Metabolite_name RefMet_name OUHSCPD-1 OUHSCPD-10 OUHSCPD-11 OUHSCPD-12 OUHSCPD-2 OUHSCPD-3 OUHSCPD-4 OUHSCPD-5 OUHSCPD-6 OUHSCPD-7 OUHSCPD-8 OUHSCPD-9 OUHSCPD-13 OUHSCPD-14 OUHSCPD-15 OUHSCPD-16 OUHSCPD-17 OUHSCPD-18 OUHSCPD-19 OUHSCPD-20 OUHSCPD-21 OUHSCPD-22 OUHSCPD-23 OUHSCPD-24 OUHSCPD-25 OUHSCPD-26 OUHSCPD-27 OUHSCPD-28 OUHSCPD-29 OUHSCPD-30 OUHSCPD-31 OUHSCPD-32 OUHSCPD-33 OUHSCPD-34 OUHSCPD-35 OUHSCPD-36 OUHSCPD-37 OUHSCPD-38 OUHSCPD-39 OUHSCPD-40 OUHSCPD-41 OUHSCPD-42 OUHSCPD-43 OUHSCPD-44 OUHSCPD-45 OUHSCPD-46 OUHSCPD-47 OUHSCPD-48 Factors - Genotype:FTE (Normal) Genotype:FTE (Normal) Genotype:FTE (Normal) Genotype:FTE (Normal) Genotype:FTE (Normal) Genotype:FTE (Normal) Genotype:FTE (Normal) Genotype:FTE (Normal) Genotype:FTE (Normal) Genotype:FTE (Normal) Genotype:FTE (Normal) Genotype:FTE (Normal) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SCC-PDOCC (Cancer) Genotype:SNU-PDOCC (Cancer) Genotype:SNU-PDOCC (Cancer) Genotype:SNU-PDOCC (Cancer) Genotype:SNU-PDOCC (Cancer) Genotype:SNU-PDOCC (Cancer) Genotype:SNU-PDOCC (Cancer) Genotype:SNU-PDOCC (Cancer) Genotype:SNU-PDOCC (Cancer) Genotype:SNU-PDOCC (Cancer) Genotype:SNU-PDOCC (Cancer) Genotype:SNU-PDOCC (Cancer) Genotype:SNU-PDOCC (Cancer) 10-heptadecenoate (17:1n7) 10Z-Heptadecenoic acid 0.9650 0.6233 0.4142 0.4064 2.0940 1.3067 2.9726 2.3141 0.4852 0.6275 0.5592 0.3230 1.2755 1.3092 1.5665 6.0196 1.1198 2.6812 1.2573 2.0064 0.9890 1.0257 0.9643 8.6348 1.6080 2.7020 1.0110 1.6979 0.4617 10.1236 1.7790 13.9745 0.4515 1.2908 0.9735 0.9048 0.7614 0.5502 0.4250 0.6286 0.9477 1.5421 1.0918 0.6345 0.8134 0.8954 0.4716 0.7207 10-nonadecenoate (19:1n9) Nonadeca-10Z-enoic acid 0.5541 0.5516 0.3259 0.3206 1.1107 0.6866 1.7974 1.5896 0.3733 0.4509 0.4273 0.2751 1.0189 1.0956 2.1582 8.6676 1.3966 3.8717 2.6704 3.8641 1.0859 1.1408 0.8274 5.1374 1.4567 2.3099 2.0591 3.1744 0.4469 11.6165 2.0610 13.9720 0.6743 1.8189 1.0767 0.9811 0.6540 0.4682 0.3827 0.5587 0.7852 1.2445 0.9227 0.5516 0.6710 0.7009 0.3857 0.7111 1-(1-enyl-oleoyl)-2-oleoyl-GPE (P-18:1/18:1)* PE P-18:1/18:1 0.6872 0.7666 0.5768 0.4918 0.7633 0.5336 0.6522 0.7814 0.5365 0.4979 0.7308 0.8082 0.7354 0.6636 1.5251 1.0764 1.2924 1.0070 1.0755 1.2371 0.8773 0.9930 1.5185 1.9883 0.9027 1.2620 0.8347 0.8748 0.7733 