.6474 0.7782 0.6474 0.8253 0.8802 0.7511 0.6474 0.6918 0.6474 0.6474 0.8826 0.6474 0.8945 1.0409 3-methylhistidine 3-Methylhistidine 0.9900 1.0687 0.9815 1.0538 1.3405 0.9468 1.1905 0.5472 0.8836 0.9481 0.6272 1.0512 1.0287 1.0059 0.7102 0.9118 0.6611 0.7610 0.9827 1.0038 1.4947 0.9017 1.0814 1.2051 0.9035 1.3830 1.0685 0.7350 1.1087 0.8492 1.2685 1.3191 0.9298 1.0193 1.0719 0.9962 3-phosphoglycerate 3-Phosphoglyceric acid 0.2420 0.5559 0.5714 0.8691 0.2420 0.8395 0.9146 1.0264 0.3123 0.5036 0.2420 0.4891 0.6848 0.3965 0.4316 1.9745 0.6072 0.2420 3.3781 2.9840 1.4452 2.6622 1.8029 2.3374 0.5865 3.5361 2.3005 1.1174 1.2970 0.2420 1.2069 1.6497 0.4670 0.9736 1.6119 2.6069 4-ethylphenylsulfate 4-Ethylphenylsulfate 0.2043 0.1528 0.1528 0.1528 0.3063 0.1528 0.1528 0.1528 0.2429 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.1528 0.2064 0.1528 1.4295 0.9759 0.9420 0.8575 1.1661 1.4161 2.1800 1.0689 0.6604 1.3000 1 0.5864 0.7607 1.2724 1.6552 1.9067 1.6585 1.0696 4-hydroxy-nonenal-glutathione 8.6708 2.3728 3.5620 1.0249 1.7827 0.9036 2.4497 0.9181 2.1701 1.4687 1.1680 0.7121 0.9491 1 1.0929 0.7671 2.7256 1.9664 1.1258 1.1257 0.8941 0.8183 0.6359 0.8227 0.7867 0.5728 1.4362 0.4213 1.0087 0.8334 0.4213 0.4278 0.7176 0.4213 0.9498 0.4213 4-hydroxyphenylacetate 4-Hydroxyphenyl acetate 1.1268 1.2234 0.8525 0.5466 0.7954 0.9869 0.4183 0.6597 1.0307 0.6609 1.2925 0.8447 0.3232 0.5956 2.0425 1.2026 0.6143 0.5598 1.0597 1.0920 0.7098 1.0809 3.3651 1.1894 1.3206 0.6301 1.2342 0.2405 0.2405 0.2405 0.8711 1.0131 1.1016 1.0383 0.6654 1.1309 4-hydroxyphenylpyruvate 4-Hydroxyphenylpyruvic acid 1.9101 2.5760 1.4465 1.2223 1.3388 1.1974 0.5860 1.6097 1.2045 0.6066 1.7816 1.5659 1.0225 2.1092 2.1978 1.6388 1.0303 1.0080 0.6687 0.9403 0.8902 0.9920 0.2196 1.3646 1.4634 0.9554 0.4527 0.7647 0.4978 0.7436 0.5009 0.3755 0.3464 0.7846 0.5762 0.9235 4-methyl-2-oxopentanoate Ketoleucine 1.0793 1.7304 0.5567 1.3786 0.5567 1.2161 0.5567 0.9559 0.8024 0.5567 1.5456 1.2901 0.7106 0.7368 1.4027 1.6802 0.5567 0.5567 0.8139 1.1076 1.0441 0.5567 0.5567 1.0600 0.7096 0.6383 0.5567 0.5567 0.5567 0.8517 0.5567 0.5567 0.5567 0.5635 0.5567 0.8262 4-methylcatechol sulfate 0.8427 3.8796 2.7570 4.4004 0.4145 10.1098 12.7420 3.1476 1.0847 1.9117 0.2465 3.4430 4.7546 3.5997 5.6342 3.3866 1.2775 1.1764 1.7883 0.4525 0.7258 0.5529 0.3584 1.3300 0.5863 0.4419 0.3605 0.3902 0.8026 0.5083 0.5191 0.6610 0.6609 1.1562 0.6128 0.9153 5_6-dihydrouracil Dihydrouracil 1.1943 0.9955 0.3715 0.4563 0.8656 0.7586 0.1909 0.7486 0.6058 0.1909 1.2332 0.4477 0.1909 0.1909 1.0045 1.0892 0.4638 0.1909 1.4497 0.5434 3.1521 1.6400 0.8374 0.6414 1.0387 1.5820 1.0545 0.6179 1.5606 0.9644 2.1313 2.4305 1.3836 1.4956 0.8305 2.1234 5_6-dihydrouridine 5,6-Dihydrouridine 1.1666 1.1122 0.8962 1.0058 1.1940 1.0102 1.0966 0.6495 0.7337 0.6784 0.8315 1.0849 0.9462 0.6017 0.6568 0.9454 0.7392 0.6086 0.7610 0.7556 1.0908 1.2995 1.1018 1.2720 1.0959 1.3146 0.9809 0.8174 1.1075 1.0640 1.3766 0.9338 1.3054 1.5619 0.9942 0.9780 5-HETE 5-HETE 1.3655 0.2728 0.7897 0.9711 1.1888 0.5683 4.0504 0.4083 0.6250 1.1083 1 0.4086 1.1827 0.4680 0.5308 0.2728 0.4582 0.7727 2.5247 2.0715 2.1322 1.5833 2.2287 1.1663 1.1540 0.8365 1.6658 0.8308 0.9512 0.7804 2.0083 2.0011 1.1163 0.8923 0.6951 1.7428 5-methyluridine (ribothymidine) Ribothymidine 0.4464 0.4464 0.6810 0.6081 0.4464 0.6047 0.6905 0.4464 0.4464 0.4464 0.4464 0.4464 0.6747 0.4464 0.4464 0.4464 0.4464 0.4464 1.4860 0.4464 1.5273 1.3820 1.9218 0.9992 1.1360 1.3411 0.8735 0.6612 1.2518 0.8961 1.6397 1 1.8423 1.5658 0.9146 1.2289 5-oxoproline Pyroglutamic acid 0.6070 0.8361 0.6916 0.7593 1.2607 0.9900 0.4045 0.7536 0.5084 0.4991 0.8194 0.8074 1.0694 0.9717 0.8247 1.0126 0.8381 0.7656 1.2352 0.7630 1.2842 1.0411 1.0100 1.2497 1.5282 1.2108 1.2272 0.9188 1.4380 1.1882 1.1354 1.1107 1.3243 1.6032 0.9433 1.4412 6-oxopiperidine-2-carboxylate 6-oxopiperidine-2-carboxylic acid 0.5217 0.3814 1.5023 0.8851 0.7576 0.7831 0.7525 0.7769 0.9256 0.7173 1.0965 0.3814 1 0.6236 0.6468 0.4475 0.7324 0.4844 1.9439 0.4750 1.6893 1.5547 1.2614 0.5693 1.1417 1.1679 1.4377 1.3417 0.7267 1.3157 1.1075 1.1592 1.3334 1.7217 1.0899 1.3083 6-phosphogluconate 6-Phosphogluconic acid 2.1175 1.1564 0.9214 1.1893 0.9279 1.0014 0.6933 0.9986 1.0379 0.7486 1.1629 1.0261 0.8900 1.0483 1.0263 1.3508 0.7265 0.8736 0.8034 1.1124 1.3464 0.7842 0.6220 1.0141 0.8700 0.8942 0.8691 0.8963 1.4449 0.8217 1.0408 1.5247 0.7988 1.3379 0.5714 1.3240 8-hydroxyoctanoate 8-Hydroxyoctanoic acid 2.0092 1.1175 0.9458 0.4017 0.4017 0.9298 0.7735 0.7400 0.4017 1.0542 0.4017 0.7629 0.8752 0.4017 0.4017 0.4017 0.4017 0.7995 1.1209 1.4188 1.4670 3.9451 1.1953 2.3360 1.2234 0.4904 0.7827 0.4017 1.4027 1.5894 0.8992 0.7152 0.4184 0.4017 0.4017 1.2692 aconitate [cis or trans] cis-Aconitic acid 1.0088 0.9912 0.8735 0.4881 