Metabolite_name RefMet_name CD_0hr_2 CD_0hr_3 CD_0hr_4 CD_0hr_5 CD_0hr_6 CD_0hr_7 CD_0hr_8 CD_12hr_1 CD_12hr_2 CD_12hr_3 CD_12hr_4 CD_12hr_5 CD_12hr_6 CD_12hr_7 CD_12hr_8 CD_24hr_1 CD_24hr_2 CD_24hr_3 CD_24hr_4 CD_24hr_5 CD_24hr_6 CD_24hr_7 CD_24hr_8 CD_30hr_1 CD_30hr_2 CD_30hr_3 CD_30hr_4 CD_30hr_5 CD_30hr_6 CD_30hr_7 CD_30hr_8 Factors - Hours:- Hours:- Hours:- Hours:- Hours:- Hours:- Hours:- Hours:12 Hours:12 Hours:12 Hours:12 Hours:12 Hours:12 Hours:12 Hours:12 Hours:24 Hours:24 Hours:24 Hours:24 Hours:24 Hours:24 Hours:24 Hours:24 Hours:30 Hours:30 Hours:30 Hours:30 Hours:30 Hours:30 Hours:30 Hours:30 10-heptadecenoate (17:1n7) 10Z-Heptadecenoic acid 0.5760 0.6639 0.4450 0.6849 1.6435 0.8904 0.9208 0.6653 0.5667 0.4303 0.5243 0.3081 1.0300 0.9887 0.4818 0.7908 0.5569 1.0668 1.0113 2.7227 1.1660 1.0744 0.8602 11.9729 4.9233 3.8749 4.0932 3.1917 8.5873 1.7181 8.4228 10-hydroxystearate Rosilic acid 0.1647 0.3616 0.2745 0.4097 0.3801 0.4846 0.8600 0.3591 0.3285 0.1758 0.0738 0.0515 2.2984 0.0798 0.1722 0.5837 1.1441 1.2123 2.4922 2.9056 0.8573 1.1400 1.1763 6.1262 3.9678 5.9148 6.4934 5.6850 3.9425 3.3644 1.7754 10-nonadecenoate (19:1n9) Nonadeca-10Z-enoic acid 0.8139 0.5892 0.7160 0.5892 3.0308 1.0501 0.9297 0.8543 0.7359 0.5892 0.8009 0.5892 0.5892 2.1823 0.7363 0.7970 0.7047 0.9499 1.3753 2.6725 0.5892 1.3054 0.9088 0.5892 3.0812 2.9850 2.8748 2.3788 8.4263 0.8428 7.0842 1-(1-enyl-oleoyl)-2-oleoyl-GPE (P-18:1/18:1) PE P-18:1/18:1 0.8985 1.7396 1.0818 0.4682 0.7698 0.9098 1.3649 1.1051 0.9760 0.6769 0.8100 0.6396 1.3101 0.7172 0.9308 0.8143 1.1985 0.4824 0.8516 1.0240 0.2551 1.9098 0.4936 1.3605 1.7400 3.3481 4.1089 2.0566 3.2902 1.4296 3.7305 1-(1-enyl-oleoyl)-GPE (P-18:1) LPE P-18:1 or LPE O-18:2 0.6800 1.0295 0.9705 0.4762 0.3759 1.4531 1.8992 0.2493 0.3053 0.3055 0.2827 0.1505 3.9912 0.3335 0.2269 0.8465 0.8924 0.6243 1.3844 10.6093 0.5634 1.5723 0.5812 20.1761 3.5455 21.9741 17.8724 13.4668 31.5361 5.8877 20.0418 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4) PC P-16:0/20:4 or PC O-16:1/20:4 0.1543 1.1617 0.8874 0.1543 0.6029 0.8274 1 0.1543 0.6772 0.4172 0.1543 0.1543 0.7191 0.1543 0.1543 0.1543 0.4307 0.2838 0.1543 1.8649 0.1543 4.0824 0.1874 1.0002 1.8793 4.6204 3.9525 3.7029 7.6854 1.2373 6.7081 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4) PE P-16:0/20:4 or PE O-16:1/20:4 1 1.9654 0.8622 0.8143 0.8787 1 1.4112 0.8953 0.7973 0.8194 0.7179 0.5812 1.2538 1.0295 0.6595 0.6459 1.0514 0.4147 0.7511 1.4950 0.4242 4.3021 0.4333 1.3914 2.1133 4.2754 3.9524 3.3743 6.6587 1.5528 4.6828 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2) PC P-16:0/18:2 or PC O-16:1/18:2 0.7375 1.7248 1.0754 0.7528 0.6222 0.9227 1 0.5211 0.6650 0.4799 0.4391 0.2653 1.0461 0.4910 0.2653 0.2653 0.8397 0.3734 0.6312 2.2543 0.2653 5.8320 0.3613 2.1395 2.8471 7.4728 5.9169 4.8376 15.5911 1.8934 10.9291 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2) PE P-16:0/18:2 or PE O-16:1/18:2 0.9296 2.3564 0.9240 0.9292 0.9566 0.9580 1.4646 1.1901 0.8730 1.0420 0.9133 0.7464 1.0694 0.8108 0.9103 0.6800 1.3053 0.4510 0.8244 1.4426 0.5782 3.1383 0.5699 1.2267 2.6329 4.5269 4.2956 3.4694 9.1113 1.7086 5.7550 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1) PC P-16:0/18:1 or PC O-16:1/18:1 0.9479 1.7948 1.3683 0.7114 0.5492 1.0157 1.2097 0.7719 0.9363 0.8020 0.4346 0.3222 1.2022 0.5192 0.6128 0.7122 0.9809 0.4912 0.9843 2.3837 0.2613 3.6630 0.5010 2.4840 2.5756 8.3338 7.0761 5.2398 13.3562 2.1413 11.8617 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1) PE P-16:0/18:1 or PE O-16:1/18:1 0.9046 1.7756 1.0374 0.7316 0.6987 0.9582 1.2840 1.0948 0.8981 0.9626 0.8160 0.6724 1.1549 0.6673 0.7053 0.8342 1.1286 0.4959 0.8397 1.2434 0.3537 1.9123 0.4983 1.3946 1.9799 3.9938 3.8998 2.9396 5.0450 1.3867 4.0137 1-(1-enyl-palmitoyl)-GPC (P-16:0) LPC P-16:0 or LPC O-16:1 0.1737 0.1737 0.2407 0.1737 0.1737 0.1737 0.2228 0.1737 0.1737 0.1737 0.1737 0.1737 0.3587 0.1737 0.1737 0.1737 0.1737 0.2393 0.3543 1.1209 0.1737 0.4843 0.2559 1 1.0928 2.1978 1.7633 1.8946 3.2469 1.0652 2.9951 1-(1-enyl-palmitoyl)-GPE (P-16:0) LPE P-16:0 or LPE O-16:1 0.7271 1.1229 0.6695 0.4559 0.5164 1.0589 1.0248 0.3342 0.5394 0.2984 0.2866 0.1880 1.4405 0.2123 0.2366 0.6671 0.8763 0.9752 1.3021 3.5615 0.6420 1.5359 0.7740 4.3117 2.7241 5.5013 4.8966 5.0837 7.8956 3.0596 6.1261 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4) PE P-18:0/20:4 or PE O-18:1/20:4 1.0147 2.1337 0.9532 0.9297 1.0338 0.9603 1.4331 0.9803 0.8388 0.8050 0.8055 0.5905 1.2281 0.9853 0.7294 0.7000 1.1287 0.4305 0.8475 1.5251 0.4873 4.8907 0.5023 1.6181 2.4951 5.2163 4.7344 3.7745 8.7770 1.7454 5.4879 1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2) PE P-18:0/18:2 or PE O-18:1/18:2 0.7805 2.3774 0.9558 1.3430 0.6617 0.6460 1.2575 0.9633 0.6979 1.2049 0.7897 0.8201 1.0367 0.6743 0.5184 0.8819 1.3257 0.3862 0.7095 1.3936 0.7058 3.1561 0.5582 1.1706 2.7784 5.5657 4.2439 4.1121 11.9968 1.5786 4.9496 1-(1-enyl-stearoyl)-GPE (P-18:0) LPE P-18:0 or LPE O-18:1 0.7668 1.2020 0.8586 0.5959 0.5420 1.0213 0.9912 0.4862 0.7549 0.4560 0.3960 0.2510 1.6155 0.2461 0.3515 0.7402 1.0088 0.9202 1.3631 3.0422 0.7372 1.4571 0.8529 4.6898 2.7012 5.5284 4.8764 4.7700 7.6887 2.8156 5.7276 12_13-DiHOME 12,13-DiHOME 0.6711 0.5427 0.6312 0.7790 0.9047 0.7964 1.5762 0.7930 0.9859 0.8600 0.8645 0.6039 1.3003 0.7427 0.9648 0.9572 0.7845 1.0876 1.6662 1.5077 1.0141 1.6253 1.9762 4.2246 1.2649 2.0138 0.9256 1.0241 4.5537 1.6625 5.7172 1_2-dilinoleoyl-digalactosylglycerol (18:2/18:2) DGDG 18:2/18:2 0.8923 0.2795 1.4140 1.0775 1.0493 1.5684 0.6464 1.1712 1.3447 1.1163 0.4379 0.2795 0.4656 0.9099 0.8271 0.5184 1.2901 1.6669 1.2308 0.6038 1.3858 0.5837 1.2063 0.9507 0.4655 0.2795 0.2795 0.5610 0.2795 1.2136 0.2795 1_2-dilinoleoyl-GPC (18:2/18:2) PC 18:2/18:2 0.9781 1.0517 0.9499 0.7565 0.8746 0.8199 1.0749 0.9851 0.8039 0.7029 1.0149 0.5524 0.6759 1.2944 1.3523 1.1432 1.8505 1.8517 1.0503 0.6768 0.5418 2.3934 0.8315 0.4534 1.1020 2.0646 1.6039 1.3489 4.7998 0.6423 3.5765 1_2-dilinoleoyl-GPE (18:2/18:2) PE 18:2/18:2 0.8914 1.2270 0.7784 0.8747 1.0570 0.8305 1.0463 1.2864 0.8562 1.0056 1.1106 0.6008 0.7204 1.9476 1.2629 1.1720 1.5845 0.9838 0.8218 0.5687 0.6757 2.6407 0.5832 0.4660 1.0261 1.7907 1.1767 0.9944 3.2658 0.3599 3.3869 1_2-dipalmitoyl-GPC (16:0/16:0) PC 16:0/16:0 0.9306 1.4132 0.7032 0.6288 1.2602 1.2615 1.8290 0.7983 0.7314 0.8013 0.6211 0.4952 0.7842 1.5077 0.6659 1.2086 1.0376 0.6331 0.5492 0.9624 0.7826 9.4032 0.4604 2.0370 1.6816 2.4980 2.2537 1.7793 6.1008 1.5454 6.0605 1_2-distearoyl-GPC (18:0/18:0) PC 18:0/18:0 0.7428 1.0824 1.0091 0.5964 0.6535 0.7836 0.7856 0.8301 0.7676 0.9071 0.7133 0.5964 1.1385 0.5964 0.7389 0.8523 0.5964 0.5964 0.8639 0.9909 0.5964 1.0576 0.5964 2.2936 1.3081 2.7505 2.9067 2.1491 3.3013 1.2213 4.3648 12-HETE 12-HETE 0.6986 0.1468 0.5011 0.4270 0.5678 0.9612 1 0.2104 0.3747 0.1468 0.1537 0.1468 1.9416 0.4326 0.1468 0.9018 0.8852 1.3714 1.1797 1.9732 0.7461 1.1696 0.6062 1.5495 1.6610 4.3412 2.5039 3.0279 4.4776 1.9419 1.6653 1-(3-aminopropyl)-2-pyrrolidone 1.6148 2.3150 1.3949 0.7245 0.6996 1.7889 1.6600 1.4744 1.5019 1.0994 1.0904 0.9613 1.4678 0.4047 1.0299 0.9130 1.0220 2.5318 0.8172 0.6890 0.5695 0.7145 1.2504 1.0049 0.7363 0.2628 0.3519 0.6512 0.2244 1.0688 0.0500 13-HODE + 9-HODE HODE 1.2035 0.6488 0.9407 0.2457 1.9501 1.0561 2.4041 1.0033 0.9967 1.0537 1.3734 0.8365 0.3143 1.2922 0.9683 0.4283 0.3204 0.5353 1.0662 0.5109 1.1432 1.6126 0.1952 0.9176 1.0505 1.1405 0.9197 0.6781 5.7140 0.5458 6.3980 13-methylmyristate Isopentadecylic acid 1.0311 1.2629 1.0419 0.8562 0.9583 0.8710 0.7293 1.1447 1.1053 0.4755 0.6012 0.5580 28.3942 0.8640 0.5880 23.5177 0.7065 0.6600 0.9689 1.5741 0.9326 0.7966 0.6353 705.8217 1.5689 1.0579 1.4251 1.7510 1.7271 0.7589 1.7471 1_5-anhydroglucitol (1_5-AG) 1,5-Anhydrosorbitol 0.5833 0.7899 0.4904 0.5556 0.4997 0.7397 0.6620 0.7548 0.7611 0.8820 0.4495 0.7830 1.2742 0.3652 0.5227 1.2881 1.1101 0.9004 1.2910 2.5662 0.9741 1.0259 1.1254 3.1258 4.4444 6.6133 7.1669 6.8532 3.1695 2.0010 1.6063 15-methylpalmitate 15-Methylpalmitic acid 0.7125 0.8483 0.6797 0.9354 1.2534 0.9835 0.7713 0.7614 0.8016 0.6701 0.8658 0.6134 1.3534 1.1646 0.7141 1.0952 0.8535 0.9293 1.0180 1.6458 1.0165 0.8623 0.9616 11.5713 2.0064 1.5379 1.7007 1.5657 2.4550 1.1995 2.4718 17-methylstearate Xi-17-Methyloctadecanoic acid 0.6714 0.9542 0.9118 0.8938 1.6034 1.1543 0.7247 0.7433 0.7860 0.5520 0.7996 0.3651 0.9774 1.2275 0.3651 0.8958 0.7556 0.6472 1 2.8466 1.0157 1.2900 0.9012 3.5740 2.1408 1.6714 2.4147 2.3521 4.3382 1.7499 3.1262 1-arachidonylglycerol (20:4) MG 20:4 0.2445 0.9766 0.2445 0.2445 1.0717 0.3532 0.6818 1 0.4051 0.2445 0.2445 0.2445 0.7277 0.4964 0.3988 0.3565 0.2650 0.2445 0.7072 1.1973 0.2445 2.9657 0.2445 1.1428 2.2606 3.4694 4.0857 2.1135 7.5741 1.1484 5.6714 1-dihomo-linolenylglycerol (20:3) MG 20:3/0:0/0:0 0.5201 1.3470 0.8623 0.9523 1.9851 0.6277 1 0.9694 0.6555 0.4363 0.3494 0.1749 1.5737 0.7365 0.1749 0.6108 0.8290 0.3064 1.2471 1.3398 0.1749 2.0283 0.3260 1.2136 2.8386 4.1660 2.5847 3.1166 11.1290 1.6910 4.8319 1-docosahexaenoylglycerol (22:6) MG 22:6 0.4727 1 0.6698 0.8881 1.0985 0.8402 0.8061 1.0105 0.5194 0.4927 0.4226 0.2301 1.0651 0.8460 0.4588 1.2025 0.5556 0.4900 1.0645 1.9375 0.7330 2.0371 0.7434 1.7329 3.4762 2.6570 2.7412 2.0099 6.3598 1.6838 4.3295 1-eicosapentaenoylglycerol (20:5) MG 20:5 0.3319 0.3319 0.3319 0.3319 0.6700 0.4847 0.4765 0.3319 0.3319 0.3319 0.3319 0.3319 0.9253 0.3319 0.3874 0.8907 0.3319 0.3319 0.9040 2.0367 0.3319 1.5194 0.3319 0.3319 3.6721 4.2468 4.5031 2.8434 12.9931 1 7.3006 1H-quinolin-2-one 2-Hydroxyquinoline 0.3596 0.6764 0.5990 0.7205 0.6420 0.8279 1.0012 0.4747 0.5705 0.4708 0.4831 0.7869 0.7195 0.5216 0.4730 1.1877 5.1103 6.5031 9.8547 1.8588 7.3273 7.5162 8.8489 2.0400 1.7511 1.6881 1.8558 1.9165 0.9988 1.4390 0.4713 1-kestose 1-Kestose 2.0729 1.3712 1.0692 2.4638 0.9126 0.9494 1.8646 1.5918 1.5802 2.0463 1.8211 1.2607 0.9033 1.2051 1.5979 0.9383 0.9806 0.9292 1.2230 0.5392 0.8527 1.0194 2.6136 0.1040 0.4290 0.2866 0.2908 0.3470 0.1532 0.7659 0.1040 1-lignoceroyl-GPC (24:0) LPC 24:0/0:0 0.6460 0.4912 0.8543 0.7460 0.7994 0.7986 0.7804 1.1653 0.6190 0.9195 0.5175 0.4577 0.7027 0.8419 1.0487 1.3163 0.8619 1.5200 1.0636 1.4295 0.8708 1.8515 0.9513 1.8002 2.0138 3.3427 2.2312 2.8084 5.2266 2.3708 5.1761 1-linolenoylglycerol (18:3) MG 18:3 0.2566 0.8386 0.7402 0.9731 1.8305 0.9718 0.4819 1.1641 0.7675 0.2566 0.6564 0.2566 0.6702 0.8247 0.5158 1.0721 0.6609 0.7464 2.6464 1.6650 1.0269 2.0417 0.8731 0.2566 2.8619 2.0538 2.6994 2.2621 11.9868 1.3086 2.9183 1-linolenoyl-GPC (18:3) LPC 18:3 1.0169 0.9831 0.8369 0.7297 1.3353 1.0875 1.2766 0.5001 0.6100 0.3123 0.4778 0.2911 0.6130 0.7209 0.5283 0.6634 0.9675 1.4916 0.9486 2.6412 0.4560 2.6147 0.5868 1.5782 2.9910 5.0107 3.7175 2.9571 7.6286 2.1693 6.8513 1-linoleoylglycerol (18:2) MG 18:2 0.4859 0.7141 1.0152 0.6903 1.4875 0.8179 0.6504 1.1936 0.8821 0.4579 0.5006 0.3134 0.8379 1.2195 0.8434 1.0654 0.8230 1.0999 2.2760 1.3857 1.4791 1.4651 0.6620 0.3150 2.4556 1.6656 2.0337 1.3814 8.2207 0.9848 2.2678 1-linoleoyl-GPC (18:2) LPC 18:2/0:0 0.9315 0.3749 1.0553 0.7367 1.1469 0.3963 1.1230 0.4654 0.5547 0.3908 0.5142 0.3500 0.1934 0.5684 0.9550 1.0810 1.9402 4.4852 1.4637 1.5083 0.2973 1.6301 1.4796 0.8698 1.2620 2.1521 1.3352 1.0450 4.8362 0.6886 4.3615 1-linoleoyl-GPE (18:2) LPE 18:2/0:0 0.9047 0.4173 0.9799 0.7348 0.8988 0.5764 0.9661 0.5345 0.6782 0.4774 0.3481 0.3481 0.4856 0.6859 1 1.1976 1.4256 3.4119 1.2927 1.5484 0.6966 1.5940 1.7203 1.0069 1.2226 2.4126 1.6325 1.2683 4.5995 1.2890 4.3860 1-linoleoyl-GPG (18:2) LPG 18:2/0:0 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 0.3505 1 0.3505 0.3505 0.3505 0.3505 0.3505 1.8572 0.8074 0.6809 6.0939 0.3505 2.5848 1-methyladenine 1-Methyladenine 0.8414 0.8904 0.9264 1.1062 0.9192 0.9391 0.9752 1.0621 1.0248 1.1427 1.0795 1.2203 1.0446 1.0431 1.1044 1.2058 1.1097 1.4177 1.2718 0.8264 1.1744 1.2301 1.1770 0.7830 0.6597 0.4870 0.4978 0.6484 0.3915 0.9241 0.1414 1-methylguanidine Methylguanidine 0.9840 0.7894 0.8729 1.0914 0.9587 1.1796 0.9174 1.1733 0.8528 1.1133 1.1951 1.1050 1.0160 1.1896 0.9096 1.1861 0.9142 1.7122 1.4407 0.9336 1.5276 1.3811 1.5528 1.0567 0.6409 0.4843 0.7659 0.8480 0.3250 0.8420 0.2742 1-methylguanine 1-Methylguanine 0.9995 0.7843 1.1273 1.4155 0.8904 0.9937 0.7414 1.3203 1.5528 1.7181 1.2407 1.7501 0.6825 1.3466 1.4697 1.0005 0.9124 1.1496 1.0730 0.5475 1.0421 1.0341 1.2465 0.3457 0.2707 0.1151 0.1612 0.2184 0.1151 0.4915 0.1151 1-methylhistidine 1-Methylhistidine 0.6802 1.0663 0.6056 0.7408 0.7449 1.2943 1.8532 0.5905 0.2591 0.3231 0.6509 0.4628 0.8822 0.2464 0.3561 0.5379 0.6286 0.8172 1.0606 2.0462 1.0823 1.7498 0.9394 1.8924 3.7912 6.0825 5.7926 6.1529 5.5603 2.3905 1.8029 1-methylimidazoleacetate Methylimidazoleacetic acid 0.7762 1.0735 0.7472 1.0040 0.9759 1.0262 1.4830 1.1759 0.9652 0.7578 0.7461 0.9210 1.2903 0.6031 0.7235 1.0693 1.0663 2.0031 1.6137 0.6636 1.0441 0.9990 1.7082 2.6111 0.7757 0.8609 1.0010 0.8172 0.4997 1.1094 0.4743 1-methylnicotinamide 1-Methyl nicotinamide 2.5376 4.5208 0.7835 1 0.8667 0.6489 2.4617 2.0090 1.0826 0.5460 1.4130 1.9476 2.2146 0.5461 0.5044 2.3396 2.0084 2.1270 1.2275 0.3556 0.7243 1.1404 2.1596 1.3286 0.6541 0.7426 0.9526 0.3047 0.2999 0.5166 0.4701 1-myristoylglycerol (14:0) MG 16:3 0.5052 0.6854 0.9585 0.8024 1.0539 0.7869 0.6381 1.0030 0.6715 0.6588 0.5200 0.6769 1.0187 1.1318 0.7033 0.9970 0.9291 0.9283 1.6271 2.6636 1.2971 1.1599 1.1596 3.6842 2.7900 2.5463 1.8438 1.2797 6.7229 0.9907 2.9245 1-oleoyl-2-linoleoyl-GPC (18:1/18:2) PC 18:1_18:2 1.2236 2.1928 0.8343 0.8534 1.3079 0.9436 1.4104 0.8625 0.7565 0.6887 0.8661 0.5295 0.8698 0.8968 0.9512 1.0306 1.3971 0.9193 0.9965 1.0202 0.4704 3.7280 0.8651 1.0035 1.6300 3.0774 2.9565 2.1447 4.7726 1.1157 4.0912 1-oleoyl-2-linoleoyl-GPE (18:1/18:2) PE 18:1/18:2 1.0224 2.1325 0.8514 1.1738 1.0820 0.9776 1.3591 1.0855 0.7617 0.8433 0.7906 0.6137 0.9280 1.1803 0.8069 1.1672 1.2528 0.5177 0.6577 0.8048 0.7084 3.2286 0.4845 0.8708 1.4626 2.5801 2.2657 1.5966 3.9993 0.7027 3.2846 1-oleoylglycerol (18:1) MG 18:1/0:0/0:0 0.8388 0.8272 0.8250 0.6991 1.8093 1.0052 0.7637 5.1359 0.7871 0.7370 0.5323 0.3500 1.6418 1.2641 0.6505 0.8962 0.8212 0.9948 1.5773 1.4146 1.1937 1.5008 0.6094 0.3833 2.5512 1.8947 2.1673 1.7372 6.7597 1.8178 2.7548 1-oleoyl-GPC (18:1) LPC 18:1/0:0 0.9726 0.8812 0.8495 0.7071 1.3936 0.8471 1.2208 0.3725 0.6053 0.3856 0.4423 0.2114 0.3568 0.5186 0.7031 0.9716 1.1535 2.4303 1.1772 2.3225 0.3226 2.5140 1.0274 2.1918 2.2846 5.2630 3.5381 1.9670 10.0493 1.8335 8.4999 1-oleoyl-GPE (18:1) LPE 18:1/0:0 0.7228 0.9361 0.8868 0.6650 1.1605 1.0639 1.6303 0.4446 0.3951 0.7536 0.6154 0.4229 1.4140 0.7803 0.5683 1.3319 0.7522 0.6311 0.6708 4.0030 0.4373 1.6474 0.5760 3.2692 2.7580 12.5695 7.5113 5.9682 19.7928 1.9767 12.2010 1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2) PC 16:1/18:2 1.0837 3.6439 0.5235 0.9163 1.2038 1.1660 2.6679 0.9089 0.5050 0.1195 0.5716 0.2841 0.4989 0.7544 0.4516 0.6170 1.9312 0.4552 0.6241 1.5044 0.2569 6.6044 0.5788 1.2531 3.6669 6.0231 5.4477 3.7737 11.5340 1.7833 11.9754 1-palmitoleoyl-GPC (16:1) LPC 16:1/0:0 0.1669 0.2272 0.1669 0.1669 0.1669 0.1669 0.5059 0.1669 0.1669 0.1669 0.1669 0.1669 0.1669 0.1669 0.1669 0.1669 0.1669 0.2704 0.1669 1.2837 0.1669 0.5806 0.1669 1.4021 1.0609 2.4995 1.8719 0.9391 4.9130 0.8478 6.1755 1-palmitoyl-2-alpha-linolenoyl-GPC (16:0/18:3n3) PC 16:0_18:3 0.8424 1.9439 0.6483 0.9782 0.8294 1.0440 1.7157 0.8910 0.5058 0.6484 0.6737 0.3698 0.7957 1.0191 0.8102 0.8407 1.6385 0.9809 1.1825 1.9094 0.8363 4.6657 0.6955 1.0451 2.9265 4.8430 4.2115 4.1866 9.2484 1.4212 6.1525 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4) PC 16:0_20:4 0.9432 1.8528 0.7854 0.8133 1.0568 1.0758 1.7625 0.9079 0.7506 0.5762 0.5614 0.3728 0.9004 1.2165 0.6079 0.7622 1.1284 0.4320 0.7057 1.1834 0.5005 8.5697 0.4944 1.3239 2.2225 3.1935 3.2464 2.8442 6.1306 1.4111 5.4733 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4) PE 16:0/20:4 1.0126 2.2249 0.7176 0.9229 1.0768 0.9874 1.9023 0.9169 0.6410 0.7341 0.7466 0.6577 0.9821 1.3283 0.8305 1.4793 1.2480 0.3591 0.6400 0.9079 0.7161 5.7410 0.4996 1.1785 2.0325 3.3113 3.1235 2.1011 6.2581 0.9511 4.8558 1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0/18:2) DGDG 16:0_18:2 0.6664 0.6795 1.2487 1.1067 1.0600 1.2875 0.8555 0.9278 1.2141 1.0112 0.4988 0.6128 1.0202 0.9186 0.9746 0.9206 1.9627 2.0832 1.8102 0.9465 2.1042 1.5703 2.2248 2.0106 0.9888 0.6594 0.8653 1.0927 0.2184 1.2309 0.2330 1-palmitoyl-2-linoleoyl-galactosylglycerol (16:0/18:2) MGDG 16:0_18:2 0.3673 0.7013 0.5554 0.6751 0.5357 0.5656 0.9559 0.6428 0.7156 0.5827 0.3559 0.3587 0.4772 0.4640 0.5268 1.0107 1.3202 1.8413 1.3671 0.9893 1.9302 1.9034 1.8849 2.1033 1.4574 1.7525 2.0088 1.8507 2.5804 1.1770 1.2457 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) PC 16:0/18:2 0.9154 2.2770 0.8525 0.9407 1.0593 1.1329 1.6196 0.8513 0.7831 0.7325 0.6474 0.3916 1.0804 0.8725 0.7262 0.8902 1.3265 0.5839 0.7364 1.5711 0.5889 4.2428 0.5583 1.3400 2.3914 3.7438 3.6741 3.1010 6.6789 1.5346 4.8509 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) PE 16:0/18:2 0.8282 1.6784 0.8011 0.9176 0.9918 0.9014 1.2468 1.0082 0.7041 0.8905 0.8044 0.5628 1.2818 1.1409 0.8626 3.3768 1.1493 0.5874 0.7185 0.9043 0.7364 2.4009 0.5365 2.1297 1.8082 2.7611 2.2793 1.6977 4.9181 0.7872 4.3969 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) PC 16:0/18:1 0.8669 2.3665 0.6952 0.6123 0.7435 0.9606 1.9589 0.7648 0.6369 0.6401 0.6285 0.4175 1.1601 0.8237 0.6937 1.0394 1.7463 0.4746 0.8744 1.9412 0.4159 3.5849 0.6493 2.5720 2.8411 6.0958 5.2384 3.5873 9.3754 1.7821 9.1789 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) PE 16:0/18:1 0.8540 2.1776 0.6525 0.7691 0.7410 0.8742 1.9522 0.8873 0.3768 0.7400 0.8110 0.5826 0.7910 1 0.6789 1.8435 1.5781 0.3768 0.8862 1.2982 0.5473 2.9387 0.6699 2.3160 2.7149 5.6444 4.8162 2.7044 9.7205 1.2283 9.3651 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1) PC 16:0/16:1 0.8107 2.6495 0.5016 0.5089 0.7018 1.0454 2.6272 0.7452 0.5208 0.5539 0.6551 0.3736 0.8713 0.8975 0.5830 1.0457 2.1746 0.4803 0.9546 2.0224 0.4323 6.0450 0.7461 2.6394 3.5289 7.4012 6.5411 3.7453 11.7653 1.7103 15.1563 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) PC 16:0/18:0 0.8458 1.6006 0.6898 0.8058 1.1443 1.4370 1.6100 0.8315 0.7156 0.7267 0.4896 0.3838 1 1.1565 0.6333 1.1246 0.9340 0.5267 0.7239 1.1343 0.8326 7.2255 0.4033 2.9427 0.3838 4.0790 3.7387 2.3736 9.6830 2.0514 9.8701 1-palmitoylglycerol (16:0) MG 16:0/0:0/0:0 0.5910 0.7796 0.8947 1.2209 1.4585 0.8090 0.8211 0.8678 0.6740 0.4768 0.6663 0.3941 1.3587 1.0209 0.6213 0.8330 0.9995 0.9302 1.2707 1.9914 0.8757 1.4033 0.6355 2.0405 3.0100 3.1911 1.9367 1.7923 7.7248 1.5096 2.9700 1-palmitoyl-GPA (16:0) LPA 16:0/0:0 0.3401 1.4970 0.3401 0.4974 0.4617 0.3401 0.4925 0.3401 0.3401 0.4038 0.3671 0.3401 0.7480 0.3911 0.3401 0.5153 0.3401 0.3401 0.3401 1.5547 0.3401 0.4784 0.5572 3.5796 1.5603 3.4811 1.2520 3.2195 6.4341 2.4123 2.8115 1-palmitoyl-GPC (16:0) LPC 16:0/0:0 0.9570 0.9753 0.7327 0.6687 1.1828 1.0689 1.2291 0.3613 0.4779 0.3304 0.3364 0.2076 0.4771 0.5796 0.5271 0.8409 1.0494 1.4318 0.8268 2.8163 0.4062 2.6018 0.5572 2.0483 3.1288 5.4430 4.4136 3.1400 12.1694 2.5432 10.7405 1-palmitoyl-GPE (16:0) LPE 16:0/0:0 0.8572 0.8712 0.5692 0.6726 1.0472 0.9408 1.1276 0.4226 0.5568 0.3599 0.3721 0.2142 0.8162 0.6957 0.5746 1.8197 1.1659 1.5581 0.9528 2.3167 0.4784 2.1679 0.7014 8.3930 1.8623 3.7426 2.4017 1.7237 7.9873 1.5285 8.8200 1-palmitoyl-GPG (16:0) LPG 16:0/0:0 0.1925 0.1925 0.2703 0.1925 0.1925 0.1925 0.3183 0.1925 0.1925 0.1925 0.1925 0.1925 0.1925 0.1925 0.1925 0.3484 0.3298 0.4251 0.1925 2.7008 0.1925 0.6891 0.3046 2.5575 1.0573 5.9072 2.6150 2.1446 12.6605 0.9427 6.4680 1-palmitoyl-GPI (16:0) LPI 16:0/0:0 0.5078 0.2477 0.9417 1.0260 1.0275 1.0045 1.4139 0.2155 0.1601 0.3964 0.3021 0.2531 0.7422 0.9955 0.4797 1.5507 0.7959 1.9535 0.8498 3.3200 0.4025 0.9388 0.5431 2.3402 2.0628 7.5159 2.8144 3.9803 18.0615 1.9268 6.7681 1-palmitoyl-GPS (16:0) LPS 16:0/0:0 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 0.2688 1.1271 0.2688 0.4681 3.6171 0.2688 1.0129 1-pentadecanoylglycerol (15:0) MG 15:0 0.5040 1.1749 0.8196 0.7939 1.0377 0.7042 0.8348 0.7652 0.6066 0.4590 0.6863 0.7971 8.7814 0.6857 0.5752 8.5330 0.4590 1 1.0126 1.4107 0.7879 0.9312 0.7400 78.0080 1.6922 1.9441 1.6983 1.0774 3.3334 1.1763 2.4976 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) PC 18:0/20:4 1.0953 1.8330 0.8350 0.8891 1.0653 1.0749 1.4455 0.8409 0.7430 0.6169 0.4725 0.3480 1.0886 0.9762 0.5667 0.7517 0.8396 0.3291 0.5888 1.0238 0.5514 8.5738 0.4403 1.4681 2.2807 3.5183 3.2471 2.7037 6.2282 1.3206 4.5554 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) PE 18:0/20:4 1.1322 1.7652 0.8812 1.2347 1.2879 1.0602 1.3711 1.0526 0.8472 0.9164 0.7972 0.7062 0.9199 1.2087 0.7742 1.0459 0.9541 0.4274 0.7079 0.7866 0.7145 4.9031 0.5718 0.8524 1.2938 2.1215 2.0889 1.7010 3.6680 0.7353 2.1489 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) PI 18:0/20:4 1.1314 1.4715 0.6779 0.5869 0.8725 1.2371 1.2773 0.7711 0.7185 0.8929 0.5359 0.5968 1.0316 0.9684 0.7082 0.9523 0.7737 0.5359 0.7412 1.3499 0.7066 4.1861 0.5881 1.1742 1.5384 2.6145 3.5235 2.2345 4.0809 1.2002 4.5520 1-stearoyl-2-linoleoyl-GPC (18:0/18:2) PC 18:0/18:2 0.9373 1.9759 0.8745 0.9576 1.0424 1.0769 1.4088 0.7466 0.7308 0.7194 0.5477 0.3817 1.1000 0.7715 0.6505 0.9432 1.1042 0.4356 0.6965 1.3431 0.5833 3.9279 0.5342 1.5016 2.0197 3.6615 3.4090 2.6244 6.0975 1.3565 4.2181 1-stearoyl-2-linoleoyl-GPE (18:0/18:2) PE 18:0/18:2 0.9565 1.9264 0.9857 1.3308 1.2612 1.1164 1.4137 1.0143 0.8419 0.9841 0.7870 0.6528 0.9844 1.0777 0.8515 1.1084 1.1485 0.5724 0.7312 0.9178 0.8792 2.9649 0.6074 0.9225 1.4823 2.5212 2.5430 1.8511 4.5963 0.8383 2.8602 1-stearoyl-2-oleoyl-GPC (18:0/18:1) PC 18:0/18:1 0.9100 2.1016 0.8222 0.7113 0.7922 1.0189 1.8050 0.7747 0.6859 0.6740 0.5950 0.4561 1.2287 0.7170 0.6071 0.9811 1.4548 0.3994 0.9034 1.8133 0.4517 4.2757 0.6447 2.6902 2.9623 7.7004 6.3014 3.9356 12.3026 1.8403 11.4735 1-stearoyl-2-oleoyl-GPE (18:0/18:1) PE 18:0/18:1 0.9789 2.1357 0.8502 0.9098 0.8767 0.9153 1.7865 1.0211 0.6385 0.7656 0.7623 0.6178 1.0509 0.7968 0.7039 0.9062 1.2860 0.4374 0.9238 1.5184 0.5355 2.5942 0.6943 1.3350 2.1740 4.9016 4.5587 3.0396 7.6004 1.3630 4.7956 1-stearoyl-2-oleoyl-GPS (18:0/18:1) PS 18:0/18:1 0.8935 1.7132 1.1374 0.9881 0.9045 0.7765 1.2281 1.0729 1.0119 0.9683 0.9484 0.7724 1.0424 0.8575 0.9359 0.8486 1.1528 0.4990 0.8767 0.7532 0.5581 2.5134 0.5981 1.1234 1.4939 2.6160 2.7219 2.3116 4.0142 1.3297 1.3055 1-stearoyl-GPA (18:0) LPA 18:0/0:0 0.3425 1 0.5671 0.3505 0.3425 0.3425 0.3425 0.3425 0.3425 0.3425 0.5039 0.3425 0.9041 0.3425 0.3425 0.3425 0.3425 0.3425 0.3425 0.3425 0.3425 0.3425 0.3425 2.8045 0.6573 2.9309 1.1609 1.5291 5.4957 1.0863 0.8778 1-stearoyl-GPC (18:0) LPC 18:0/0:0 0.9076 1.1521 0.8037 1.0623 1.3167 1.6744 1.1822 0.4229 0.5039 0.3578 0.3047 0.1802 0.6396 0.4467 0.3300 0.8914 0.8232 0.9377 0.7044 3.3516 0.8657 2.8470 0.5035 2.3105 4.4110 7.1763 7.6529 5.2886 12.8172 4.8273 8.1965 1-stearoyl-GPE (18:0) LPE 18:0/0:0 0.9540 1.3498 0.9054 1.2898 1.2253 1.7708 1.2385 0.4077 0.4982 0.3629 0.3633 0.2225 0.7316 0.4149 0.3309 0.9363 0.7999 0.9396 0.7540 2.7495 1.0460 2.4903 0.6722 2.7015 1.5540 3.7357 3.1129 2.3487 7.9142 1.5003 6.3049 1-stearoyl-GPG (18:0) LPG 18:0/0:0 0.4238 0.4524 1.1950 0.4429 1.1756 1 0.5482 0.1836 0.6617 1.2637 0.1836 0.1836 0.2640 0.4549 0.8047 0.9883 1.6532 0.7272 0.1836 2.3869 0.5713 0.6138 0.4500 2.4110 1.1713 3.8136 2.4636 3.0935 7.2976 1.1405 2.8118 1-stearoyl-GPI (18:0) LPI 18:0/0:0 0.8388 0.6811 0.9076 0.8430 0.8064 1.3654 1.3373 0.1411 0.3195 0.7983 0.5721 0.5060 2.2294 1.0186 0.3569 1.2865 0.7894 1.0207 0.3268 2.2957 0.4249 0.9814 0.8485 5.7588 2.2817 8.6302 3.4637 5.3558 11.8077 4.0590 3.6477 1-stearoyl-GPS (18:0) LPS 18:0/0:0 0.7193 0.9657 1.0343 0.8198 0.8863 1.5438 1.5155 0.2116 0.2822 0.4500 0.5161 0.3588 2.6251 0.5925 0.3154 1.2164 0.7463 0.5861 0.4302 3.9418 0.4641 1.7402 0.7631 7.3676 2.3058 11.7675 5.0096 5.7125 23.3793 2.9412 5.0178 2_3-dihydroxyisovalerate 2,3-Dihydroxyisovaleric acid 0.3382 0.5345 0.3953 0.8871 0.4890 0.3382 0.7860 0.3382 0.3382 0.4216 0.3382 0.3382 44.9631 0.3382 0.3382 49.0986 0.8944 2.2243 1.0606 0.9394 1.3184 1.5871 2.0439 33.9175 1.3383 0.7921 0.8579 1.7450 0.6238 1.2606 0.3382 2-(4-hydroxyphenyl)propionate 4-Hydroxyphenyl-2-propionic acid 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 0.0022 2_8-quinolinediol Quinoline-2,8-diol 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2_8-quinolinediol sulfate 0.9271 0.7006 0.5419 1.0647 1.1324 0.8680 1.2962 0.9524 0.7693 1.1716 1.1310 1.3042 0.2086 1.1359 1.4742 1.0476 1.1823 1.3453 1.0731 0.4779 1.6022 1.4250 1.4554 0.0876 0.2811 0.1168 0.1463 0.1975 0.1384 0.4116 0.0876 2-aminoadipate alpha-Aminoadipic acid 0.9208 0.9956 0.9647 1.1309 0.9785 1.0140 1.1091 1.0998 1.0666 1.0810 1.0044 1.1071 1.1846 0.8745 0.9940 1.1678 1.2190 1.1651 1.1824 0.7754 1.0503 1.1294 1.0546 0.7327 0.7020 0.4951 0.5876 0.6379 0.3619 0.7900 0.1138 2-aminobutyrate 2-Aminobutyric acid 0.3195 0.2915 0.2353 0.2484 0.2253 0.2964 0.3544 0.5845 1.3611 0.3770 0.4502 0.5363 0.8797 0.3545 0.5953 1.1203 0.7811 1.5406 0.6449 5.1024 1.8687 1.5844 1.6013 1.6637 8.1732 8.6769 10.6602 7.3967 7.6577 3.7448 1.3883 2^-deoxyadenosine Deoxyadenosine 1.2753 1.4317 0.7519 0.6673 1.0669 1.6258 2.2479 1.2346 0.2411 0.9331 1.8744 0.7577 66.3422 0.3978 0.9072 270.9539 1.4610 0.2411 0.4132 0.2568 0.2828 1.5852 0.6997 246.6660 0.2411 0.3831 0.2411 0.2411 0.3542 0.2411 0.2411 2^-deoxyadenosine 5^-monophosphate dAMP 0.1051 0.1051 0.1051 0.1051 0.1051 0.1051 0.2084 0.1051 0.1051 0.1051 0.1051 0.1051 0.1051 0.1051 0.1051 1.5319 0.1051 0.1051 0.1051 0.1051 0.1051 0.4681 0.1051 2.7072 0.1051 0.1051 0.1051 0.1051 0.1051 0.1051 0.1051 2^-deoxycytidine Deoxycytidine 2.2277 5.3554 0.6039 0.5233 1.8205 3.6459 10.8178 1.0010 0.2147 0.6256 2.9621 0.3719 0.4573 0.5241 1.5586 1.6328 4.5624 1.5131 1.1737 0.8695 0.9990 4.8845 1.3654 1.8640 0.5562 0.6822 0.6588 0.7244 0.6930 0.4603 0.1634 2^-deoxycytidine 5^-monophosphate dCMP 0.0730 1.3282 0.0730 0.0730 0.0730 0.4530 2.3040 0.0730 0.0730 0.0730 0.1260 0.0730 0.0730 0.0730 0.2211 2.7487 1 0.0730 0.0730 0.0730 0.0730 2.4182 0.0730 3.7534 0.2148 0.0730 0.0730 0.0934 0.0730 0.0730 0.0730 2^-deoxyguanosine Deoxyguanosine 0.3501 2.2494 0.3501 0.3501 0.6853 1.0278 4.9407 0.3962 0.3527 0.5601 1.6513 0.6184 1.6766 0.3501 0.5089 6.1549 2.7894 0.7086 0.7002 1.6049 0.5520 1.9831 0.9722 21.0385 1.2543 0.6624 0.7398 1.4262 0.4032 1.7094 0.3501 2^-deoxyinosine Deoxyinosine 1.0445 5.1846 0.3916 0.2472 0.9492 2.2829 11.3193 0.4481 0.2472 0.3877 2.0327 0.6114 0.9771 0.3490 0.8579 8.6231 6.2524 1.7308 1.4208 0.5290 1.0392 5.8417 1.9677 21.3706 1.0229 0.9338 0.3389 0.6247 0.8070 0.3538 0.2472 2^-deoxyuridine Deoxyuridine 0.3441 0.8380 0.3441 0.3441 0.3441 0.5739 3.6447 0.3441 0.3441 0.3441 0.3865 0.3441 2.1971 0.3441 0.3441 21.0196 1.2592 0.7057 0.7243 0.3589 0.3441 2.0910 0.5455 79.0087 0.8838 2.4010 0.9247 1 3.5521 0.3441 1.5696 2-docosahexaenoylglycerol (22:6) MG 22:6 0.1980 0.9180 0.5102 0.6818 1.1049 0.5351 0.5304 1.3588 0.1980 0.6044 0.2387 0.1980 1.2708 0.4133 0.1980 0.6750 0.5354 0.1980 0.7630 1.0820 0.1980 1.8940 0.5146 2.2819 2.4822 1.6896 2.0686 1.1736 3.9641 1.1372 2.4535 2-hydroxy-3-methylvalerate 2-Hydroxy-3-methyl-pentanoic acid 0.9693 1.1767 1.0626 1.8218 1.5196 1.5976 2.6261 1.0119 1.1523 0.9881 0.9660 1.3375 0.1954 0.8912 1.2112 0.3502 1.4914 2.3606 2.1394 0.9050 3.6899 2.3916 3.2576 0.3596 0.6114 0.4959 0.4821 0.6802 0.3861 0.7256 0.0861 2-hydroxybutyrate/2-hydroxyisobutyrate 2-Hydroxybutyric acid/2-Hydroxyisobutyric acid 0.1271 0.1476 0.1271 0.1999 0.2413 0.1555 0.2871 0.3973 0.4828 0.3167 0.2725 0.4882 0.2543 0.2541 0.4265 2.6322 2.6624 4.1119 2.0935 4.5771 8.3494 3.9259 5.3595 1.8512 6.4224 5.6570 6.3671 7.8832 3.5046 4.2340 1 2-hydroxydecanoate 2-Hydroxycapric acid 0.7594 0.5605 0.5605 1.0077 1.0086 0.7020 0.8575 0.6674 0.6774 1.0359 0.5605 0.9636 0.5605 1.0046 0.5605 0.6968 0.8966 1.2792 0.7048 0.7501 0.9424 1.1093 0.9954 0.8784 1.2999 1.2638 1.2633 1.6804 1.3883 1.0722 2.7877 2-hydroxyglutarate 2-Hydroxyglutaric acid 0.1391 0.2019 0.1453 0.1263 0.5138 0.1593 0.2911 0.3480 0.2882 0.3855 0.2237 0.5037 6.3706 0.7045 0.3914 10.7859 1.3587 0.7994 2.2870 1.2006 1.9641 1.5361 1.9742 28.3415 1.8353 1.9178 2.1221 2.5464 1.6960 1.5927 0.3914 2-hydroxypalmitate 2-Hydroxypalmitic acid 0.7104 1.2068 0.5184 0.9281 1.5166 1.1045 1.0451 0.4428 0.5868 0.5593 0.4800 0.2707 1.1931 0.9549 0.4564 0.5435 0.5218 0.5717 0.8696 1.7838 1.0726 0.7584 0.9144 2.3555 1.8460 1.7161 2.4577 1.9232 2.3013 1.2080 3.6108 2-hydroxystearate 2-Hydroxystearic acid 0.7709 1.0280 0.6559 0.9228 1.0663 1.0148 0.8724 0.4841 0.7423 0.5362 0.5074 0.3342 1.3586 0.7697 0.4172 0.6788 0.7669 0.6401 1.0046 1.7141 1.0507 0.9954 0.7144 3.1758 1.6545 2.1106 2.6722 2.1053 2.9663 1.6381 3.1211 2-isopropylmalate 2-Isopropylmalic acid 0.0739 0.0739 0.0739 0.0739 0.0739 0.0739 0.0739 0.0739 0.0739 0.0739 0.0744 0.0739 26.0309 0.0739 0.0739 16.1431 0.0739 0.0739 0.1184 0.0739 0.0739 0.0739 0.0739 5.8040 0.0739 0.0739 0.0739 0.0739 0.0739 0.0739 0.0739 2-keto-3-deoxy-gluconate 2-Dehydro-3-deoxy-D-gluconic acid 1.0419 0.9612 0.8136 0.7206 0.5045 0.9630 1.0735 1.2070 0.9972 1.3209 0.6630 1.1763 16.5389 1 0.7227 7.0261 1.1171 1.1522 1.4401 0.7337 1.4109 1.4805 1.4244 2.0523 0.8026 0.2420 0.5259 0.5720 0.1797 0.9011 0.1797 2-ketogluconate 2-Dehydro-D-gluconic acid 1.1667 1.4056 1.7797 1.6784 1.1198 1.1249 1.4461 1.1265 1.1819 1.2333 1.5152 0.9578 1.6768 0.7626 1.3410 1.1505 0.8878 0.8108 0.3401 0.5896 0.6067 0.9232 1.0422 0.4533 0.6239 0.1554 0.1641 0.2861 0.0572 0.4520 0.0572 2-ketogulonate 0.8701 1.0163 1.2001 1.2312 0.8178 0.8261 1.5825 0.9837 0.7365 1.2613 0.0757 1.2229 1.4684 0.8203 0.0757 1.4598 1.4632 1.7261 0.8474 0.7425 1.0471 1.6183 1.5960 0.2637 0.7590 0.2404 0.2780 0.3823 0.0757 1.5910 0.0757 2-linoleoylglycerol (18:2) MG 18:2 0.4273 0.9405 1.2666 1.3602 1.2341 0.6258 0.5319 1.7767 1.0317 0.5173 0.5063 0.3740 2.4748 1.1082 0.8383 0.8574 0.9683 0.8905 2.8959 1.1666 0.7359 1.9207 0.8057 0.3033 2.7721 1.5444 1.5847 1.4108 9.9086 0.7029 1.3728 2-methylbutyrylcarnitine (C5) CAR 4:0;2Me 0.8889 1.0215 1.0769 0.6598 0.3635 0.7444 0.8337 0.8804 0.8471 0.8343 1 0.5961 0.1347 0.6964 0.7471 0.1347 2.1798 1.2356 2.4130 2.3739 0.9267 2.6995 1.7156 0.1947 2.8011 2.6866 3.4095 3.5684 3.9484 2.8395 2.2342 2-methylcitrate/homocitrate Homocitric acid 1.0127 0.6983 0.1863 0.9873 0.8523 0.7775 1.0432 0.8871 0.1863 0.1863 1.1568 0.1863 0.1863 1.2429 0.9542 0.1863 1.0897 1.2862 1.4096 1.2984 0.9373 1.1467 0.1863 1.9081 0.7309 1.0207 0.8694 0.7691 0.4187 1.0577 0.8394 2-myristoylglycerol (14:0) MG 0:0/14:0/0:0 0.4555 0.6871 1.0310 0.5640 0.6767 0.5559 0.4578 1.3772 0.4555 0.7005 0.4555 0.7563 1.8907 1.0115 0.7289 1.3709 1.0390 0.8917 1.9533 1.4279 0.9303 1 0.8011 13.0128 2.4068 1.6543 1.1684 0.6062 5.5830 0.6457 1.3152 2-oleoylglycerol (18:1) MG 0:0/18:1(9Z)/0:0 1.7455 0.9755 1.0301 1 2.0963 0.8921 0.6599 2.3920 0.7920 0.6758 0.3431 0.3431 8.5306 0.9741 0.8019 0.6495 0.8614 0.5750 1.8124 1.1339 0.7791 1.6803 0.3753 5.3711 3.1245 2.0965 1.5906 4.3015 6.3934 4.6360 0.9555 2-oxindole-3-acetate 2-Oxindole-3-acetate 0.9203 0.8453 0.8554 0.9850 0.8264 0.9283 1.1802 1.0172 0.9807 1.0368 1.0150 1.0538 1.1915 0.7507 1.1122 2.7253 1.0163 1.2294 1.1447 0.7628 1.3251 1.3317 1.4159 3.4545 0.5709 0.4642 0.5249 0.6443 0.2882 0.9367 0.1085 2-palmitoleoylglycerol (16:1) MG 16:1 0.5808 0.5808 0.8219 0.5808 9.3182 0.5808 0.5808 0.5808 0.5808 0.8433 0.5808 0.5808 1.0723 1.2870 0.5808 0.7570 0.8778 0.9277 0.5808 0.6208 0.5808 0.5808 0.5808 0.5808 2.0257 2.0674 1.4900 0.5808 8.7342 0.6776 2.4288 2-palmitoylglycerol (16:0) MG 0:0/16:0/0:0 0.4071 0.7273 1.1859 1.4078 1.3716 0.6452 0.7818 1.1629 0.9728 0.4621 0.9067 0.4750 2.1248 0.7945 0.6494 0.7110 1.2358 0.6927 1.4585 1.2246 0.5147 1.2318 0.4305 2.0682 2.2995 2.0989 1.0039 0.9961 6.6639 2.0616 0.9518 2-palmitoyl-GPC (16:0) LPC 0:0/16:0 0.6324 0.7045 0.2196 0.2196 0.8814 0.2196 0.9613 0.7196 0.5851 0.2196 0.2196 0.3474 0.2398 0.2196 0.2196 0.2196 0.2196 0.2196 0.2196 2.6366 0.2196 0.6904 0.2196 3.3829 1.0387 3.1069 3.7537 2.8392 6.8533 2.2094 4.5686 2-stearoyl-GPE (18:0) LPE 0:0/18:0 0.7109 0.6899 1.0788 0.9796 0.8045 1.4411 1.5720 0.2562 0.2562 0.5602 0.2562 0.2650 1.4585 0.4795 0.2562 0.7348 0.3379 0.3400 0.4426 2.5584 0.7781 1.3110 0.5650 4.6300 1.4134 5.1369 3.7578 2.9079 10.5978 1.2188 5.5877 3_4-dihydroxybenzoate Protocatechuic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3-(4-hydroxyphenyl)lactate Hydroxyphenyllactic acid 0.6253 0.8955 1.0054 1.0715 0.7752 1.0370 1.0753 0.5849 0.9035 0.7342 0.4104 1.1264 0.8451 0.9507 0.8003 1.4135 2.0834 2.1806 2.9010 1.5539 2.9759 2.4981 3.2666 0.4865 1.3171 0.8713 0.9946 1.5671 0.3853 1.7266 0.1212 3_5-dihydroxybenzoic acid 3,5-Dihydroxybenzoic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3-carboxyadipate 0.8103 1.0602 0.9101 1.1528 1.2114 1.0263 1.5330 1.7144 0.8094 1.3891 0.8125 1.1666 0.7728 1.0104 0.8819 0.8596 1.5361 1.5386 1.3271 0.7145 1 0.9228 1.6104 1.1181 0.7198 0.4900 0.7903 0.9749 0.3393 0.7546 0.3393 3-dehydrocholate 3-Dehydrocholic acid 0.9327 0.7700 0.3442 1.1482 0.6408 0.2088 4.6632 0.4439 0.5129 0.5348 0.2088 1.5771 1.0673 0.2088 0.2088 15.9474 2.9488 0.8911 1.4803 0.2088 3.8490 4.6888 8.6526 0.8407 0.2088 0.2088 0.2088 0.2088 0.2088 0.4038 0.2088 3-deoxyoctulosonate 0.9950 1.1748 1.0970 1.1841 1.1021 1.1887 1.0400 1.1719 1.0050 1.1432 1.0436 1.0304 1.4989 0.9928 1.0812 1.2179 0.3059 0.3881 0.3475 0.2048 0.0225 0.2620 0.2998 1.1436 0.1108 0.0258 0.0737 0.0616 0.0225 0.1609 0.0225 3-hydroxy-3-methylglutarate 3-Hydroxymethylglutaric acid 0.5580 0.8723 0.8007 0.5992 0.9024 0.7558 1.0306 0.7721 0.9961 0.8418 0.9083 0.9646 6.1471 1.2079 0.6155 19.6880 0.6718 0.8325 1.1631 2.1037 1.0039 1.5393 0.8317 27.6970 3.0125 3.5238 3.4342 4.2791 3.8276 2.8181 0.8281 3-hydroxybutyrate (BHBA) 3-Hydroxybutyric acid 0.4045 1.9201 0.6215 1.0903 1.8144 0.7363 1 0.3625 0.0946 0.2512 0.2112 0.0946 0.5088 0.0946 0.0946 1.8338 0.6800 0.6603 0.7764 1.3690 0.9153 1.1222 1.0330 11.5249 2.0852 4.2269 2.1748 3.8723 3.0946 1.4371 0.8627 3-hydroxydecanoate 3-Hydroxydecanoic acid 1.0556 0.7752 1.1667 0.8481 0.7198 0.9761 1.2360 0.8698 0.8107 1.1227 1.0239 1.1192 1.8785 1.1133 0.9355 2.0557 1.4951 1.4815 0.8184 0.8537 0.7126 0.6767 0.8051 1.7142 0.9027 1.2453 0.8504 0.8483 1.1982 0.8005 1.3405 3-hydroxyhexanoate 3S-Hydroxyhexanoic acid 0.6545 0.0648 0.2460 0.0648 0.0648 0.2141 0.4098 0.2142 0.0648 0.1100 0.1754 0.0648 0.0648 0.2526 0.2339 0.3629 0.9821 0.8477 2.3169 7.3482 1.2700 1.5308 1.7489 2.6959 13.1803 15.5567 12.7501 16.1582 14.8020 7.4732 8.6213 3-hydroxyisobutyrate 3-Hydroxyisobutyric acid 0.5175 0.6210 0.5119 0.8659 0.9271 0.9522 1 1.1144 0.5018 0.8488 0.8504 0.8744 0.8393 0.2053 0.2053 1.1153 1.0844 2.0753 1.4909 3.6570 2.5591 2.0757 2.6663 3.7021 1.2855 0.8210 1.5796 1.1039 0.4372 1.0766 0.2053 3-hydroxylaurate 3-Hydroxydodecanoic acid 1.0733 0.6128 1.1281 0.8931 0.7110 0.8670 1.2172 0.6651 0.8088 0.9021 0.7456 1.0183 0.5867 1.0958 0.6845 1.2925 0.9928 0.9340 0.9095 1.1179 0.8149 0.6583 1.0462 2.2797 1.4703 1.4348 1.0072 0.9576 1.4914 1.0784 3.3131 3-hydroxyoctanoate 3-Hydroxyoctanoic acid 1.4853 0.7358 0.7371 0.7500 0.6530 0.6943 1.1210 0.5665 0.6435 0.5551 0.7776 0.5551 0.7513 0.8689 0.5551 0.8548 0.8790 1.2394 0.5551 1.2406 1.2612 0.7338 0.5551 2.1136 1.9963 2.2496 1.2450 2.3109 2.2557 1.4045 2.0267 3-hydroxypalmitate 3-Hydroxyhexadecanoic acid 0.5713 0.7817 0.9146 0.8090 1.4854 0.9987 0.5562 0.8394 1.0051 0.5294 0.8174 0.4622 1.9030 1.0013 0.8540 2.4865 1.5117 0.7479 1.0574 1.9574 0.5999 0.8525 0.7905 38.9049 1.7573 1.4487 1.4556 1.7042 1.6592 0.9749 3.0569 3-hydroxypyridine sulfate 3-Hydroxypyridine sulfate 0.8428 0.4314 0.4314 0.9908 2.6593 1.0224 1.2354 0.9938 0.4314 0.4796 1.2073 0.9533 0.4314 1.5023 1 1.6841 1.4153 4.4964 0.4314 0.6360 3.8267 2.6535 3.2498 0.7440 0.4378 0.4314 0.7568 0.6105 0.8846 0.4314 1.8858 3-hydroxysebacate 3-Hydroxysebacic acid 0.9290 0.9852 1.1632 1.1799 0.8231 1.2025 1.3001 1.3080 1.2135 1.2659 0.7542 1.0539 1.2869 0.9703 0.7754 1.0006 0.9555 0.6269 1.2295 0.6920 1.0056 1.3094 1.0163 1 0.6686 0.4567 0.7573 0.7028 0.7577 0.7587 0.4567 3-ketosphinganine 3-Ketosphinganine 1.1324 1.6217 0.5204 0.5204 0.5204 0.5204 1.0711 0.6197 0.5726 0.5204 0.9383 0.5204 125.0837 0.7521 0.5204 120.9221 0.6066 0.8222 1.3165 0.5204 0.5204 0.5204 1.0617 261.5148 0.6650 0.5204 1.1963 0.9160 0.5204 0.6302 0.5204 3-methyl-2-oxobutyrate Ketoisovaleric acid 0.2872 0.5675 0.1900 0.3932 0.3460 0.5822 0.5878 0.3341 0.4756 0.2858 0.2417 0.2633 0.9563 0.1900 0.2844 1.4421 4.1749 5.6924 6.3737 1.2859 3.2661 9.0497 3.9708 2.9397 2.3336 1.9553 3.9944 1.6621 1.7318 1 0.3772 3-methyl-2-oxovalerate 3-Methyl-2-oxovaleric acid 0.1216 0.3484 0.2800 0.1900 0.1886 0.1874 0.3593 0.5211 0.2279 0.4636 0.1644 0.5871 0.0862 0.1323 0.4642 0.8717 1.6649 1.5581 3.5521 1.8561 1.1283 5.4447 2.2640 2.7310 2.4248 3.8796 2.8366 1.7727 2.1301 1.6894 1.3852 3-methylhistidine 3-Methylhistidine 0.8477 1.5991 0.6712 0.3592 0.9093 1 0.9245 0.9734 0.6022 0.4386 0.9775 0.6093 1.4640 0.3968 0.5391 0.4874 0.7413 1.5134 1.1245 1.5861 1.3089 1.5764 1.2894 0.2144 3.6370 3.8035 2.6776 3.6451 2.1584 2.3892 0.2144 3-phosphoglycerate 3-Phosphoglyceric acid 1.6322 1.3284 1.2920 1.4275 0.9988 1.0282 1.1947 0.6467 1.6162 2.0921 1.0012 0.3271 0.3271 0.9329 1.3372 0.7500 0.3564 0.3271 0.3271 0.3271 0.6110 0.7907 0.4347 1.7683 0.3271 0.3271 0.3271 0.3271 0.3454 0.3271 0.3271 3-sialyllactose 0.9799 1.0557 1.0282 1.1662 1.0119 1.0741 1.0295 1.0380 0.8826 1.0538 0.9487 1.1839 0.1387 0.8640 0.9720 0.1387 1.1181 1.0694 1.0873 0.6336 1.0620 0.9881 1.0432 0.1387 0.6273 0.2881 0.4299 0.5489 0.1554 0.6848 0.1387 3-sulfo-L-alanine Cysteic acid 0.8507 0.7441 0.6554 1.1500 0.9900 1.2486 1.4058 1.1225 0.6305 0.7496 1.1446 0.9704 2.7611 0.9602 0.6630 1.3241 1.4639 1.8864 1.6876 0.7937 2.3628 1.7430 2.0602 1.0100 0.5924 0.4257 0.2908 0.4218 0.2374 1.0520 0.2366 3-ureidopropionate Ureidopropionic acid 0.5532 0.9502 0.4000 0.7017 1.0070 1.1760 0.9930 0.6834 0.7675 0.5654 0.6039 0.4818 1.6072 0.6546 0.7448 0.3964 0.9612 3.0720 1.3341 0.6924 0.9637 1.7958 2.4542 5.6524 1.3664 4.5448 3.4054 2.8404 11.7897 1.9063 12.4844 4-acetamidobutanoate 4-Acetamidobutanoic acid 0.7852 0.9291 0.6214 0.9297 0.7127 0.8542 1.1405 0.6988 0.6475 0.7490 0.7941 0.7433 1.5693 0.5393 0.6042 2.7424 1.0484 1.1468 1.2730 0.8925 1.2503 1.0136 1.2276 3.1915 1.0105 1.3458 1.1965 1.1903 0.9895 1.1655 0.9375 4-cholesten-3-one Cholestenone 1.3869 1.6704 0.9990 0.7038 0.7222 0.8133 1.2843 2.5224 0.9885 1.0010 1.5567 1.5943 1.4786 0.5351 0.8960 1.9747 1.7701 0.6967 1.1690 0.8189 0.8652 0.8135 1.0724 2.0708 0.6959 1.2741 1.3903 0.8853 0.5710 0.7247 0.3605 4-guanidinobutanoate 4-Guanidinobutanoic acid 0.8964 0.9958 1.0486 1.2236 1.0031 1.2698 1.1026 0.8839 0.9564 1.1138 0.9662 0.9193 1.2344 0.8256 0.9500 0.9227 0.9336 1.2613 1.0798 1.1782 1.3311 1.3838 1.1507 0.9572 0.9969 0.8949 1.0098 1.1694 0.9484 1.3184 0.1575 4-hydroxybenzoate 4-Hydroxybenzoic acid 0.5432 0.5805 1.1629 1.0430 1.1839 1.3329 0.9126 0.7899 0.8270 0.9131 0.7475 1.1306 1.4778 0.8969 0.9341 1.8395 1.3657 1.9451 1.8672 0.8517 2.0065 1.6898 1.3451 4.9028 0.9921 0.7467 0.6055 0.9556 0.6155 1.0079 0.2313 4-hydroxybutyrate (GHB) 4-Hydroxybutyric acid 0.6118 0.6118 0.6118 0.6118 0.6118 0.6118 0.6118 0.6118 0.6118 0.6118 0.6118 0.6118 0.6118 0.6118 0.6118 6.0329 0.9185 0.6118 0.6118 0.6118 0.6118 0.6118 0.6118 11.1533 1.0815 0.6118 0.6118 0.6118 0.6118 0.6118 0.6118 4-hydroxycinnamate cis-p-Coumaric acid 0.6654 1.2550 0.9133 1.0764 1.4877 1.0301 1.4593 0.8944 0.8790 0.9080 1.7401 0.9259 0.7547 0.9523 1.0104 0.6447 0.8148 1.3321 1.3863 1.1407 1.5676 1.4245 1.4690 0.5442 0.7521 1.0588 1.0251 0.9896 0.7698 0.9082 0.3133 4-hydroxycinnamate sulfate 4-Hydroxycinnamate sulfate 0.9523 1.4933 1.1756 1.0490 1.0368 1.2066 1.5394 1.3684 1.4738 1.3241 0.6113 1 1.5412 