2.0429 1.6688 1.7983 0.6530 0.7087 0.5395 0.4890 2.0228 2.0177 1.8425 1.5856 2.8323 2.6613 2.1631 2.0740 3.7077 4.0899 3.8198 3.9453 1-(1-enyl-oleoyl)-GPE (P-18:1)* LPE P-18:1 or LPE O-18:2 0.8713 0.6350 0.6346 0.8544 0.8340 0.6587 0.7096 0.9141 0.6075 0.7842 0.7709 0.3662 1.4670 1.2402 2.5654 1.0458 1.1792 1.3779 4.5096 4.5438 1.0150 1.0992 1.4308 3.2122 1.1422 1.2652 1.0552 1.6118 0.5364 1.4816 1.1247 1.7034 0.9850 1.0798 0.8816 0.8185 0.3625 0.2636 0.3233 0.3166 0.4938 0.4710 0.2255 0.2574 1.1318 1.1015 1.1136 1.3282 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 2.3272 0.9458 0.7184 0.7337 2.4776 1.8097 2.5215 0.6441 0.7368 0.6992 0.6813 0.7557 1.5453 1.3916 0.6081 0.8280 1.2822 1.3783 1.6184 1.4170 0.2798 0.2955 0.5921 0.6521 1.1823 1.1640 2.2851 1.7833 0.5835 1.0212 0.9788 1.0999 0.8290 0.7601 0.8249 0.8260 3.0999 2.8932 2.6159 2.6159 2.0041 1.9273 2.2990 2.2706 0.0719 0.0856 0.0825 0.0677 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 1.0975 0.8730 0.6831 0.6889 1.1276 0.8895 1.0047 1.2728 1.2785 1.2264 1.1928 0.7109 1.3468 1.2501 1.3576 0.6904 1.0209 1.0533 0.8237 0.8296 0.8047 0.8090 0.8625 0.7332 0.9885 0.9926 0.9574 0.9953 0.5271 0.8657 0.7016 0.8949 0.9398 0.9421 0.8795 0.8504 1.3130 1.2706 1.3845 1.3600 1.6892 1.6941 1.4068 1.3785 1.1579 1.1929 1.1805 1.2246 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 1.9965 0.7319 0.8845 0.9550 2.1140 1.5699 1.9420 1.1008 1.0793 0.9885 1.1439 0.1689 1.8768 1.8588 0.4070 0.1143 0.5397 0.1143 0.1609 0.1740 0.6155 0.4017 0.9920 1.1748 0.1463 0.4206 0.1583 0.1260 0.6933 0.3401 0.1143 0.4640 0.7081 1.0080 0.7970 0.6827 8.7448 7.7995 8.8117 8.2277 13.3685 13.1971 13.4627 12.7873 2.0085 2.1903 2.1683 1.8457 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 0.9958 0.8701 0.6439 0.6598 0.9197 0.7815 0.6970 1.1553 1.1550 1.0042 1.0214 0.7544 1.5320 1.4647 1.5191 0.5616 0.8397 0.5692 0.4108 0.4700 1.3752 1.4049 1.6219 1.6717 0.8758 0.9879 0.3917 0.3935 1.0167 0.8103 0.7422 0.8551 0.9460 0.9291 0.8582 0.8462 1.6282 1.7125 1.7306 1.8016 2.1182 2.2881 2.6946 2.3357 6.7350 6.6835 6.7129 5.8204 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 1.5429 0.7558 0.7725 0.7779 1.6659 1.2918 1.6335 0.9804 1.0104 1.0259 1.0059 0.5637 1.2199 1.1526 0.7465 0.3429 0.7424 0.5943 