0.6349 0.4471 0.2981 0.3450 0.7569 0.6170 0.9012 0.8655 0.3544 0.2943 0.4645 0.4777 1.1259 0.7106 1.6645 1.8680 0.7482 1.5618 1.7525 2.7894 1.6945 1.9426 1.0892 1.2649 1.6970 1.9570 0.4461 1.2066 2.4561 1.4080 1.5064 1.1490 adrenate (22:4n6) Adrenic acid 0.9967 0.2808 1.2067 1.6624 2.4084 1.4300 1.1281 0.6580 1.6968 1.6795 1.7859 0.4446 1.0630 0.9855 2.4903 1.0262 1.0763 1.0424 1.2515 0.7558 1.4481 0.5817 1.3741 1.0033 0.8189 0.4765 0.7133 0.8197 0.4643 0.7207 1.2945 0.8211 0.7300 0.5928 0.4632 0.8050 alpha-hydroxyisocaproate 2-Hydroxyisocaproic acid 1.7210 1.0849 0.6146 0.8027 1.6160 1.1437 0.2899 0.9673 0.8560 0.6739 0.9891 1.0049 0.9503 1.1068 0.9227 0.9735 1.0885 0.6592 0.8287 1.5591 1.0277 0.9951 1.6187 1.1125 0.8175 1.0377 1.1051 0.6599 1.1015 0.8277 1.0233 1.3861 0.7556 0.7560 1.2713 1.1543 arachidate (20:0) Arachidic acid 0.6633 0.4718 0.9593 0.9772 0.9535 0.6918 0.6257 0.4276 0.5973 0.6407 1.0228 0.6615 0.8877 0.8728 1.0746 0.6862 0.9637 0.6621 1.3579 1.1806 1.8116 0.9201 1.8424 1.5883 2.0442 1.1488 1.7230 1.6427 0.8187 1.1416 2.2524 1.8300 1.8382 1.4084 1.0762 2.2322 arachidonate (20:4n6) Arachidonic acid 0.9804 0.3196 0.7428 1.0196 2.3334 0.5971 0.5399 0.2335 1.1350 0.9675 2.5010 0.2960 0.5914 0.6882 2.2794 0.6666 0.7207 0.4289 2.0194 1.1966 2.0857 0.6850 1.7771 1.6354 1.5583 0.5882 1.1585 1.2455 0.5714 0.5962 2.5588 1.5725 1.8923 1.0237 0.7205 1.6038 azelate (C9-DC) Azelaic acid 4.4523 2.1825 1.6342 1.0271 0.7150 1.8463 0.7885 1.6711 0.7525 0.8364 1.5867 0.9559 0.7402 0.4915 0.5930 0.5128 0.6461 0.6438 1.8749 1.4154 1.7107 3.7639 1.1002 2.5452 1.0852 0.9786 0.8828 0.7646 1.0565 2.0068 1.1032 0.9098 1.0214 0.7780 0.9002 0.9326 behenate (22:0)* Behenic acid 0.9787 0.3681 0.9117 0.3884 0.7156 0.8864 0.5897 0.4449 1.0037 0.3102 1.0028 0.7050 0.9358 0.9688 0.6608 0.9972 1.6269 0.3348 0.9142 1.6588 2.3711 1.0050 1.2746 2.4875 3.0320 1.2282 1.0516 2.3456 0.9637 1.1344 1.8213 2.2178 1.1275 3.1881 0.7954 3.4656 benzoate Benzoic acid 1.1188 0.8396 1.0187 0.8947 0.7247 0.8065 0.7476 1.0593 1.2482 1.1856 1.4014 0.9224 1.0295 0.6020 1.0113 0.9647 1.0918 0.8114 0.9374 0.6082 1.0545 0.8906 0.9123 1.4910 0.7679 0.7564 1.1713 1.3187 1.0010 0.9545 1.2134 1.4857 1.2804 0.9990 0.9665 1.7996 beta-citrylglutamate Beta-Citryl-glutamic acid 0.9870 1.2325 0.9101 0.8463 0.7844 1.0117 0.7215 0.4762 1.2367 0.6902 1.3744 1.2500 0.4444 0.5895 0.7693 0.8760 1.2080 0.5991 1.0365 0.7600 1.4792 1.2934 0.7543 0.9883 1.2034 0.9458 1.5281 0.8223 2.9500 0.9096 1.8480 1.3591 1.4895 1.3510 2.7241 1.6713 butyrylglycine 0.5171 1.2858 1.7547 0.7680 1.0158 0.4126 1.3970 1.3307 0.4126 0.7679 3.2497 1.6052 0.7411 1.2372 0.9417 1.2020 0.4126 0.7908 0.4126 1 1.7717 0.4126 0.4126 0.4126 0.4126 0.5915 0.4126 0.4126 0.9316 0.7333 0.4126 1.4149 0.4126 0.4126 0.4126 0.8112 caprate (10:0) Capric acid 0.9084 0.7593 0.7532 1.1295 0.7262 1.1703 0.9608 1.1245 0.8132 0.9195 0.8141 1.2116 1.1133 0.5490 0.7678 0.7256 0.7670 0.9605 1.7919 1.8802 1.7919 0.9500 1.3458 1.0973 1.6188 0.8646 1.2232 1.2421 0.9404 0.8028 1.1450 1.6787 1.0392 1.1507 0.6939 1.8514 caproate (6:0) Caproic acid 0.4248 0.8218 0.6462 0.4248 0.6825 0.6630 0.4248 0.4248 1.3622 1.4218 0.8055 0.4248 1.2466 1.4539 0.6579 1.5577 2.7281 1.4115 0.8768 0.4248 0.8168 0.4248 0.4248 1.1661 2.0662 0.8220 0.4248 1.9910 0.8935 1.1481 1 1.8394 0.7456 0.9338 0.4248 3.1609 caprylate (8:0) Caprylic acid 0.9816 1.1861 0.9453 1.0116 0.9179 1.0919 0.7136 0.9965 1.1915 1.0964 1.3879 0.9319 0.9703 0.7405 0.9309 0.9978 1.0507 0.8152 0.9985 1.0450 1.1619 1.0110 1.1064 1.1798 1.0955 0.8661 0.9990 0.9881 0.9328 0.8965 1.1765 1.1979 1.0857 0.9938 1.0010 1.1952 catechol sulfate Catechol sulfate 0.1791 1.0042 0.6807 0.6478 0.1398 1.1036 2.3738 0.6525 0.1998 0.4422 0.1454 0.9958 0.7413 0.4491 0.7082 0.7643 0.5318 0.3150 3.7367 1.1759 1.3482 1.4654 1.3177 3.4428 2.0083 1.1633 0.7577 0.8270 1.4057 0.8828 1.2946 1.6017 2.0866 3.4974 2.3036 1.6216 C-glycosyltryptophan C-Glycosyltryptophan 1.2537 0.7485 0.6482 0.9788 0.9104 1.1152 0.4748 0.7942 1.3057 0.5346 0.7833 0.9330 0.7060 0.7308 1.1811 1.0723 1.1156 0.5719 0.9819 1.0324 1.1300 0.9515 1.0685 0.8901 1.0980 1.0472 1.1584 0.8578 1.0181 0.9364 1.0789 1.0228 1.0561 0.9454 1.0518 1.0599 cholate Cholic acid 4.8304 1.1591 0.1398 0.3533 3.5887 0.8356 1.5034 0.8204 0.5696 0.1151 5.0143 1.0611 0.3289 1.0150 0.5158 0.9720 1.3096 0.5366 0.6291 0.4753 0.4032 1.5456 0.3312 1.3907 1.1224 1.1779 0.6885 0.3298 2.4489 0.9850 2.2535 2.3748 1.5257 1.2842 1.3629 0.7116 cinnamoylglycine Cinnamoylglycine 0.3820 1.0042 0.5986 0.3820 0.3820 1.4486 3.1577 0.5391 0.3820 0.3820 0.3820 0.6771 0.3820 0.5747 1.6911 0.9958 0.3820 0.4880 1.5395 0.6426 0.7552 1.7329 0.6800 0.9028 1.3453 0.8150 0.3820 0.3820 1.2047 0.3820 1.6024 2.3344 1.0242 1.8285 0.6762 1.4490 citrate Citric acid 1.6015 1.5366 0.7680 