0.5761 1.2881 0.7956 1.1100 1.6487 0.9390 0.6188 0.7797 0.8446 1.4037 0.3848 0.7148 0.3060 0.4411 0.5033 0.2080 1.0377 0.1681 4-hydroxyglutamate Erythro-4-hydroxy-glutamic acid 0.4803 0.4803 0.4803 0.4803 0.4803 0.5429 0.4803 1.1754 0.4803 0.4803 0.4803 0.9563 2.4636 0.6173 0.4803 1.2095 0.9929 1.3156 1.4276 0.8309 0.4978 1.4358 1.0071 1.5372 0.9623 0.5571 0.4803 0.8761 0.4803 1.2805 0.4803 4-hydroxyhippurate 4-Hydroxyhippuric acid 1.2309 1.7448 1.5464 0.8898 1.1220 2.3287 1.6141 1.4110 2.4830 2.4301 0.8495 0.8272 0.9389 0.4670 2.1434 0.9906 0.7441 3.1420 0.7149 1.2328 0.6490 0.8742 1.4477 0.2947 1.0094 0.2402 0.2312 0.8870 0.1685 1.9170 0.1685 4-hydroxymandelate 4-Hydroxymandelic acid 0.2354 0.6795 1.0350 0.3914 0.7736 1.2869 0.2291 0.6953 0.6347 1.2257 0.2368 0.5640 1.4951 1.1101 0.5463 1.8175 1.5103 1.8531 1.6341 0.9650 1.5014 1.1156 1.5548 1.3437 0.6662 0.3994 0.6904 0.6826 0.2291 1.6382 0.2291 4-hydroxyphenylacetate 4-Hydroxyphenyl acetate 0.1223 0.1223 0.1223 0.1223 0.1223 0.1223 0.1223 0.1223 0.1223 0.1223 0.1223 0.1223 0.1223 0.1223 0.1223 0.3083 1.3876 1.1186 2.0368 0.6779 1.1965 1.6137 1.7625 0.6350 1.0273 0.8767 0.9727 1.2311 0.5206 2.1591 0.2249 4-hydroxyphenylpyruvate 4-Hydroxyphenylpyruvic acid 0.1886 0.4956 0.3410 0.2167 0.1908 0.2452 0.4443 0.3572 0.3120 0.4333 0.2129 0.3506 0.4202 0.1785 0.3504 0.9214 2.3533 1.7162 5.1325 2.1858 1.0786 4.3884 1.9809 3.5441 3.0803 6.3838 3.9981 3.3302 2.4782 2.5287 3.0472 4-imidazoleacetate Imidazoleacetic acid 0.3565 0.6007 0.4266 0.4174 0.4230 0.6358 0.8553 0.5393 0.5225 0.4346 0.3079 0.4278 1.1840 0.2726 0.4230 2.5676 1.4879 1.4165 1.6961 1.0057 0.9943 1.0129 1.1112 59.1065 2.6886 1.7704 3.1866 2.6137 1.2694 7.9143 0.4280 4-methyl-2-oxopentanoate Ketoleucine 0.2580 0.5033 0.3912 0.2027 0.2155 0.2159 0.5631 0.6362 0.3370 0.6477 0.2792 0.6285 0.1003 0.2676 0.5659 0.9605 2.2587 1.7536 2.7177 2.1669 1.0395 5.1275 1.7464 2.3709 3.0490 4.7559 3.1913 2.2193 2.6259 2.2782 2.2946 4-methylthio-2-oxobutanoate 2-Oxo-4-methylthiobutanoic acid 0.3242 0.3242 0.3242 0.3242 0.3242 0.3242 0.3242 0.3242 0.3242 0.3242 0.3242 0.3242 0.3242 0.3242 0.3242 0.3242 1.1226 0.5506 1.5859 0.4230 0.3887 3.8513 1 2.2785 1.2740 2.0683 1.6664 0.8984 0.4033 0.5886 0.4694 4-vinylphenol sulfate 4-Hydroxystyrene 0.1441 0.1441 0.1441 0.1441 0.1441 0.1441 0.5231 0.1441 0.1441 0.1441 0.1441 0.1441 0.1441 0.1441 0.1441 0.1441 0.2482 0.2254 0.1983 1.4828 0.4523 0.5559 0.5282 1 2.8914 2.1756 1.5353 2.8114 1.4881 1.5277 2.2766 5_6-dihydrothymine Dihydrothymine 0.9196 0.9801 0.3787 1.8936 1.9215 0.7575 1.0672 0.7554 0.3943 0.3787 0.7979 0.7465 1.1345 1.9896 0.7516 1.7429 0.8401 0.5342 1.1491 0.7277 2.4444 2.5087 1.0006 7.7605 0.8788 1.6165 1.8432 0.9994 2.9968 0.7054 4.3586 5-aminovalerate 5-Aminopentanoic acid 0.0121 0.0126 0.0167 0.0156 0.0158 0.0169 0.0211 0.4217 1.1938 0.3392 0.2382 0.6543 0.0557 0.4169 0.8062 1.7995 2.2202 2.2352 2.8658 2.0272 2.1646 2.3145 2.3384 2.0188 2.1383 1.8040 2.0153 2.2299 1.3318 2.4499 0.7417 5-dodecenoate (12:1n7) 5-Dodecenoic acid 0.8731 0.5535 0.9227 0.5219 1.1326 4.7135 0.9621 0.8095 2.4520 2.0787 0.7275 0.9826 0.6711 0.8151 0.8891 1.4546 0.8441 11.4852 0.9009 1.6072 0.9603 0.8705 0.8876 1.0174 36.3358 1.3035 1.1934 11.9036 10.0990 1.1421 2.4216 5-hydroxylysine 5-Hydroxylysine 0.9666 0.6183 0.6708 1.1438 0.9407 0.9939 1.2555 0.6161 0.5067 0.6228 0.8815 0.8259 1.1018 1.4763 0.5825 2.8937 0.7961 1.0157 0.9794 1.3727 1.0061 1.1320 1.1071 4.5888 2.6097 1.0461 0.9817 1.0690 0.9160 1.0241 0.5428 5-methyl-2^-deoxycytidine 5-Methyl-2'-deoxycytidine 1.2601 1.8878 1.0486 1 0.8904 1.1266 3.5874 1.1657 0.6998 0.7160 1.8491 1.3245 0.7555 0.8768 1.3621 1.7478 2.5905 1.5068 0.9011 0.6828 0.8936 2.0288 1.2153 0.9458 0.4630 0.4148 0.4142 0.2877 0.4934 0.6499 0.2877 5-methylthioadenosine (MTA) 5'-Methylthioadenosine 0.5790 0.9994 0.6127 0.8882 0.8034 0.9197 1.0006 0.5220 0.5672 0.7106 0.5755 0.8805 1.0626 0.6576 0.6654 1.5958 1.0270 1.3228 1.0574 0.9561 1.5539 1.5771 1.3828 2.1474 1.2585 1.1188 1.5189 1.7392 0.8202 0.9677 1.2160 5-methyluridine (ribothymidine) Ribothymidine 0.7122 0.8693 0.8578 1.2636 0.6190 1.8047 1.1472 0.9600 1.0890 1.1733 0.6190 0.9832 3.5119 0.6482 0.6615 0.6190 1.1927 2.0083 1.7226 0.9454 1.6755 1.4639 1.1925 0.6190 0.6190 0.8241 0.6190 1.0168 0.9688 0.8651 0.7091 5-oxoproline Pyroglutamic acid 0.5695 0.8188 0.7783 0.8255 0.7331 0.8645 1.0166 0.6073 0.3654 0.6120 0.6864 0.4731 0.9834 0.4459 0.4037 1.4824 2.4099 1.9484 2.9949 1.3355 1.6537 2.3751 2.6594 1.2704 1.3723 1.2439 1.2549 1.4675 1.7683 2.1348 0.6923 7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) 7alpha-Hydroxy-3-oxo-4-cholestenoic acid 0.7657 0.9291 0.3812 0.4364 0.4234 0.3652 1.8443 1.2287 0.9549 0.9734 1.2684 2.2245 0.3431 0.4414 1.1705 1.1938 1.3369 2.2641 2.1404 2.0475 0.8577 0.8870 3.2137 2.0874 1.1911 2.0394 0.9812 0.5990 0.7856 1.0312 1.0188 7-ketodeoxycholate 7-Ketodeoxycholic acid 0.2939 0.2743 0.0480 0.5460 0.1228 0.0498 1.6099 0.1724 0.3707 0.0417 0.0417 0.2658 9.3965 0.0417 0.0475 46.6804 4.7332 2.4830 3.1002 0.7846 5.8828 5.8253 10.6735 12.0038 1.4408 1.3464 1.1556 0.2467 0.8444 2.0280 0.1521 7-methylguanine 7-Methylguanine 1.0985 0.9635 1.2008 1.1800 1.0412 1.0927 0.8521 1.2732 1.3813 1.3290 1.1701 1.3056 0.8712 1.2453 1.2489 1.0398 0.8473 1.0495 0.9894 0.6435 1.0724 0.9751 1.0106 0.7873 0.4407 0.2691 0.3218 0.3815 0.1605 0.6696 0.0588 8-hydroxyguanine 8-Hydroxyguanine 1 1.1876 0.9561 1.2035 0.8508 1.1979 1.1832 1.4985 0.8595 1.2118 1.3833 1.1555 1.8769 1.2146 1.0890 0.7079 0.8257 1.1593 0.4107 0.1570 2.2741 0.6914 0.8614 0.4976 0.0973 0.0973 0.1511 0.0973 0.0973 0.0973 0.0973 9_10-DiHOME 9,10-DiHOME 0.8380 0.7224 0.8749 0.7921 0.7036 0.6666 1.2160 0.8638 1.1271 1.0785 0.9998 1.1028 1.0096 0.8522 1 1.6343 0.7292 1.0587 1.2131 0.8610 0.6514 0.9376 1.0096 2.3930 1.0046 1.5513 0.4351 0.4351 1.9234 0.9496 2.8343 acetylcarnitine CAR 2:0 1.0159 1.7493 0.6211 0.8473 1.3592 1.3915 2.0749 1.0111 0.6653 0.8089 0.7649 0.6403 0.0545 0.9946 0.6071 0.3777 0.9922 0.7473 0.9877 2.2765 1.0054 2.2523 0.7216 0.2466 3.6672 5.1919 3.8729 6.2816 10.7763 2.8859 3.9064 aconitate [cis or trans] cis-Aconitic acid 1.0091 0.3890 0.6610 1.1159 0.8093 0.7000 0.6889 0.7823 0.6843 1.3175 0.7583 1.7450 1.0807 1.4407 1.1939 0.9909 0.6209 0.9178 0.5398 1.9731 0.9436 0.5611 0.5037 2.2147 1.7978 4.0360 2.7596 2.5286 2.7798 1.3411 4.0633 adenine Adenine 0.7921 0.9880 0.8442 1.0642 1.0120 1.1394 0.9589 0.6168 0.3707 0.7595 0.6491 0.7910 42.0801 1.1839 0.4340 26.8692 0.2608 0.2686 0.3172 1.7671 0.4701 0.5626 0.3789 35.0759 2.1707 3.8925 3.4237 4.4201 4.0140 1.5728 2.4206 adenosine Adenosine 1.1124 1.0024 1.0837 0.8780 0.8588 1.0351 1.0246 1.1094 0.9052 0.9976 1.2119 0.9427 2.6534 0.9866 1.0459 31.1745 1.0490 0.8803 0.9598 0.9447 0.8488 0.9164 0.8620 40.0894 0.9162 1.2459 0.9356 0.8503 1.3380 0.8170 1.1021 adenosine 3^_5^-cyclic monophosphate (cAMP) 3',5' cyclic AMP 0.5176 0.5656 0.7518 1.6222 0.5634 0.7198 0.5176 0.9137 1.1612 2.6381 1.2847 2.1477 0.5176 1.3628 1.9117 0.7126 0.5176 1.3709 0.5465 0.5176 1 0.5848 1.6085 0.5176 0.5176 0.5176 0.5176 0.5176 0.5176 0.5176 0.5176 adenosine 5^-monophosphate (AMP) AMP 0.1304 0.1304 0.1304 0.1304 0.1304 0.1304 0.1304 0.1304 0.1304 0.1304 0.1304 0.1304 0.3505 0.1304 0.1304 1.4784 0.1304 0.1304 0.1304 0.1304 0.1304 0.1304 0.1304 3.3281 0.2604 1.4078 0.8500 0.6763 1 0.1304 1.8592 adrenate (22:4n6) Adrenic acid 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.8171 0.2696 0.2696 0.2696 2.3006 0.5072 0.6005 0.7885 1.2415 2.1316 0.2696 1.1829 afromosin Afrormosin 0.7307 0.5756 1.4967 0.8804 0.4226 0.7627 1.0675 0.3862 2.0361 1.0473 0.3901 0.3373 5.5960 0.3286 0.4359 5.2294 0.7437 1.4026 1.1958 3.2990 0.3950 0.9527 0.7583 18.7662 5.6981 2.3407 2.0948 3.5396 4.2730 2.1795 0.2747 alanine Alanine 0.5290 0.8463 0.5011 0.5539 0.6505 0.8508 1.4047 0.4602 0.3468 0.2417 0.7050 0.3537 1.1564 0.5736 0.2965 0.6958 1.0429 1.3399 1.3526 1.3805 1.2748 1.9825 1.0918 0.9571 1.7751 1.8871 1.9870 1.8042 2.1293 1.0756 0.6099 alanylleucine Ala-Leu 1.2533 0.6799 1.7235 0.5359 0.3907 0.4588 0.4825 3.0711 0.9356 3.1663 1.3689 4.3118 0.2799 0.8445 2.9301 2.7704 0.8998 0.7176 0.6948 1.2344 0.4446 0.7364 0.5292 0.3335 1.0882 1.1644 1.0644 1.4240 1.4662 1.6087 0.1814 allantoin Allantoin 1.0503 1.1730 0.9491 0.9092 0.9117 1.2061 1.2332 1.2913 1.0586 0.9909 1.0091 1.1679 1.1929 0.7761 0.9281 0.9603 1.0492 1.6891 1.1246 0.7334 1.0385 1.1159 1.2981 1.1348 0.7944 0.5841 0.7133 0.8041 0.5483 0.9534 0.3389 alpha-hydroxyisocaproate 2-Hydroxyisocaproic acid 0.9247 1.0970 0.8999 1.7292 1.6134 1.6358 2.5806 0.9895 1.1366 1.0105 0.9729 1.8044 0.1370 1.6673 1.3906 0.5716 1.2865 1.8723 1.1612 0.9078 2.7737 2.1805 2.0310 0.3505 0.8495 0.3891 0.5618 0.6781 0.2174 0.6181 0.0205 alpha-hydroxyisovalerate 2-Hydroxy-3-methylbutyric acid 0.6715 1.0040 0.9039 1.2384 1.1237 1.1694 1.6098 0.8760 1.1099 1.0516 0.6156 1.2628 0.5328 1.0221 1.1856 0.6322 1.2146 1.3683 1.5672 0.7925 2.9901 1.9876 2.2828 0.4702 0.6285 0.4951 0.4867 0.9132 0.3916 0.9960 0.0732 alpha-ketoglutarate 2-Oxoglutaric acid 0.3267 0.6026 0.5036 0.4203 0.4210 0.4319 0.4408 0.3902 0.7202 0.4442 0.3872 0.3492 1.2798 0.2368 0.3848 1.3931 6.0745 5.8562 10.7100 2.8423 4.2677 5.2394 5.0197 0.0644 3.7196 4.5292 5.5383 5.3356 4.2916 3.3664 0.5339 alpha-muricholate alpha-Muricholic acid 0.2353 0.2353 0.2353 0.2856 0.2353 0.2353 1.2189 0.2353 0.2353 0.2353 0.2353 0.2353 8.0099 0.2353 0.2353 139.9757 1.4385 0.8504 1 0.4033 1.4141 1.8218 2.9639 11.5820 0.9134 0.8611 0.6942 0.2353 0.3495 0.7631 0.2353 alpha-tocopherol alpha-Tocopherol 0.8150 1.0087 1.0227 1.0370 0.8460 0.9228 0.9111 0.8393 0.9895 0.9993 0.8246 0.9140 1.1259 0.7158 0.8504 1.1383 1.0007 0.9530 0.9810 1.0337 1.0276 0.9573 1.0193 1.4751 1.0385 1.0198 1.0845 1.1659 0.7716 1.1686 0.4402 alpha-tocopherol acetate Tocopherol acetate 0.9319 0.5914 1.0967 1.2944 0.8009 0.8648 0.6681 0.7774 1.1869 1.9255 0.9978 1.3955 0.7959 1.1662 1.2327 1.1177 0.9121 1.0022 0.9925 0.9459 1.2759 1.2466 0.7053 1.2077 0.9475 0.9926 1.0044 1.5013 1.5145 1.4178 0.7298 alpha-tocotrienol alpha-Tocotrienol 0.5122 0.6402 1.0343 0.9630 0.7287 0.8886 0.9657 0.7749 1.4258 0.7037 0.6483 0.9147 2.4376 0.5241 0.9646 0.7934 0.9054 1.1268 1.5193 1.4764 1.1371 1.3651 1.1438 1.2584 1.1825 1.2822 0.9371 1.8844 1.0664 2.3793 0.4778 anserine Anserine 0.9715 0.9794 1.1202 1.2097 1.1153 1.0800 0.9178 0.9479 0.9949 1.1490 1.0311 0.9978 0.9227 0.9824 0.9073 0.8314 0.9932 1.2601 1.0022 1.0658 1.3183 1.3999 1.1585 0.8770 1.1851 0.6705 0.7696 1.0812 0.5485 1.1408 0.1237 apigenin Apigenin 0.7236 0.9271 0.9750 0.6518 0.7599 0.6916 1.0098 0.4819 1.2813 0.7840 0.6670 0.5134 8.8258 0.3911 0.5575 5.8019 0.9891 0.5304 2.0430 2.1798 0.7887 0.9902 1.0117 31.6005 3.5914 5.4348 5.2654 5.8274 4.5475 4.0336 1.7169 arabinose Arabinose 1.6123 0.6548 0.5782 0.7875 0.7909 0.5744 1.3094 1.4672 1.2620 1.6601 2.7199 1.4829 12.1443 1.6466 1.3257 16.0025 0.9945 0.9569 1 0.6070 1.1162 0.7093 1.2011 4.3153 0.3443 0.2438 0.3467 0.4672 0.1622 0.5124 0.1622 arabitol/xylitol Arabitol 0.8652 0.9985 1.0699 1.2028 0.9734 1.2350 1.2350 1.2465 1.0015 1.0748 1.1260 1.1826 1.1791 0.8992 0.9922 0.9664 1.1351 1.3273 1.2632 0.6383 1.2069 1.2997 1.2363 0.3836 0.5086 0.2523 0.3554 0.4294 0.1565 0.6851 0.0243 arabonate/xylonate Arabinonic acid/Xylonic acid 2.3608 2.7806 2.7793 2.7631 2.4990 2.5466 3.0407 2.5856 1.5900 2.5920 2.7519 2.4580 2.8396 1.9354 2.0989 0.9184 0.9764 0.7891 0.6001 0.5273 0.8250 1.0236 0.7859 0.6870 0.4040 0.1634 0.2343 0.3002 0.0708 0.4401 0.0084 arachidate (20:0) Arachidic acid 0.6848 0.6649 0.8162 1.0039 1.2855 1.0508 0.7682 0.7871 0.8155 0.7668 0.8063 0.4830 1.2994 0.9961 0.6348 0.6431 0.6637 0.7602 1.0850 1.9026 1.0195 0.9275 0.8165 2.2592 2.2015 2.0173 2.2497 2.2406 3.9835 1.7402 2.8405 arachidonate (20:4n6) Arachidonic acid 0.4382 0.9942 0.2958 0.5340 1.3851 1.0357 1.0058 0.3151 0.3784 0.1336 0.1778 0.0680 1.8309 0.3799 0.1437 0.6278 0.3679 0.6219 0.9400 7.1365 1.1664 2.6787 0.7366 26.5094 8.0105 13.1932 14.1694 12.9823 28.5534 5.8777 18.4102 arginine Arginine 0.9258 1.0482 0.8510 0.8076 0.8279 1.0942 1.4315 0.8958 0.5814 0.6957 0.9670 0.8687 0.0290 0.7496 0.6800 0.1833 1.0330 1.1641 1.4310 1.6967 1.0755 1.8614 1.0954 0.0660 2.1152 2.3528 2.3391 2.1207 2.5563 1.5654 0.7602 argininosuccinate Argininosuccinic acid 1.0402 1.3045 1.0330 1.1691 1.0817 1.0834 1.0170 1.0159 0.8433 0.9841 0.9760 1.1488 1.0493 0.9198 0.9010 1.0671 1.0881 0.9294 1.1227 0.6790 1.0253 1.1456 1.1283 0.3501 0.7027 0.6429 0.6397 0.6556 0.4924 0.9419 0.1119 asparagine Asparagine 0.8347 1.3317 1.0743 0.9257 0.8370 1.3515 2.0629 0.8716 0.4882 0.3859 1.3683 0.7343 0.4716 0.6252 0.4229 0.0934 0.8828 1.5895 1.9150 1.6536 1.5306 2.1983 1.7316 0.0519 0.7075 1.6212 1.7398 1.6677 1.3865 1.3086 0.1720 aspartate Aspartic acid 0.7478 1.0726 1.0153 1.0103 0.8455 1.1182 1.4384 0.9277 0.8843 0.8600 0.7903 0.4053 1.2516 0.5639 0.6982 0.2049 1.1535 1.2830 1.4330 1.0062 1.5019 1.6246 1.4735 0.9938 0.8079 0.9411 1.1373 1.2092 0.7543 0.9835 0.1669 azelate (nonanedioate) Azelaic acid 0.7498 0.5642 0.7263 1.0684 1.0006 0.9994 1.0774 1.2338 0.9551 1.5871 1.2222 1.1524 0.5555 1.1674 1.5370 0.6577 1.0421 1.2916 1.3962 0.7527 1.5802 1.3985 1.3257 0.4694 0.4999 0.4413 0.4567 0.6916 0.4219 0.8698 0.2777 behenate (22:0) Behenic acid 0.7269 0.8410 0.7811 1.0038 1.2026 1.1403 0.8579 0.9089 0.8504 0.7627 0.6306 0.4397 1.4977 0.8785 0.7176 0.7173 0.6346 0.6633 1.0567 1.6674 1.0340 0.9962 0.8918 2.9928 1.9130 2.3052 2.5719 2.2728 3.6028 1.8679 2.6773 benzoate Benzoic acid 0.6442 0.6608 0.6296 0.6358 0.6173 0.8214 0.8759 0.6877 0.8888 0.8133 0.6009 0.9216 0.8064 0.9773 0.6774 0.9508 1.6139 2.9629 2.3587 1.5539 1.7720 2.7929 2.1322 1.4697 1.6086 2.1352 2.4451 2.2052 1.5578 1.4688 1.0227 beta-alanine beta-Alanine 0.7068 0.8346 1.0039 0.7831 1.0802 1.1367 1.3259 1.0204 0.9140 0.9961 0.8456 0.9359 2.5704 0.7718 0.9953 1.7289 1.0144 1.2752 1.4287 0.9579 1.6106 1.6816 1.3142 2.3001 0.9359 0.5256 0.6251 0.7033 0.6786 1.2206 0.7384 beta-citrylglutamate Beta-Citryl-glutamic acid 0.9021 1.1640 1.3899 1.2205 1.1783 0.9295 1.2166 1.3151 0.9797 1.4497 1.3817 1.1598 0.8993 1.0096 1.2101 0.6672 1.4263 0.9993 1.5576 0.9037 0.9933 1.4925 1.2395 1.0007 0.8835 0.5953 0.6989 0.6998 0.1616 0.9596 0.1157 beta-guanidinopropanoate 3-Guanidinopropanoic acid 1.1356 0.7015 0.5476 0.6655 0.9587 0.9923 0.7994 0.6585 1.1052 0.5476 0.5476 0.5476 1.4768 0.7780 0.5496 0.9324 0.6520 0.5680 0.8727 1.5216 1 2.0337 0.9522 2.1251 2.3302 3.4273 3.0449 2.7211 4.3308 2.1740 2.5565 betaine Betaine 0.6278 0.8512 0.6813 0.9834 0.8534 0.8415 1.1933 0.6759 0.5387 0.8578 0.6216 1.0071 1.2972 0.9929 0.6647 1.6246 0.9793 0.8815 1.1916 1.5758 1.0220 1.5188 0.9333 2.0528 1.8818 2.3993 2.1689 2.4479 3.5362 1.9623 3.0190 beta-muricholate beta-Muricholic acid 0.5310 0.6366 0.3510 1.0577 0.5216 0.4466 2.2500 0.4038 0.4634 0.3208 0.2966 0.6916 16.5545 0.2524 0.2782 255.8623 2.1365 2.4131 1.9948 1.5841 2.4959 2.7602 3.8269 26.8585 1.7677 1.2115 0.8711 0.9423 0.8474 1.3893 0.2482 beta-sitosterol Sitosterol 0.9333 0.8447 1.2385 1.0150 0.8929 0.9847 0.9371 0.9850 1.2895 1.0793 0.8063 0.7771 1.0197 0.7144 1.1266 1.4167 1.0721 0.8404 0.8551 0.9734 0.8028 0.9253 0.9493 1.5392 1.4385 1.3307 1.1904 1.2400 1.0794 1.1216 0.4387 bilirubin (Z_Z) Bilirubin 0.6598 1.3230 0.3315 1.0507 1.1007 0.4398 0.6843 0.3315 1.0083 0.4082 0.4298 0.3315 2.3427 0.6137 0.5107 0.3315 0.4481 0.4633 0.3315 1.3707 1.1582 1.2758 0.8434 1.6019 1.5120 0.9301 1.2426 1.9000 0.9917 1.2946 0.5716 biliverdin Biliverdin 1.1489 1.6379 2.1818 1.0033 1 2.1155 0.8372 1.5002 3.2532 2.3553 0.9211 0.8101 1.3048 1.0854 1.5697 0.9723 1.1477 0.7489 0.6329 0.8131 0.9827 1.2527 0.6602 1.4500 0.9649 0.1224 0.1224 0.3163 0.1224 0.8638 0.1224 biochanin A Biochanin A 0.8077 0.4998 1.3802 1.3490 0.4399 0.5220 0.4805 0.3821 1.1910 0.8258 0.2275 0.2152 3.0563 0.2153 0.3614 5.5538 0.8404 1.7214 0.6040 2.5985 2.4061 1.1596 1.4445 13.7183 5.2040 2.1857 1.8655 2.3423 5.5679 0.7987 0.3835 butyrylcarnitine CAR 4:0 0.3305 0.6067 0.4758 0.2811 0.2811 0.6666 0.9627 0.2811 0.2811 0.7200 0.2923 0.2811 0.2811 0.2811 0.2811 1.4798 1.9464 0.8210 1 5.4653 0.5820 3.1959 0.4568 0.3759 9.9081 11.1028 12.9502 16.1874 13.0995 5.2348 6.3382 butyrylglycine N-Butyrylglycine 0.5059 0.3285 0.3285 0.3285 0.3285 0.3285 0.3285 0.3285 0.3285 0.3285 0.3285 0.3285 0.5500 0.3285 0.3285 0.7100 0.3285 0.7912 0.3285 0.3285 0.3285 0.3285 0.3285 2.6703 0.3285 1.7691 1.2088 1.2333 1.5062 0.3285 0.6991 caffeic acid sulfate 1.1567 1.9490 1.3175 1.2494 1.3012 1.4011 1.3966 1.2540 1.1721 0.9344 0.8121 0.7546 1.2345 0.7273 0.8468 0.9662 0.9458 1.9964 1 0.7652 1.2825 1.4292 1.4309 0.5005 0.9222 0.6691 0.6466 0.7324 0.4619 1.0681 0.1280 campesterol Campesterol 1.0614 0.9575 1.0352 0.9343 0.8776 1.0775 0.7999 0.9704 1.1018 1.0593 0.7116 0.7094 1.0355 0.7960 0.9754 1.3829 1.0757 0.9699 0.9104 1.1808 0.8469 1.1622 0.7153 1.5698 1.2429 1.4088 1.0246 1.2084 0.9044 0.9487 0.4063 caprate (10:0) Capric acid 0.8891 0.7946 0.7527 0.6875 0.8102 1.8818 0.6611 0.8608 1.2288 1.2886 0.6672 0.6927 0.4276 0.8337 0.7537 1.0321 0.7174 3.7845 0.9679 1.3243 0.9630 0.7423 1.0399 1.4954 10.3441 1.5605 1.1914 3.7857 3.6845 1.2063 1.4286 caproate (6:0) Caproic acid 0.7523 0.6056 0.6056 0.9646 0.6056 0.6056 0.8609 0.6056 0.6056 0.6883 0.6056 0.6056 0.6056 0.6056 0.6608 0.6056 0.6056 0.6056 0.6056 0.6056 0.6056 1.1050 0.6056 0.6056 0.6779 2.2630 1.8207 4.1152 1.2545 1.8504 0.6056 caprylate (8:0) Caprylic acid 1.2096 0.7164 1.1070 0.9496 0.7886 0.5200 1.2937 0.5200 0.7766 0.8673 1.0192 0.5533 1.3365 0.7671 1.1961 0.6901 0.9808 1.4310 0.9704 1.2006 0.5200 0.5200 0.8278 0.5200 2.3563 1.3884 2.2980 1.4678 1.6603 0.8332 1.7131 carboxyethyl-GABA N-Carboxyethyl-gamma-aminobutyric acid 0.9406 1.0855 1.0607 1.1870 1.0028 1.0226 0.9862 1.0546 0.8572 0.9972 1.0253 1.0808 1.0708 0.9251 0.9170 1.1521 1.0974 0.8919 1.1789 0.5446 1.0977 1.0956 1.0596 0.6308 0.4085 0.1849 0.3064 0.3702 0.0696 0.6772 0.0034 carnitine Carnitine 1.1669 1.4329 0.7059 0.9669 0.7324 0.5775 1.4902 0.9106 0.7597 0.5786 1.4120 1.2549 0.0901 1.0314 0.3985 0.4811 0.9686 0.5225 0.7624 1.6303 0.9461 1.7913 0.7224 0.4676 2.6551 3.4966 3.5140 3.5728 3.5320 1.2658 2.4177 carnosine Carnosine 1.0429 1.0025 1.2611 1.3220 1.1796 0.9975 0.9311 0.8528 0.9404 1.1028 1.2877 1.0593 1.1367 1.0084 0.9147 0.8316 1.0465 1.2625 1.2948 0.7583 1.1790 1.0855 1.2511 0.7622 0.8892 0.6009 0.5527 0.6825 0.2985 0.8425 0.5635 chenodeoxycholate Chenodeoxycholic acid 1.5406 1.0911 0.3772 0.8961 1.6801 0.1850 3.9325 0.4174 0.1850 0.3636 1.0596 1.0518 3.5558 0.7349 0.4745 43.0641 1.6069 0.7483 1.3015 0.9252 0.6804 0.7396 5.1796 3.7803 1.7899 1.5317 0.5639 0.3837 0.6879 0.9482 5.4042 chiro-inositol 1D-chiro-Inositol 0.3198 0.9167 0.8233 0.8476 0.8563 1.0728 1.1369 0.9013 1.1172 1.0616 0.4099 0.9875 4.8684 0.7367 0.8920 1.4060 1.8774 1.7030 2.1349 1 1.8851 2.0452 2.1695 2.8247 1.1209 0.5407 0.8158 0.9124 0.1339 1.4364 0.0278 cholate Cholic acid 2.3218 2.7366 0.5258 2.5172 0.8724 0.3433 13.9943 0.3843 0.6103 0.2422 0.1501 1.3658 2.4101 0.1440 0.1978 42.7189 4.7255 1.7349 2.1101 0.5841 3.6293 3.7043 15.9152 2.8709 0.6916 1.1276 0.5981 0.1439 0.7631 0.8078 0.3632 cholate sulfate 0.3151 0.4830 1.7130 1.8876 0.7571 1.8975 0.3809 0.4990 3.7528 4.4931 0.2878 0.5657 4.2757 1.0443 4.5644 1.3344 0.2272 1.0736 0.2233 1.5070 0.8043 0.7231 0.7895 3.9858 1.3725 0.2330 0.1379 1 0.0815 1.7944 0.0815 cholesterol Cholesterol 0.6940 1.1274 1.1817 1.0832 1.2458 0.8891 1.0282 0.5926 0.7658 0.7140 0.7870 0.4433 1.0056 0.5914 0.6061 0.6664 1.0919 0.5534 0.6081 0.8069 0.6947 1.3371 0.8140 1.3660 11.0023 1.9535 1.6494 1.9121 2.5976 1.5883 2.0162 choline Choline 0.7267 0.7254 1.0359 0.5877 0.8824 1.7704 1.0122 1.0952 0.8538 1.2973 0.6549 0.6155 1.0846 0.7013 1.5272 0.5757 0.8188 1.4381 1.0516 1.0722 0.7862 0.9189 1.0325 0.9572 1.0795 0.9878 1.0158 1.3188 1.1522 1.5779 0.8577 choline phosphate Choline phosphate 0.8563 1.4198 0.6549 0.5263 0.7436 0.9358 2.3207 0.8751 0.3607 1.1117 0.5587 0.6122 0.7584 2.0917 0.9904 3.4924 2.3476 0.6160 0.6409 0.8611 0.4581 14.1133 0.5012 1.8055 