0.5325 0.5606 0.7431 0.7344 1.1134 1.4004 0.7705 0.7499 0.4609 0.4004 0.7001 0.6826 0.5330 0.7508 0.9941 1.0469 0.9783 0.9122 3.8447 3.5547 4.0225 3.7732 5.2241 5.2243 5.4826 5.2491 1.4805 1.5862 1.5013 1.5445 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 1.0414 0.7314 0.5389 0.5493 1.0184 0.8863 0.8872 0.9734 0.9595 0.8763 0.8793 0.5788 1.2089 1.0870 1.4518 0.7244 1.0213 0.7786 0.7175 0.7645 1.1991 1.2824 1.7087 1.7069 0.9788 0.9727 0.6674 0.7000 0.8180 1.1100 0.9816 1.2308 0.9372 0.9262 0.9357 0.8564 2.5371 2.2484 2.5112 2.6262 3.1999 3.2711 3.0497 2.9216 4.5356 4.5995 4.5374 4.0075 1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)* PC P-16:0/16:1 or PC O-16:1/16:1 1.3125 0.9974 0.8976 0.9689 1.3425 1.0348 1.3124 1.2488 1.2920 1.2370 1.1785 0.8015 1.5132 1.4700 0.7666 0.2368 0.5528 0.4247 0.4683 0.4561 0.4265 0.4340 1.0026 1.0903 0.5576 0.5672 0.2879 0.2375 0.6817 0.5587 0.4603 0.7343 0.7371 0.7993 0.7714 0.7311 5.3642 5.0702 5.7325 5.0737 7.9384 7.8184 7.1735 6.7828 2.7969 3.0296 2.8361 2.6263 1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)* PC P-16:0/16:0 or PC O-16:1/16:0 1.1020 0.8874 0.9356 0.9867 1.1933 1.0133 1.3519 1.0619 1.0715 1.1427 1.1078 0.6777 1.5533 1.4819 1.0654 0.3131 0.7778 0.6041 0.6123 0.6271 0.4646 0.4689 0.8708 1.0811 0.7480 0.7160 0.5319 0.4174 0.6903 0.6078 0.4733 0.7784 0.7798 0.8083 0.8015 0.7494 2.8672 2.5720 3.3867 3.2451 3.1304 3.2028 3.3666 3.1815 1.2755 1.3919 1.3313 1.1583 1-(1-enyl-palmitoyl)-GPC (P-16:0)* LPC P-16:0 or LPC O-16:1 1.0869 0.7602 0.7114 0.8360 1.1794 0.6570 1.0329 1.3572 1.0822 1.2521 1.1167 0.4309 1.6554 1.4101 1.4721 0.3923 0.7555 0.8736 1.6875 1.6267 0.6210 0.7287 0.9621 2.0331 0.8042 0.8869 0.6843 0.7180 0.6053 0.7099 0.4827 0.8655 0.7677 0.8826 0.8083 0.7531 2.1735 1.7426 2.4692 2.2571 4.8633 4.8260 3.1122 3.1737 1.1651 1.1123 0.9671 1.3921 1-(1-enyl-palmitoyl)-GPE (P-16:0)* LPE P-16:0 or LPE O-16:1 0.7164 0.6280 0.5640 0.6721 0.7016 0.5362 0.6464 1.3424 0.9578 1.1989 1.1202 0.3689 1.4715 1.2891 2.4843 0.5301 0.7424 0.8635 1.7502 1.6921 1.0649 1.1646 1.1224 1.9076 0.8042 0.8640 0.7577 0.9712 0.4699 0.7801 0.5664 1.0044 1.1120 1.1586 1.0752 0.9804 0.8886 0.7014 1.0983 0.9956 1.8746 1.5451 0.9672 1.0904 3.1323 3.1802 3.1420 3.8003 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 