0.5816 0.5658 0.5632 0.3442 0.4296 0.8669 0.6195 0.8332 1.0079 0.4069 0.4486 0.6335 0.5208 0.8267 0.7753 1.7108 1.2109 0.8433 1.0269 1.1005 1.6099 1.1022 1.6387 1.4769 1.1936 1.2984 1.2838 0.4758 1.0581 1.3532 1.0489 1.5028 0.9921 dehydroascorbate Dehydroascorbic acid 0.6423 0.7899 0.4427 0.4599 1.2987 1.1479 0.2136 0.6208 1.0336 0.5212 0.5377 1.3529 0.4558 0.7324 1.1403 1 0.4428 0.3816 1.3006 1.4837 1.5988 0.9079 0.7923 1.7748 0.9319 1.2874 1.4731 1.5171 1.5124 1.3133 1.0710 0.6417 1.5222 0.7075 1.5397 0.2136 dihomo-linoleate (20:2n6) 11Z,14Z-Eicosadienoic acid 0.7059 0.3704 0.5309 1.9554 1.3068 1.3982 0.7808 0.4603 0.7634 0.8147 1.0833 0.5295 1.5956 0.5006 1.1926 0.6057 0.4940 0.6471 1.4787 1.0897 2.1419 0.4776 2.1993 1.7273 1.8529 0.5907 1.0127 1.4083 0.6107 0.7888 2.2507 1.4228 0.9873 1.0872 0.5341 1.3701 dihomo-linolenate (20:3n3 or n6) Dihomo-gamma-linolenic acid 0.8285 0.3646 0.7119 1.5051 2.4904 0.9942 0.6566 0.3818 0.8953 1.0424 2.3093 0.3914 0.9758 0.8473 2.3943 0.7578 0.7081 0.7424 1.6007 1.1610 1.9369 0.5801 1.8528 1.6045 1.4580 0.5849 1.0058 1.1557 0.5563 0.7107 1.9542 1.3267 1.4273 1.0400 0.6375 1.3280 docosadienoate (22:2n6) 13Z,16Z-Docosadienoic acid 0.9924 0.5177 0.8092 1.5023 1.3233 1.0897 0.5641 0.3861 1.1834 0.7919 1.2599 0.6110 0.9207 0.6009 1.3424 0.6172 0.7190 0.3844 1.1780 0.8677 2.6593 0.5908 3.2116 1.5059 1.5710 0.9384 1.0893 1.3372 0.7297 1.0076 2.1414 1.3734 1.2964 0.9849 0.6782 1.0790 docosahexaenoate (DHA; 22:6n3) DHA 0.3927 0.5101 0.1832 1.1207 1.1616 0.4583 0.1021 0.2560 0.3095 0.2110 2.3804 0.4361 0.5967 0.7539 1.4573 0.8089 0.3660 0.2556 3.9021 1.4596 3.1074 0.6283 2.8367 3.5443 1.8833 0.8793 1.6250 2.2998 0.8465 0.8001 3.3657 2.1827 2.5512 1.2140 1.2574 2.4567 eicosapentaenoate (EPA; 20:5n3) EPA 0.1417 0.3146 0.0493 0.4552 0.3958 0.1579 0.0392 0.1189 0.0670 0.0647 1.2029 0.2658 0.2764 0.2154 0.5035 0.3037 0.1168 0.1052 4.0244 2.3917 3.2535 0.9521 4.4291 4.4363 2.9783 1.4377 2.1062 2.6593 1.3656 1.0479 4.8484 3.3456 3.0478 1.8129 1.5576 2.9501 eicosenoate (20:1) cis-Gondoic acid 0.5633 0.4713 0.4776 2.7562 0.7362 1.6675 0.9547 0.7737 0.6667 0.8619 0.8419 1.0261 2.3090 0.5540 0.9739 0.5431 0.3472 0.9391 1.8448 1.6759 3.1540 0.7934 2.3842 1.8488 3.1942 0.8206 1.5332 1.8890 0.7404 1.2904 3.8853 2.3451 1.4325 1.5934 0.5680 2.3620 erucate (22:1n9) cis-Erucic acid 0.5039 0.3082 0.7488 1.0688 0.9963 0.5537 0.3294 0.2596 0.6366 0.4956 1.0087 0.3846 0.6409 0.5149 1.1950 0.5402 0.4746 0.3206 1.2272 1.1246 2.0534 0.8549 2.4627 1.1847 2.0205 1.0037 1.6017 1.3520 0.6552 1.1682 2.2913 1.8114 1.6727 1.1203 0.6619 1.3523 flavin adenine dinucleotide (FAD) FAD 1.1849 0.9217 0.8785 0.6068 0.6068 1.2483 0.6068 0.9409 1.1809 1.2057 1.6552 0.8424 0.6334 0.6068 1.0913 1.2639 1.4551 0.7948 0.6068 0.9265 0.8154 0.6068 0.6068 0.6068 0.8657 0.8387 1.4608 0.9747 1.1278 0.6068 0.9983 1.0017 1.1085 0.6934 1.7473 1.3288 flavin mononucleotide (FMN) FMN 0.5781 0.7116 1.0678 0.9713 1.0368 1.2633 0.9757 0.5421 0.6347 0.7507 1.5570 1.0599 0.8230 0.6487 0.6680 1.2951 0.8299 0.8171 1.0647 0.7369 1.1681 1.3443 1.3697 1.7929 1.6871 1.2144 0.7122 0.5659 1.0243 0.6353 0.7395 1.2484 1.8017 1.3579 0.4150 1.4329 fructose 1_6-diphosphate/glucose 1_6-diphosphate/myo-inositol diphosphates Fructose 1,6-bisphosphate 1.8863 2.5650 1.1560 0.8336 0.7564 0.4045 0.4045 0.4298 0.9855 0.8669 1.7079 1.0745 0.6359 0.4481 1.0649 0.4299 1.0145 0.5356 0.4045 1.1699 0.8605 0.8326 0.4985 1.0153 0.6011 1.5495 2.1430 1.2481 2.6827 1.1719 1.6723 0.8877 0.8698 0.5582 2.2357 1.0345 gamma-glutamylisoleucine* gamma-Glutamylisoleucine 0.8186 0.6617 0.6617 0.6617 0.6617 0.6617 0.6617 0.6617 0.6617 0.6617 0.6617 0.6617 0.6617 0.6617 0.6617 0.6617 0.6617 0.6617 1.3355 0.9874 1.4510 1.1320 0.7339 0.8117 1.1064 0.8953 1.0126 0.7050 1.5350 1.2858 0.9783 1.1219 1.0450 0.9189 1.4020 0.9528 glycerol Glycerol 1.0029 1.0025 1.1857 0.8983 1.1985 1.2715 0.7033 0.8446 0.7069 0.7974 1.4014 0.8044 0.8003 0.7055 0.9975 0.9285 0.8234 0.9412 1.0515 1.8189 1.6932 0.9446 0.8644 0.6137 1.4871 1.0706 1.1547 0.7697 1.0293 0.9328 1.4205 1.4930 1.0669 1.4654 0.6673 1.2437 glycochenodeoxycholate Glycochenodeoxycholic acid 1 1.2083 2.2699 0.1669 0.6935 1.0488 0.1669 0.5167 0.6317 1.6322 0.4100 0.9084 0.1669 0.1669 1.3660 0.6714 0.6886 0.1803 0.1669 0.8484 0.6994 0.6822 0.4651 3.2084 1.1447 1.6219 0.1669 0.8234 1.0592 0.5514 1.3563 1.4951 1.3838 1.1347 2.0829 1.7564 glycocholate Glycocholic acid 0.7781 1.6134 1.7456 0.2974 1.1206 1.3186 0.2099 0.7123 0.4111 1.2924 0.3865 1.7527 0.2339 0.2629 1.7761 0.6554 0.8045 0.3055 0.2780 0.9555 0.7612 1.1154 0.4511 2.4291 1.4943 2.3238 0.4214 0.6218 1.0445 0.4303 1.8681 2.2010 1.7193 1.4973 3.6950 1.8726 glycodeoxycholate Glycodeoxycholic acid 0.6891 1.2642 1.7368 0.1951 0.8717 1.4592 1.0502 0.6013 0.9897 1.0625 0.2734 1.0595 0.1951 0.1951 2.0008 