1.0286 2.3749 1.5964 1.0159 3.4495 1.0096 5.8497 chrysoeriol Chrysoeriol 0.7374 0.4934 0.6307 0.7870 0.5887 0.8962 0.9165 0.5724 1.1058 0.9195 0.3196 0.3580 9.2063 0.5921 0.5430 5.6811 0.4919 0.9032 1.9606 2.1680 1.0703 1.1609 0.9297 33.3108 3.5448 5.7502 4.8401 3.5267 4.9254 4.0154 1.7997 cis-urocanate Urocanic acid 1.1243 1.0885 0.8957 1.3960 1.0279 0.9879 1.0458 1.2483 0.9428 1.0121 1.2779 0.8908 0.2028 0.9328 0.8703 0.4256 1.0365 1.4338 1.0557 0.5545 1.2807 1.2842 1.7962 0.3811 0.6856 0.1084 0.3708 0.6440 0.3825 0.4201 1.2614 citraconate/glutaconate Citraconic acid/Glutaconic acid 0.8840 0.9070 0.6380 1.2128 1.1818 1.0212 1.1645 2.5669 1.3818 1.7266 1.0291 3.0763 0.4475 1.1092 1.2779 0.2973 1.2391 2.2509 0.9788 0.6257 1.5275 1.8869 1.7925 0.3330 0.5665 0.3272 0.3122 0.5296 0.3056 0.7188 0.1827 citrate Citric acid 1.2595 0.3525 0.6218 0.8736 0.9830 0.7184 1.0478 0.7858 0.5857 1.1088 0.7337 2.0987 0.8935 1.6896 1.0170 1.3199 0.6459 0.5988 0.5011 1.8468 0.6974 0.5760 0.4227 2.2157 1.7609 2.3305 1.5825 1.5223 1.8063 1.2715 2.4460 citrulline Citrulline 0.8946 0.6582 0.7991 0.5185 0.4548 0.9303 1.3174 0.9998 0.4672 0.7324 1.0494 1.1464 1.3136 0.6362 0.7117 4.0041 0.7373 1.0002 0.8691 1.2510 0.8090 0.7722 0.7417 5.3055 1.5534 2.7077 2.8549 2.1744 2.4568 1.1103 1.9373 coumaroylquinate (4) 0.7681 0.4940 0.7410 1.2921 0.6126 0.7602 1.1418 1 1.0490 0.9431 0.4107 1.5433 1.0645 0.8196 1.4252 0.8832 1.8126 1.9586 1.6840 0.6925 1.8504 1.7634 2.6035 0.1043 1.1086 0.4861 0.4097 0.8390 0.1043 1.4476 0.1043 coumaroylquinate (5) 0.8949 0.9472 0.9083 1.2691 0.7174 0.7529 1.5036 1.0435 0.9424 1.4457 0.7405 1.3406 1.4480 0.8973 1.6179 0.9565 1.2306 1.6471 1.8820 0.5725 1.5038 1.4109 2.1767 0.2753 0.6152 0.5219 0.2753 0.6525 0.2753 1.2115 0.2753 coumestrol Coumestrol 0.5378 0.5378 0.5378 0.5378 0.5378 0.5378 0.5378 0.5378 0.5378 0.5378 0.5378 0.5378 1.0989 0.5378 0.5378 0.5378 0.5378 0.5378 0.5378 0.5378 0.5378 0.5378 0.5378 5.2944 0.5378 0.5378 0.5378 0.8222 0.5378 0.9011 0.5378 creatine Creatine 1.0767 1.3162 0.8341 1.0773 0.9592 0.6737 1.3535 0.7070 1.2577 0.7690 1.0572 0.9916 0.5848 1.1125 0.4257 0.6861 1.0084 0.5491 0.7608 0.8459 1.1692 1.5842 0.6596 0.2190 1.1712 1.5894 1.4008 1.3352 2.0189 0.6857 1.6881 creatinine Creatinine 0.9536 0.8884 1.0540 1.1728 0.9803 1.0706 1.0182 1.0416 0.9818 1.0976 1.0687 1.0860 0.2037 1.0270 1.0384 0.1511 1.0968 1.4134 1.2308 0.7409 1.2355 1.2864 1.2477 0.0274 0.5734 0.3226 0.4224 0.4780 0.2078 0.7415 0.0425 cystathionine Cystathionine 1.2817 1.2601 1.1146 1.3245 1.1164 1.1247 1.3863 1.2246 0.9083 0.9028 1.2217 1.0024 0.7006 0.9475 0.9849 1 1.4837 1.1874 1.3941 0.7813 1.0661 0.9964 1.1557 0.3650 0.8063 0.5731 0.5562 0.6637 0.2717 0.8485 0.2519 cysteine Cysteine 1.2685 1.3837 1.1980 1.6228 1.3088 1.4169 1.7830 1.4365 1.1632 1.1802 1.0232 1.2566 1.4077 0.9534 1.1722 0.7249 0.9768 0.9695 0.7553 0.5407 1.0698 1.1402 0.9027 0.4451 0.4739 0.2654 0.3140 0.4129 0.3088 0.4456 0.1106 cysteine s-sulfate Cysteine-S-sulfate 0.9928 1.4206 1.0072 1.8390 1.7539 1.6538 2.5180 1.3258 0.7600 0.9444 2.3969 1.1760 0.2298 1.0902 1.0548 0.0788 0.8191 1.3636 0.9212 1.2451 2.6359 2.3335 1.6074 0.0618 0.7789 0.3688 0.5166 0.6652 0.1990 0.7283 0.0751 cysteine sulfinic acid 3-Sulfino-alanine 1.0248 0.9869 1.4728 0.9585 1.0131 1.2852 1.4989 1.9083 0.7954 1.5509 1.6404 2.0146 1.2793 0.8330 1.2416 0.2169 1.4614 1.8435 2.2649 0.8222 1.1747 0.7925 1.4354 0.1086 0.4803 0.4357 0.4059 0.4972 0.2398 0.8636 0.1132 cysteinylglycine Cys-Gly 1.0232 1.1717 0.9884 1.1745 1.0588 1.1516 1.2083 1.0116 1.0420 1.1001 0.8722 0.9327 1.0312 0.8522 1.1053 1.7696 1.3674 1.3712 0.9766 0.6634 1.0763 1.2255 0.9784 0.7373 0.8149 0.8465 0.6384 0.7662 0.8003 0.7567 0.2402 cystine Cystine 1.0955 1.5332 1.0130 0.4462 0.4521 0.9870 1.5068 1.3808 0.5519 0.6456 1.8277 1.4359 0.5639 1.0778 0.5556 0.0518 0.3948 0.4760 0.3879 2.4910 0.7585 2.1469 0.3832 0.0518 3.8128 3.6099 5.1159 3.6496 3.0408 0.8970 0.0909 cytidine Cytidine 0.8802 1.0021 0.3548 0.5784 0.9979 0.7612 1.2988 0.5626 0.4529 0.4542 1.0376 0.5272 0.5940 1.0282 0.6386 2.3266 0.8254 0.8744 0.5700 2.2760 0.7007 2.5074 0.7094 2.7259 3.0420 4.4896 5.1452 3.9617 11.1945 2.0377 1.7037 cytidine 2^_3^-cyclic monophosphate 2',3' cyclic CMP 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 0.1489 1.1288 0.1489 0.1489 0.1489 0.1489 0.5784 0.1489 1 cytidine 5^-monophosphate (5^-CMP) CMP 0.2919 0.9812 0.2707 0.4168 0.2707 0.7218 1.6490 0.3597 0.2707 0.5491 0.5220 0.3494 1.4856 0.4394 0.4369 6.5088 1.2768 0.7363 0.7884 2.5898 0.4499 1.0188 0.8220 14.2456 4.2413 9.7387 9.0399 6.0459 15.2701 1.9807 3.5183 cytosine Cytosine 0.9150 1.2815 0.8738 0.9767 0.9221 1.0699 1.4296 0.7247 1.0469 0.8712 0.5131 0.5479 2.1972 0.4827 0.6562 0.4315 1.2601 0.8281 1.1645 0.7110 1.1695 1.2682 1.2325 0.8231 0.4066 1.0592 1.0556 1.0035 1.3110 0.9965 1.0860 daidzein Daidzein 0.7372 0.7782 1.0546 0.6610 0.6985 0.8376 0.7507 0.7680 1.3356 0.9781 0.8553 0.8435 4.5188 0.6649 0.9449 4.1787 0.9788 1.0212 1.8287 1.7767 0.7859 1.0901 1.0363 7.4979 1.7888 1.6807 1.4307 1.3916 1.7279 2.2555 0.1818 daidzein sulfate (1) 1.0620 0.9685 1.2132 1.1197 0.9135 1.2408 1.2292 1.0508 1.1882 1.1452 0.9303 0.8644 1.5361 0.8333 1.1338 0.5688 1.1344 1.0184 1.0276 0.8867 0.8447 0.9586 1 1.0172 0.8016 0.7087 0.9198 0.8882 0.4350 1.0793 0.1128 daidzein sulfate (2) 0.8869 1 1.0772 1.0719 0.9142 1.0881 0.9828 0.9718 1.1129 1.1010 0.7964 0.9532 1.2546 0.8739 1.1023 1.3252 1.0832 1.0329 1.0207 0.9861 1.0654 1.1062 1.0250 0.4805 0.9025 0.7083 0.8356 0.8953 0.4615 1.1926 0.1946 daidzin Daidzin 0.8753 0.9840 0.8617 0.9853 0.9027 1.0074 1.1095 0.7946 0.9110 1.0994 0.9935 1.1049 2.0497 0.9645 1.1424 3.2804 0.8766 1.0463 0.9022 1.1379 1.1349 1.3880 1.4565 3.4568 0.8745 1 0.9072 1.1309 0.7826 1.4254 0.1399 delta-tocopherol delta-Tocopherol 0.6587 0.5919 1.1243 0.9168 0.7261 0.6442 0.7221 1.1539 1.1185 0.8816 0.9677 1 0.8815 0.7714 1.1153 1.2823 0.9187 0.9741 0.9190 1.3039 1.1267 1.1488 1.1448 1.3740 1.4832 1.0669 0.9070 1.2441 0.6965 1.1801 0.5919 deoxycarnitine 3-Dehydroxycarnitine 0.8191 1.0516 0.7438 0.7875 0.7487 1.0008 1.2734 0.8596 0.6160 0.6306 0.7125 0.6138 43.0686 0.6883 0.6242 23.9267 0.7872 0.8247 0.7721 1.5298 0.9992 1.9317 0.8356 63.1657 1.8483 2.6595 2.7479 2.5266 3.6870 1.5300 1.8113 deoxycholate Deoxycholic acid 1.3491 0.5733 0.5590 0.4371 1.1666 2.0265 0.4371 0.4371 0.4371 0.4371 0.6104 0.9713 0.4371 0.4371 0.6541 0.4371 0.4371 0.7637 0.4371 6.6517 0.4371 1.1204 0.4371 7.0731 0.4371 1.0287 0.4371 0.4371 0.6551 0.7892 4.1672 diacylglycerol (16:1/18:2 [2]_ 16:0/18:3 [1]) DG 34:3 1.2172 0.6895 0.9632 1.0764 1.2997 0.9008 1.2084 1.2076 1.0063 0.9937 0.8862 0.8234 0.7796 2.1512 1.4162 1.1577 0.8137 1.0945 1.1844 0.4158 0.9089 1.0073 1.1354 0.3854 0.7837 0.7115 0.7061 0.8159 2.8634 0.3854 1.8800 diaminopimelate 2,6-Diaminopimelic acid 0.1792 0.1792 0.1792 0.1792 0.1792 0.1792 0.1792 0.1792 0.1792 0.1792 0.1792 0.1792 3.7511 0.1792 0.1792 1.9685 0.6820 0.3303 1 0.7156 0.3745 0.5326 0.6153 2.9432 0.8640 3.9542 2.8815 2.9629 2.4149 2.0614 0.2019 digalacturonic acid Digalacturonic acid 0.7813 1.0459 1.1801 0.4801 0.7516 1.0335 1.1805 1.0046 0.5907 0.8862 0.9954 0.5720 41.5339 1.1269 0.7448 9.5885 1.1788 1.0790 1.1086 0.4497 0.6955 0.4956 1.0966 13.3556 0.2678 0.2542 0.2542 0.2542 0.2542 0.6697 0.2542 dihomo-linoleate (20:2n6) 11Z,14Z-Eicosadienoic acid 0.4751 0.5865 0.5194 0.8429 1.5850 0.9303 0.9356 0.4667 0.4033 0.3445 0.5117 0.2217 1.3534 1.0644 0.4073 0.6224 0.5186 0.8298 1.0909 2.6961 1.1903 1.0984 0.8101 6.4918 2.8927 2.7345 2.9009 2.5641 7.2045 1.4348 6.4184 dihomo-linolenate (20:3n3 or n6) Dihomo-gamma-linolenic acid 0.4779 0.9178 0.3459 0.7386 1.4314 1.0712 1.0378 0.2894 0.2803 0.1965 0.2154 0.0935 2.2474 0.5912 0.1969 0.6528 0.4715 0.7296 0.9622 4.4981 1.1808 2.0685 0.8207 27.0372 5.1137 8.3372 9.5062 7.3351 19.5394 3.6487 15.9933 dihydroferulic acid Dihydroferulic acid 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 1.1730 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 6.0092 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 0.4834 dihydroorotate 4,5-Dihydroorotic acid 0.4628 0.1279 0.2984 0.2419 0.1707 0.1279 0.5949 1.8793 0.1907 1.2355 0.1279 75.2781 1.1806 0.2571 5.8661 1.2433 1.6791 0.4075 9.1582 0.2803 0.2913 2.1147 1.2531 1.5293 1.0316 1.1179 1 0.8650 0.9456 0.3911 0.1279 dimethylarginine (SDMA + ADMA) Dimethylarginine 0.8834 0.9843 0.8395 0.9454 0.8776 1.1063 1.2338 0.8103 0.9576 0.8343 0.8026 0.7421 1.0405 0.7071 0.7660 0.6208 1.1150 1.0143 1.2267 0.9857 1.4066 1.6091 1.0830 1.6708 1.1330 0.9501 1.1595 1.2601 1.2358 1.4066 0.9802 dimethylglycine Dimethylglycine 1.1041 0.8214 0.9180 0.5143 0.7411 0.8897 1.2040 0.7959 0.7380 1 0.7721 0.8119 1.1004 0.4938 0.8567 1.3022 0.9316 0.6814 1.4193 8.2527 0.4938 1.0993 0.8558 12.9744 11.4927 15.2305 17.5203 15.6050 15.4391 10.6565 16.8249 docosadienoate (22:2n6) 13Z,16Z-Docosadienoic acid 0.5055 0.6843 0.6457 0.7858 1.3932 1.0417 0.8355 0.4360 0.5863 0.4621 0.5413 0.1905 1.3440 0.9583 0.3980 0.5522 0.6017 0.7956 1.2083 2.3529 1.0636 1.2367 0.8157 4.6854 2.2900 2.6917 2.7056 2.6391 5.6517 1.6226 5.0239 docosahexaenoate (DHA; 22:6n3) DHA 0.5985 0.8191 0.3679 0.6561 1.4198 0.9995 0.8965 0.4694 0.4806 0.1743 0.2276 0.1028 1.9611 0.6720 0.2281 0.7514 0.4331 0.7641 1.0382 5.9314 1.1447 2.1909 1.0005 33.6330 8.8748 10.2184 10.7883 11.3949 24.0944 5.4393 21.7291 docosapentaenoate (n3 DPA; 22:5n3) DPA 0.5914 0.6925 0.4747 0.7438 1.6440 0.9569 1.0331 0.3594 0.4476 0.2280 0.2262 0.2262 1.6918 0.8524 0.3703 0.5476 0.6149 0.8840 1 3.7101 1.2149 1.8881 0.9443 21.6543 4.8104 5.6137 6.4858 4.9930 11.1937 2.8863 12.7861 docosapentaenoate (n6 DPA; 22:5n6) Docosapentaenoic acid (22n-6) 0.6142 0.5825 0.5379 0.6640 1.2264 1.1242 0.8512 0.1442 0.4052 0.3633 0.1032 0.1032 1.3265 1.2998 0.4044 0.5393 0.5355 0.7485 0.9722 3.1324 1 1.4859 0.6661 13.7159 3.5422 4.4120 4.5981 4.5665 10.8149 2.4708 10.6174 dodecanedioate Dodecanedioic acid 0.8307 0.5364 0.7526 0.8578 1.3224 0.8777 1.1129 0.5449 0.7719 1.0386 0.5364 0.5364 0.5364 0.5364 0.8956 1.4551 1.0155 1 0.6723 0.7473 0.9521 0.7979 1.0790 2.0304 1.3519 0.5364 1.0617 1.2038 1.5742 0.8831 1.8531 D-urobilin D-Urobilin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ectoine Ectoine 0.8497 0.6326 0.8769 1.0112 0.9114 1.1315 0.8528 1.0048 0.8116 1.1335 0.8813 0.9879 1.1018 1.0293 1.1578 0.8612 0.9952 1.5070 1.4178 0.8763 1.6724 1.1079 1.2117 0.6885 0.6077 0.6910 1.4866 1.0993 0.1771 1.1512 0.3755 eicosapentaenoate (EPA; 20:5n3) EPA 0.6626 0.7888 0.4369 0.5718 1.2624 0.9384 1.0616 0.5853 0.7758 0.2764 0.2772 0.1452 1.3450 0.5687 0.2994 0.5626 0.5809 0.8422 1.0685 5.8612 1.4040 1.8891 0.8799 11.7258 6.3123 8.3384 8.0460 7.0273 15.9913 3.4223 12.7854 eicosenoate (20:1) cis-Gondoic acid 0.5019 0.4836 0.5875 0.7892 1.5217 1.0141 0.7874 0.5343 0.5805 0.3970 0.6270 0.2650 1.5333 1.2131 0.4755 0.5534 0.4965 0.7368 1.1082 2.3934 0.9859 1.0160 0.7383 2.8788 2.0431 1.9912 2.0767 1.8634 5.0099 1.3065 3.5509 equol Equol 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.6273 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 4.3694 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 0.1404 equol glucuronide 0.0733 0.0733 0.0733 0.0733 0.0733 0.0733 0.0733 0.0733 0.0733 0.0733 0.0733 0.0733 0.7317 0.0733 0.0733 1.5106 0.0733 0.0733 0.0733 0.0733 0.0733 0.0733 0.0733 1.2683 0.0733 0.0733 0.0733 0.0733 0.0733 0.0733 0.0733 equol sulfate 0.0028 0.0028 0.0028 0.0028 0.0028 0.0028 0.0028 0.0028 0.0028 0.0028 0.0028 0.0028 1 0.0028 0.0028 2.3978 0.0028 0.0028 0.0028 0.0028 0.0028 0.0028 0.0028 6.5817 0.0028 0.0028 0.0028 0.0028 0.0028 0.0028 0.0028 ergothioneine Ergothioneine 0.3736 0.4602 0.3077 0.3454 0.2570 0.6375 1.0324 0.2876 0.3400 0.3376 0.2555 0.3344 1.1368 0.2913 0.3423 0.6413 1.3706 0.9861 1.0139 1.4816 1.2060 1.1784 1.2769 4.2342 3.2231 6.5129 4.9017 4.3229 15.0137 2.9332 5.1557 erucate (22:1n9) cis-Erucic acid 0.6182 0.5452 0.6447 0.7909 1.4407 1.2914 0.6025 0.5218 0.6823 0.4785 0.8820 0.2781 1.9493 1.0730 0.5114 0.4817 0.5316 0.5897 1.3239 1.6624 1.0618 0.9382 0.6879 2.9314 1.7483 2.0899 2.4191 2.1968 3.9723 1.8361 3.8640 erythritol Erythritol 0.6916 0.8252 0.9959 1.1606 0.9347 1.2411 1.1193 1.5635 1.0116 1.2080 0.7977 1.2721 1.1830 0.9398 1.0041 1.0419 1.1400 1.5841 1.2522 0.6810 1.2785 1.3045 1.3473 0.5936 0.5240 0.2357 0.3269 0.5097 0.1783 0.7141 0.0426 erythronate Erythronic acid 0.7102 0.9568 0.9849 1.3691 0.9838 1.2676 1.2928 1.0949 1.0248 1.1675 0.7291 1.1127 1.3282 0.7602 1.0151 1.3472 1.1732 2.1044 1.5375 0.6418 1.4787 1.5844 1.6367 0.8157 0.5787 0.3292 0.4585 0.6076 0.1870 0.9266 0.0507 ethylmalonate Ethylmalonic acid 0.4380 0.5555 0.3832 0.7698 0.7826 0.7379 0.7649 0.6752 1.1353 0.7167 0.4812 0.8647 0.7917 0.7953 1.5262 0.6839 0.5795 1.7171 0.8536 1.8988 1.3611 1.5607 1.2530 5.4011 2.9967 5.8852 5.8792 5.6087 5.3920 3.2492 1.8967 ferulate trans-Ferulic acid 0.8345 1.1670 0.7257 0.8626 1.1748 1.1813 1.7630 0.9342 0.7803 0.6984 1.2470 0.7923 2.5711 0.8512 0.6684 2.9547 0.8381 1.4216 1.6502 1.1598 1.1099 1.4729 1.5437 9.0335 1.0003 0.9867 0.9472 0.8846 0.8412 0.9997 0.2003 ferulic acid 4-sulfate Ferulic acid 4-sulfate 0.9718 1.4744 1.3972 1.1025 1.0393 1.1864 1.1958 1.0367 1.2524 1.0463 1 0.8524 1.5628 0.6880 0.9821 1.0875 1.2101 1.1245 1.0366 0.7160 0.7676 0.8959 1.2352 0.3669 0.6702 0.2961 0.4341 0.6206 0.1679 0.9638 0.0769 feruloylputrescine Subaphylline 1.1221 1.3982 0.9240 0.9876 1.4486 1.1327 1.1663 9.6473 1.0893 0.9175 0.9776 2.6360 0.0223 1 1.0643 0.0223 1.4951 1.1926 1.3505 0.6043 1.3057 1.1624 0.9439 0.0417 0.8527 0.8680 0.8156 0.8127 0.4595 1.1343 0.1560 ferulylglycine (1) 1.0193 1.7524 2.1790 1.2161 1.1161 2.6607 0.9620 1.0325 2.1815 2.1411 0.6639 0.6938 1.0719 0.4945 2.0659 0.8739 0.4607 2.2667 0.5114 0.9807 0.7203 0.6903 0.6352 0.1377 1.0680 0.1377 0.2039 0.8076 0.1377 1.3570 0.1377 ferulylglycine (2) 0.9408 0.6126 0.9835 0.5071 0.5409 2.0436 1.6020 1.4613 1.9514 1.3573 0.3267 0.3267 0.5631 0.3267 2.8030 1.2707 0.3267 1.2805 0.3267 0.6042 0.3267 0.3267 0.3267 0.3267 0.7712 0.3267 0.3267 0.3267 0.3267 1.0165 0.3267 flavin mononucleotide (FMN) FMN 0.4481 0.4481 0.4481 0.4481 0.4481 0.4481 0.4481 0.4481 0.4481 0.4481 0.4481 0.4481 0.4481 0.4481 0.4481 1.2830 0.4481 0.4481 0.5029 0.4481 0.4481 0.6741 0.4481 1.1882 0.4481 0.9833 0.9982 1.5495 1.8559 0.4481 1 formiminoglutamate Formiminoglutamic acid 1.7540 2.4332 0.6486 0.3798 1.0702 0.4485 1.9894 2.5509 0.4409 0.2563 0.6758 1.1404 3.4780 0.5584 0.6426 5.1371 1.5400 1.9451 2.7800 0.4449 0.4475 0.7694 2.9713 3.8491 0.6525 0.4450 0.2563 0.5005 0.2563 1 0.2563 formononetin Formononetin 0.5518 0.4249 1.0994 1.1775 0.2960 0.3871 0.2540 0.2662 1.1320 1.2003 0.1515 0.1386 2.8096 0.1404 0.2240 6.3132 0.6707 1.3425 0.5725 2.8767 19.6934 1.0037 0.9963 12.2967 4.0594 1.4017 1.3411 1.7494 3.7509 0.7476 0.1357 fructose Fructose 1.6517 1.1523 1.4405 0.8820 0.6609 0.9709 0.6928 1.5929 1.4253 2.6452 1.6946 1.9116 0.7016 1.3796 2.0606 1.2982 1.1880 1.1954 1.2414 0.4584 1.0401 1.0291 0.7630 0.2540 0.1407 0.0868 0.2461 0.1817 0.0427 0.3683 0.0169 fumarate Fumaric acid 0.2757 0.4023 0.1507 0.1538 0.2521 0.2348 0.5823 2.4650 0.3675 3.9908 0.5379 12.5461 8.1524 1.3497 4.5571 12.9405 0.3740 0.2278 0.2697 0.9300 0.3279 1.0100 0.1904 14.1268 4.6994 5.1580 3.0155 2.8015 5.7389 0.9900 6.5951 galactarate (mucic acid) Galactaric acid 0.6539 0.9434 1.7940 1.9527 1.4393 0.7100 1.8375 1.2558 0.5518 2.7638 1.1999 0.5904 2.0007 1.3572 0.5920 0.0317 1.6290 0.6007 1.1239 1.0566 0.5465 1.4060 0.7973 0.1096 0.1796 0.2387 0.3569 1.8028 0.0593 1.5838 0.0317 galactitol (dulcitol) Galactitol 0.2494 0.2494 0.2494 0.2494 0.2494 0.2494 0.2494 0.2494 0.2494 0.2494 0.2494 0.2494 3.9182 0.2494 0.2494 0.2494 1.2482 1.4373 1.3412 0.8217 0.2494 1.3168 1.3981 1.3306 0.7950 0.4992 0.6870 0.6833 0.2494 1 0.2494 galactonate Galactonic acid 1.2306 0.9682 1.3736 0.8976 0.9589 1.1955 0.9101 1.6676 0.8291 1.6347 0.9000 1.5964 1.4517 1.3207 1.1786 0.6436 1.7842 0.9203 1.7950 1.4499 1.6174 1.0318 1.7549 0.2243 0.7025 0.6373 0.9535 0.7329 0.1664 1.3623 0.0165 gamma-aminobutyrate (GABA) gamma-Aminobutyric acid 0.7661 0.8609 0.8441 0.9409 0.8807 1.0184 0.7777 0.9465 0.8759 1.0801 0.8311 0.9236 5.5662 0.9512 1.0161 1.6077 0.7719 1.0911 0.9169 0.9839 1.1149 1.2879 0.9300 1.8076 1.1897 1.6366 1.4358 1.6700 1.6687 1.1062 1.7526 gamma-glutamylalanine gamma-Glutamylalanine 0.5770 0.9638 0.4894 0.7692 0.8605 1.0808 2.0860 0.6197 0.4239 0.3948 0.7064 0.3822 0.8540 0.6646 0.3665 0.4949 1.0362 1.4823 0.9573 2.0501 1.8338 2.7490 1.3033 1.7684 2.6515 3.9403 4.2423 3.2671 3.4902 1.1081 0.5049 gamma-glutamylcysteine gamma-Glutamylcysteine 1.1359 1.2143 1.1703 1.4422 1.1545 1.3068 1.2968 1.1500 0.9825 0.9192 1.0258 0.8735 0.8694 0.9585 0.9559 1 1.3501 1.1800 1.2543 0.7600 1.4402 1.2201 1.3352 0.4669 0.6159 0.3905 0.3975 0.5971 0.1607 0.8565 0.1607 gamma-glutamyl-epsilon-lysine Epsilon-(gamma-Glutamyl)-lysine 0.7389 0.8440 1.2348 1.1796 1.1723 2.0513 1.0447 1.0096 2.1963 1.6814 0.9579 0.9617 1.0359 0.9382 1.0316 0.9904 1.0814 1.6187 1.2900 0.7228 2.1282 1.7628 1.2095 0.6507 0.8596 0.3325 0.3948 0.5817 0.1986 0.8795 0.0145 gamma-glutamylglutamate gamma-Glutamylglutamic acid 0.5757 1.1222 0.6566 0.7321 0.6418 0.9358 1.3770 1.0450 0.4634 0.8373 0.8858 0.9550 0.2535 0.6113 0.7823 0.3722 1.5908 1.8277 1.9063 1.6830 1.4060 3.0606 1.7955 0.2546 1.9750 2.8633 2.4693 2.6631 3.0680 1.8254 0.8266 gamma-glutamylglutamine gamma-Glutamylglutamine 0.2184 1.0409 0.1861 0.4269 0.6952 1.2875 3.5811 0.1055 0.1332 0.3165 0.5595 0.3691 0.1055 0.6668 0.2952 0.3213 0.9186 1.7355 1.9852 5.2560 1.6849 3.8119 2.0183 1 8.2093 14.8593 12.7180 13.9369 10.9181 5.3334 0.7462 gamma-glutamylglycine gamma-Glutamylglycine 1.1316 1.2491 1.3530 1.5539 1.2654 1.5277 1.1908 1.1283 1.2457 1.4937 1.1905 0.9112 1.0600 0.9911 1.0915 0.7379 0.7326 1.0089 0.7618 0.7406 1.2298 1.1561 0.8692 0.5257 0.6130 0.3784 0.5204 0.6664 0.4770 0.6215 0.0712 gamma-glutamylhistidine gamma-Glutamylhistidine 0.6396 0.9828 0.7402 0.9898 0.7622 1.1625 1.4665 0.9169 0.6507 0.8587 0.8654 0.7143 0.9601 0.4135 0.6706 0.7450 1.1428 1.2255 1.5977 1.4781 1.3470 1.8459 1.3732 0.9133 2.2076 3.7575 3.3239 3.1005 4.8375 1.4000 1.0102 gamma-glutamylisoleucine gamma-Glutamylisoleucine 1.9021 1.4325 2.4707 2.0552 1.8026 2.3511 1.1758 1.2701 1.0375 1.4381 1.0721 0.9798 0.5378 2.0357 1.3529 0.5843 1.3657 1.3267 0.7074 0.2050 0.6258 1.0202 0.5604 0.1913 0.1552 0.1057 0.1356 0.1752 0.0814 0.1175 0.0117 gamma-glutamylleucine gamma-Glutamylleucine 0.7299 0.9578 0.6626 0.9129 1.0211 1.2317 2.3709 0.9495 0.5676 0.8447 0.8114 1.1756 0.2496 1.7635 0.9199 0.9789 1.4764 1.3876 0.8805 3.5099 0.8456 3.4837 0.9617 0.6046 4.3745 6.1247 5.7002 5.6313 6.7739 3.0969 0.3164 gamma-glutamylmethionine gamma-Glutamylmethionine 0.4131 1.0314 0.3679 0.6741 0.7518 1.2816 2.5477 0.4088 0.2935 0.3882 0.5262 0.3046 0.5064 0.6832 0.4041 1.7613 0.9579 1.2609 0.6407 2.8364 1.2713 3.9773 1.1750 0.9686 4.8090 7.7773 7.2422 5.8408 5.9873 2.0890 0.5164 gamma-glutamylphenylalanine gamma-Glutamylphenylalanine 0.7630 0.7462 0.9785 1.0857 0.9124 1.1925 1.2317 0.9230 0.7788 1.2468 0.7865 0.9365 0.4057 0.9994 0.9992 0.9010 1.1427 2.0066 0.8995 1.3182 1.1811 1.5432 1.0006 0.4556 1.6369 2.2134 2.3171 1.9078 2.6280 0.7528 0.5429 gamma-glutamyltryptophan gamma-Glutamyltryptophan 0.4473 0.9981 0.4782 1 0.7219 1.3021 3.0037 0.7035 0.2076 0.3556 0.8496 0.3999 0.1976 0.4779 0.1285 0.1285 0.5740 1.1836 1.0608 3.6303 1.9482 2.4297 1.8304 0.9858 5.1047 10.4708 8.1437 8.5692 18.2436 2.7414 10.4764 gamma-glutamyltyrosine gamma-Glutamyltyrosine 0.5536 1.0571 0.7404 0.8262 0.7890 1.3062 2.3947 0.8212 0.4796 0.9429 0.8049 0.7210 0.2765 0.5956 0.7344 0.4535 0.5750 1.2834 0.5933 3.0774 1.0796 2.1049 1.1694 0.3832 5.2009 10.0665 8.8281 6.4990 12.3061 1.5970 4.6650 gamma-glutamylvaline gamma-Glutamylvaline 0.4458 0.6448 0.7410 0.5875 0.5522 0.4588 0.6696 1.0193 0.4539 1.6188 0.6687 2.0924 0.5463 0.7164 1.5279 0.3902 1.2117 0.9807 0.9131 2.2990 0.5911 2.1707 1.1082 0.5114 3.0615 6.1435 4.1913 4.6618 5.7560 2.7500 2.0688 gamma-tocopherol/beta-tocopherol