1.6161 1.0456 0.8970 0.9529 1.6703 1.2469 1.4815 0.9880 0.9162 0.9177 0.8868 0.8384 1.5398 1.4822 1.0964 0.7535 1.2998 1.3457 1.1069 1.1180 0.9558 0.9751 1.1654 1.0984 1.2747 1.3039 1.2587 1.2032 0.5687 1.3204 1.0535 1.3366 1.0268 1.0120 1.0193 0.9494 0.3603 0.3352 0.3958 0.3866 0.4339 0.4397 0.3872 0.3888 0.2866 0.2899 0.2888 0.3462 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 1.5531 0.7510 0.5785 0.7257 1.4489 1.2960 1.1763 0.7282 0.9669 0.8878 0.6547 0.4504 1.5037 1.3026 1.1770 0.7745 1.1151 0.7489 0.7320 0.7050 1.5432 1.6701 2.4311 2.6045 1.3350 1.0012 0.4311 0.5583 0.9155 1.2215 1.0229 1.3073 1.1555 1.1426 0.9368 0.9158 0.8290 0.5786 0.7751 0.9988 0.6944 0.9397 1.0047 0.9926 2.5324 2.2604 2.4090 2.3623 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) PE P-18:0/18:1 or PE O-18:1/18:1 1.0069 0.6097 0.4263 0.4694 1.0601 0.8136 0.8717 0.5741 0.5403 0.4980 0.4850 0.4836 0.9907 0.9175 1.1748 0.5875 0.9931 0.7468 0.6645 0.6795 1.6496 1.6875 1.8453 1.8209 0.9811 0.9885 0.4727 0.4963 0.7144 1.4147 1.0432 1.3650 1.1244 1.0934 0.9235 0.8524 1.2847 1.1120 1.3724 1.3154 1.4427 1.3970 1.4199 1.3819 3.1293 3.2534 3.0487 2.9223 1-(1-enyl-stearoyl)-GPE (P-18:0)* LPE P-18:0 or LPE O-18:1 1.1459 0.7223 0.7552 0.8981 1.1383 0.8226 0.9734 0.8901 0.4604 0.5675 0.8019 0.4283 2.0537 1.8324 2.1168 0.3952 0.9193 1.0501 1.5789 1.5454 1.2806 1.3350 1.6007 2.3236 1.0266 1.0671 0.9616 0.9353 0.3999 1.0321 0.7650 1.2717 1.2472 1.2990 1.2057 1.1264 0.1842 0.1419 0.2657 0.2420 0.3319 0.2779 0.1859 0.2076 1.2029 1.2458 1.1513 1.6115 1_2-dilinoleoyl-GPC (18:2/18:2) PC 18:2/18:2 0.8400 0.6945 0.9833 1.2398 1.0106 0.6062 1.0041 0.9695 1.0887 1.1824 1.2668 0.5056 1.7960 1.7694 1.2913 0.8530 1.3872 1.1055 1.0309 1.1363 1.1318 1.0660 1.1474 1.7575 1.1347 1.1588 0.9959 0.8133 1.1778 1.3997 0.8687 1.1813 0.6576 0.5859 0.8041 0.7298 0.6114 0.6197 0.4626 0.5009 1.1604 1.1343 0.8575 0.8232 0.8401 0.8847 0.8401 0.5797 1_2-dilinoleoyl-GPE (18:2/18:2)* PE 18:2/18:2 1.0705 0.6004 0.9729 1.0446 1.4589 1.2715 1.0271 1.2680 1.2121 1.7148 1.3446 0.5986 1.6634 1.8424 0.8011 0.4894 0.6562 0.6767 0.5901 0.5373 1.7649 1.9281 1.3745 2.7785 0.6514 0.6596 0.6150 0.3026 0.6324 0.5199 0.4082 0.6962 0.6364 0.7400 0.8017 0.7750 0.3026 0.3026 0.3026 