0.5251 1.2152 0.3300 0.2252 0.3420 0.5082 1 1.1002 2.2308 1.4278 1.5890 0.1951 0.7915 0.7349 0.3216 0.6024 2.1949 2.5325 1.3716 2.1427 0.8419 guaiacol sulfate Guaiacol sulfate 0.6660 0.6660 0.6660 0.6660 0.6660 0.6660 0.6660 0.6660 0.6660 0.6660 0.6660 0.6660 0.6660 0.6660 0.6660 0.6660 0.6660 0.6660 1.7721 0.6660 0.7668 1.2392 0.9421 1.2380 0.6660 1.1212 1.1772 0.9587 1.3625 0.8653 1 0.9048 1.5524 0.7366 1.6159 0.7687 guanosine Guanosine 1.1280 0.9639 1.1479 1.6727 0.8778 0.9742 1.5183 0.9024 1.1269 1.1924 1.0222 1.7128 0.7286 0.9504 1.6670 1.2522 0.9126 1.2008 0.9322 1.4225 0.7420 1.3010 0.8787 0.9931 0.7854 1.3839 1.0248 1.1201 1.0069 0.9274 0.8176 0.5991 0.7120 0.8426 1.2108 0.5137 guanosine 5^-monophosphate (5^-GMP) GMP 1.3151 0.9905 0.8940 0.9922 1.1675 1.5397 0.3590 2.2627 1.9158 1.0671 1.1821 0.8863 1.0078 1.2420 2.0062 1.3471 1.2211 1.1771 0.3590 1.1666 0.9900 0.3952 0.3590 0.3590 0.4868 0.3590 0.6911 0.6304 0.9591 0.6681 0.8679 0.3590 0.4145 0.3590 1.8698 0.7644 heptadecatrienoate (17:3)* Heptadecatrienoic acid 0.2403 0.1707 0.1707 0.1707 0.3913 0.4454 0.2904 0.2440 0.1707 0.1707 0.2908 0.3630 0.4115 0.1707 0.1707 0.2339 0.1854 0.1707 2.2506 1.8909 2.0172 0.7564 2.9436 1.5768 2.3513 1.0239 1.2837 1.2446 1 0.6589 2.0178 1.8641 1.1708 1.4760 0.6095 2.2772 heptanoate (7:0) Heptylic acid 0.9356 1.5779 0.4524 0.8002 0.7003 0.7755 0.5026 0.4702 0.3083 2.1201 0.1074 0.5924 0.1074 0.1074 1.1015 0.1074 1.4915 2.9677 0.1074 1.9955 2.7582 2.7236 1.1562 0.8402 1.3882 0.1074 0.7860 1.3616 0.3754 0.1074 0.9728 0.6560 2.0467 2.0564 1.8372 1.0272 hexadecadienoate (16:2n6) 7Z,10Z-Hexadecadienoic acid 0.3273 0.1762 0.2782 1.2205 0.4632 1.0121 1.2067 0.4422 0.3361 0.6266 0.5152 0.5232 1.1522 0.2623 0.4490 0.2705 0.2487 0.4405 2.2515 2.4296 3.0324 0.7563 2.9503 2.6670 3.3037 0.9565 1.4042 2.2954 1.0457 0.9879 3.6550 2.6308 1.1891 1.7799 0.8820 2.4018 hippurate Hippuric acid 0.3484 0.9998 0.7211 0.7714 0.2189 1.9812 0.6081 1.0002 0.2695 0.4937 0.2561 0.8994 0.7206 0.7057 1.5566 1.2878 0.5385 0.4008 2.5436 0.9922 1.1927 1.6707 0.9492 1.9190 1.6929 1.0688 1.0473 0.7378 1.4337 0.8888 1.0486 1.2494 1.7328 2.3540 2.0505 1.4561 histidine Histidine 0.7129 1.2388 1.0200 1.0169 0.9117 1.0456 0.6723 0.8787 1.0335 0.8913 1.0244 1.0584 1.0276 0.9482 0.9379 1.0168 1.0589 0.8468 1.0845 0.8546 1.0810 0.9587 0.9256 0.8761 0.8979 1.0708 0.9832 0.7480 0.9384 0.8531 1.0502 1.0600 1.0261 1.0695 1.1246 0.8959 hypoxanthine Hypoxanthine 0.9528 1.0025 1.0570 0.8364 1.0267 1.0854 0.6814 0.7190 0.9604 0.9180 1.0320 0.9564 0.7717 0.7807 0.8522 0.9174 0.9975 0.8120 1.0637 0.8757 1.0983 1.0220 1.0721 1.0593 1.0699 1.0338 1.0166 0.8112 0.8955 0.9107 1.0504 1.0426 1.1226 1.1388 0.8788 1.0266 indolelactate Indolelactic acid 1.4741 0.9345 0.9043 1.4098 1.6229 1.8647 0.4859 1.8804 0.9959 0.8167 1.0411 0.7752 1.3081 2.3463 2.7679 1.9595 0.6596 0.9768 0.7552 1.2437 1.0041 1.0183 1.1104 0.7054 0.7348 1.0361 0.9446 0.7918 0.6555 1.1739 1.0559 1.1078 0.9613 0.9345 0.7678 0.8485 inosine Inosine 1.1845 1.1595 1.1180 1.0332 0.9053 0.8959 0.5411 0.8747 1.0650 0.9192 1.0075 1.2274 0.7886 0.9247 1.1584 1.0925 1.1868 1.1019 0.9148 1.2164 0.8613 0.9925 0.8371 1.0755 0.9709 1.1621 0.9433 0.9603 1.0451 1.1177 0.7587 1.0536 0.9358 0.8897 1.0758 0.8907 inosine 5^-monophosphate (IMP) IMP 1.9522 1.6410 1.1900 1.1945 1.0355 1.2296 0.1340 2.5486 2.1479 1.4008 1.2202 1.4620 0.8526 1.6308 2.4499 1.3268 1.7130 1.6041 0.0715 1.6539 0.4014 0.2609 0.0227 0.0521 0.4433 0.2833 0.5553 0.8136 0.9645 0.6443 0.5373 0.2403 0.1680 0.0839 1.5797 0.4623 isobutyrylglycine Isobutyrylglycine 0.5569 1.3652 0.8985 0.6969 0.5569 0.5569 1.4397 0.5569 0.5569 1.0030 0.8839 1.1651 0.6589 0.9343 1.2592 0.9548 0.5569 1.2302 0.5569 0.9970 1.1144 0.5569 0.5569 0.5569 0.5569 0.9282 0.5569 0.5569 0.5569 1.1626 0.5569 1.2633 0.5569 3.3307 0.5569 0.8290 isoleucylglycine Ile-Gly 2.7046 2.8062 1.6712 1.0490 0.6723 1.0274 1.2973 1.0315 2.5685 1.4258 2.0548 1.7257 0.6078 1.0130 1.1692 1.1981 1.7391 0.8475 0.7176 0.5786 0.9071 0.7688 0.6473 0.6404 0.7004 0.8759 0.8223 0.5235 0.8109 0.7029 1.0153 0.9034 0.9870 1.2980 1.0667 0.6952 isovalerylglycine Isovalerylglycine 1.2117 1.4108 0.7800 0.7145 0.6810 0.2296 0.5808 0.1475 0.1257 0.3036 1.7678 1.3522 0.3816 0.4921 0.7960 0.8726 0.9917 0.6488 0.1257 1 1.4650 1.8474 0.9685 1.3501 1.4471 1.3592 0.6869 0.9892 1.7673 1.6662 1.4802 2.2775 1.4498 1.4216 1.2419 1.6028 kynurenate Kynurenic acid 0.7709 0.7124 0.6412 0.6412 1.1297 0.7885 0.6412 0.7386 0.6412 0.6412 0.6412 0.6412 0.6412 0.6412 1.0447 1.0639 0.6412 0.6412 1.9458 1.0204 0.9103 1.1510 1.5613 1.5633 1.1078 0.6412 0.6929 0.8974 1.0681 1.2102 0.6412 0.9886 0.9913 1 0.6412 0.9847 laurate (12:0) Lauric acid 0.6179 0.5886 0.5589 1.0928 0.6212 1.0916 1.0731 0.9640 0.6725 0.7867 0.6459 1.0254 1.2424 0.5176 0.6969 0.6772 