beta-tocopherol 0.7630 0.8253 1.0311 0.8880 0.8303 0.8517 0.9122 1.3216 1.5820 1.1133 1.1770 1.0499 0.9989 0.9585 1.3174 1.2155 0.9864 0.9680 0.9972 1.0174 1.0011 0.8903 0.9712 1.4375 1.5881 1.0378 0.9846 1.2453 0.7419 1.1023 0.3242 gamma-tocotrienol gamma-Tocotrienol 0.4668 0.4668 0.6854 0.4668 0.6635 0.4668 0.6584 0.4668 0.4668 0.6073 0.4668 0.5511 1.2315 0.4668 0.4668 1.1242 0.4668 1.1251 1.1679 1.2390 1.0992 0.4668 0.6585 0.9382 1.0618 0.8264 0.7632 1.5710 1.4210 1.0836 0.7041 genistein Genistein 0.6818 0.7307 0.9562 0.7004 0.7039 0.7433 0.7847 0.7602 1.4119 1.0624 0.7509 0.6583 6.3651 0.6206 0.9128 6.6916 0.9979 0.9234 2.0475 3.0040 0.7620 1.5416 1.0762 10.0812 3.0925 3.5826 3.2739 2.8202 4.0901 3.7117 1.0021 gentisate Gentisic acid 0.8654 0.2932 0.3959 0.4753 0.4627 1.6631 0.5064 1.5851 1.2340 1.4823 0.2668 1.4168 1.1346 1.5113 1.1375 6.6651 0.4562 1.9702 2.3499 0.8403 2.4864 2.1128 0.3826 2.1477 0.2425 0.1206 0.4011 0.1206 0.1390 0.1213 0.1206 glucarate (saccharate) Glucaric acid 0.5570 1.2921 1.5597 1.5713 1.2565 0.9581 1.3268 1.7380 0.6929 1.6261 1.6919 1 1.9604 0.6554 0.9876 0.3065 1.0943 0.5457 1.6344 0.7774 0.7616 2.0425 1.1049 0.3207 0.6197 0.3674 0.7495 1.3077 0.0671 1.8364 0.0287 gluconate Gluconic acid 0.8354 1.0704 1.0483 1.0600 1.0122 0.9730 1.2614 1.0793 0.9339 1.0231 1.0985 0.9999 1.0144 0.9043 1.0001 0.0760 1.1084 1.0323 1.1426 0.6805 1.0539 1.4076 1.1170 0.0668 0.5091 0.2767 0.4592 0.4764 0.0811 0.7317 0.0069 glucose Glucose 1.3446 0.9679 1.0787 1.0407 0.9030 0.8974 0.8981 1.3973 1.0668 1.4934 1.4363 1.2919 1.1870 1.1059 1.3791 2.4114 1.0753 0.9799 1.0298 0.6394 0.9290 1.0083 0.9917 1.1689 0.5540 0.2876 0.4177 0.4905 0.1716 0.6710 0.0141 glucuronate Glucuronic acid 1.1640 1.7624 1.5176 1.4326 1.2313 1.5997 1.3048 1.1446 1.6395 1.3505 0.9606 0.8932 0.2551 0.8796 1.1114 0.2465 1.1605 1.0866 1.0198 0.8379 0.9731 1.1470 1.1209 0.2324 0.1201 0.4244 0.6463 0.7533 0.3336 0.9802 0.1674 glutamate Glutamic acid 0.7985 1.0234 0.9585 0.8507 0.7577 0.9634 1.2263 0.9766 0.7143 0.8256 0.9218 0.7989 1.1489 0.4893 0.6927 0.3289 1.1382 1.3153 1.4509 1.0740 1.1100 1.4656 1.2487 0.3611 1.2798 1.0973 1.2384 1.2965 0.8781 1.2068 0.2858 glutamate_ gamma-methyl ester Glutamic acid, gamma-methyl ester 1.2094 1.4449 0.8375 1.2354 1.2073 1.8833 1.6739 0.9009 0.5944 0.8223 1 1.0950 2.0189 1.1699 0.6701 0.2735 0.9655 1.0176 0.7262 0.7824 0.7376 1.4630 0.9840 7.3636 0.8510 1.0580 0.8285 0.8003 1.0151 0.9567 0.2735 glutamine Glutamine 0.5916 1.0355 0.3892 0.5276 0.7610 1.0819 2.2232 0.6640 0.2971 0.4696 0.9232 0.9645 0.1020 0.7985 0.5532 0.3875 0.9219 1.5802 1.7054 2.7842 1.0528 3.3383 1.4010 0.2330 3.8446 3.2749 3.7266 3.5692 2.5640 2.2566 0.1528 glutaminylleucine Gln-Leu 0.6943 0.7537 0.9096 0.5055 0.2392 0.3192 0.6766 1.7621 0.6055 1.7798 0.8774 1.6546 0.1599 0.4880 1.4014 1.6340 1.9577 0.9074 2.1338 1.9774 0.3637 1.0904 0.5930 0.2135 2.1670 4.8905 4.0976 2.9964 2.8300 1.9550 0.0790 glutarate (pentanedioate) Glutaric acid 0.7778 0.5849 0.5614 0.5807 0.5000 0.6540 1.0212 0.7571 0.8202 0.7581 0.9788 0.7948 1.7045 0.4223 0.5517 1.8084 0.9535 1.0603 1.1287 1.2070 0.6552 1.0960 0.9717 4.2144 1.7073 2.7918 2.8666 1.9395 3.3492 1.1340 4.9030 glutarylcarnitine (C5) CAR 5:0 1.1874 1.7116 1.0779 1 0.9470 1.1296 1.1667 1.1836 0.9416 1.0645 1.1171 1.0537 0.4240 0.8502 1.0186 0.5082 1.1235 1.2847 0.9337 0.3622 1.0647 0.9862 1.1765 0.2702 0.5000 0.2456 0.2852 0.3403 0.1300 0.6794 0.1300 glycerate Glyceric acid 1.5136 1.3204 1.6934 1.9803 1.3981 1.5604 1.2541 1.1162 1.5103 1.0531 0.9469 1.1710 1.3284 1.4409 0.9304 0.7085 0.6582 0.7635 0.4634 0.8061 1.0915 0.9435 0.7977 0.8107 0.5506 1.3170 0.4629 0.7404 0.5622 0.3549 2.2078 glycerol Glycerol 1.6108 0.6113 1.0998 1.3305 1.1222 0.8685 0.7257 0.5833 0.2904 1.1582 1.8444 1.3393 0.4014 0.6751 0.8285 0.3825 0.4985 0.6900 0.9881 1.4503 0.6105 0.8974 0.6564 1.0119 1.4394 1.6322 1.5357 1.4316 2.0929 1.0846 0.9424 glycerol 3-phosphate sn-Glycero-3-phosphate 0.6930 0.4680 0.6435 0.8712 0.6724 1.0880 1.1134 0.7899 0.8283 0.9074 0.5367 0.9311 0.4036 0.8622 0.7839 0.5469 1.2502 1.4168 0.8163 1.3935 0.9151 1.5460 1.1289 1.0689 1.4338 2.7618 2.6343 2.7344 3.4781 1.8281 4.9369 glycerophosphoethanolamine sn-Glycero-3-phosphoethanolamine 0.6472 0.4639 0.7399 0.8446 0.6685 0.8667 0.9082 0.6954 0.6586 0.9599 0.3865 1.0401 2.0859 0.5407 0.7992 3.7651 1.5645 1.6917 0.8572 1.3689 1.5775 1.7322 1.0979 4.6059 0.8897 3.1732 2.3290 2.7174 5.3000 1.2396 12.1190 glycerophosphoglycerol sn-Glycero-3-phosphoglycerol 1.0079 0.4376 1.0199 1.1364 0.9921 0.7958 0.6980 1.0314 1.4104 2.0025 0.5442 1.1216 0.4884 0.8245 1.7455 1.5203 1.5969 1.4531 0.7825 0.6620 1.7481 1.2627 1.3419 0.7222 0.2340 0.8707 0.8353 1.0838 1.3438 0.5439 0.6950 glycerophosphoinositol sn-Glycero-3-phosphoinositol 0.4386 0.3737 0.6870 0.6350 0.6749 0.7100 0.6478 0.5431 0.4356 0.9903 0.3842 1.0826 1.5878 0.8773 0.8800 1.5801 0.7466 1.3473 0.7740 1.5641 1.3022 1.2022 1.0097 2.1467 1.0204 2.5458 2.2199 2.5144 3.1217 1.7093 1.3737 glycerophosphorylcholine (GPC) sn-Glycero-3-phosphocholine 0.5751 0.2829 0.4761 0.4406 0.5839 0.6491 0.5814 0.8413 0.3688 1.0462 0.2781 1.3981 0.7087 0.9609 1.0391 1.4186 1.7108 1.5873 0.7553 1.6101 1.3823 1.7286 0.6840 1.5300 0.5612 2.8116 2.6574 3.5633 3.6683 1.9663 6.1814 glycine Glycine 0.9697 1.2184 1.0977 1.2251 1.1286 1.5082 2.1488 1.0051 0.7233 0.5728 1.3993 0.7236 1.3729 0.7019 0.6256 0.2697 0.5167 0.9332 0.5398 1.0687 1.0901 1.5699 0.9517 0.5210 1.1692 0.9552 1.1246 0.9949 1.1916 0.6260 0.3056 glycitein Glycitein 0.6037 0.6709 1.1208 0.7799 0.5171 0.8206 0.7495 0.8308 1.3320 1.0563 0.6660 0.8420 6.8166 0.5133 0.8299 9.0088 1.0976 0.9437 1.9613 1.9969 0.6968 1.1664 0.8710 28.8582 1.8864 2.0658 2.0397 1.8729 1.8912 2.3779 0.2401 glycitin Glycitin 0.8213 0.8456 0.9416 1.0593 0.8547 1.0084 0.9069 0.7906 0.9910 1.0792 0.6996 0.8861 2.0003 0.6574 0.7165 2.6333 1.0199 1.3172 0.7884 1.2489 0.8780 1.3094 1.5893 4.4717 1.1173 1 1.0076 1.2543 0.7784 1.2682 0.2162 glycylisoleucine Gly-Ile 0.6972 1.2548 0.6039 0.7806 0.8434 0.8308 1.7142 0.7823 0.5430 0.6474 0.9163 0.9124 0.1570 1.0434 0.6921 0.7044 1.0722 1.2102 1.2447 2.1304 0.9566 4.0296 1.3662 0.1378 2.2473 2.9738 2.7812 2.7308 2.9093 1.4923 0.0281 glycylleucine Gly-Leu 0.7335 1.0652 0.5900 0.7220 0.7447 0.8622 1.8382 0.7924 0.3603 0.6118 1.0940 1.0521 0.1497 1.1417 0.6927 0.9362 0.8886 1.1577 0.8049 1.9893 0.9479 2.4780 1.0789 0.2267 2.1579 2.5652 2.6003 2.5675 2.1557 1.3802 0.1592 glycylvaline Gly-Val 0.7314 0.9864 0.7253 0.6855 0.6529 0.7745 1.7566 1.2138 0.4956 0.8926 0.9252 1.3927 0.1441 1.0613 0.8854 0.5595 1.1031 1.2573 1.1660 1.2623 1.0002 2.7091 0.9998 0.1241 1.2971 2.2382 1.9280 1.6756 2.1263 0.8946 0.0905 guanidinoacetate Guanidoacetic acid 0.6884 0.6863 0.6030 1.0254 1.1201 0.7118 0.9103 0.6582 0.5288 0.5903 0.5246 0.5881 2.0119 0.9746 0.5313 0.9098 0.6440 1.0827 0.6286 1.0520 1.2303 1.5239 0.5497 1.6603 1.4218 1.9924 2.1049 1.7872 3.8593 1.1759 2.7582 guanidinosuccinate Guanidinosuccinic acid 1.6390 2.1149 0.7421 0.2396 0.4675 0.9208 1.1474 2.4363 1.5587 1.3224 1.7301 1.5134 1.8787 0.5448 1.3113 1.0792 1.2459 1.6813 1.1747 0.4944 0.5348 0.6173 1.5923 0.6698 0.5363 0.2949 0.5174 0.3238 0.2396 0.7416 0.2396 guanine Guanine 0.9895 1.1841 0.9164 1.0608 0.9492 0.9114 1.6610 0.9657 0.8724 1.0388 1.0755 1.3699 0.8422 1.0105 1.1892 3.0162 1.5004 1.1597 1.0550 0.8294 0.8298 1.2173 1.5164 1.8922 0.5312 0.4708 0.4563 0.4847 0.2222 0.5270 0.0610 guanosine Guanosine 1.1654 0.3619 0.3619 0.4564 0.3619 0.3619 0.3619 0.3619 0.8952 0.7088 0.3619 1.0653 1 0.8065 0.8768 52.9054 0.8785 1.2480 1.9003 0.3619 0.8780 0.3619 0.5668 62.3214 0.5894 1.9269 1.2714 0.3619 5.6028 0.7831 9.0738 guanosine 5^- monophosphate (5^-GMP) GMP 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 0.2561 2.4041 0.2561 0.8662 0.3535 0.2561 1.4168 0.2561 1 gulonate Gulonic acid 0.8580 1.4286 0.9964 1.0555 0.9056 1.2353 1.3328 1.0036 1.1887 0.9354 1.1646 0.9192 1.0178 1.0799 1.2208 0.9318 1.1788 1.1164 1.1471 0.6827 1.0380 1.3317 1.2504 0.2711 0.5908 0.2979 0.4361 0.5749 0.1712 0.7998 0.0188 heme Heme 1.3206 1.4652 0.9996 0.8636 0.8165 1.1618 1.0971 0.7961 1.0004 0.9367 0.6167 0.5134 0.5508 1.1856 0.7563 0.7601 0.9301 1.0076 0.4908 0.9449 1.8910 1.1650 0.7540 1.6147 1.2012 1.3841 2.7406 2.0521 1.7664 0.8514 1.0863 heptanoate (7:0) Heptylic acid 1.3721 1.0239 1.7875 1.0269 0.4757 0.9746 1.3378 1.0870 1.1683 2.1590 1.4341 2.8631 1.4841 1.3543 1.4061 0.9761 1.6431 1.2561 0.8856 0.6571 0.5648 0.5671 0.8089 0.4533 0.5472 1.1493 0.7128 0.6810 0.5786 0.8614 0.6560 hexadecanedioate Hexadecanedioic acid 0.6674 0.6732 0.6358 0.6481 0.6751 0.7286 0.9963 0.6220 0.6889 0.4797 0.7660 0.7939 0.7716 0.6228 0.6760 1.0852 1.1814 1.2692 1.2308 1.2673 1.0037 0.8703 1.3780 1.7575 1.4826 1.9263 1.8928 1.9517 2.1559 1.2139 2.5693 hexanoylcarnitine CAR 6:0 0.7240 1 0.5855 0.5384 0.5952 0.9602 0.9260 0.4192 0.6174 0.4921 0.4332 0.3203 0.2404 0.4661 0.3504 0.2404 6.4664 4.4476 8.2711 7.9998 3.6382 8.9392 5.5531 0.2404 12.7546 9.4335 11.0032 16.5839 9.2773 10.4621 4.4078 histamine Histamine 0.5342 0.4175 1.0573 0.9446 0.9220 0.8378 1.1932 1.4439 0.9891 1.6250 1.0109 1.5285 0.6188 1.2262 1.5088 0.9443 1.4450 1.8168 2.0632 0.8821 1.6775 1.3298 1.3538 0.3559 0.6486 0.4535 0.4451 0.5940 0.2424 1.0516 0.0830 histidine Histidine 0.9400 1.2056 1.0282 0.4349 0.9455 1.4400 0.9718 0.9715 0.5739 0.6376 1.2057 0.8350 0.9549 0.7681 0.6540 0.4880 0.9319 1.4140 1.6239 2.1832 1.7323 2.3401 1.4326 0.2334 3.1525 3.3872 3.4697 3.3200 3.2777 1.9740 0.7404 histidylalanine His-Ala 1.1084 1.6336 0.6808 0.4342 0.6490 0.9513 1.6218 1.3079 0.4685 0.8644 0.9085 0.8255 0.0959 1.8707 0.6676 0.0959 1.0487 0.5058 0.7677 2.4269 0.5588 2.8760 0.4014 0.0959 4.5548 5.1336 6.9303 6.2937 4.4786 2.6087 0.0959 homocitrulline Homocitrulline 0.7300 0.6953 0.8244 0.9171 0.7344 1.0523 1.1455 0.8667 0.4797 0.5445 0.9277 0.6702 0.9477 0.6011 0.5291 0.7703 0.8419 1.4703 1.4164 1.8601 1.3398 1.1130 1.3519 1.3791 2.7167 3.1218 2.8148 3.4897 2.2738 1.7425 0.6130 homocysteine Homocysteine 0.3193 0.3193 0.3193 0.3193 0.3193 0.3193 0.3193 0.3193 0.3193 0.3193 0.3193 0.3193 1.5001 0.3193 0.3193 8.8587 0.3193 0.3193 0.3193 0.3852 0.3193 1.1261 0.3193 1.5153 0.4426 0.8739 0.8032 0.7089 2.4965 0.3193 0.3193 homogentisate Homogentisic acid 0.5750 0.5750 0.5750 0.5750 0.5750 0.5750 0.5750 0.5750 0.5750 0.5750 0.5750 0.5750 0.5750 0.5750 0.5750 0.5750 0.5750 0.5750 0.5750 0.6025 0.5750 0.5750 0.5750 0.5750 1.0034 2.2320 1.0406 0.6952 0.9543 0.9966 2.5256 hyocholate Hyocholic acid 0.5847 0.4834 0.2413 0.6610 0.4787 0.2413 1.9859 0.2413 0.2413 0.2413 0.2413 0.2413 1.7410 0.2413 0.2413 12.9835 1.7231 0.6719 1.1419 0.5269 2.4091 2.1470 3.1660 1.3312 1.1173 0.7963 0.8118 0.2413 0.2413 0.7391 0.8827 hyodeoxycholate Hyodeoxycholic acid 0.7298 0.6802 0.2852 0.6581 3.0128 0.2829 1.7999 0.3683 0.2829 0.2829 2.3048 0.3984 2.9887 1.5264 0.2829 19.8961 1.2154 0.9220 0.8083 1.0780 0.8106 0.8734 2.5232 4.1194 3.2157 1.1539 0.6381 0.2829 0.6777 0.8748 9.8159 hypotaurine Hypotaurine 0.8118 0.7806 0.6145 1.9308 2.2052 1.1986 2.1527 0.6300 0.6171 0.7432 0.4992 0.4379 1.2597 2.1394 0.5393 0.8834 0.7239 0.8216 0.9532 0.8487 2.6931 8.2509 0.5784 1.2129 1.0468 1.5963 1.3111 1.5452 16.2663 1.2488 10.6675 hypoxanthine Hypoxanthine 0.4374 0.9538 0.3867 0.5238 0.5922 0.8587 1.3516 0.4719 0.3094 0.4868 0.3638 0.7174 0.4183 0.5928 0.5183 1.0082 1.3577 1.1165 1.2980 0.9017 1.1661 2.2389 1.3202 2.0539 1.0644 1.4717 1.2268 1.1920 1.9372 0.9918 1.3481 imidazole lactate Imidazolelactic acid 0.3410 0.4723 0.5626 0.6100 0.5460 0.6997 0.7081 0.4840 1.1575 0.8682 0.3967 0.5951 3.8806 0.5347 0.6580 4.5979 2.2034 2.1239 2.7925 1.4038 1.8591 2.2617 2.4419 12.9533 2.1251 1.1318 1.7004 2.2164 0.5200 4.0651 0.1024 imidazole propionate Imidazole propanoate 0.7986 0.7925 1.2030 1.2236 0.7862 0.9804 0.9099 0.9393 1.0319 1.2552 0.9281 1.0196 92.8922 0.7688 0.8190 152.4197 1.2242 1.7097 1.3997 0.8420 1.3121 1.5919 1.3100 68.6910 0.7944 0.4183 0.6135 0.7051 0.2262 1.0922 0.1273 indoleacetate Indoleacetic acid 0.2281 0.1855 0.2224 0.2612 0.2255 0.2612 0.2969 0.1447 0.1849 0.1849 0.2369 0.1507 0.1698 0.1908 0.1546 1.0405 1.4638 1.9212 5.3028 2.8833 2.0601 2.1840 3.2649 9.5095 4.3267 5.7168 4.9605 5.7935 2.3458 8.0354 0.9595 indolelactate Indolelactic acid 0.5301 0.9224 0.9917 1.3306 0.9422 1.3200 1.6453 0.7439 0.8611 0.6723 0.5767 1.4288 0.4521 1.0156 0.8983 1.5619 2.0156 2.4156 3.2781 1.2182 4.2596 2.5977 3.4528 0.8921 1.0083 0.5215 0.6378 1.2672 0.2090 1.7144 0.0652 indolin-2-one Indolin-2-one 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 inosine Inosine 1.0432 0.8030 0.3050 0.3577 0.3448 1.0297 1.1106 0.3749 0.4491 0.4810 0.3050 0.3050 1.5819 0.3170 0.3050 12.2621 1.2500 1.1194 1.4750 0.6292 0.8312 1.3153 0.6947 12.1230 0.5917 1.7346 1 0.8926 5.9197 0.8116 15.7312 isobutyrylcarnitine CAR 3:0;2Me 0.3089 0.3089 0.3089 0.3089 0.3089 0.3089 0.3089 0.3089 0.3089 0.3089 0.3089 0.3089 0.3089 0.3089 0.3089 0.3089 0.6146 0.4376 0.7580 0.8124 0.3089 0.9929 0.5603 0.3089 1.5734 1.4564 1.7924 2.1287 1.8023 1.0071 1.4551 isobutyrylglycine Isobutyrylglycine 0.7739 0.9337 1.0853 1.6096 1.2170 0.8184 1.5680 1.2233 1.2405 1.5954 1 1.5165 0.7969 0.8259 1.4131 0.6275 0.5738 1.2646 1.0937 0.7158 1.6694 1.4945 1.5306 0.1859 0.0956 0.2274 0.1828 0.2078 0.0956 0.0956 0.0956 isocaproate Isocaproic acid 0.1372 0.1372 0.1372 0.1372 0.1372 0.1372 0.1372 0.1372 0.1372 0.1372 0.1372 0.1372 0.1372 0.1372 0.1372 0.1372 0.1372 0.2679 0.5872 4.4504 0.6960 0.5186 1 0.1866 8.2037 8.7173 9.7653 9.7479 6.1080 6.0483 0.3397 isocitric lactone Isocitric acid lactone 0.7273 0.9865 0.9926 1.2011 1 1.1486 1.0441 1.4025 0.9605 1.2633 1.1518 1.3703 1.0627 0.8358 1.1088 0.8640 1.1511 1.1075 1.2955 0.3057 1.2749 1.3503 1.2524 0.3276 0.2217 0.1044 0.1831 0.2442 0.0255 0.5830 0.0008 isoleucine Isoleucine 0.9736 1.4680 1.0515 1.0247 1.1224 1.4913 2.1497 0.9684 0.6491 0.6240 1.2505 0.7656 0.7107 0.7909 0.6374 0.2529 0.6270 0.9753 0.5602 1.7049 0.8860 2.3039 0.8936 0.2773 1.8019 1.9927 2.0792 1.8836 2.1726 1.2091 0.2228 isoleucylglycine Ile-Gly 0.7230 0.7549 0.7014 0.5418 0.4778 0.5257 0.9060 1.1071 0.5343 1.0135 0.9253 1.4214 0.3042 0.7104 1.0823 1.6548 1.0360 0.9865 1.0380 1.5188 0.6147 1.4063 0.6990 0.3281 1.3796 2.1076 1.7193 1.9090 2.8514 1.3860 0.1584 isomaltose Isomaltose 3.6382 0.8449 0.9810 0.9085 0.7652 0.4976 0.3494 1.6543 0.7425 1.3287 14.4925 1.0190 0.3494 2.7860 1.8234 0.3494 0.3494 0.3494 0.3494 0.3494 0.3494 0.3494 0.3494 0.3494 0.3494 0.3494 0.3494 0.3494 0.3494 0.3494 0.3494 isovalerate Isovaleric acid 0.0452 0.0452 0.0452 0.0452 0.0452 0.0452 0.0452 0.0452 0.0452 0.0452 0.0452 0.0452 0.0452 0.0452 0.0452 0.0452 0.0452 0.1559 0.2368 2.0164 0.3804 0.4157 0.8388 0.8852 3.4362 3.8647 3.5787 3.8681 2.9876 2.7892 0.3093 isovalerylcarnitine CAR 4:0;3Me 0.6765 0.6122 0.8083 0.8397 0.5870 1.0615 0.8476 1.1473 0.6139 0.7441 0.8907 0.8738 0.4823 0.8297 0.9669 0.6338 1.5759 1.0331 1.6961 2.2779 0.9344 1.6984 1.4591 0.8924 5.4997 4.7130 6.5835 6.5375 5.1701 3.0459 2.9025 isovalerylglycine Isovalerylglycine 1.0342 1.0419 1.3837 1.9101 1.0856 1.1331 1.3099 1.0610 1.2326 1.6454 1.3561 1.3896 0.9150 0.8285 1.9025 0.5155 0.5623 1.4422 0.6933 0.5865 1.4181 1.1489 0.9658 0.6583 0.3774 0.5636 0.5098 0.7803 0.4736 0.4280 0.2586 kynurenate Kynurenic acid 0.7102 1.0228 0.8055 1.1837 1.0328 0.9814 1.4562 0.9667 1.4346 0.8795 0.3736 0.6908 1.1774 0.6616 0.9794 0.7264 1.1321 2.4272 1.2566 0.8276 1.0738 1.5793 1.7619 1.7534 0.8617 0.8469 0.9807 1.0186 0.5296 1.7642 0.3573 kynurenine Kynurenine 0.5619 0.7003 0.5619 0.6871 0.8604 0.6873 1.2222 1.2250 0.5619 0.5619 1.1829 1.0005 0.5619 0.5683 0.7608 0.6289 0.5619 1.2579 0.9995 1.1401 0.5619 0.9061 1.4912 1.7407 1.0344 1.7048 1.7452 1.6259 3.5265 0.6497 0.9315 lactate Lactic acid 1.5711 0.7840 1.0261 1.8048 1.6526 1.2469 0.9945 1.4654 1.0055 1.8547 1.4917 2.3739 0.0618 1.9339 1.9375 1.0931 0.9340 1.1688 0.5807 0.4512 1.7337 1.0965 0.7751 0.1788 0.3591 0.2880 0.3221 0.5169 0.3069 0.3347 0.0926 lactobionate Lactobionic acid 0.9270 1.0820 1.4012 1.2841 1.0322 1.0081 1.2678 1.6261 1.1694 1.5261 0.9840 1.3955 0.9094 0.9796 1.4897 0.9919 1.2596 1.0199 1.0540 0.7836 0.8995 1.3511 1.0259 0.4763 0.6282 0.2769 0.3946 0.4380 0.1096 0.5371 0.0103 leucine Leucine 1.0067 1.5457 0.9566 0.9933 1.1767 1.5388 2.3048 0.9753 0.5546 0.6279 1.2144 0.8567 0.3829 1.0473 0.6747 0.3197 0.7334 0.9615 0.5477 1.9624 0.9489 2.8633 0.8089 0.2742 2.2949 2.4482 2.5479 2.5420 2.5589 1.6600 0.2483 leucylalanine Leu-Ala 1.0192 0.5730 0.9808 0.4178 0.2927 0.3627 0.5263 1.9191 0.6523 2.3829 0.8182 2.2779 0.1436 0.7299 1.9405 1.4874 1.2883 0.8959 1.2171 1.6145 0.4504 0.7512 0.6036 0.1836 1.3383 1.9949 1.6846 2.2343 1.8526 2.4003 0.3335 leucylglutamine Leu-Gln 0.8436 0.4126 0.7331 0.3219 0.2403 0.2904 0.4743 1.7272 0.4532 1.6766 1.1424 2.8796 0.1460 0.5761 1.7548 1.0199 1.1587 0.9801 1.4536 1.7872 0.3905 0.6033 0.8324 0.1005 1.1556 1.3089 1.0366 1.7628 1.3340 2.6901 0.0628 leucylglycine Leu-Gly 1.2831 0.9113 0.6923 0.5177 0.4792 0.5435 0.9389 1.0611 0.4676 0.8198 0.8813 1.0960 0.2670 1.3661 0.9076 1.4792 1.2641 0.8714 0.9165 1.7346 1.1059 1.6552 0.5480 0.1532 1.8059 2.3337 2.1930 2.6282 2.2579 2.2924 0.1535 linoleate (18:2n6) Linoleic acid 0.4557 0.5355 0.4192 0.6655 1.9082 0.9094 0.9665 0.5676 0.6049 0.2210 0.3838 0.1404 1.5242 0.8680 0.3387 0.6923 0.4491 1.0335 1.2549 5.0078 1.6024 1.6052 0.9003 6.6262 5.4566 5.0946 5.2933 4.6899 13.7279 2.5810 8.3278 linolenate [alpha or gamma; (18:3n3 or 6)] Octadecatrienoic acid 0.4376 0.4917 0.3983 0.5534 1.4630 0.8817 0.8760 0.6299 0.7496 0.2499 0.4294 0.1209 1.1183 0.7244 0.3227 0.6766 0.5217 1.1262 1.2397 3.7019 1.5377 1.5026 0.8626 4.3293 5.3124 3.9739 3.4971 3.4850 11.2579 1.9623 5.7906 linoleoylcarnitine CAR 18:2 0.7878 1.2705 0.1571 0.3920 0.5304 0.8406 1.1594 0.3099 0.2596 0.1571 0.1571 0.1571 0.1571 0.1571 0.1571 0.4044 0.1571 0.2793 0.1571 1.9800 0.1571 1.2138 0.1571 0.6992 4.7229 4.3153 4.2879 4.5927 17.7860 3.2029 5.6424 linoleoyl ethanolamide Linoleoyl-EA 0.5645 0.9260 0.4798 0.7333 1.1461 0.7925 0.9894 0.9727 0.4929 0.3676 0.3764 0.4355 0.9202 0.7771 0.7412 0.9769 0.7591 1.0106 1.5627 3.2977 1.4020 1.4880 1.9464 2.8623 2.6237 2.2534 2.5626 2.4964 2.4311 2.3871 1.5512 linoleoyl-linolenoyl-glycerol (18:2/18:3) [1] DG 18:2_18:3 0.8831 0.4964 1.1273 1.1995 1.0473 0.5257 0.8359 0.9720 1.0024 0.8623 0.8991 0.6761 1.0886 1.0267 1.2878 1.9540 1.1057 0.9478 1.2340 0.4964 0.6189 0.5784 0.4964 0.4964 0.9976 1.1219 0.9791 1.7250 2.7209 0.8709 1.4517 linoleoyl-linolenoyl-glycerol (18:2/18:3) [2] DG 18:2_18:3 1.4850 1.0591 1.1061 1.0604 1.0251 0.9816 1.2542 1.0320 0.9468 0.7059 1.1728 0.7457 1.6179 1.2460 1.2692 1.8371 1.0126 0.7469 1.3233 0.2767 0.9874 1.0245 0.8218 0.2112 0.6913 0.6246 0.6764 0.8089 2.6064 0.4961 0.8931 linoleoyl-linoleoyl-glycerol (18:2/18:2) [1] DG 18:2_18:2 0.7629 0.7530 1.0565 0.7998 1.0041 0.6179 1.0660 1.0841 1.6284 0.7377 0.7296 0.5060 1.0610 0.9441 1.0701 1.5915 0.9457 0.6668 1.0385 0.6316 0.9959 1.0934 0.7242 0.5703 1.1098 1.2828 1.5439 1.7435 4.9983 0.7847 2.9006 linoleoyl-linoleoyl-glycerol (18:2/18:2) [2] DG 18:2_18:2 1.3723 0.9980 1.1707 1.1584 1.2248 0.8489 1.1814 1.0546 1.3552 0.5702 0.9579 0.8923 1.9699 1.4523 1.3640 1.7219 0.9885 0.7271 1.4628 0.3564 1.0020 1.0275 0.8917 0.2021 0.7546 0.7054 0.7515 0.5967 2.1458 0.3718 1.0336 lysine Lysine 0.7730 1.0611 0.6854 0.6515 0.6808 0.9990 1.5320 0.6383 0.4362 0.4168 0.8031 0.4372 0.9511 0.5769 0.3842 0.4477 0.8403 1.0010 1.2169 1.8637 1.1155 2.1995 1.0573 1.0080 2.7539 2.9391 3.1951 2.7355 3.2296 1.8273 0.7651 lysylleucine Lys-Leu 0.8486 0.7441 0.6528 0.4913 0.4396 0.5555 0.5497 1.1330 0.4233 1.0491 0.8685 2.0192 0.6102 1.2262 1.1011 4.2854 1.2881 1.1292 1.2111 0.9744 0.6046 1.7385 0.3573 0.4743 1.0256 3.3928 2.5824 1.7339 4.0337 0.8958 0.1018 malate Malic acid 0.8510 0.5954 0.4423 0.5572 0.4833 0.5893 1.1967 0.6006 0.4439 0.8291 0.6563 1.9928 9.9536 0.9409 1.1502 12.3962 0.7604 0.5833 0.4074 3.1089 0.7188 1.0591 0.5467 16.8677 7.5613 7.7699 5.9485 6.2526 9.2983 1.5664 2.9074 maleate Maleic acid 1.4244 