0.5687 2.2750 2.4505 0.3026 1.8939 5.5517 5.1154 5.4560 4.0567 1_2-dioleoyl-GPC (18:1/18:1) PC 18:1/18:1 1.0057 0.9085 0.8423 0.8892 1.0359 0.7831 0.9413 0.9676 0.9379 0.9726 1.0078 0.8497 0.9283 0.8021 1.3843 1.0527 1.4168 1.2250 0.9364 0.8619 1.6867 1.7196 1.2212 1.5981 1.2984 1.3532 0.6280 1.0242 0.9329 1.2238 1.2254 1.2178 1.1415 1.1130 0.9687 0.9117 0.8495 0.8368 0.8684 0.8694 1.1928 1.2200 0.8843 0.9068 1.2403 1.2004 1.2218 0.9943 1_2-dioleoyl-GPE (18:1/18:1) PE 18:1/18:1 1.0476 0.8280 0.7938 0.8383 1.0761 1.0352 0.9787 1.0595 1.0390 1.0158 0.9902 0.6708 1.0075 0.9457 1.4413 0.7977 0.9911 0.9349 0.5841 0.6106 1.5521 1.5967 1.2274 1.5526 0.9267 0.9344 0.4472 0.7310 0.7441 0.8897 0.7489 0.8401 0.9875 0.9925 0.7994 0.7472 1.3476 1.2594 1.1645 1.1721 1.4137 1.4073 1.0968 1.0866 2.5103 2.5824 2.5873 2.1150 1_2-dioleoyl-GPI (18:1/18:1) PI 18:1/18:1 0.5206 0.5786 0.4202 0.4887 0.5661 0.5956 0.9959 0.7247 0.6297 0.6299 0.6210 0.4109 0.4498 0.4463 2.0674 0.9455 0.8306 1.1343 0.9478 0.9622 1.5606 1.7315 1.6778 2.0643 0.8622 0.8632 0.8915 1.3380 0.3640 1.1246 0.7701 1.1085 1.2155 1.2381 1.0831 0.9338 1.1430 1.0041 1.2474 1.1354 2.2308 2.3465 1.5364 1.4337 1.7522 1.7587 1.5973 1.5246 1_2-dipalmitoleoyl-GPE (16:1/16:1)* PE 16:1/16:1 0.2729 0.7528 0.7616 0.7467 0.2345 0.3710 0.3044 2.1444 2.1555 2.1362 2.1364 0.6029 1.2035 1.0671 1.7321 0.4182 0.7361 0.5240 0.4330 0.3965 1.3267 1.4776 1.6322 1.4816 0.8400 0.8416 0.2133 0.2470 0.6195 0.6659 0.5278 0.7340 0.9218 1.0215 0.9785 0.9375 6.5612 6.3703 5.6770 4.7531 9.8022 10.2054 5.7045 5.8926 21.7909 22.4800 21.2977 13.2788 1_2-dipalmitoyl-GPC (16:0/16:0) PC 16:0/16:0 0.7101 1.0540 1.1090 1.1979 0.7274 0.8197 0.9430 0.9999 1.0086 1.0521 1.0255 0.9186 1.1406 1.0568 0.9705 0.8452 1.0291 1.0001 1.2512 1.2514 0.6515 0.6923 0.7607 0.9732 0.8337 0.8408 1.3472 1.1153 0.6376 1.0225 0.9387 1.1686 0.4737 0.4687 0.5424 0.5388 1.6588 1.5826 1.4124 1.3904 0.8140 0.8459 0.9524 0.9164 1.0699 1.0874 1.0783 1.0384 1_2-dipalmitoyl-GPE (16:0/16:0)* PE 16:0/16:0 0.5528 0.8099 0.7836 0.8177 0.6188 0.7242 0.8131 0.8355 0.8092 0.7959 0.7952 0.5955 1.0008 0.9814 1.2201 1.0452 1.1911 1.3323 1.7169 1.8493 0.6880 0.6981 0.8753 1.2154 0.9992 0.9707 1.8540 2.2359 0.4854 1.1077 0.8932 1.1018 0.7229 0.7062 0.8274 0.7718 2.2967 