0.6601 0.8200 1.5287 1.9866 1.9364 0.9417 1.2262 1.0719 2.0765 0.9283 1.1421 1.3237 0.9746 0.8570 1.7930 1.7820 1.2289 1.2849 0.7086 1.9652 linoleate (18:2n6) Linoleic acid 1.0086 0.2853 0.5696 1.2162 1.9678 0.9332 0.6839 0.3665 1.0569 0.9526 1.7236 0.3807 0.9912 0.6212 1.9996 0.6721 0.5555 0.5290 1.4958 1.1622 1.7291 0.4889 2.0394 1.7475 1.6745 0.6102 0.9914 1.4682 0.5846 0.6064 2.1103 1.4998 1.1718 1.0355 0.5514 1.3318 linolenate [alpha or gamma; (18:3n3 or 6)] gamma-Linolenic acid 0.2720 0.1639 0.1381 0.6698 0.6287 0.3764 0.1996 0.2251 0.2118 0.2407 0.7595 0.2317 0.5872 0.2990 0.4880 0.3296 0.1890 0.1923 4.2503 3.8487 5.1043 1.2405 8.0789 5.0272 5.1881 1.9237 3.1185 4.0318 1.7103 1.4544 5.7505 4.6345 2.9020 2.8394 1.3471 3.9532 linoleoyl ethanolamide Linoleoyl-EA 0.7501 0.8924 2.1876 1.1010 3.4351 1.2438 1.8017 0.8686 2.4394 1.7523 3.3893 0.6119 1.0986 1.2139 2.6518 1.3185 0.9309 0.9771 0.2834 0.2834 0.9443 0.2834 0.2834 0.6773 0.2834 0.5607 1.0702 1 0.3239 0.5698 1.0107 0.6960 1.5628 0.2834 0.7355 0.9842 malate Malic acid 0.6171 1.1514 1.1224 0.7830 1.1518 1.4460 1.1941 0.6737 0.5847 0.6713 0.5737 0.4503 1.5309 0.7090 0.4776 0.9652 0.8789 0.3927 0.9564 0.6910 1.5408 1.2183 1.2012 1.1458 1.8443 1.1383 1.5390 1.3410 0.8870 0.7575 0.9987 1.1271 0.7563 1.0013 1.6710 1.3995 margarate (17:0) Margaric acid 0.6067 0.3996 0.4215 1.9753 1.1190 1.4003 0.7996 0.4535 0.5465 0.6049 0.8613 0.8190 1.9913 0.6425 0.8226 0.4650 0.4376 0.5350 2.3688 1.7267 2.8218 0.7478 2.4928 2.4176 2.4455 1.0234 1.4670 1.7234 0.8274 0.9766 2.9472 2.8159 1.6550 1.6960 0.7607 2.2312 myristate (14:0) Myristic acid 0.3853 0.4087 0.4081 1.8498 0.5619 1.3816 1.1653 0.5675 0.3356 0.7329 0.5943 1.2050 2.0267 0.3879 0.7005 0.3956 0.3725 0.7478 2.3848 2.3342 3.1829 0.6507 1.9813 2.0124 2.8855 0.6189 1.3674 1.8768 0.7417 0.8347 3.8093 2.5480 1.4375 1.4811 0.5014 2.2061 myristoleate (14:1n5) Myristoleic acid 0.1679 0.2998 0.3922 1.5667 0.3512 1.5671 1.8097 0.8315 0.2700 1.0556 0.3499 1.2280 1.6758 0.1624 0.3233 0.2876 0.2793 0.9505 1.6494 2.7243 2.9920 1.0215 1.4445 0.9785 3.6075 0.3435 1.0236 1.3645 0.6643 0.6115 4.6822 2.2996 0.8287 1.4368 0.2925 2.4500 N6-succinyladenosine Succinyladenosine 0.5266 0.5266 0.5266 0.7259 0.5266 0.5266 0.5266 0.5266 0.5266 0.5266 0.5266 0.5266 0.6877 0.5266 0.5266 0.5266 0.5266 0.5266 0.8557 0.5266 1.7149 0.9650 0.5386 0.5266 1.8887 0.7110 1.0275 0.6852 1.2698 1.0184 1.6874 2.2502 0.8880 1.1038 1.1451 1 N-acetylleucine N-Acetylleucine 1.0502 1.5057 0.8500 0.8135 0.9298 1.0445 0.7029 0.9287 0.8839 0.7417 1.8955 1.0710 0.7643 0.7984 0.8144 1.1475 1.2243 0.6326 1.3005 0.7924 1.4269 1.1870 1.0092 0.8421 1.4031 0.6831 1.9934 0.6247 0.9908 0.7581 1.9035 1.0156 1.4716 2.2831 0.7157 1.8941 N-acetylmethionine N-Acetylmethionine 1.2467 1.1493 1.0379 0.7344 0.6382 0.8734 0.4075 0.8460 1.1710 0.7745 1.2107 1.1931 0.4869 0.7819 1.1906 1.2009 1.0759 0.7139 0.8365 1.1254 0.9462 0.8475 0.7225 1.0486 0.9571 1.1147 0.9438 0.8709 1.2302 1.1643 0.8061 1.1027 1.0670 1.1721 1.1334 0.9621 N-acetylphenylalanine N-Acetylphenylalanine 1.2389 1.1799 0.8018 0.6638 1.0661 0.7989 0.4718 0.6935 1.2627 0.7679 1.6778 0.9823 0.6109 0.6612 0.9871 0.7769 0.9442 0.6565 1.7495 1.1080 1.2589 1.2265 0.9035 1.3737 1.3753 0.8456 0.9487 0.7095 1.0129 0.8090 1.7522 1.2291 1.5439 1.6954 1.0129 1.3169 N-acetylthreonine N-Acetylthreonine 1.1341 1.2324 0.9624 1.0569 0.7420 1.0482 0.6739 0.7194 0.9903 0.8069 0.8342 1.0509 0.7835 0.8694 0.9288 1.0635 0.9435 0.8842 1.0096 0.9817 1.1917 1.0112 1.0482 1.0016 0.8997 1.0116 0.9995 0.7879 1.1794 1.1163 1.1629 1.0655 1.1016 0.9696 0.8765 1.0005 N-acetylvaline N-Acetylvaline 0.7011 1.1099 0.6746 0.5591 2.1035 1.9878 0.3699 1.5115 0.6718 0.5123 1.5100 1.1253 1.0098 3.6478 2.3241 1.9056 0.5734 0.5250 1.0986 1.0258 1.1101 0.7185 0.6576 0.7818 0.8385 0.6250 1.0013 0.5139 0.8718 1.2392 1.2230 1.0635 0.9987 1.5818 0.4555 0.9192 NADHX* 1.4667 0.7035 0.8175 0.5927 0.8460 1.1549 0.7662 1.0491 1.4597 1 0.6190 0.3297 0.6977 1.0704 0.3297 0.5994 0.6380 0.4964 1.0965 0.8890 1.3112 0.7540 0.6308 0.5923 1.1889 1.2599 2.7896 1.2053 1.6333 1.2087 1.9682 1.4280 0.6678 0.8107 2.6562 1.2781 N-delta-acetylornithine N(5)-Acetyl-ornithine 0.9574 1.0922 0.6871 0.6749 1.1199 0.4074 0.3689 0.7529 0.3591 0.6095 0.8317 0.9771 0.8450 0.5390 0.6177 0.8190 0.5865 0.3727 0.9835 1.2079 1.0165 1.2284 1.5806 1.1257 1.3281 1.4987 1.8647 1.2314 1.0758 1.6169 0.7739 2.0122 1.2345 1.2442 1.0389 1.1007 N-formylmethionine N-Formylmethionine 1.2979 1.1409 1.0237 0.7899 0.8279 0.6768 0.5298 0.6918 1.4118 0.8965 1.2943 0.8890 0.6399 0.8059 1.2049 0.9053 1.0769 0.8174 1.1384 1.0103 1.4222 1.2031 1.1306 0.8974 0.9897 0.9593 1.0152 0.7555 1.0126 0.8505 0.9137 1.3477 1.1900 1.2738 0.8564 1.2979 N-formylphenylalanine N-Formylphenylalanine 1.4836 1.3085 1.2991 0.6027 0.9041 0.7321 