0.4714 0.4904 0.9481 0.8279 1.0238 0.9914 1.8773 1.2733 1.6717 1.0086 1.6915 0.3556 1.5924 1.3081 1.2287 0.9534 3.1671 1.3200 1.1531 3.5520 3.3267 1.5375 0.6867 0.7132 0.4458 0.7765 0.8085 0.6925 0.5237 0.3634 malonate Malonic acid 1.0221 0.8108 0.7810 0.9592 1.0533 1.0916 1.0513 1.0713 0.9779 1.0431 1.0985 1.0902 0.3509 1.1815 1.0746 0.6167 1.0350 1.2728 1.1983 0.7982 1.4157 1.2665 1.0645 0.5782 0.5916 0.4896 0.5253 0.6569 0.3668 0.9380 0.1651 maltopentaose Maltopentaose 1.7935 1.4436 1.8758 2.2702 1.4100 1.6709 2.2777 1.0801 1.3603 1.0503 0.9778 0.8912 0.0811 0.6659 1.4407 0.1479 0.7367 1.0491 0.9002 0.4666 1 1.0343 1.3914 0.0192 0.5496 0.3418 0.3534 0.3867 0.1553 1.0604 0.0080 maltose Maltose 1.3736 1.0332 1.3139 1.7737 1.0841 1.2271 1.5028 1.2408 0.9043 1.1971 0.5587 1.4269 0.1468 0.5293 1.1628 0.9184 0.8936 1.2106 0.9668 0.4781 1.1451 1.2116 1.3660 0.0309 0.4075 0.2635 0.3485 0.5543 0.2006 0.5847 0.0309 maltotetraose Maltotetraose 14.2926 3.1618 1.3535 2.7889 1.6225 1.3640 1.0941 5.0816 1.6845 1.5303 25.3407 1.3563 0.2661 4.5983 4.0068 3.7842 0.7148 0.6674 0.7349 0.3292 0.7399 0.9059 0.8442 0.0527 1.1867 0.2577 0.2913 0.2641 0.1710 0.4953 0.0137 maltotriose Maltotriose 1.3194 0.8633 1.2089 1.9307 1.1321 1.0533 1.8508 1.1470 0.8376 0.8636 1.6315 1.1174 0.2739 0.7239 1 0.6669 1.2276 1.7359 1.0302 0.5391 1.6091 1.4246 1.9503 0.0425 0.6256 0.2939 0.3586 0.4458 0.1219 0.8693 0.0053 mannitol/sorbitol Sorbitol 1.8740 2.0719 2.2738 2.4446 2.1761 2.2529 2.5003 2.7637 1.9791 2.6218 2.1602 2.6543 1.4132 2.0612 2.2072 1 0.0210 0.0391 0.0098 0.0169 0.9168 0.0115 0.0149 0.0124 0.0316 0.0114 0.0033 0.0136 0.0126 0.0087 0.0033 margarate (17:0) Margaric acid 0.7023 0.7074 0.7141 0.8808 1.2467 1.0177 0.9794 0.6242 0.6924 0.6050 0.7811 0.4564 2.1413 0.9761 0.5422 1.0165 0.6089 0.7653 1.1202 2.1205 1.0625 0.9835 0.7726 8.8186 2.3401 2.2058 2.3868 2.1507 3.8935 1.4622 3.8729 methionine Methionine 0.8662 1.5406 0.8077 0.8624 0.9938 1.4493 2.5242 0.7625 0.5279 0.5067 0.9760 0.6886 0.3354 0.9374 0.5900 0.7604 1.0062 1.2802 0.8198 2.9905 1.2712 4.5086 1.1647 0.5412 3.8930 4.3312 4.7049 3.9993 4.7170 2.2361 0.4434 methionine sulfoxide Methionine sulfoxide 0.8123 1.1386 0.9215 1.0061 0.8592 1.2246 1.6665 0.8921 0.6146 0.6520 1.1138 0.6542 0.1734 0.6000 0.6245 0.4271 0.8285 1.3119 0.9939 1.3380 1.0975 1.9973 0.9793 0.2841 1.3560 1.7292 1.4836 1.4574 1.5671 1.1943 0.2376 methyl glucopyranoside (alpha + beta) Methyl glucose 1.0778 0.6964 0.6001 0.3268 0.9862 0.7846 0.4687 0.3268 0.6834 0.3268 1.0590 0.3268 0.3268 0.7269 1.0655 1.0138 0.3268 0.3268 0.7014 1.6642 0.8041 1.1156 0.5591 1.3103 2.4952 2.2688 2.7058 5.3268 1.9455 1.9289 0.7884 methyl indole-3-acetate Indole-3-methyl acetate 0.1130 0.1758 0.1130 0.1799 0.2291 0.2766 0.1510 0.1130 0.1237 0.1130 0.1130 0.1130 0.1130 0.1276 0.1130 0.3953 1.1789 2.1910 1.4410 1.0594 2.2470 1.2919 2.7137 0.9561 1 1.0451 1.3749 1.4388 0.4687 1.0765 0.1130 methylphosphate Methanolphosphate 0.6538 0.9490 0.7576 0.7575 0.6582 0.6236 0.7944 0.9500 0.7363 0.8433 0.6114 1.0500 5.0793 0.7266 0.8573 2.5902 1.3958 0.6096 1.2577 8.5288 0.5885 1.3779 0.6212 41.7405 8.3257 13.5148 13.5951 5.4588 8.2118 3.5017 2.6762 methylsuccinate Methylsuccinic acid 0.4049 0.7573 0.3057 0.3057 0.3057 0.3057 0.3057 0.3057 0.5100 0.3057 0.6696 0.3057 0.3057 0.3057 0.3057 1.8020 0.3057 0.8991 0.7865 0.9518 0.3057 0.3057 1.1486 2.0274 1 1.4866 2.0449 1.5798 1.8205 1.2326 0.7572 mevalonate Mevalonic acid 0.7663 1.2255 1.3186 0.9744 0.6635 1.0699 1.0230 1.3400 1.4105 1.2957 0.6682 0.3541 1.9614 0.6917 1.2563 2.1889 1.3765 1.6386 1.7386 0.7160 0.9770 1.7558 2.0617 1.1914 0.3942 0.1840 0.2036 0.4699 0.0653 0.7338 0.0160 mevalonolactone Mevalonolactone 0.7646 1.1569 1.2866 0.8742 0.7069 1.1560 0.8469 1.2374 1.3766 1.1213 0.6194 0.3325 1.7744 0.7605 1.0731 1.9172 1.4196 1.5998 1.6525 1.0029 0.9971 1.6334 1.5960 1.3251 0.4821 0.1986 0.2879 0.5309 0.0902 0.7909 0.0264 myo-inositol Myo-inositol 0.7769 1.3116 1.3281 1.7127 1.3144 1.1847 1.4249 1.0696 0.8131 1.4676 0.5919 2.0013 2.8286 1.3033 1.0859 2.3467 0.9256 0.8595 1.1136 0.7579 0.9304 1.3398 0.8457 2.1102 0.5822 0.5087 0.6347 0.5313 0.6287 0.6729 0.4191 myristate (14:0) Myristic acid 0.7472 0.6700 0.7699 0.8314 1.4780 1.0068 0.9929 0.9349 0.8957 0.6784 0.9171 0.5152 0.9932 1.3357 0.6362 0.8647 0.7763 0.9345 1.1525 2.2889 1.2721 1.0337 0.7852 4.4689 2.4538 2.2311 2.1351 2.0780 4.0155 1.3196 4.1228 myristoleate (14:1n5) Myristoleic acid 0.9461 0.6342 0.9112 0.8261 0.7975 1.4080 0.9364 0.4709 1.1369 1.1033 0.9521 0.5895 0.7249 1.0986 0.7178 0.6439 1.0638 3.4688 0.7735 1.4870 0.7874 0.6871 0.6940 1.0479 7.8618 1.2514 1.1254 3.0364 3.4567 1.0910 2.6654 myristoleoylcarnitine CAR 14:1 1.9166 3.1190 0.8554 0.6982 0.8124 0.9097 2.1521 1.9373 0.9754 0.6207 0.9220 0.4362 0.0695 0.4423 0.7110 0.0695 2.0947 0.9439 1.3593 1.4098 0.6818 0.9496 1.6859 0.0695 2.8954 2.4769 3.0047 3.9699 2.3581 2.5470 1.0246 myristoylcarnitine CAR 14:0 1.7239 2.4782 0.7893 0.5788 0.7600 0.9911 1.9118 1.4869 1.0984 0.7683 0.8409 0.4655 0.1532 0.4099 0.8425 0.4426 1.6509 0.8015 0.9609 1.4598 0.5040 1.2861 1.0089 0.3097 2.7148 2.7642 3.6099 3.3243 3.6907 1.9775 1.5629 N(1)-acetylspermine N1-Acetylspermine 0.2196 0.4866 0.3861 0.5022 0.4715 0.4554 0.6152 0.2640 0.2333 0.3074 0.1865 0.4578 2.6031 0.2942 0.2735 1.3423 0.9086 0.8854 1.3514 2.0889 2.2346 1.0914 1.2741 4.8549 1.7590 2.1591 3.5272 4.1994 2.2184 2.8152 1.4519 N1-Methyl-2-pyridone-5-carboxamide N1-Methyl-2-pyridone-5-carboxamide 0.8145 0.7335 1.2079 1.2021 0.7848 0.8855 0.7735 0.9014 0.9500 1.5443 0.7951 0.9268 0.9175 1.0995 1.1989 0.9282 1.0515 1.1803 0.8753 0.7659 1 1.1483 1.2962 1.2583 1.1250 1.0965 1.4261 1.1793 0.6159 1.4457 0.9083 N1_N12-diacetylspermine N1,N12-Diacetylspermine 0.4126 0.6381 0.4830 0.9281 0.8862 0.8576 1.1296 0.6282 0.4999 0.5700 0.3592 1.1115 2.4753 0.7057 0.6392 1.4583 2.2832 1.8967 2.0363 1.0719 2.2865 1.8340 2.0043 3.4771 1.1375 0.6915 1.1636 1.5634 0.3684 1.2612 0.1931 N2-acetyllysine N(2)-Acetyllysine 0.7455 1.3199 1.0631 1.1847 0.8208 1.0998 1.0312 0.9992 1.0322 1.1397 0.7806 0.8784 1.2873 0.6924 0.9090 1.1672 0.9750 1.2233 1.4350 0.7568 1.1442 1.2665 1.2785 0.9012 0.8270 0.6040 0.8109 0.7961 0.3210 1.0008 0.0459 N2_N6-diacetyllysine N,N'-Diacetyl-lysine 0.7303 1.1633 0.9389 0.9704 1.4107 1.3964 1.4149 1 1.2337 0.8774 0.7087 0.6664 0.8961 0.7102 1.2385 0.8927 0.7865 2.4944 0.7694 1.0053 1.1239 1.2767 1.5341 1.0608 1.0371 0.7121 0.8915 1.0382 0.4088 1.8195 0.3596 N6-acetyllysine N6-Acetyllysine 0.6356 1.0104 0.7395 0.7395 0.6514 1.0950 1.6134 0.6212 0.5898 0.5536 0.6182 0.4840 1.2826 0.4936 0.5168 0.5134 0.9896 0.8837 1.2566 1.3442 0.8064 2.5974 0.9254 1.6506 1.7040 2.3765 2.3183 2.0320 4.1118 1.5532 1.8102 N6-carbamoylthreonyladenosine N6-Carbamoyl-L-threonyladenosine 3.7639 4.0996 3.6374 3.6998 2.2101 3.5718 2.4633 2.4834 2.8562 1.9552 3.1917 0.7256 0.9650 1.8705 2.2250 3.0001 0.4775 0.3215 0.3285 0.3873 0.1560 0.6542 0.1729 1.0194 0.6287 0.6432 0.5850 0.5325 1.0735 0.9806 0.6772 N6-carboxyethyllysine N(6)-(2-Carboxyethyl)-lysine 0.9117 0.8477 0.9851 0.2983 1.2471 1.8499 0.2983 1.3082 1.0219 1.0592 0.9094 0.9199 1.6832 0.9108 1.0149 0.2983 0.9228 2.4458 1.9552 0.8748 2.4927 3.2846 2.4901 1.4436 0.9810 0.2983 0.6414 0.5631 0.2983 0.7362 0.2983 N6-carboxymethyllysine N(6)-Carboxymethyl-lysine 0.7976 0.8604 1.1259 1.2378 0.9527 1.1110 1.0362 1.1773 1.0038 1.0574 0.9552 0.9962 1.1731 0.8614 1.0873 0.9691 1.1328 1.5104 1.1930 0.8218 1.4609 1.5742 1.3401 0.9258 0.8159 0.4235 0.5994 0.7429 0.2942 1.0394 0.0301 N6-formyllysine 0.8093 0.7992 0.7975 1.0822 0.8204 1.0213 1.5851 0.7436 0.6588 0.5137 1.3341 0.8559 0.9787 0.7315 0.4677 0.9659 0.9330 0.9567 1.0665 1.4848 1.4124 0.9678 1.4041 1.5201 1.7914 2.4982 2.1289 2.1978 1.1948 1.5126 0.4207 N6-methyladenosine N6-Methyladenosine 0.9088 1.4852 0.2309 0.2309 0.2309 0.2309 2.3810 0.4219 0.2309 0.2309 1.9307 0.2309 0.2309 0.2309 0.7406 3.1783 1.3584 0.7715 0.3473 0.2309 0.2309 1.0912 0.5273 6.3977 0.2309 0.2309 0.2309 0.2309 0.2309 0.3977 0.2309 N6_N6-dimethyladenosine N(6),N(6)-Dimethyladenosine 4.4181 2.5810 1.4362 1.7271 1.5706 1.8309 2.9014 0.9637 0.2530 0.8504 3.7080 1.0363 0.5195 0.5653 0.7023 0.2530 1.8654 0.7863 0.3936 0.2530 0.2530 0.5957 0.7205 0.2530 0.2530 0.2530 0.2530 0.2530 0.2530 0.2530 0.2530 N6_N6_N6-trimethyllysine N-6-Trimethyllysine 0.7313 0.8702 0.7416 0.8265 0.7965 0.9559 1.2453 0.7911 0.6363 0.7312 0.7466 0.7282 1.6206 0.5908 0.6575 0.8712 1.0441 1.2572 1.2799 1.0607 1.3307 1.7137 1.0907 1.1149 1.0954 1.0646 1.2417 1.2121 1.2462 1.1944 0.3279 N6-succinyladenosine Succinyladenosine 1 1.2051 1.0087 1.2441 1.1835 1.0810 1.4137 1.0837 1.1272 1.2812 0.8013 0.9554 0.6495 0.9469 1.3727 0.7889 0.9800 0.9480 1.1439 0.7627 1.0587 1.3196 1.2545 1.1758 0.7846 0.6581 0.7963 0.6555 0.6529 0.8269 0.3456 N-acetyl-1-methylhistidine N-Acetyl-3-methylhistidine 1.0133 1.5554 0.8507 1.1326 1.0330 1.0151 1.2337 1.2904 1.0755 0.8020 0.9401 0.9269 1.2472 0.8104 0.7912 1.0503 1.1465 1.4722 1.0977 0.4451 1.0136 0.9867 1.1228 0.6790 0.4458 0.1703 0.3180 0.3382 0.0769 0.7600 0.0294 N-acetyl-3-methylhistidine N-Acetyl-3-methylhistidine 0.9102 0.7618 1.3522 1.2756 0.8538 0.9509 1.0219 1.3019 1.0454 1.3079 1.0491 1.2093 0.9162 0.9311 1.0649 1.2323 1.1699 1.0735 1.0153 0.3332 0.8774 0.9874 1.0126 0.5500 0.5142 0.0994 0.2791 0.1874 0.0994 0.5927 0.0994 N-acetylalanine N-Acetylalanine 1.0689 1.1611 1.2390 1.6967 1.2588 1.4506 1.6816 1.1910 0.9796 1.3534 1.1506 1.3180 1.0825 1.0204 1.1626 0.4286 0.4730 1.1175 0.4461 0.2673 1.2202 0.8545 0.8858 0.0506 0.1268 0.2304 0.1806 0.1583 0.2985 0.0816 0.0701 N-acetylarginine N-Acetylarginine 1.1133 1.2889 1.3493 1.4500 1.2510 1.4895 1.4170 1.2216 0.9938 1.3256 1.1874 1.1467 1.6192 1.0062 1.0746 0.0756 0.8841 1.0768 1.0210 0.5245 0.9717 0.9392 0.9438 0.0864 0.5332 0.3464 0.3993 0.4979 0.1732 0.6463 0.0491 N-acetylasparagine N-Acetylasparagine 0.8124 0.9679 1.1270 1.0259 1.0833 1.0727 1.0295 1.1435 1.0734 1.0221 0.9779 0.9281 1.4863 0.8060 1.1758 0.8877 1.2313 1.8474 1.6273 0.7657 1.4714 1.7498 1.8847 0.6776 0.6099 0.2941 0.4379 0.5475 0.1569 0.8504 0.0915 N-acetylaspartate (NAA) N-Acetylaspartic acid 0.2058 0.2616 0.3150 0.2910 0.3064 0.3743 0.6385 0.2623 0.2708 0.2658 0.2332 0.2779 2.0975 0.2180 0.2305 1.3050 1.8248 1.5769 1.8611 0.9660 1.2948 1.7173 2.3879 3.9163 1.2413 1.0621 1.6308 2.0185 1.0340 1.2652 0.1092 N-acetyl-aspartyl-glutamate (NAAG) N-Acetyl-Asp-Glu 1.0814 1.0915 1.2043 1.3424 0.9452 1.0313 1.0129 1.0264 0.9935 1.1282 0.9702 1.2089 0.9070 0.8672 1 1.0685 1.1103 1.1745 1.0773 0.6140 0.9559 1.1349 1.0549 0.5451 0.5093 0.2686 0.3920 0.4344 0.1688 0.6458 0.0312 N-acetyl-beta-alanine N-Acetyl-beta-alanine 0.4718 1.0382 0.7060 0.5179 0.6662 0.6586 1.1268 0.7326 0.8357 0.5668 0.3147 0.8442 1.0486 0.3147 0.3147 0.7301 0.9494 0.9837 1.2091 0.5200 1.3044 1.1739 1.1100 1.6157 1.4726 1.4189 1.0603 0.7768 1.0163 1.1854 1.2361 N-acetyl-cadaverine N-Acetylcadaverine 0.5632 0.6591 0.9953 1 0.8627 1.0088 1.3433 1.1544 0.9748 0.9156 0.7905 1.0593 1.2413 0.7377 1.1461 1.3240 1.3674 1.4025 1.8013 0.8891 1.6339 1.4189 1.1955 2.9819 0.6578 0.4824 0.4871 0.8985 0.0661 1.2114 0.0661 N-acetylcarnosine N-Acetylcarnosine 0.9280 0.9592 0.9319 1.2823 1.0963 1.0955 0.9078 0.9187 0.9236 1.0287 1.2286 1.1916 1.0334 1.0537 0.9296 1 1.1204 1.3883 1.4271 0.6053 1.3602 1.4153 1.4035 0.4063 0.5681 0.1561 0.2502 0.4712 0.1561 0.8121 0.1561 N-acetylcitrulline N-Acetylcitrulline 0.6476 0.9693 0.9853 1.0408 0.8630 1.0171 1.5180 0.9345 0.8836 0.9972 0.5213 0.8208 1.1326 0.6524 1.1385 0.4207 1.0653 2.3830 1.3356 1.0244 1 1.5384 2.0365 0.4956 0.6932 1.0390 1.1337 0.7623 0.7721 1.2667 0.4207 N-acetylcysteine N-Acetylcysteine 1.1839 1.0607 0.9803 0.9909 0.9427 1.3234 1.2108 1.2876 1.1459 1.4776 0.7222 1.2879 1.3248 1 1.3050 1.9691 0.7400 1.1879 0.7595 0.5621 1.0988 1.0528 0.8980 0.5514 0.2206 0.2206 0.2298 0.2206 0.2206 0.3106 0.4815 N-acetylglucosaminylasparagine Aspartylglycosamine 0.9507 0.9249 1.2356 1.2031 0.9485 1.1121 1.1959 1.0347 0.7434 1.0110 1.1881 1 49.9543 0.9772 0.9005 4.1205 0.1781 0.1356 0.0375 0.0375 0.0375 0.1223 0.0375 7.3795 0.0454 0.0375 0.0375 0.0375 0.0375 0.0375 0.0375 N-acetylglutamate N-Acetylglutamic acid 0.4375 0.4856 0.5540 0.7911 0.5229 0.9885 0.7294 0.4298 0.5859 0.6425 0.4168 0.5344 4.9161 0.7563 0.6892 4.5861 1.1113 2.4313 1.1071 1.0106 1.4944 1.6712 1.2745 5.7470 1.1326 1.3935 1.0303 1.3748 0.9894 1.1709 0.6549 N-acetylglutamine N-Acetylglutamine 0.9144 0.9879 1.1483 1.3645 1.0526 1.1792 1.4031 0.9875 0.9203 1.0355 1.1913 1.1081 1.0780 1.0089 1.0042 1.1196 1.0701 1.2821 0.9958 0.6131 1.1058 0.9009 1.1350 0.7557 0.4303 0.2716 0.2613 0.4449 0.1354 0.6476 0.1072 N-acetylglycine N-Acetylglycine 0.7629 0.7687 0.7966 1.1023 0.9835 1.1167 1.0165 0.8890 0.8470 0.9151 0.7676 0.8668 0.9545 0.9754 0.9072 1.0606 1.0359 1.2588 1.2990 0.9507 1.6290 1.4613 1.3816 1.2908 0.7869 1.0870 0.8503 1.2122 2.1044 0.9689 1.4379 N-acetylhistamine N-Acetylhistamine 0.4927 0.6179 1.0924 0.9798 0.9391 1.1576 1.5231 0.9923 0.9403 1.0792 0.7224 1.0053 2.1020 0.9436 0.9947 1.1378 1.8739 2.3296 3.3281 0.8812 2.8251 2.3865 2.0410 1.0086 0.7402 0.4997 0.5131 0.7500 0.0928 1.7875 0.0223 N-acetylhistidine N-Acetylhistidine 0.8514 1.1271 1.0732 1.0320 0.9771 1.1943 1.1323 1.0125 1.1348 0.9875 0.8355 0.7222 2.5468 0.7880 0.8804 1.4219 1.1634 1.4408 1.4128 0.7744 1.1919 1.1923 1.2986 1.5178 0.7810 0.4604 0.5621 0.7625 0.2760 0.9796 0.0511 N-acetylisoleucine N-Acetylisoleucine 1.5077 1.5662 1.9754 2.2222 1.9103 2.0964 1.7212 1.8384 2.1098 1.9512 1.8328 1.6652 2.4628 1.8463 2.1947 0.4537 0.1920 0.9638 0.2686 0.3066 1.0362 0.6193 0.4521 0.1809 0.2887 0.2536 0.2899 0.3907 0.2208 0.1822 0.1015 N-acetylleucine N-Acetylleucine 1.6044 1.7499 1.9186 2.5735 1.8998 1.9737 2.7306 2.2816 1.7895 2.1457 1.7918 1.9482 4.0211 1.4386 2.0998 0.4111 0.2806 0.7555 0.1838 0.4085 0.6070 0.4089 0.5880 0.2931 0.5343 0.6563 0.5616 0.4619 0.6536 0.3430 0.2153 N-acetylmethionine N-Acetylmethionine 1.0913 1.2034 1.2243 1.7498 1.5732 1.4682 2.0665 1.3305 1.1293 1.5930 1.1086 1.7041 1.3407 1.1771 1.4950 0.2031 0.2934 1.0363 0.1433 0.1641 0.9637 0.5224 0.6078 0.0784 0.1670 0.3592 0.2436 0.1544 0.4530 0.0872 0.0879 N-acetylmethionine sulfoxide N-Acetylmethionine sulfoxide 1.1224 1.0040 1.3994 1.4757 0.9960 1.4616 1.5213 1.3975 1.1611 1.3891 1.3457 1.3120 0.4413 1.1945 1.2134 0.0554 1.0960 1.2408 0.9340 0.4968 1.1265 0.9856 0.9829 0.0223 0.2169 0.3009 0.3313 0.2870 0.1596 0.7229 0.0219 N-acetylmuramate N-Acetylmuramic acid 1.0424 0.4551 1.2456 1.5232 1.0577 1.1706 0.9891 1.0567 1.3879 0.5786 0.4064 0.9919 4.1895 1.0595 1.0388 2.4226 0.9405 0.7183 0.9715 0.6547 0.8756 1.0081 0.4461 4.6889 0.6641 1.1904 0.7946 0.7342 0.4637 1.1196 0.1116 N-acetylneuraminate N-Acetylneuraminic acid 1.2134 1.8739 1.4448 1.5193 1.4082 1.3384 1.3044 1.0047 1.2452 1.1699 0.9953 1.1292 10.9575 1.1529 1.0818 1.3111 0.4491 0.2319 0.4194 0.5316 0.2181 0.4025 0.3002 1.0555 0.5789 0.4776 0.5069 0.5264 0.5131 0.6094 0.1989 N-acetylphenylalanine N-Acetylphenylalanine 0.8606 0.9045 1.0317 1.3133 1.0724 1.0760 1.3781 1.3629 1.2077 1.3594 0.8819 1.1886 1.2666 0.8867 1.4322 0.9298 0.9596 1.5814 1.4249 0.8292 1.2677 1.3669 1.5975 0.2935 0.7510 0.8653 0.9136 0.8117 0.9683 0.5414 0.5260 N-acetylproline N-Acetyl-proline 0.7785 0.5654 0.8567 1.0263 0.8454 1.1702 0.8223 0.9740 1.3252 1.2324 0.9511 1.2357 1.0155 1.1843 1.3116 1.5301 1.1587 2.0291 1.2617 0.7407 1.3594 1.4307 1.2146 0.6812 0.4337 0.2615 0.3154 0.4859 0.0969 1 0.0969 N-acetylputrescine N-Acetylputrescine 0.8628 0.9206 0.9945 1.1805 1.0640 1.1577 1.2256 1.0450 0.9776 0.9888 1.0578 0.9356 2.0319 0.8820 1.0055 6.9653 1.1231 1.3623 1.6274 0.4871 1.5798 1.2616 1.2352 15.4674 0.5634 0.1356 0.1850 0.3482 0.0302 0.7454 0.0103 N-acetylserine N-Acetylserine 4.8898 6.5541 5.7415 6.9842 5.0551 6.6582 6.2491 5.0447 4.9040 5.0787 5.4759 3.4490 7.2421 3.6552 4.2343 0.7908 0.6036 0.6581 0.4672 0.4331 0.6110 0.9674 0.5717 0.6176 0.4425 0.6091 0.5984 0.5354 1.0326 0.3781 0.5288 N-acetyltaurine N-Acetyltaurine 0.9813 1.4669 1.0085 1.1247 1.0213 1.1412 1.0136 1.0090 0.9105 0.9468 1.0400 0.7890 1.4123 0.8558 0.8124 1.2312 0.9915 1.1786 1.1517 0.4492 1.1218 1.1514 1.1050 0.7696 0.3931 0.2754 0.3525 0.3424 0.2897 0.5786 0.1475 N-acetylthreonine N-Acetylthreonine 5.7742 8.1741 7.9982 8.1232 5.9721 7.4434 8.5069 7.2116 5.6575 8.0871 5.4559 5.7098 11.5465 6.0919 6.5091 0.6764 0.7652 0.9927 0.6137 0.3967 0.9658 0.8685 1.0073 0.6571 0.4014 0.4124 0.4005 0.5205 0.4798 0.2753 0.1030 N-acetyltryptophan N-Acetyl-tryptophan 0.6768 1.1250 1.0723 1.1292 0.8590 1.0958 1.1396 1.1158 1.1782 1.0761 0.6876 0.6428 1.6452 0.6470 1.0256 1.0999 0.8241 1.1705 1.0175 0.8318 0.9825 1.2425 1.0413 1.8299 0.7490 0.5221 0.5679 0.7544 0.5061 0.8153 0.2475 N-acetyltyrosine N-Acetyltyrosine 0.7699 0.7214 0.8491 1.0310 0.7545 0.8493 1.2666 1.0833 1.0057 1.1626 0.8426 1.1030 1.1148 0.7687 1.1600 1.1644 1.0976 1.2422 1.2118 0.6508 0.9943 1.1587 1.3441 1.6255 0.6051 0.7008 0.6292 0.7038 0.6818 0.7184 0.3755 N-acetylvaline N-Acetylvaline 1.0521 1.1953 1.2682 1.5449 1.3285 1.3969 1.5695 1.3115 1.3972 1.4316 1.0756 1.1896 1.6165 1.1733 1.4237 0.2525 0.2617 0.8149 0.2044 0.1716 1 0.5263 0.6688 0.0493 0.1769 0.1601 0.1320 0.1181 0.1147 0.0861 0.0493 N-alpha-acetylornithine N-Acetylornithine 0.5551 1.0296 0.6084 0.9659 0.5722 0.7782 0.5953 1.0246 0.8048 1.0439 0.1783 0.6537 3.6763 1.0634 0.7362 2.3670 0.8535 1.5647 1.0342 1.1314 1.5053 1.4201 0.7910 4.1969 0.9926 0.7469 1.0074 1.1400 0.5024 1.2612 0.1341 naringenin Naringenin 0.7709 0.6948 0.8954 0.7583 0.6361 0.7488 0.6825 0.6514 1.2982 1.2669 0.7978 1.0031 5.6169 0.7911 1.1634 5.4563 0.9969 0.9346 1.5980 1.1935 0.4107 1.0146 1.0510 16.6279 1.4592 1.4228 1.2875 1.1742 0.9932 1.7158 0.1218 naringenin 7-glucuronide 1 1.1131 1.1592 1.2276 0.9566 1.2155 1.2510 1.0253 1.1088 1.2504 0.8192 1.0189 0.7645 0.8987 1.3584 0.8884 0.9889 1.0705 1.1390 0.7512 1.0294 0.9701 1.3426 0.2671 0.6805 0.3949 0.4163 0.5833 0.1575 1.0290 0.0201 N-carbamoylaspartate N-Carbamoylaspartic acid 0.3088 0.2379 0.3605 0.7594 0.5240 0.3912 1.2111 0.9928 0.3272 0.5848 0.2164 30.6846 0.4239 0.3251 2.7005 0.8123 2.4014 1.0072 8.6699 1.0196 1.2685 5.4184 5.7009 1.2101 1.5931 0.8356 1.5968 1.8314 0.4861 2.1775 0.0410 N-delta-acetylornithine N(5)-Acetyl-ornithine 0.5543 0.5093 0.6530 0.6729 0.5130 0.9436 1.2941 0.7339 0.5913 0.5942 0.8905 0.8314 1.8612 0.6304 0.5821 0.8713 0.7372 1.2643 1.1411 1.8987 1.0564 0.9404 1.1977 3.6555 2.9193 3.9003 3.8731 3.9245 3.0590 1.9299 1.8675 nervonate (24:1n9) Nervonic acid 0.7000 0.6441 0.7594 0.9882 1.0672 1.1606 0.7814 0.8447 0.7580 0.6956 0.5679 0.3349 1.5351 0.8146 0.6429 0.7489 0.5848 0.7145 1.0529 1.6085 1.0118 0.9475 1.0527 2.6589 1.7839 1.8365 1.8923 2.1541 2.6288 1.6891 2.0322 N-formylmethionine N-Formylmethionine 0.7462 1.0918 1.1520 1.3108 1.1509 1.2843 1.5782 0.9623 1.2151 1.2286 0.7210 1.2065 2.8433 0.8878 1.0377 0.3465 0.9506 1.3883 1.2121 0.7168 1.9293 1.4264 1.6682 0.3543 0.5029 0.3930 0.3955 0.5189 0.2421 0.3173 0.0781 N-formylphenylalanine N-Formylphenylalanine 0.8152 0.8005 0.9030 1.1324 0.8577 0.9809 1.5918 1.0272 0.5536 1.0549 0.8710 1.2686 1.0991 0.8825 1.0696 0.9649 0.8902 1.5381 1.0191 1.1469 1.4192 1.2531 1.5615 0.2687 0.6834 1.1241 0.9138 1.0298 0.8773 0.3525 0.2607 N-glycolylneuraminate N-Glycoloylneuraminic acid 0.9278 2.0658 1.5133 1.2300 2.1733 1.3962 0.2091 1.0050 1.1367 1.1740 0.8233 0.6630 11.3187 0.7372 1 1.5274 0.4621 0.2619 0.4828 0.6596 0.2091 0.6376 0.2091 4.7429 1.7235 0.8360 0.2091 1.2508 2.1032 0.7887 0.6103 nicotianamine (R,S,S)-Nicotianamine 0.9754 1.0237 1.0560 1.0338 0.9400 1.0869 0.9389 1.0196 0.8690 1.0539 1.0376 1.1296 1.0399 1.0100 0.9827 1.0091 1.0499 0.9990 1.0797 0.5087 1.0641 1.0010 1.0293 0.5385 0.3691 0.1787 0.2634 0.2998 0.0554 0.6458 0.0039 nicotinamide Niacinamide 0.9262 0.9065 0.9630 0.7714 0.9981 1.0439 0.8190 0.8958 0.9772 1.0828 1.0019 1.0840 1.4133 0.9329 1.0158 2.2528 1.1226 0.9363 1.1627 1.1002 0.7401 0.9818 0.9668 0.8744 0.8410 1.0795 1.1091 1.3244 1.1292 0.4581 1.2861 nicotinamide riboside Nicotinamide