0.7613 0.5809 1.4596 0.7987 1.1659 0.8208 0.4639 0.7114 0.7091 0.8539 1.2097 0.7838 1.2331 0.7547 1.2758 0.9007 1.0262 0.8140 0.8782 1.2268 1.3075 0.6873 1.3959 0.9907 1.1353 1.0093 1.4584 1.1608 1.2975 1.1750 nicotinamide adenine dinucleotide reduced (NADH) NADH 1.1577 0.7073 0.6104 0.4393 1.1305 1.2638 0.2522 1.1137 0.6077 0.5132 1.1685 0.4536 0.6764 1.2750 1.3148 1.1956 0.6592 0.5512 0.4565 1.6568 1.1459 0.9005 0.1932 0.4570 1.2697 0.8820 1.4863 0.9795 1.5220 1.2424 1.3083 1.0205 0.7121 0.3276 1.5342 1.0690 N-oleoyltaurine NA-Taurine 18:1(9Z) 0.2658 0.2658 1.5705 0.2658 1.1770 0.2658 1.2363 0.2658 1.4684 1.1986 0.2658 0.2658 0.9750 0.4995 0.8363 0.4391 0.8209 0.5884 1.0643 0.9531 0.7046 0.6200 1.9191 0.2658 1.3285 0.4959 1.3807 1.2619 0.2658 0.6316 2.4886 2.1641 1 0.9527 0.2658 2.4534 nonadecanoate (19:0) Nonadecenoic acid 0.4760 0.3881 0.3362 0.8442 0.7917 0.8251 0.4261 0.3450 0.4870 0.3624 0.7624 0.6475 0.9210 0.6442 0.6000 0.4282 0.5119 0.3992 2.2202 1.7836 2.7349 1.2675 2.2979 2.4542 3.4162 1.6921 2.0795 1.9798 1.2727 1.4629 3.3673 3.1463 2.6312 2.4739 1.0790 2.5485 N-palmitoyltaurine NA-Taurine 16:0 0.5073 0.7575 2.7463 0.5073 2.4486 0.5073 1.1844 0.5073 2.1426 1.5426 2.3349 0.5073 0.5073 0.6598 2.5812 0.5648 1.5550 1.1626 0.5073 0.5631 0.5073 1 0.9865 0.7087 0.8394 0.7202 1.9689 0.9761 0.7033 0.8047 1.7866 0.9332 2.0278 1.4846 1.4829 0.8083 octadecenedioate (C18:1-DC) 1.9296 0.6934 0.6669 0.6228 0.6461 1.0855 1.4331 0.7631 0.5201 0.4413 0.6812 1.4555 0.9884 0.3999 0.5644 0.5996 0.7037 1.0116 1.6800 2.1299 1.9971 1.1184 2.1789 0.9398 1.9116 1.1484 3.1695 1.0604 1.1406 0.8322 0.9837 2.7228 0.9159 1.4418 0.6121 2.0771 oleate/vaccenate (18:1) Oleic acid 0.4946 0.4540 0.4684 1.9084 0.7825 1.5438 0.9817 0.6239 0.4560 0.8669 0.8063 1.1194 1.7516 0.5387 0.8467 0.5160 0.4134 0.7911 1.9556 1.5886 2.1655 0.7373 2.0194 1.7762 2.0906 0.8462 1.3611 1.5932 0.7638 1.0183 2.4705 1.9061 1.2737 1.3902 0.6188 1.6540 oxalate (ethanedioate) Oxalic acid 1.0769 0.8872 1.0020 0.9412 0.8043 0.9130 0.8845 0.9651 1.1198 1.0814 1.2408 0.8292 0.9670 0.8701 0.9066 0.7233 1.2248 0.9469 1.1154 0.9984 1.1203 1.0915 1.0016 0.9713 1.0860 1.1098 0.9243 1.0933 1.1744 1.3001 0.8967 1.2646 1.0917 0.9385 0.9653 1.7180 palmitate (16:0) Palmitic acid 0.5696 0.4881 0.5879 1.2101 0.9701 1.0299 0.7630 0.4787 0.5716 0.7242 1.0403 0.7247 1.2343 0.7389 1.1161 0.5747 0.6627 0.6552 1.3950 1.0848 1.6343 0.6156 1.4750 1.3948 1.4247 0.7462 1.0578 1.2572 0.7239 0.8076 1.8420 1.6466 1.2562 1.0445 0.6574 1.6092 palmitoleate (16:1n7) Palmitoleic acid 0.2943 0.2513 0.4246 2.2198 0.5318 1.5306 1.0886 0.4901 0.2950 0.9581 0.6667 0.8503 1.8205 0.2519 0.6549 0.3550 0.2633 0.6029 3.0900 3.1766 4.4691 0.7619 2.7622 2.1795 4.0067 0.6710 1.7014 2.1282 0.6915 1.0419 5.0045 2.8333 1.6121 2.0321 0.4477 2.9367 pantothenate Pantothenic acid 0.9297 1.1700 1.4133 0.9973 1.5330 1.2549 0.8807 1.1892 1.3975 1.1354 1.5503 1.2360 1.0027 0.9890 1.1546 1.4361 1.0171 0.9298 0.8252 0.6332 1.3190 0.7316 0.7956 0.8473 0.6929 0.9206 0.9406 0.6924 0.8174 0.7791 1.1123 0.7131 1.0854 1.2062 0.8022 1.2773 p-cresol glucuronide* P-Cresol glucuronide 0.0772 1.1856 0.5048 1.0847 0.0772 0.7934 0.1475 0.2653 0.0772 0.3069 0.0772 1.1267 0.9405 0.6573 0.2814 0.3653 0.1687 0.1117 2.0069 1.2714 1.4873 3.0114 1.0450 0.7275 1.9930 1.0800 1.6095 0.8190 2.2784 0.9494 0.8395 1.6593 2.1471 2.7956 1.8286 1 p-cresol sulfate p-Cresol sulfate 0.4033 1.2433 0.6412 0.6826 0.2504 0.6877 0.1855 0.4096 0.1243 0.5158 0.1050 1.1286 0.7661 0.6429 0.4589 0.4771 0.4741 0.5548 1.4380 1.0878 1.1670 1.0842 1.2274 1.3626 1.1936 1.0465 0.6859 1.0368 1.3447 0.9726 1.0274 1.3241 1.3593 1.1488 1.3577 1.3232 pentadecanoate (15:0) Pentadecylic acid 0.3837 0.2958 0.3664 1.2798 0.7203 0.9958 0.6221 0.3045 0.3412 0.5739 0.7363 0.5639 1.3603 0.3296 0.6242 0.3148 0.3444 0.4567 2.3305 2.5964 3.6895 0.8647 2.5004 2.1486 3.8499 1.0440 1.5404 1.7385 1.0042 1.0947 2.9538 3.0774 1.8494 2.1337 0.7016 2.3841 phenol sulfate Phenyl hydrogen sulfate 0.1658 0.2545 0.2903 0.2548 0.2927 1.0779 0.3524 0.1997 0.1669 0.2606 0.1053 0.2553 0.2732 0.2088 0.4910 0.3453 0.1053 0.1726 1.1321 1.7049 1 1.1687 3.4936 1.8108 1.1835 1.1456 1.2335 1.5547 3.2921 1.8409 2.2102 1.4376 2.7333 1.1863 0.9381 1.3590 phenylacetylglutamine alpha-N-Phenylacetylglutamine 0.5071 2.7722 0.9844 1.7246 1.0270 1.2896 0.4651 1.0697 0.4651 0.5982 0.6726 2.3676 1.5036 1.4040 0.8762 1.3222 0.4695 0.7824 1.0156 1.1644 1.8697 0.7148 0.6651 0.6154 0.9436 0.5854 1.6871 0.7704 1.8287 1.1468 0.6646 0.5839 0.8230 0.4651 1.2656 1.2389 phenylacetylglycine Phenylacetylglycine 0.6336 0.9899 0.8724 1.0609 0.6531 0.8493 0.3514 0.6016 0.3171 0.6450 0.3732 0.9266 1.0101 0.8373 0.5232 0.9015 0.5418 0.8892 0.9125 1.2894 1.3726 1.6048 1.0796 0.8366 1.0425 1.3043 1.0692 1.0319 2.2836 1.4398 1.0663 1.4908 1.8117 1.1605 1.5350 1.4649 phenylalanylalanine Phe-Ala 2.9683 3.4190 1.3313 0.8127 0.7681 0.3986 0.5495 0.9932 2.3092 1.1807 1.5304 2.5364 0.2742 0.9563 2.0342 0.6758 1.2889 1.4948 1.0094 1.7336 0.9108 0.9511 0.8093 1.0134 0.8747 0.7499 0.8858 0.8368 1.1105 0.9577 0.6401 1.3472 0.7750 1.0411 1.3093 1.0068 phenyllactate (PLA) Phenyllactic acid 3.3081 1.0603 1.3450 2.3028 1.7926 3.4934 0.6522 2.1048 1.3614 0.9378 1.1232 0.7396 1.5093 2.3583 4.6804 5.1562 0.6994 0.7405 0.7280 1.5397 1.4380 0.8090 0.7987 0.8160 0.7248 0.7527 0.4458 0.6142 0.7014 0.9397 1.5697 1.3378 0.6590 1.7057 0.4531 0.8349 phosphate Phosphoric acid 0.9397 0.9373 1.0647 0.9229 1.0644 1.1268 0.8043 0.9477 0.9735 0.9587 0.9311 1.0062 0.9007 1.0288 1.0042 1.1154 0.9938 0.9026 0.9763 0.9158 0.9907 0.9974 0.9270 1.0482 1.0607 1.0387 1.0556 0.8910 1.0972 1.0015 1.0770 1.0064 1.0061 1.0147 0.9985 1.0312 phosphoethanolamine Phosphoethanolamine 0.9155 0.8820 1.1881 1.1148 0.9654 0.9854 1.0222 0.8730 1.0233 1.1416 1.1508 1.0869 1.1795 0.8317 0.9967 1.0169 1.0125 0.7373 0.9928 0.8614 1.0851 1.0103 1.1279 1.0451 0.8774 1.0079 0.8834 0.9898 1.2086 0.9570 0.9528 1.0033 0.8808 0.8846 0.8147 1.0835 propionylglycine Propionylglycine 2.0075 2.3403 0.1222 0.1222 0.6180 1.0410 0.1222 0.1222 0.1222 0.1222 1.0941 0.5137 0.3967 0.1222 0.8601 0.9901 0.5266 1.0099 1.4951 0.6983 1.0676 1.1930 0.2928 1.7039 0.9008 1.2277 0.3497 0.3089 1.4957 1.5581 0.6993 0.6952 1.0687 1.5983 0.7665 1.3525 pyridoxate 4-Pyridoxic acid 0.3983 0.8107 1.4323 1.6743 2.5523 1.5906 0.3392 1.3485 1.4421 0.8366 0.8137 1.5097 1.3200 1.0876 1.8292 1.8276 1.4208 0.8356 1.0152 1.1366 0.9256 0.9848 0.2706 0.7646 0.7112 0.9469 0.6508 0.8215 1.1091 1.1977 0.8653 0.7121 1.3843 1.4004 0.7169 0.8326 pyrraline Pyrraline 1.6162 0.9746 1.5524 0.5403 2.3497 0.7269 0.5403 0.5403 0.9298 1.0493 1.9387 1 0.5403 0.5403 0.8896 0.5403 1.2745 0.6657 0.5403 0.5403 0.5403 0.5403 0.5403 0.5403 0.5403 0.5403 0.5403 0.5403 0.5403 0.5403 0.5403 0.5403 0.5403 0.5403 0.5403 0.5403 S-(1_2-dicarboxyethyl)glutathione 0.9824 1.4342 1.6060 1.9547 1.1483 1.5748 0.6115 2.0762 1.9946 1.5940 1.4326 2.0408 1.3535 2.0334 1.7194 1.3862 1.5112 1.7057 0.3000 0.5512 0.7626 0.4631 0.3389 0.6072 0.8159 0.6267 0.8366 0.6015 0.7076 0.2363 0.4232 0.6301 0.1908 0.3130 1.7140 1.0176 S-adenosylhomocysteine (SAH) S-Adenosylhomocysteine 1.2882 1.4933 1.3139 0.9797 0.9757 0.5912 0.2856 1.1323 1.7502 1.3894 1.2707 1.5364 0.8177 1.2373 2.3716 1.0367 1.1085 2.4664 0.6979 1.1155 0.7515 0.5084 0.5635 1.0220 0.6703 1.0203 0.7428 0.9051 1.0846 1.3710 0.3296 0.9378 0.6938 0.7881 0.7580 0.7951 stearate (18:0) Stearic acid 0.7416 0.5780 0.7287 1.3234 1.1090 0.9915 0.6832 0.4620 0.7058 0.6819 1.1979 0.7973 1.2929 0.9208 1.2030 0.6247 1.0085 0.7054 1.5071 0.9032 1.6803 0.6679 1.5890 1.7743 1.5005 0.9540 1.1884 1.4986 0.8884 0.9449 2.1547 1.9595 1.5217 1.1993 0.8637 1.9976 sulfate* Sulfate 1.1676 1.4160 1.7687 1.3579 1.4205 1.8441 1.5058 2.0257 1.5958 1.8262 1.5827 1.8165 1.1070 1.2482 1.2040 1.7810 1.6184 1.4648 0.4630 0.1672 0.5100 0.2194 0.5466 0.5467 0.4988 0.3546 0.7696 0.8769 0.8930 0.5492 0.7334 0.6756 0.5607 0.4541 0.7809 0.5206 taurocholate Taurocholic acid 0.2348 1.4567 2.4689 0.7776 1 3.0695 0.5421 2.5223 0.6992 2.0094 0.3044 2.1010 0.5110 0.5058 4.1581 1.5907 0.9427 0.8458 0.1918 2.0090 1.3439 0.1918 0.2486 0.9563 2.9226 1.0739 0.4162 0.3841 0.3439 0.2659 1.2873 2.9387 0.6242 1.4762 1.1162 2.1265 taurodeoxycholate Taurodeoxycholic acid 0.3344 0.8728 1.7591 0.3344 0.5324 2.6923 1.6965 1.6056 0.5974 1.3165 0.3344 0.8279 0.3344 0.3344 3.0071 0.8970 1.3550 0.7060 0.3344 0.9414 1 0.3344 0.5127 1.1684 2.5928 0.9423 0.3344 0.6739 0.3344 0.3344 0.3729 2.8367 1.3860 1.8034 0.8315 1.1649 tetradecadienoate (14:2)* Tetradecadienoic acid 0.3057 0.3838 0.5155 1.1062 0.4846 1.3098 2.1261 0.8605 0.5646 0.9469 0.4436 1.0188 1.2532 0.3371 0.4237 0.4529 0.4154 0.8809 1.4402 2.6882 2.6200 1.2893 1.3330 1.1909 3.2769 0.5054 1.1438 1.3580 0.9812 0.7852 3.2669 2.1734 0.7988 1.5024 0.5741 2.5580 thymidine Thymidine 1.1813 0.9606 1.0938 0.7606 0.9311 0.9672 0.4914 0.6028 0.8653 0.8762 0.8845 1.0504 0.6714 0.7664 0.9993 0.7959 0.9832 0.6918 1.4539 1.3385 1.2321 1.0664 1.4745 1.8169 1.3988 0.9244 1.2183 1.0007 1.1763 1.1569 0.7704 1.3512 1.0469 1.7068 0.8809 1.2856 tyrosylglycine Tyr-Gly 1.1864 1.4097 1.0200 0.6508 0.5862 0.5235 0.6992 0.6731 1.1977 0.8508 1.1594 1.2078 0.4726 0.7659 0.9976 0.8926 0.9688 0.7291 1.0024 0.9915 1.1732 0.9695 0.9768 1.0065 0.8225 1.0218 1.0151 0.8544 1.1571 0.7243 1.2178 1.2953 1.0393 1.1632 1.1885 1.1910 undecanedioate (C11-DC) Undecanedioic acid 1.0166 0.6322 1.0481 1.3002 0.3767 1.3914 0.9834 0.9498 1.1215 0.6457 0.7114 0.6271 0.6775 0.6601 0.4284 1.4406 0.4215 0.6702 1.1042 1.2460 1.4095 0.7126 0.8168 1.1287 1.5387 0.8085 1.1128 1.3627 1.0277 1.1669 