riboside 0.7921 0.8178 0.7898 0.9516 0.7758 0.8036 0.7782 0.9499 0.7982 0.9478 0.7769 1.3961 2.4014 0.8331 0.8651 4.9708 1.6567 1.2320 1.1912 0.5757 1.3156 1.0484 1.5788 3.5151 1.0653 1.0529 1.4129 1.3431 0.7244 1.1424 0.1905 nicotinate Nicotinic acid 0.8143 0.7881 0.6491 0.6350 0.5086 0.7154 1.4417 1.0966 0.7456 1.0327 0.9201 0.9526 1.0155 0.5297 0.9078 1.5883 1.4739 1.1724 1.4936 0.7282 1.0615 1.4783 1.9790 2.7683 0.8138 1.0843 1.3273 1.0824 0.7829 0.9845 0.3871 nicotinate ribonucleoside D-Ribosylnicotinate 1.0278 0.9489 1.1545 1.1922 1.1450 1.1125 1.1186 0.9018 0.9049 0.9458 1.2628 1.0581 1.4336 0.9304 1.0381 1.5934 1.4127 1.0124 1.2058 0.7093 0.9043 1.0251 1.1660 0.9824 0.1206 0.4106 0.4238 0.6856 0.1886 0.9876 0.0548 N-methyl-GABA 4-(Methylamino)butyric acid 0.7587 0.5576 1.0063 1.1255 0.8396 1.4422 0.9937 1.0748 1.1017 1.6941 0.9017 1.2198 0.9197 1.2577 1.7084 0.6530 1.0503 2.1611 1.4721 0.8476 1.6429 1.6919 1.7283 0.4824 0.4922 0.2475 0.3767 0.6114 0.1984 0.8991 0.1157 N-methylglutamate N-Methyl-glutamic acid 0.8766 0.6397 0.7576 0.9334 0.9321 1.1434 1.0633 1.1126 0.7612 1.4986 0.7736 1.5073 1.2645 1.2534 1.4185 1.2168 1.3707 1.9539 1.5697 0.4195 1.5256 1.8061 1 0.1742 0.2279 0.2554 0.1742 0.3293 0.1742 0.6388 0.1742 N-methylproline N-Methyl-proline 0.4788 1.0137 1.1943 1.4338 0.5002 1.0903 1.2252 0.2177 0.2177 0.2177 1.3549 0.2177 0.4895 0.2177 0.2177 0.2177 0.9656 0.3685 0.2177 0.8947 0.2177 1.1837 0.2177 0.4268 0.6218 0.8804 1.4871 1.1610 1.6711 1 0.4140 N-monomethylarginine Targinine 0.8046 1.1392 0.6907 0.9375 1.0281 1.0701 1.6527 0.6887 0.5290 0.5505 0.7390 0.5769 0.7886 0.6925 0.3886 0.1178 1.0026 0.9492 1.0862 1.3538 1.1957 2.0285 0.9974 0.4001 1.5215 1.7060 2.0103 1.5927 2.5344 1.2264 1.2407 N-oleoyltaurine N-Oleoyl taurine 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.1934 0.8183 0.1934 1 1.0278 0.5682 3.5918 0.1934 4.0833 nonadecanoate (19:0) Nonadecylic acid 0.6498 0.7676 0.6858 1.0950 1.3299 1.2240 0.7436 0.6323 0.7499 0.7450 0.7083 0.4868 1.3483 0.8830 0.6235 0.6987 0.8246 0.6453 1.0759 1.8021 0.9855 1.0145 0.7482 2.9307 1.8712 1.7481 2.1695 1.8340 3.0759 1.5867 2.3524 N-palmitoylglycine N-Palmitoyl glycine 0.3506 0.3506 0.3506 0.3506 1.2277 0.3506 0.4777 0.3506 0.3506 0.3506 0.3506 0.3506 0.5503 0.7043 0.3506 0.3506 0.3506 0.3506 0.3697 1.0681 0.3506 0.3506 0.3506 0.7509 0.3506 1.2964 1.2633 1.1442 1.3058 0.9319 3.2586 N-palmitoyl-sphinganine (d18:0/16:0) Cer 18:0;O2/16:0 1.0606 1.9220 0.8353 0.9824 1.0176 1.2575 1.4935 0.8725 0.7633 0.7237 0.6837 0.5003 1.4844 0.6501 0.5784 0.4548 0.7433 0.4636 0.5878 1.4484 0.7236 1.2970 0.4889 1.2652 1.8580 3.6097 3.1958 2.6886 8.6130 1.4514 6.8167 N-palmitoyl-sphingosine (d18:1/16:0) Cer 18:1;O2/16:0 0.9336 1.6412 1.0184 0.9126 0.9816 1.2518 1.5802 0.7433 0.8175 0.8081 0.5998 0.4600 1.1699 0.8136 0.6908 0.8097 1.1113 0.6489 0.6937 1.4316 0.8453 4.3590 0.5851 1.8819 1.5442 3.6418 3.0011 2.5737 6.7333 1.5863 6.9369 N-stearoyl-sphingosine (d18:1/18:0) Cer 18:1;O2/18:0 0.8139 1.3978 0.6509 0.3904 1.0344 1.6047 1.9818 0.2596 0.6688 0.3923 0.2596 0.2596 0.8963 1.1206 0.3578 0.6208 0.9656 0.3073 0.5258 0.7034 0.8016 14.7340 0.3422 1.8042 1.6119 3.7211 2.9057 2.4775 6.4224 1.8899 5.6395 octanoylcarnitine CAR 8:0 0.9213 1.3337 1.0043 0.9017 0.9051 1.4576 1 0.7571 1.2615 0.9181 0.5133 0.4644 0.1856 0.7074 0.5165 0.1856 1.4428 0.8508 1.1333 1.1462 0.8231 2.6036 0.8388 0.1856 2.2338 1.1664 1.4585 2.5799 1.5397 2.0799 0.6577 oleate/vaccenate (18:1) Oleic acid 0.5012 0.4930 0.4916 0.7293 1.8553 0.8506 0.9700 0.5199 0.4544 0.2997 0.5199 0.2264 1.3874 1.2880 0.4258 0.6668 0.4761 0.8891 1.0300 3.5241 1.1607 1.0735 0.8354 5.5369 3.3308 3.3719 3.3032 2.6435 8.0560 1.6429 7.2585 oleoylcarnitine CAR 18:1 1.0140 1.5799 0.2251 0.2289 0.5842 0.9769 1.3601 0.3506 0.1421 0.2255 0.2126 0.1421 0.2060 0.9860 0.1421 0.5844 2.6987 0.2073 0.6157 1.7977 0.2766 3.5479 0.2063 1.8596 4.1622 7.2529 5.6693 4.2217 23.3530 2.9562 9.2071 oleoylcholine Oleoylcholine 0.4267 0.4267 0.4267 0.4267 0.7239 0.4267 1.2204 0.4267 0.4267 0.4267 0.4267 0.4267 0.4267 0.8028 0.4267 0.4267 0.4518 0.4267 0.4267 0.4267 0.4267 1.1991 0.4267 1 0.6019 3.9561 1.6677 1.3659 7.9150 0.7522 13.4870 oleoyl ethanolamide Oleoyl-EA 0.5964 0.9119 0.6095 0.8195 0.9174 0.8943 0.9851 0.8665 0.5525 0.4166 0.6468 0.3955 1.5114 0.9395 0.5934 0.8904 1.0404 0.6966 1.4280 2.0780 1.0149 1.5191 1.0870 3.5617 2.2933 2.9135 2.0340 2.7490 3.0102 2.2000 2.6428 oleoyl-linoleoyl-glycerol (18:1/18:2) [1] DG 18:1_18:2 0.7187 0.5930 1.0587 0.7713 0.9734 0.6394 1.3822 1.1380 1.4048 0.7341 0.8744 0.5376 1.1046 1.2003 1.1625 1.3554 1.0536 0.5476 1 0.3124 0.8542 0.7251 0.8416 0.1898 1.3910 1.1495 1.0225 1.3789 4.1334 0.6635 3.0746 oleoyl-linoleoyl-glycerol (18:1/18:2) [2] DG 18:1_18:2 1.2718 0.9571 1.0433 1.0548 1.2914 0.8280 1.3513 1.1461 1.1887 0.8411 1.0328 0.8098 2.0826 1.6845 1.2123 1.5891 0.9672 0.7750 1.2695 0.4006 0.8892 1.0927 0.9059 0.2308 0.9326 0.6706 0.7523 0.6271 2.9154 0.4367 1.1735 O-methyltyrosine O-Methyltyrosine 1.0559 1.0767 0.8631 1.1991 1.0654 1.0844 1.0360 1.0234 0.7879 0.7966 0.7976 1.0405 1.3075 1.1470 0.9669 0.9766 0.9534 1.0307 1.2537 0.7763 1.2791 1.1487 1.0799 0.5612 0.6134 0.2548 0.4780 0.6642 0.2548 0.8388 0.2548 ornithine Ornithine 0.7441 0.6573 0.5962 0.6119 0.9462 0.8098 0.9860 0.5760 0.5013 0.5753 0.6632 0.5504 69.4591 0.7086 0.5115 4.3878 0.8480 1.0140 1.4511 3.6685 1.2990 1.9777 0.8601 17.2262 4.6616 20.1888 13.6954 10.1234 23.9969 5.0314 21.2799 orotate Orotic acid 0.9612 0.8594 0.9540 1.1145 1.0388 1.1430 1.3680 1.2404 0.9597 1.1050 1.0967 2.7994 0.8804 1.1383 1.2721 0.8965 1.6033 1.5350 2.3667 0.7317 1.4932 2.0655 1.7079 0.1079 0.5683 0.2653 0.3651 0.4868 0.1098 0.8637 0.0223 orotidine Orotidine 1.0646 1.4968 1.1930 1.1933 1.1823 1.5602 1.3040 1.3933 1.3680 1.2063 0.8608 0.9420 1.4287 0.8216 0.9570 0.8929 0.9439 1.8344 1 0.5512 1.2742 1.4125 1.1647 0.5727 0.7482 0.3319 0.4690 0.5509 0.3182 0.8069 0.1341 O-sulfo-L-tyrosine Sulfotyrosine 1.3142 2.3651 0.9397 0.7659 0.9604 1.2960 2.0119 1.5345 1.5108 1.2977 0.8080 0.8282 1.6703 0.4200 1.2936 0.0898 0.6965 1.9216 0.6808 1.0137 0.6107 1.0625 1.0086 0.3630 1.9725 0.9101 0.9718 1.3797 0.9914 1.5495 0.6270 oxalate (ethanedioate) Oxalic acid 0.7875 0.9763 0.8168 0.7411 0.8112 0.8139 1.0719 1.0237 0.6837 0.8872 0.9519 0.9586 1.3439 1.2331 0.9269 1.2176 0.8610 0.8661 0.8660 2.9497 0.9346 1.4714 0.9576 10.6580 4.7472 6.2332 8.4172 9.1633 5.3430 4.2786 4.4622 palmitate (16:0) Palmitic acid 0.6663 0.6534 0.7577 0.8436 1.5169 1.0184 0.9474 0.6079 0.6564 0.6006 0.8296 0.4444 1.1976 1.3500 0.5449 0.6441 0.6632 0.8549 1.1021 2.3695 1.0485 0.9816 0.8087 2.2110 2.2117 2.1350 2.2425 2.1867 3.7245 1.6288 3.4997 palmitoleate (16:1n7) Palmitoleic acid 0.5738 0.6199 0.4934 0.5943 1.7054 0.8754 1.0478 0.6426 0.6817 0.3633 0.4918 0.2312 0.9489 1.1241 0.4838 0.7451 0.6861 1.1739 0.9522 3.2789 1.1471 1.3335 0.9110 6.9410 5.7165 5.0865 4.7327 3.8854 10.2062 1.8974 11.0370 palmitoleoylcarnitine CAR 16:1 1.9756 2.8735 0.8430 0.6985 0.7397 1 1.8088 1.1624 0.7637 0.4270 0.5749 0.2823 0.2823 0.4526 0.5593 0.5864 1.8183 0.9961 0.7353 2.0396 0.6944 1.4567 1.2989 0.4499 4.8531 5.5305 6.4791 5.5062 9.9566 3.3808 4.0963 palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1] DG 16:1_18:2 0.9879 0.5195 0.8261 0.8070 0.9286 0.8989 1.0121 1.0725 1.0903 1.0131 0.8865 0.7978 0.5823 1.3086 1.3855 0.7798 0.5336 0.7527 1.0914 0.7121 0.3946 1.3297 1.2239 0.3946 1.1683 1.1044 1.3352 1.1092 2.7551 0.7316 2.5903 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2] DG 16:0_20:4 1.0955 0.9653 0.9125 0.8394 0.2305 0.4320 0.7767 1.2600 1.1613 1.8783 0.9305 1.4077 1.0065 1.6193 1.6718 1.4858 1 0.3720 0.5527 0.2305 1.2864 1.3547 0.9894 0.4035 0.2305 0.5361 0.2305 0.2305 2.2306 0.2305 1.4610 palmitoylcarnitine CAR 16:0 1.2136 2.1184 0.3726 0.5087 0.7284 1.1064 1.7259 0.6608 0.4505 0.3934 0.4089 0.2707 0.2532 0.8936 0.3068 0.6261 2.1604 0.2767 0.6456 1.4109 0.4051 4.6796 0.2215 1.8048 3.7680 5.9271 4.8851 3.4325 18.5866 2.5884 8.6991 palmitoylcholine Palmitoylcholine 0.6794 0.4879 0.6904 0.4879 0.8338 0.4879 1.2193 0.9009 0.7562 0.4905 0.5393 0.4879 0.4879 1.0698 0.9277 0.9119 1.0874 0.7640 0.5256 1.4186 0.4879 1.0379 0.4879 1.7738 1.7472 4.9677 2.9582 2.2674 9.2665 2.1510 17.5894 palmitoyl dihydrosphingomyelin (d18:0/16:0) SM 18:0;O2/16:0 1.1126 2.2100 0.8860 0.8731 0.9833 1.1489 1.3637 1.0167 0.8914 0.8060 0.7630 0.5354 1.6868 0.6480 0.6567 0.7079 0.8575 0.4554 0.6468 1.5207 0.6678 1.8748 0.4964 1.9937 2.2914 3.5526 3.4100 2.9260 9.0971 1.6547 4.8411 palmitoyl ethanolamide Palmitoyl-EA 0.9109 0.8188 0.4906 0.5854 0.8179 0.9959 1.0650 0.6482 0.5489 0.6306 0.8131 0.5828 0.9055 1.5847 0.5324 0.9641 1.7450 1.0041 1.1244 1.4509 0.9311 2.3187 0.7692 1.7193 1.8951 2.9531 2.1394 2.2407 3.9056 1.7558 3.9894 palmitoyl-linolenoyl-glycerol (16:0/18:3) [2] DG 16:0_18:3 1.2685 0.5160 0.9445 1.0610 0.9213 0.6023 1.3356 0.6649 0.5237 0.6870 1.0705 0.5684 1.4764 1.3586 1.4147 1.9464 1.0607 0.5160 1.4534 0.5160 0.7913 0.5160 0.8973 0.5160 1 0.5160 0.5160 0.5160 2.7682 0.5160 0.6088 palmitoyl-linoleoyl-glycerol (16:0/18:2) [1] DG 16:0_18:2 0.5337 0.2046 1.0082 0.7464 0.9896 0.5735 1.7055 0.8344 1.0274 0.7441 0.4503 0.7866 1.1068 1 1.0327 1.8030 1.5263 0.9419 0.6993 0.2046 0.9489 0.4684 1.4070 0.2046 1.7518 1.0962 1.3176 1.7369 5.4424 0.2932 4.1589 palmitoyl-linoleoyl-glycerol (16:0/18:2) [2] DG 16:0_18:2 1.1403 0.9237 1.0381 1.0505 1.2739 0.7334 1.3505 1.0039 0.9286 0.8811 0.9632 0.8898 1.6137 1.5438 1.2559 1.4995 1.1338 0.8384 0.9961 0.3562 1.0608 1.1150 1.2534 0.2441 0.9163 0.6379 0.5953 0.5983 2.7987 0.3615 1.1433 palmitoyl-oleoyl-glycerol (16:0/18:1) [2] DG 16:0_18:1 1.1705 0.9685 1.2003 1.2424 1.1857 0.9666 1.6935 1 1.0127 0.7498 0.8986 0.8001 1.2920 1.5062 1.1638 1.4502 1.2954 0.8954 0.9591 0.3635 1.3397 0.9999 1.6446 0.1110 0.7898 0.5950 0.4950 0.5166 2.8388 0.3001 1.3324 palmitoyl sphingomyelin (d18:1/16:0) SM 18:1;O2/16:0 0.9298 1.7447 0.9457 0.7861 0.9497 1.1675 1.3893 0.7974 0.8447 0.7617 0.5901 0.4485 1.3645 0.8030 0.6795 1.0436 1.0632 0.5643 0.7351 1.8517 0.7248 5.1660 0.5300 3.3255 3.2567 5.9215 5.3682 4.1240 12.0605 2.8848 8.2871 pantothenate Pantothenic acid 0.2934 0.6535 0.4234 0.3787 0.4086 0.4951 1.1708 0.3853 0.3954 0.2688 0.1909 0.4504 2.5173 0.1863 0.2776 4.4097 1.1618 1.2707 1.5190 0.7711 1.2654 1.6716 1.6619 7.5758 0.8984 2.1588 1.6476 1.1016 2.0701 0.8436 1.3208 p-cresol-glucuronide P-Cresol glucuronide 0.6741 0.8182 0.7670 1 0.7446 0.9102 0.6655 0.5999 0.7497 0.7112 0.6251 0.6092 0.9545 0.4512 0.6863 1.0376 1.5694 1.5896 4.0406 6.4450 0.8982 1.3355 2.3341 6.3834 19.3287 28.3139 30.7645 33.3236 15.6785 31.2238 18.4232 p-cresol sulfate p-Cresol sulfate 0.0157 0.0157 0.0157 0.0157 0.0157 0.0157 0.0157 0.0157 0.0157 0.0157 0.0157 0.0157 0.0157 0.0157 0.0157 0.0157 0.0292 0.0294 0.1393 0.9907 0.0361 0.0754 0.0964 1.0093 2.2445 4.2118 3.8335 4.5670 2.8010 2.4272 3.5228 pentadecanoate (15:0) Pentadecylic acid 0.7261 0.8744 0.7665 0.9298 1.1582 0.9648 0.8334 1.0231 0.9462 0.7280 0.8355 0.5974 3.9516 1.0380 0.6902 2.7533 0.7842 0.7192 0.9893 1.7142 0.9708 1.0107 0.8887 21.7194 1.7455 1.5662 1.7077 1.6756 2.5055 1.3043 2.5104 phenylacetate Phenyl acetate 0.1092 0.1092 0.1092 0.1092 0.1092 0.1092 0.1092 0.1092 0.1092 0.1092 0.1092 0.1092 0.1092 0.1092 0.1092 0.1092 0.3320 0.5455 1.5479 1.0546 0.5087 0.4692 1 0.7667 1.7328 2.9955 2.2295 2.9624 1.9296 3.0046 0.4178 phenylacetylglycine Phenylacetylglycine 0.6296 0.8239 0.5613 0.6535 0.5744 0.6375 0.4550 0.7326 0.9152 0.6437 0.4651 0.4889 1.0848 0.4913 0.6300 0.8611 1.6860 2.2221 2.5200 6.2808 1.1524 1.6097 2.7409 20.7935 12.6552 27.6354 27.6822 21.5616 5.0959 14.9133 4.3009 phenylalanine Phenylalanine 0.8975 1.2603 0.7965 0.7680 0.9531 1.2823 1.9869 0.9576 0.5004 0.6305 1.1255 0.9144 0.2423 0.9603 0.6794 0.4776 0.7919 1.1439 0.7709 2.4776 1.1373 2.5310 1.0397 0.3349 3.2263 3.3576 3.6159 3.2135 3.2053 1.7663 0.7046 phenylalanylalanine Phe-Ala 1.3793 1.3778 0.9249 0.5321 0.5426 0.6222 1.3002 1.2749 0.6431 1.4383 0.8146 1.0751 0.0892 2.1846 1.1518 0.4155 0.7347 0.3342 0.5210 2.8962 0.4152 1.5420 0.2517 0.0584 5.1290 10.2825 9.9151 7.6911 8.1175 3.6164 0.2479 phenylalanylglycine Phe-Gly 0.8389 1.0879 0.7526 0.4999 0.4494 0.5438 0.9651 1.0474 0.4028 1.1603 1.0349 1.2343 0.1324 1.1778 1.0467 0.6994 0.7927 0.6336 0.7063 2.5148 0.3534 2.0196 0.3698 0.0725 2.5073 4.9599 4.4656 3.9122 5.3788 2.1624 0.3099 phenyllactate (PLA) Phenyllactic acid 0.7905 0.8982 1.0400 1.3757 1.1384 1.2173 1.6387 0.6918 0.9808 0.8157 0.5852 1.4921 0.1523 1.0311 0.9595 0.5940 1.6096 2.3973 1.8416 1.4376 3.6881 2.5245 2.9684 0.2654 1.0192 0.7288 0.7592 1.2401 0.4281 0.9108 0.1243 phenylpyruvate Phenylpyruvic acid 0.1585 0.3785 0.3547 0.2234 0.2568 0.1776 0.3577 0.4082 0.3637 0.5722 0.2060 0.2631 0.1775 0.1766 0.3318 0.7201 1.9525 1.5143 3.8712 3.4579 1.2799 5.3522 1.6462 2.6271 5.1445 8.7750 4.7108 4.8924 3.5461 3.5320 3.6828 pheophorbide A Pheophorbide a 1.3290 1.4815 1.2686 1.1219 1.1449 1.3512 1.1808 1.1473 1.2996 1.1819 0.9280 1.0013 1.4498 0.9987 1.2602 1.4073 1.1575 0.9167 0.8238 0.6688 1.0116 0.9529 0.7157 0.3211 0.3290 0.4919 0.3827 0.3818 0.4970 0.4386 0.4086 phosphate Phosphoric acid 0.3799 0.7925 0.7775 0.7145 0.5005 0.3880 0.9767 1.0233 0.7217 1.4838 0.5602 1.1173 1.1189 0.5023 0.9685 0.8703 1.3449 0.6405 1.2314 1.6026 0.4265 1.5178 0.6016 3.7689 2.4599 2.2138 3.1019 2.5772 2.2323 1.3054 0.7633 phytosphingosine Phytosphingosine 2.1899 2.7279 1.0044 1.5766 1.4316 1.5652 2.1309 0.9956 1.5313 0.8891 0.5049 0.5224 1.7648 0.5691 0.8702 1.7635 1.5983 0.8056 1.0514 0.7703 1.3097 1.3033 1.2085 1.6846 0.9831 0.7309 0.9382 0.7915 0.7370 0.7577 0.1953 picolinate Picolinic acid 0.8223 0.8376 0.6656 1.0180 1.0247 0.9161 1.2471 1.1827 0.8579 0.9820 1.2696 1.5559 4.7262 0.9484 0.9787 1.5959 1.3759 1.5344 1.2784 0.8278 1.7471 1.1727 1.8286 1.3753 0.6288 0.8421 0.7864 0.8475 0.6812 0.8208 0.3158 pinitol Pinitol 0.8302 0.9932 0.9804 1.2216 0.9392 1.0442 1.0480 1.0762 0.9545 1.0929 1.0068 1.1868 1.4006 0.8750 1.0133 1.1335 1.2058 1.1315 1.2917 0.5862 1.2648 1.3144 1.3405 0.6947 0.4621 0.1953 0.3167 0.3725 0.0666 0.7035 0.0032 pipecolate Pipecolic acid 0.4355 0.5701 0.7711 0.6754 0.5625 0.7926 0.7903 0.6383 0.6721 0.8088 0.4788 0.9719 2.3400 0.5830 0.6679 2.2604 1.5638 1.6916 2.1181 1.1659 1.1588 1.4653 1.5700 1.7176 1.2922 1.0281 1.3495 1.4712 0.6200 1.6014 0.3686 pro-hydroxy-pro Pro-hydroxyPro 4.3750 3.7375 5.2813 5.8426 5.3382 5.6370 3.4816 4.4840 2.5537 5.0026 4.6017 4.4015 7.3461 4.3248 3.9693 0.0785 0.1193 0.7548 0.1929 0.5257 1 0.5959 0.8640 0.3510 0.4439 0.1470 0.1495 0.2290 0.0305 0.3164 0.0085 proline Proline 1.8826 2.0519 2.2197 1.9617 1.5938 2.4396 2.6285 1.7741 0.8266 1.8663 1.8447 1.3765 3.2934 1.1344 1.0180 0.3658 0.5027 0.7296 0.4627 0.7794 0.5975 1.2536 0.5799 0.5841 0.8487 0.8114 0.8756 0.7173 0.9820 0.5261 0.2925 prolylglycine Pro-Gly 2.1062 2.1675 2.5894 2.9570 2.4939 2.4969 2.6609 2.2955 1.2295 2.2448 2.6208 1.9067 1.0901 1.9680 1.9287 0.3900 0.2011 0.4562 0.2034 0.7269 0.5561 1.0634 0.5327 0.2660 0.7341 0.7675 0.8056 0.9366 0.6689 0.5423 0.0590 propionylcarnitine CAR 3:0 1.1425 1.4613 0.9425 0.9158 0.9911 1.0562 1.5307 1.0444 0.8033 1.1300 1.1041 1.0451 0.7849 1.2148 0.9959 1.1828 0.4892 0.5953 0.7112 0.9254 0.5057 0.8236 0.4652 0.5470 1.6730 1.3471 1.6402 2.6999 2.0358 0.9754 1.0041 pseudouridine Pseudouridine 2.9269 0.6528 0.5379 0.7501 0.4233 0.2772 0.8633 1.4310 0.6999 1.8272 2.2760 1.4198 0.2715 0.9922 1.8101 2.3628 0.4474 0.6390 0.3533 1.0078 0.3747 0.8665 0.8246 5.1531 1.2706 3.6532 2.7181 2.1508 7.9080 0.9084 5.9952 putrescine Putrescine 0.3140 0.4886 0.4372 0.6006 0.5087 0.4559 0.7967 0.7509 0.3699 0.8144 0.6607 1 1.0525 0.5884 0.7838 21.9398 1.1584 1.2453 1.1209 1.3215 1.1084 0.8840 0.9614 25.9444 1.8433 1.4294 1.0828 1.6537 1.2355 1.1566 1.1694 pyridoxal Pyridoxal 0.7308 0.7395 0.6390 0.6712 0.6294 0.7839 0.9360 0.8480 0.6141 0.7963 0.8160 0.8091 3.4563 0.7057 0.7566 9.4117 1.1655 1.4785 1.1601 0.9067 1.2008 1.5724 1.2962 10.2925 1.2076 1.0640 1.4046 1.2761 1.0693 1.1607 0.7506 pyridoxamine Pyridoxamine 0.1913 0.2202 0.2078 0.2862 0.3273 0.2470 0.1731 0.2270 0.2171 0.1808 0.3212 0.3443 1.3959 0.3897 0.3653 2.7470 1.4128 1.0057 1.7138 1.0990 0.7171 0.9943 1.4436 10.3691 1.7669 2.7485 2.6003 2.8108 3.6527 1.3414 1.2434 pyridoxate 4-Pyridoxic acid 0.8578 0.7927 0.7702 1.0916 0.9389 1.0064 1.0981 1.2345 1.0221 1.1059 1.0490 1.1661 0.7603 0.9936 1.1470 1.1697 0.9606 1.3550 1.1879 0.4932 1.2434 1.2538 1.3247 0.6450 0.3987 0.1527 0.2006 0.2958 0.0943 0.5748 0.0311 pyridoxine (Vitamin B6) Pyridoxine 0.8652 0.8275 1.1737 1.1151 1.1794 1.2199 0.9062 0.9796 1.0204 1.2160 0.9149 1.2083 1.8702 0.9761 0.8950 3.4331 1.0248 1.3430 1.3445 0.4531 1.3385 1.2018 1.1729 2.7962 0.4806 0.2034 0.2676 0.4104 0.1468 0.5699 0.0358 pyroglutamine Pyroglutamine 0.8932 0.9184 0.8467 0.7425 0.7053 0.6582 1.2979 0.8435 0.7471 0.8942 1.0061 1.0099 1.1732 0.8877 0.4574 1.3254 1.0910 0.7761 1.3592 1.8633 0.9939 0.9914 1.1035 2.5599 2.1624 2.5165 3.2745 2.5967 1.5913 1.6600 0.9511 pyrraline Pyrraline 0.9544 0.8856 1.0995 1.1092 0.8666 1.2196 2.2611 1.0438 0.8742 1.0971 1.4284 1.1454 1.0002 0.7840 1.1295 0.8920 0.9443 1.8722 1.3612 0.9998 1.6553 1.1735 1.6909 1.0409 0.8551 0.9888 0.7236 0.6689 0.6631 0.7659 0.0979 pyruvate Pyruvic acid 0.6213 1.5433 2.0054 3.8531 3.4298 2.6363 1.8891 1.0250 1.0701 0.9750 0.4583 1.1432 0.2895 0.5233 0.5980 3.4414 10.3270 6.4937 10.9550 0.3559 5.4864 7.9143 1.3761 0.2065 0.2843 0.2381 0.3529 0.4732 0.2666 0.4162 0.0394 quinate Quinic acid 1.0108 1.1056 1.0706 1.0698 1.1025 1.0671 1.0532 1.0996 0.9249 0.9828 1.1809 1.0391 1.1582 0.9915 0.9493 0.9191 1.0869 0.9992 1.0957 0.7689 1.0773 1.0008 1.0777 0.2808 0.6324 0.3810 0.5716 0.5823 0.1722 0.8897 0.0112 quinolinate Quinolinic acid 1.1995 2.6785 1.1200 1 1.1550 1.5916 1.6911 1.2322 1.0270 1.1521 1.3653 0.9679 0.9944 0.7754 0.7999 0.4479 1.3064 1.7000 0.9522 0.5497 1.0404 1.1191 1.2718 0.2302 0.3435 0.1485 0.3808 0.3039 0.0407 0.9091 0.0407 raffinose Raffinose 21.6141 5.1058 1.5737 2.9935 1.8068 1.4438 0.8058 8.9343 3.3610 3.6510 37.9153 1.4903 0.2493 7.9867 7.6651 3.8486 0.5941 1.0078 0.5347 0.1735 0.8323 1 0.7203 0.4566 0.6876 0.1639 0.2956 0.2174 0.1367 0.1293 0.1028 riboflavin (Vitamin B2) Riboflavin 0.1267 0.1961 0.1267 0.1267 0.1267 0.1267 0.3136 0.1267 0.1267 0.1267 0.1267 0.1267 1.1224 0.1267 0.1267 1.9463 0.6236 0.9480 0.9619 0.9855 0.8362 1.2349 0.9852 4.0227 1.1581 2.4419 1.8927 2.1009 3.0268 1 0.9039 ribonate Ribonic acid 1.0994 1.0486 1.1642 0.9843 1.0268 1.1486 1.2325 1.2881 1.0898 1.2573 1.2134 1.3441 1.0627 0.9468 1.1585 1.2407 0.8274 0.9573 0.9442 0.6617 0.9560 1.0397 1.0157 0.5314 0.5042 0.2680 0.3736 0.4634 0.1144 0.8324 0.0202 ribose Ribose 0.6037 0.6701 0.4777 0.6143 0.6561 0.7087 1.1438 0.8205 0.4759 0.7693 0.6728 1.1320 1.9366 0.8731 0.7696 3.9594 1.4937 1.1269 0.8705 0.7453 1.3130 2.4705 1.5067 8.0886 1.1511 1.4201 1.5718 1.4260 2.7776 0.6441 0.5770 ribulose/xylulose Xylulose 1.1350 1.2550 1.0039 1.7540 1.3260 1.4483 1.8462 1.1297 0.9961 0.8484 0.8414 0.8601 4.5678 0.7533 0.7619 3.4107 0.9028 1.1064 1.0129 0.4052 1.5648 1.3279 1.1567 1.4845 0.2697 0.1715 0.2418 0.2296 0.1746 0.2786 0.0583 S-1-pyrroline-5-carboxylate 1-Pyrroline-5-carboxylic acid 1.2825 0.6012 0.7650 1.3272 0.8859 1.0629 1.1878 1 0.6836 1.0508 0.8743 1.0939 0.8856 0.7215 1.2378 0.4559 0.1248 0.9984 0.1248 0.5418 0.9836 1.7632 1.5030 0.8601 0.6422 1.3395 1.0804 1.0365 4.6992 0.8311 6.9405 S-(3-hydroxypropyl)mercapturic acid (HPMA) N-Acetyl-S-(3-hydroxypropyl)-cysteine 0.6484 0.9137 1.2262 1.2940 1.0276 0.8922 1.2477 1.1889 0.9921 1.1840 0.7652 1.2257 1.4417 0.5135 1.0926 1.6892 1.7597 1.5884 1.1793 0.5882 1 1.6264 1.2667 0.8973 0.8948 0.3129 0.4747 0.5905 0.2032 0.6761 0.1533 saccharopine Saccharopine 0.9178 0.9340 1.0270 1.0907 0.9416 1.0885 0.9804 1.0209 0.8023 1.0347 1.0475 1.1853 1.3649 0.9182 0.9514 1.3117 1.1398 1.0499 1.1556 0.4798 1.1255 1.0663 1.0196 1.1158 0.3831 0.1865 0.3140 0.3653 0.0778 0.6283 0.0032 salicylate Salicylic acid 0.5214 0.4590 0.6037 0.4429 0.5331 0.5741 0.5493 0.8318 0.8787 0.9922 0.6763 1.4035 1.8591 0.8749 0.7860 1.8693 1.1645 1.1512 1.2383 0.8797 0.7622 0.8838 1.3196 3.7404 1.3553 1.1352 1.1886 1.4722 1.3060 1.0078 1.2984 sarcosine Sarcosine 0.0961 0.0961 0.0961 0.0961 0.0961 0.0961 0.0961 0.0961 0.0961 0.0961 0.0961 0.0961 4.2478 0.0961 0.0961 1.8070 0.0961 0.0961 0.0961 0.0961 0.0961 0.0961 0.0961 0.1930 0.0961 0.0961 0.0961 0.0961 0.0961 0.0961 0.0961 sebacate (decanedioate) Sebacic acid 0.8090 0.6494 0.9345 0.8880 0.7573 0.6672 1.1360 1.0202 0.9282 1.1409 0.8417 1.2392 0.6600 1.1500 0.8044 0.7255 0.7770 0.8137 0.9660 0.8707 1.1916 1.0646 1.6174 1.2951 0.9798 1.7431 1.4030 1.8905 1.5092 1.0343 1.1903 sedoheptulose Glucoheptulose 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 0.4275 1 0.4275 0.4275 1.5905 0.4275 0.7079 serine Serine 1.0067 1.4796 0.9536 0.9793 1.0061 1.4068 2.3568 0.8398 0.4790 0.5183 1.4436 0.7998 0.1682 0.8804 0.5760 0.3994 0.7742 1.1018 0.6909 1.6060 0.9939 2.8049 0.9426 0.5090 1.8348 1.6261 1.8492 1.6061 1.7376 1.0367 0.2420 serotonin Serotonin 1.1657 0.8678 0.9603 1.1611 0.7640 0.7537 0.6719 1.0397 1.1696 0.7235 0.6799 0.6136 0.8889 0.6359 1.1354 1.5877 1.4536 1.3602 1.4031 0.5135 1.6449 2.2071 1.6481 0.5135 0.5135 0.5135 0.5135 0.5135 0.5135 0.5135 0.5135 sinapate Sinapic acid 0.7702 1 0.8889 1.1835 0.9232 0.8718 1.5581 0.7474 0.9673 1.0097 1.1097 0.8902 1.3439 0.6267 0.8271 5.7510 0.9576 1.0944 1.5884 0.7933 0.9403 1.1738 1.0050 14.8760 1.0234 0.9711 0.6437 1.0365 0.2620 1.1972 0.2620 soyasaponin I Soyasaponin I 1.0650 1.0097 1.0049 1.0952 0.8688 1.0338 1.2246 0.8869 1.0879 1.5059 0.7873 1.1033 0.8782 0.7813 1.6091 0.9527 0.9951 0.7754 1.2083 0.9129 0.7828 0.9121 1.4129 0.9694 0.8551 1.7258 1.1339 1.1893 0.9679 1.3507 0.3540 soyasaponin II Soyasaponin II 1.1257 1.0255 0.9269 1.0112 0.8298 0.9123 1.3811 0.8989 1.0449 1.4260 0.7665 1.1853 1.0439 0.8357 1.6085 0.9643 0.8675 0.7850 1.1154 0.8979 0.7980 0.8655 1.2986 1.2155 0.9130 1.8003 1.0944 1.1201 0.9888 1.3181 0.3477 soyasaponin III Soyasaponin III 1.0687 0.9721 0.9044 0.9282 0.7364 0.8406 1.3792 0.8230 1.0022 1.3398 0.6807 1.1279 1.0781 0.7737 1.5986 1.9755 0.8340 0.7222 0.9978 0.9564 0.7108 0.8532 1.1581 4.9283 1.0152 2.0194 1.1929 1.2128 1.1446 1.3184 0.4161 spermidine Spermidine 0.6746 0.8732 0.8538 1.0351 0.9682 1.1591 0.4681 0.7785 0.7428 0.6115 0.8899 0.8253 4.7571 0.9405 0.7048 2.5179 0.8142 0.9212 0.9141 2.5359 1.4272 1.0318 0.4701 19.8584 1.9887 2.4151 2.3842 2.7427 3.5650 2.5775 4.2871 spermine Spermine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 sphinganine Sphinganine 1.3788 1.7942 0.6145 1.0888 1.2092 1.2726 1.8576 0.5339 0.6667 0.4341 0.3968 0.2992 1.2046 0.4411 0.3592 0.6979 0.9641 0.5692 0.8723 0.9951 0.8804 1.0793 0.7682 1.8337 1.0098 1.2829 1.6143 1.1361 1.7063 0.8978 1.0049 sphingomyelin (d18:1/14:0_ d16:1/16:0) SM 32:1;O2 0.4851 0.6055 0.4083 0.4083 0.4083 0.9333 0.5238 0.4083 0.5413 0.4083 0.4083 0.4083 0.5755 0.5748 0.4083 0.4083 0.6704 0.4083 0.4083 1 0.4083 1.5910 0.4083 1.6828 2.0721 3.2209 3.0325 2.5958 5.4839 1.3452 5.7429 sphingomyelin (d18:1/15:0_ d16:1/17:0) SM 33:1;O2 0.4162 1 0.4495 0.3816 0.5174 0.8431 0.5291 0.3816 0.5958 0.3816 0.3816 0.3816 0.9554 0.4058 0.3816 1.2627 0.3816 0.3816 0.3816 1.3969 0.5093 2.7521 0.3816 3.8476 2.6521 4.0461 4.0214 3.2313 6.1731 1.9068 3.7002 sphingomyelin (d18:1/17:0_ d17:1/18:0_ d19:1/16:0) SM 35:1;O2 0.1965 0.1965 0.1965 0.1965 0.1965 0.1965 0.1965 0.1965 0.1965 0.1965 0.1965 0.1965 0.1965 0.1965 0.1965 0.4502 0.1965 0.1965 0.1965 0.1965 0.1965 1.1620 0.1965 1.4336 0.5196 1.3647 1.2112 0.8380 2.7432 0.7188 1.4761 sphingomyelin (d18:1/20:0_ d16:1/22:0) SM 38:1;O2 0.2760 0.6338 0.1977 0.1977 0.9327 0.7261 1.1490 0.1977 0.1977 0.1977 0.1977 0.1977 0.1977 0.9348 0.1977 1.0652 0.6455 0.4252 0.1977 0.3329 0.4069 11.1552 0.1977 1.2057 2.7222 2.5569 2.2926 1.7938 6.4438 1.0758 3.2040 sphingomyelin (d18:1/24:1_ d18:2/24:0) SM 42:2;O2 0.9380 0.8308 0.6104 0.4119 1.7095 1.6029 1.8802 0.8953 0.4874 0.5081 0.5809 0.2306 0.5127 1.9949 0.4863 1.5682 0.7730 0.7447 0.2306 3.2002 0.6786 16.3033 0.2493 11.4652 16.3453 14.2464 15.3977 12.8753 37.5563 13.0080 14.8612 sphingomyelin (d18:2/16:0_ d18:1/16:1) SM 34:2;O2 0.0934 0.0934 0.0934 0.0934 0.0934 0.0934 0.0934 0.0934 0.0934 0.0934 0.0934 0.0934 0.0934 0.0934 0.0934 0.1158 0.0934 0.0934 0.0934 0.3049 0.0934 0.8749 0.0934 0.6219 1.2154 1.0704 1.2498 1.3998 2.0053 0.9296 1.6715 sphingomyelin (d18:2/24:1_ d18:1/24:2) SM 42:3;O2 0.0622 0.0622 0.0622 0.0622 0.1691 0.1160 0.1828 0.0622 0.0622 0.0622 0.0622 0.0622 0.0622 0.1997 0.0622 0.1652 0.0622 0.0622 0.0622 0.4325 0.0862 1.8799 0.0622 1.6097 1.9233 1.8111 1.9204 1.5675 6.2154 1.6494 1.8676 sphingosine Sphingosine 1.1643 1.4949 0.6281 1.0686 1.1881 1.5128 1.3455 0.3606 0.9008 0.4118 0.2910 0.1888 1.8016 0.3944 0.3252 0.6502 0.9188 0.6053 0.6599 0.8089 0.9426 1.1069 0.7746 1.0949 1.1877 1.1894 1.2780 1.2774 1.5619 1.0574 0.8623 stachydrine Stachydrine 0.4731 0.3932 0.4268 0.4154 0.5473 0.8735 0.6411 0.5176 0.3915 0.6471 0.5217 0.5683 0.7758 0.4835 0.5055 1.1656 1.3533 1.4203 1.7201 1.3726 1.4628 1.2926 1.2955 1.6273 1.4132 1.9925 3.0359 2.0862 1.1031 2.1698 0.8969 stearate (18:0) Stearic acid 0.6685 0.7861 0.8221 0.9717 1.1842 1.1060 0.7916 0.6509 0.6849 0.7187 0.8220 0.5487 1.2924 0.9963 0.5562 0.6751 0.7050 0.7971 1.1259 1.8896 1.0420 1.0037 0.7499 2.0950 1.7556 1.8744 2.0865 2.0240 2.9720 1.5033 2.4964 stearidonate (18:4n3) Stearidonic acid 0.9038 0.3130 0.4849 0.6393 1.1930 0.7590 0.7644 0.6715 0.8650 0.2894 0.4689 0.1276 0.7854 1.0161 0.2923 0.6032 0.6715 1.3331 1.2247 2.7793 1.4048 1.0668 0.9839 1.6851 3.6452 2.6798 2.1065 1.9085 6.3639 1.3557 6.7836 stearoylcarnitine CAR 18:0 1.1291 1.9048 0.6641 0.8709 0.6655 1.1911 2.1199 0.6701 0.5966 0.5343 0.3866 0.2422 0.5539 0.6615 0.4312 0.4494 1.2439 0.3356 0.7248 1.6086 0.6590 3.6066 0.5187 2.6408 3.7747 5.7375 5.3253 3.9901 16.6136 2.5684 8.5474 stearoyl ethanolamide Stearoyl-EA 0.8766 0.6707 0.5893 0.4850 0.7277 0.9884 1.0768 0.5531 0.5282 0.6212 0.7260 0.6404 1.0424 2.0797 0.5808 0.7458 1.4688 0.7787 0.9653 1.0116 0.8031 2.1537 1.0288 2.0183 1.4906 2.2069 1.8243 2.2347 2.7673 1.3625 2.5228 stearoyl sphingomyelin (d18:1/18:0) SM 18:1;O2/18:0 0.6770 1 0.2564 0.2188 1.2509 1.1062 1.7237 0.6467 0.3579 0.4394 0.4929 0.2408 0.5610 1.4305 0.2233 1.2823 0.8869 0.5039 0.3877 0.9327 0.5280 15.8832 0.2188 1.9859 2.6992 3.6178 3.4667 2.4458 6.7731 2.1433 3.0273 stigmasterol Stigmasterol 0.4506 1.3807 1.4633 0.8431 0.7355 0.7918 0.6684 1.0910 1.5340 1.1164 0.6624 0.7336 1.3385 0.4506 1.1429 1.0782 1.0191 1.2618 1.0833 0.6521 0.6885 0.8554 0.6448 2.2633 0.9909 1.8201 1.0091 1.5385 0.8664 0.8158 0.4506 suberate (octanedioate) Suberic acid 0.7724 0.7926 0.8642 1.1937 1.0029 0.9971 1.1613 1.4426 1.0924 1.4369 1.2034 1.6994 0.8530 0.9547 1.4597 0.6814 1.0540 1.3103 1.1669 0.7586 1.3918 1.4067 1.1958 0.6393 0.5128 0.4277 0.4476 0.7538 0.3686 0.8058 0.1834 suberoylcarnitine CAR DC8:0 1.0710 1.1367 1.0282 1.0191 1.2616 2.6250 0.6224 0.8989 1.9353 1.9032 0.7229 1.0203 0.8720 1.0622 1.8457 0.3674 0.8016 1.8263 0.8077 0.3674 0.9689 0.6825 0.9420 0.8891 0.3674 0.3674 0.3674 0.4440 0.3674 0.9809 0.3674 succinate Succinic acid 0.3792 0.2812 0.2481 0.2303 0.3191 0.2942 0.5483 0.8312 0.4162 0.7962 0.9275 0.4937 28.7814 0.7532 0.6255 44.9284 2.1663 2.2439 2.2449 0.8382 1.0725 1.4507 1.3699 29.3905 10.8032 2.9869 2.5362 2.5819 4.4916 0.9201 1.7053 succinimide Succinimide 0.9215 0.8186 0.8481 1.2170 0.9623 1.3580 1.3979 0.9976 0.9766 1.1715 1 1.2006 1.2257 1.0185 0.9934 2.0747 1.3272 1.7723 1.6421 0.8612 1.5047 1.3651 1.3780 0.9398 0.6494 0.3388 0.4293 0.5220 0.3309 0.8769 0.3309 succinylcarnitine CAR DC4:0 1.1275 1.2973 1.2438 1.1910 0.8937 1 1.4849 0.1491 0.8675 0.9945 1.1719 0.1491 0.1491 0.7838 0.8947 0.1491 1.1605 1.0916 0.1491 0.2805 0.1491 1.2821 1.2879 0.1491 0.3779 0.1491 0.1491 0.1491 0.1491 0.3412 0.1491 sucrose Sucrose 6.4057 1.8133 2.0937 2.2035 1.1284 0.9198 0.8574 4.6646 2.2433 4.3094 6.8204 2.6155 0.4610 3.6609 5.7608 3.2531 0.8457 1.2664 0.6865 0.2859 1.0802 0.8902 1.2266 0.3823 0.3659 0.2003 0.2862 0.3283 0.0892 0.4267 0.0406 sulfate Sulfate 0.9299 0.9602 0.7090 0.9432 0.7787 0.8598 1.2065 0.9024 0.7504 0.9216 0.6565 0.9284 3.7593 1.7646 1.1462 3.7337 0.7939 0.7318 0.6232 3.5811 0.8580 1.0398 0.7637 9.6371 4.0835 6.5233 7.3837 6.5755 9.8491 3.0157 4.0240 syringic acid Syringic acid 0.9101 0.8198 0.6487 1.2519 0.8301 1.0157 1.6300 0.8117 0.7862 1.2474 1.3337 0.8278 1.0146 0.7042 1.5093 1.0712 0.7077 0.7177 1.2714 1.3420 1.0212 0.9846 1.3634 4.4246 0.8280 1.1079 0.7292 0.9854 0.4830 1.0882 0.2548 tartarate Tartaric acid 0.7084 1.1284 1.0123 1.2071 1.2055 0.8492 0.8106 0.9268 0.7892 1.3202 1.3273 1.2069 0.7717 1.0279 1 1.6296 1.0457 1.0464 1.0869 0.9170 1.0273 1.0095 0.9601 1.5457 0.6854 0.5151 0.7804 0.7424 0.1194 0.8869 0.1824 tartronate (hydroxymalonate) Hydroxypropanedioic acid 0.7917 1.0576 0.9099 0.9306 0.8460 0.6485 0.9978 1.2067 0.6823 1.1269 1.1981 1.0022 0.4821 0.8361 1.1304 1.0254 1.0148 0.6611 0.9710 1.1204 0.8007 1.2249 0.9113 2.0113 1.0670 1.1122 1.4611 1.5885 0.4730 1.3186 0.4377 taurine Taurine 0.7033 1.1784 0.5180 0.5085 0.6938 0.9800 1.4682 0.6876 0.5839 0.6229 0.5499 0.5722 1.8684 0.7603 0.4984 3.7085 0.9963 0.6729 0.9677 1.2829 0.9150 2.2334 1.0037 3.2949 2.0937 2.6434 2.3687 2.3076 5.6099 1.3268 4.3313 tauro-alpha-muricholate Tauro-alpha-muricholic acid 0.8331 0.0143 1.2128 2.1084 1.1609 0.7589 0.0143 0.4467 1.6809 1.9052 0.9794 0.7749 0.0914 0.8908 1.8049 0.2055 0.0143 1.0206 1.1510 1.7840 3.0569 2.2440 0.0143 0.0143 1.7204 0.4877 0.2389 0.9228 0.6382 1.7508 0.0143 tauro-beta-muricholate Tauro-beta-muricholic acid 4.2528 5.8067 0.6640 3.0563 1.3765 0.6448 21.2581 1.1168 1.0947 0.4245 1.2964 1.9849 0.0453 0.3929 0.5057 0.2420 5.4279 2.5548 2.2775 0.9053 4.3462 6.3554 30.7226 0.0348 0.6906 0.6999 0.5231 0.3494 1.4859 0.6634 0.5215 taurochenodeoxycholate Taurochenodeoxycholic acid 3.6641 4.0143 0.7262 2.5591 1.8271 0.7594 10.5280 0.6779 0.8370 0.4254 1.3074 1.3394 0.0441 0.5852 0.5322 0.2957 2.5930 2.4067 1.3285 1.1630 1.7897 2.6683 17.0819 0.0190 0.6677 0.7755 0.4259 0.3149 1.6702 0.5596 1.6652 taurochenodeoxycholate sulfate 0.9377 1.3571 3.2364 2.5281 1.4933 2.1888 0.6372 0.6843 2.3864 3.7797 0.8123 0.4150 0.7759 1.9533 2.9737 0.2995 0.4530 1.1051 0.3771 0.8712 1.7251 1.7964 1.2172 0.4678 1.2717 0.2775 0.2170 1.0623 0.3741 1.6396 0.0160 taurocholate Taurocholic acid 3.4716 4.8989 0.7695 3.2753 2.0828 0.7475 15.4387 0.9042 1.3325 0.6087 1.0630 1.3773 0.0319 0.5681 0.6456 0.2768 4.0289 2.6307 1.4198 0.9420 4.0044 5.2412 19.6169 0.0318 0.6121 0.4755 0.3832 0.3939 1.8688 0.6744 1.0580 taurocholenate sulfate Taurocholenate sulfate 3.6921 4.3912 0.7885 0.9490 0.5386 0.6348 4.7258 4.0485 1.0510 1.2585 3.6363 3.2305 2.3253 0.6590 0.8614 1.3754 3.5303 0.3693 2.7959 0.4380 0.5550 0.7318 2.9162 3.7569 0.5075 2.2883 3.2383 0.5051 0.3432 0.6309 0.2073 taurohyodeoxycholic acid Taurohyodeoxycholic acid 3.2321 4.4049 0.4827 3.0040 1.9730 0.6018 13.2973 0.3948 0.8519 0.2143 0.8943 1.3161 0.0955 0.4480 0.3122 0.0955 4.7266 3.1458 1.2637 1.2954 2.7435 4.8260 21.6121 0.0955 0.2860 0.4506 0.3980 0.1403 1.8316 0.3826 0.3810 tauroursodeoxycholate Tauroursodeoxycholic acid 3.9492 4.4421 0.7606 2.4055 2.0237 0.9041 14.6055 0.9946 0.9789 0.5389 1.7365 1.9250 0.0513 0.5660 0.6888 0.1855 3.5181 2.8576 2.0031 1.5369 2.4204 3.2424 21.8296 0.0275 1.0054 0.9292 0.6479 0.5217 1.6406 0.7758 0.8194 tetradecanedioate Tetradecanedioic acid 0.5180 0.6913 0.7811 0.5180 0.5180 0.5488 1.2533 0.5180 0.5180 0.5180 0.5903 0.5180 0.7550 0.6902 0.8243 1.0255 0.7643 0.9018 0.5180 0.5180 0.5180 0.9745 1.2739 2.1615 1.6375 1.6680 1.3956 1.7812 2.5693 0.5180 3.4607 thiamin (Vitamin B1) Thiamine 1.2715 0.8810 0.7591 1.1352 1.3208 0.9385 1.2454 1.2129 0.7644 1.1181 4.1100 0.7917 0.8320 0.6300 0.6591 0.2041 1.2379 1.3383 0.7617 0.7263 0.9595 0.9319 0.9992 1.4993 1.0328 1.0108 1.0226 1.0008 1.2758 0.5422 0.2017 thioproline Thioproline 0.8335 1.1351 1.3743 1.5144 1.3368 1.3426 1.7718 1.4897 1.0277 1.4292 0.9723 1.3459 3.5245 1.1645 1.4088 0.4123 0.2904 0.3272 0.3071 0.5485 0.3099 0.3338 0.2738 1.1750 0.4825 0.6030 0.4963 0.5311 1.0821 0.3925 1.0296 threonate Threonic acid 0.9055 1.2431 1.1911 1.3639 1.3725 1.2431 1.5891 1.1647 1.0325 1.1385 1.0690 1.1624 1.4241 0.9616 1.1265 0.6696 0.2013 1.5157 0.4079 0.1070 0.9994 1.0006 1.0484 0.0649 0.1144 0.1824 0.1727 0.2448 0.1557 0.1228 0.1455 threonine Threonine 1.9529 2.4934 2.3374 1.9472 1.6417 2.6887 3.4470 1.7196 1.2586 1.1856 2.1002 1.0494 0.9462 0.7633 0.9037 0.3642 0.6058 0.9154 0.4980 1.0464 0.8818 2.3734 0.8211 0.3462 1.2813 0.8228 0.9330 0.8012 0.9536 0.6115 0.1099 threonylphenylalanine Thr-Phe 1.0106 0.6281 0.9093 0.7189 0.7414 0.6922 0.7803 1.5449 0.6252 1.4053 0.8641 1.7206 0.7828 0.8028 1.3547 3.0049 1.6694 1.0934 1.8264 1.2191 0.7663 0.9871 0.8404 0.4180 1 1.3852 1.3043 1.1295 0.6972 1.4842 0.4180 thymidine Thymidine 1.7390 3.8378 0.3137 0.4373 0.8144 1.7424 10.1635 0.7839 0.1977 0.6848 2.2892 0.6676 1.2611 0.3677 1.9024 15.7288 3.5451 0.9944 1.2494 0.5375 0.3933 4.5995 1.0056 27.3606 0.7116 1.2548 0.7249 0.5871 1.5398 0.4666 0.9539 thymidine 5^-monophosphate TMP 0.5947 0.9483 0.5947 0.5947 0.5947 0.5947 1.0321 0.5947 0.5947 0.5947 0.5947 0.5947 0.7967 0.5947 0.5947 4.1105 0.5947 0.5947 0.5947 0.5947 0.5947 0.5947 0.5947 6.7230 0.5947 0.6090 0.5947 0.5947 1 0.5947 0.5947 thymine Thymine 0.6180 1.6869 0.4857 0.9447 1.0126 1.3971 4.0610 0.4496 0.2613 0.4811 0.4885 0.5065 1.5559 0.3172 0.5518 2.9992 2.2816 1.5490 1.8987 0.9874 1.5291 3.3777 1.9794 9.0224 0.7880 1.2228 0.7019 0.8100 1.1682 0.8116 0.3672 trans-4-hydroxyproline trans-4-Hydroxyproline 1.5112 1.3307 1.7548 1.6684 1.2327 1.8479 1.7423 1.4176 2.2380 1.7608 1.4862 1.3932 3.5125 1.3839 1.5664 0.7626 0.5618 0.7253 0.3428 0.2801 0.6966 0.6078 0.6365 0.8395 0.2310 0.1274 0.1249 0.1640 0.0992 0.1769 0.0760 trans-urocanate Urocanic acid 1.2296 1.2300 0.8635 1.4722 1.2704 1.1094 0.9635 1.0536 0.9396 1.0485 1.4738 0.8495 0.0758 1.0365 0.6252 0.3069 1.1564 1.5301 1.1397 0.6571 1.1833 1.6545 1.6974 0.2873 0.4315 0.1432 0.2186 0.3162 0.1721 0.5085 0.0408 tricarballylate 1,2,3-Propanetricarboxylic acid 0.6404 0.9984 1.2602 1.0820 0.9467 0.8024 1.0757 1.2831 1.0562 1.2829 0.7926 1.1946 1.8787 0.8403 1.1540 1.2203 0.9690 0.7905 1.2307 1.0016 0.8159 1.1494 1.2652 1.6128 0.7867 0.5918 0.5269 0.8786 0.1797 0.5335 0.2087 tricosanoyl sphingomyelin (d18:1/23:0) SM 18:1;O2/23:0 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 0.6358 1 0.6358 0.6358 1.9638 1.1358 1.3228 0.8536 1.7283 0.8295 0.9923 trigonelline (N^-methylnicotinate) Trigonelline 0.7654 1.0042 0.7073 0.6648 0.6544 0.8359 1.0946 1.1130 0.6588 0.8767 0.8169 0.7577 1.3174 0.5460 0.7055 1.0039 0.9182 1.3104 1.0715 1.5898 0.9940 0.8939 1.0817 2.0898 1.9988 2.0684 3.2969 3.1581 0.9961 1.8084 1.0689 trimethylamine N-oxide Trimethylamine N-oxide 2.0942 2.9217 0.8864 1.0361 1.0144 0.9329 2.4544 2.3180 0.8275 1.0222 2.1668 2.8846 0.3442 0.7910 0.6971 2.4380 1.1116 0.9088 0.6433 0.0589 1 0.6099 1.3100 2.6701 0.1747 0.0551 0.0564 0.0800 0.0551 0.0551 0.0551 tryptamine Tryptamine 0.5761 0.5761 1.0933 0.8414 0.5761 0.5761 0.7658 1.2304 0.9761 1.2555 0.5761 1.2981 18.8600 0.5761 1.1684 16.1398 1.1049 0.9824 1.4717 0.5761 1.0176 0.5761 0.9037 0.5761 0.5761 0.8139 0.5786 0.5794 0.5761 0.5761 0.5761 tryptophan Tryptophan 0.7569 1.0242 0.7718 0.8014 0.8210 1.1137 1.8228 0.9048 0.5299 0.5890 1.0748 0.8443 0.2827 0.7310 0.6492 0.3859 0.6352 0.9758 0.8995 2.1039 1.1409 1.9285 1.0903 0.3690 2.5778 2.5532 2.6626 2.5426 2.7601 1.4787 1.0339 tryptophylglycine Trp-Gly 1.2820 0.9324 1 0.7966 0.6588 0.8768 0.9451 1.5518 0.5548 1.5486 1.1923 2.1750 0.2478 2.2096 1.3763 0.4907 1.0644 1.1944 0.9062 1.0310 0.7175 1.1940 0.6565 0.1216 0.8501 1.2053 1.5712 1.2517 1.0846 0.7054 0.1216 tyramine Tyramine 1.0081 0.4864 1.0066 0.8907 0.7745 0.5321 0.7445 1.2252 1.1731 1.1376 0.8577 1.7459 6.3560 0.7614 1.4396 1.6683 1.2806 1.2962 1.1645 0.7860 1.1512 0.7037 1.3388 1.0291 0.7846 0.8531 0.6471 0.9934 0.4018 0.7445 0.1111 tyrosine Tyrosine 0.8593 1.2089 0.8671 0.7747 0.8683 1.2734 1.9310 0.8960 0.4903 0.5859 1.0835 0.7881 0.4510 0.7700 0.5867 0.5247 0.7440 1.0639 0.8329 2.6761 1.0384 2.5675 1.0390 0.3846 3.8202 3.8456 4.1630 3.6823 3.8485 1.9294 0.9616 tyrosylglycine Tyr-Gly 1.3337 1.7597 0.9818 0.8411 0.8163 0.9638 2.0997 0.8657 0.4738 1 1.2785 1.2289 0.1402 1.7303 0.8794 0.3914 0.8226 0.6609 0.7631 3.6068 1.0611 3.3422 0.4182 0.1402 5.4526 7.6156 8.3532 8.7250 8.8794 4.2025 0.5092 undecanedioate Undecanedioic acid 0.8635 0.4736 0.6801 0.7689 0.4870 0.9892 1.2510 0.8741 1 0.9901 0.9891 0.7933 0.9346 1.1880 1.0667 1.5123 0.9560 1.2319 1.2031 1.1266 0.8414 1.1375 0.4736 1.5737 0.8296 1.8385 1.0428 1.2613 1.2234 0.9195 1.8227 uracil Uracil 0.3990 0.7042 0.1378 0.3473 0.4685 0.5676 1.5591 0.5562 0.2256 0.5619 0.3733 0.4878 1.2732 0.6600 0.6753 3.3052 0.9921 0.7400 1.0529 1.0079 0.6808 2.3225 1.1438 11.2464 1.9709 4.4161 3.0461 3.0374 5.9308 1.4820 2.4820 urate Uric acid 0.9493 1.0701 0.9964 1.9549 1.8930 1.0003 1.2048 0.9578 0.9595 1.1329 1 1.0285 1.1145 1.8223 1.0218 0.1498 0.1111 0.1868 0.1111 0.1695 0.2306 0.3442 0.1749 1.0636 0.4714 1.3133 1.2866 0.8323 2.2154 0.4530 1.4471 urea Urea 0.5792 0.3826 0.1368 0.0295 0.1402 0.5709 0.0295 1.5727 1.4208 1.7905 0.4312 0.3171 0.0295 0.3442 1.9544 0.0295 0.4200 0.2315 0.0295 2.3214 0.0295 0.0295 0.0743 0.0295 2.7563 5.0145 5.7764 4.6624 4.3967 2.0273 3.3288 uridine Uridine 0.5887 1.0182 0.2796 0.4598 0.5996 0.4845 1.2047 0.4513 0.3382 0.4015 0.7201 0.3595 3.1973 0.3826 0.6665 22.5028 0.9818 0.7466 1.0896 2.3534 0.2840 1.1674 0.5727 90.1910 2.5535 16.6106 7.2833 3.0762 34.7345 1.3928 25.8305 valerate Valeric acid 0.2095 0.2095 0.2095 0.2095 0.2095 0.2095 0.2095 0.2095 0.2095 0.2095 0.2095 0.6063 0.2095 0.2095 0.2095 0.2095 0.2095 0.2095 0.2095 0.8719 0.2095 0.2095 0.2252 0.2095 0.6618 1.6850 1 1.4212 1.0076 1.1080 0.2095 valine Valine 0.8751 1.3784 0.9667 1.0167 1.0389 1.5601 2.5173 0.9002 0.4616 0.4747 1.2878 0.6132 0.6215 0.8392 0.4860 0.1979 0.6260 0.9833 0.5299 1.8784 1.0654 2.7359 0.8914 0.3127 2.1537 2.2379 2.4777 2.2639 2.4447 1.3440 0.1695 valylglutamine Val-Gln 0.8601 0.5093 0.7475 0.3341 0.3133 0.4206 0.5347 1.2794 0.4779 1.2166 1.0414 2.2844 0.1535 0.7615 1.2990 0.7848 1.2098 1.1383 1.1524 1.8834 0.6848 0.5992 0.9586 0.1106 1.2004 1.3557 1.2487 2.8274 1.1776 2.4611 0.0751 valylglycine Val-Gly 1.0655 1.1026 0.6141 0.6705 0.7383 0.7990 1.4346 0.7442 0.4888 0.6302 1.0521 0.9160 0.4065 1.4386 0.6476 1.7625 0.9479 1.0716 0.8422 2.0583 0.8815 3.3074 0.8615 0.3080 2.4785 2.9478 2.8957 3.1462 4.1797 1.6297 0.2299 valylleucine Val-Leu 0.9930 0.6691 1.3392 0.7855 0.5478 0.4919 0.7222 2.1923 0.9791 2.9615 1.0021 4.8673 0.8958 0.5600 2.8258 4.4220 1.5696 1.0188 1.7394 1.1100 0.5700 0.6408 1 0.5010 0.7548 0.0950 0.7810 1.1388 1.0959 1.9949 0.0950 vanillin sulfate 1.4656 0.9847 0.7322 1.5927 1.5336 1.3927 1.4707 1.3428 1.3026 1.7817 1.3050 1.8093 0.7789 1.4427 1.4797 1 0.9780 1.2547 0.8038 0.3106 1.4075 0.9643 1.2944 0.1178 0.2251 0.0932 0.1466 0.2302 0.0609 0.4492 0.0246 xanthine Xanthine 0.0989 0.6486 0.0756 0.3050 0.3653 0.9397 1.4772 0.0713 0.0545 0.0737 0.0515 0.0831 1.7252 0.1767 0.0877 1.6764 0.4249 0.5193 1.0755 2.3508 1.0603 1.8621 0.8685 11.1015 2.9547 8.5713 6.0153 5.4873 9.9165 2.8290 6.1261 xanthosine Xanthosine 0.1919 0.1919 0.1919 0.1919 0.1919 0.1919 0.1919 0.1919 0.1919 0.1919 0.1919 0.1919 0.1919 0.1919 0.1919 0.3990 0.1919 0.1919 0.1919 0.4471 0.1919 0.1919 0.1919 2.4413 0.4641 1.6091 1.1814 0.8186 3.7805 0.5693 3.8952 xanthurenate Xanthurenic acid 0.4400 1.1383 1 0.7390 0.9873 1.2709 1.1618 0.6208 0.2984 0.6097 0.2984 0.2984 3.5696 0.2984 0.3420 2.5202 0.2984 0.2984 0.2984 0.2984 0.2984 0.2984 0.2984 1.2836 0.2984 0.2984 0.2984 0.2984 0.2984 0.2984 0.2984 xylose Xylose 0.4851 2.0846 1.4632 1.4595 1.4367 1.5781 1.6671 0.2330 1.0304 1.4836 0.7728 0.7426 3.6330 1 1.1157 0.2330 0.9914 0.6534 0.2330 0.7549 0.6203 0.2330 1.1873 1.4360 0.6224 0.2561 0.4526 0.4395 0.2330 0.4698 0.2330