0.7185 1.1589 0.9758 0.7865 1.0435 1.0915 urate Uric acid 0.4802 1.7125 0.4111 0.4184 0.3641 0.5139 0.5259 0.4168 0.2576 0.3053 0.3925 0.8024 0.4275 0.6698 0.8554 0.5876 0.2656 0.5882 1.5852 1.7544 1.4779 1.1111 1.2962 1.2115 1.7880 1.5882 1.9083 1.2725 1.6390 1.4068 1.8261 1.3411 0.9204 1.0796 1.4739 1.3266 uric acid ribonucleoside* 3-(beta-D-Ribofuranosyl)uric acid 0.3603 1.2970 0.9759 0.9038 1.2902 1.0805 0.6893 0.9804 0.7085 0.8052 1.2190 1.0784 0.7266 1.5755 0.6622 0.8873 1.2430 0.7152 1.3240 1.1642 0.8592 0.7988 1.0196 1.4269 1.7636 0.8532 1.2836 0.8261 1.1789 1.2871 0.5652 1.7701 0.6231 1.6684 0.7866 1.1297 uridine Uridine 1.1291 1.0905 1.0770 1.0245 0.9391 0.8756 0.7408 0.8442 1.0535 0.9602 1.0595 1.0972 0.8067 0.9060 1.0200 0.9514 1.0646 0.9883 1.0003 1.0859 0.9688 0.8697 1.0525 1.1965 0.9579 0.9023 0.9774 0.9322 1.0851 1.0551 0.7436 1.0170 0.9997 1.0404 1.0034 0.9511 X-11979 0.5955 0.3499 0.8184 0.7267 1.8034 1.7607 0.4397 0.9876 0.7641 0.5694 0.6231 0.5938 1.7015 1.2208 0.9629 1.1881 0.7846 1.0124 1.0134 0.8539 1.8397 1.1544 0.6700 0.6515 1.8304 0.8837 1.3823 0.8799 1.1421 1.0878 2.2348 1.4095 1.0125 1.4893 0.8398 1.3674 X-12015 0.4028 1.4388 2.3303 1.3323 1.1879 1.0320 0.3756 1.7058 1.3704 1.5713 1.1993 1.6800 1.0296 1.4069 2.0615 2.0837 0.9704 1.6270 0.1325 0.1325 0.8841 0.1325 0.3386 0.2678 0.1325 0.3747 0.2449 0.1325 0.3529 0.1325 0.6440 0.1325 0.3851 0.7220 0.3530 0.7719 X-17010 3.0869 1.1473 1.9329 0.8552 1.0199 0.7149 1.7288 0.6133 1.6328 1.1374 1.7173 1.3962 0.5309 0.4077 0.8496 0.6913 1.2140 1.6626 1.2597 1.6385 0.6881 1.3460 0.8802 1.7193 0.6570 0.5658 1.0046 0.5735 1.0984 1.0137 0.6055 0.9954 0.9093 0.7197 0.6402 0.9637 X-18059 3.3988 1.8266 1.0697 0.3965 0.5446 1.4578 0.9224 1 0.6367 0.5273 1.6073 0.6293 0.3965 0.4206 0.4514 0.6712 0.5957 0.7736 1.0982 1.3585 6.7704 29.8157 2.1786 29.4335 3.5816 0.5290 0.6944 0.7707 1.1716 8.6993 1.2914 1.9889 0.4597 0.3965 0.3965 0.6721 X-21796 1.2443 0.7125 1.2869 0.8460 0.8744 0.8107 0.8684 0.7663 1.0879 1.1647 1.2308 0.5671 0.7880 0.6530 0.7047 0.9273 1.1922 0.7279 1.0510 0.9330 1.0983 1.0768 0.8694 0.9515 0.7519 1.0998 1.4190 0.6674 1.2459 1.0051 1.1688 1.0760 1.5289 0.9949 1.0560 1.1713 X-22776 1.4703 0.6075 1.2401 0.7522 0.9364 0.7225 1.4430 0.8661 1.0934 1.0085 0.8363 0.5708 0.7106 0.7939 0.7306 0.5129 1.1949 1.0979 1.6917 1.6118 1.2146 1.3994 1.4212 0.9915 0.9514 1.0629 1.3645 0.8279 1.3190 0.9148 0.9359 0.8993 1.2514 0.7296 1.1980 1.1146 X-23974 0.0533 0.0589 0.0413 0.0797 0.0413 0.0413 0.0413 0.0707 0.0413 0.0413 0.1603 0.0665 0.0541 0.0413 0.0413 0.0630 0.0413 0.0413 1.7296 2.5081 1.7525 1.0765 0.8063 1.0809 2.3187 1.2258 1 0.8698 1.5004 1.3674 0.9966 1.3681 1.6382 1.5152 0.8575 1.3537 X-25004 1.0401 1.6035 1.9270 1.6155 0.9339 1.0254 0.2932 0.9982 1.2927 0.9877 1.2930 1.3613 0.8760 0.7643 2.1312 1.0434 1.4182 1.0081 0.5617 0.9104 1.3310 1.2410 1.0018 1.8185 0.8389 0.9335 0.9643 0.7186 1.2274 0.6568 0.7905 0.7952 0.9770 0.5789 1.2189 0.8309 X-25102 1.0880 1.6455 1.9252 1.5874 0.9805 1.1198 0.2699 0.9552 1.2255 0.9110 1.2477 1.5151 0.8490 0.7676 2.0208 1.0717 1.3852 0.9201 0.5565 1.0230 1.3304 1.2627 0.9627 1.7990 0.8742 0.9401 1.0155 0.7387 1.1024 0.6995 0.7727 0.8468 0.9845 0.5792 1.1511 0.8845 X-25921 2.0561 2.2701 1.6079 0.7632 0.5568 0.6153 0.5534 0.6152 1.7870 1.0738 1.5507 1.9339 0.4150 0.9185 1.2020 0.9487 1.7225 1.0630 0.9362 1.0056 1.2968 0.8532 0.7253 1.0111 0.9542 0.7971 0.9944 0.7271 1.1342 0.9213 0.8459 1.1154 1.0133 1.3492 1.2271 0.9881 X-25940 1.7916 2.1119 1.4191 0.7079 1.1043 1.0159 0.8635 0.7671 1.7352 1.2016 2.0543 1.6217 0.6159 0.9574 0.8154 1.3070 1.7832 1.1943 1.1778 0.6906 0.9102 0.9042 1.0120 1.0199 0.9383 0.8601 0.9274 0.6247 0.8626 0.6755 0.9880 1.2068 1.1163 1.5003 0.9490 0.8159 X-25984 3.4346 2.1787 0.5321 0.5228 0.3183 0.1202 0.2412 0.3778 0.9875 0.5103 0.7180 0.9758 0.3440 0.3686 0.4383 0.4976 0.4837 0.4718 0.9537 1.5039 1.0195 1.4407 1.8868 3.4886 1.0125 1.5193 2.3839 1.3525 1.8350 2.0944 0.1848 1.6440 3.2753 1.8541 2.9144 1.0961 X-26127 1.8271 1.6802 1.3935 1.0744 1.5486 1.5032 2.0404 1.3173 1.7259 1.4812 1.8471 1.5159 1.1088 1.4112 0.9445 1.5261 1.5200 1.6917 0.7860 0.6517 0.7333 0.6825 0.9150 0.8792 0.6948 0.7837 0.7295 0.7233 0.7813 0.6810 0.7822 0.8380 0.9359 1.0555 0.7800 0.7549 xanthine Xanthine 0.9725 1.2118 0.9992 0.9822 1.0008 1.0861 0.8177 0.8470 0.9383 0.8355 1.0367 1.0926 0.9264 0.8780 1.0758 1.0408 0.8753 0.7042 1.0234 0.9083 0.8727 1.1337 1.0310 0.9463 1.0751 1.0804 1.1725 0.8610 1.1077 0.9970 1.1046 1.0896 1.1802 1.1379 0.9317 0.9815 xanthosine Xanthosine 0.8790 1.0905 0.9729 1.1557 1.0718 1.2053 0.6648 0.9811 0.9535 0.6656 0.6682 0.9687 0.9568 1.0402 1.4303 1.3364 0.7062 0.7218 1.0045 1.0765 0.8613 1.4898 0.9746 0.8790 1.2931 1.2215 0.9955 0.9584 1.3840 1.4210 1.1280 1.2768 1.3311 1.2836 0.9247 0.9368