2.2707 2.6454 2.3563 1.6502 1.6485 1.8832 1.8328 1.2386 1.2695 1.1893 1.0871 1_2-dipalmitoyl-GPG (16:0/16:0) PG 16:0/16:0 0.1402 0.1402 0.1402 0.1402 0.4834 1.2114 1.5978 0.2734 1 0.9068 0.7685 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.5292 0.4948 0.9011 0.1402 1.1072 0.8253 0.7922 0.5127 1.6446 1.5171 1.6332 1.7850 1.9804 2.0653 1.1097 1.7141 1_2-dipalmitoyl-GPI (16:0/16:0)* PI 16:0/16:0 0.1886 0.3050 0.8673 1.4608 0.1886 0.1886 0.1886 2.6836 2.3326 2.7809 2.4545 0.3205 0.1886 0.1886 0.1886 0.1886 0.1886 0.1886 0.1886 0.1886 0.1886 0.2087 0.1886 0.1886 0.1886 0.1886 0.1886 0.1886 0.1886 0.1886 0.1886 0.1886 0.2454 0.3010 0.5706 0.5153 0.1886 0.1886 0.4321 0.3626 1.7444 1.3510 2.0279 2.2385 1.0204 1.0143 0.9857 2.3347 1_2-distearoyl-GPG (18:0/18:0) PG 18:0/18:0 2.0253 1.6445 1.4313 1.7005 2.4324 1.7583 2.3713 0.9800 1.0296 0.8405 0.9706 1.3633 1.7657 1.4202 0.8419 0.5569 1.1765 0.8260 1.1383 1.1533 0.7680 0.9488 1.3973 1.5335 1.0178 1.1449 1.1574 0.7517 1.3133 1.2478 1.1261 1.7554 0.9822 0.8254 0.9452 1.2454 0.6557 0.5104 0.6695 0.8004 0.4858 0.8009 0.8535 0.6912 0.5857 0.5021 0.6146 0.3097 12-HHTrE 12S-HHTrE 0.6769 1.8432 0.5993 0.9271 0.7197 0.3544 1.1395 0.8528 0.4370 0.4301 0.4009 1.3816 3.0511 1.9723 2.5714 0.9553 3.8588 3.6591 0.5093 0.9127 9.2686 10.9188 5.6399 6.0153 1.6411 1.5629 0.6581 0.6102 1.1754 1.0602 1 1.2484 4.3511 4.4386 2.8337 2.5487 0.9215 0.9003 1.1309 1.0946 0.8163 0.7163 0.4902 0.3510 0.0932 0.0932 0.1133 0.2425 13-HODE + 9-HODE HODE 1.0819 0.9407 0.6681 0.7879 1.2957 0.8940 1.5536 0.7685 0.8858 0.7679 0.7910 0.6019 2.3312 1.9902 1.6529 0.7502 1.7407 1.2535 0.4501 0.6451 5.5520 6.2972 4.6481 3.1407 1.5968 1.5347 0.4501 0.4501 1.3580 0.9351 0.5458 1.0831 1.9834 1.7604 1.5234 1.4118 1.0407 0.9593 0.8936 0.8156 1.3088 1.5427 0.9298 0.9483 0.6381 0.7326 0.6501 0.8527 (14 or 15)-methylpalmitate (a17:0 or i17:0) Methylpalmitic acid 0.7662 0.8468 0.7185 0.6130 1.6831 1.0684 2.4229 3.0331 0.7117 0.8815 0.7799 0.5075 1.2431 1.4142 1.2890 3.9167 0.9339 2.0317 1.2486 1.6756 0.8806 0.9339 0.8767 6.3387 1.2352 1.8666 1.3163 0.9566 0.6159 6.5750 1.4213 9.5593 0.3911 1.1938 0.9040 0.8504 0.8748 0.6602 0.5344 0.7894 0.8891 1.3755 1.1448 0.6201 1.0434 1.0855 0.5668 1.0683 15-HETE 15-HETE 1.2442 1.0562 0.4446 0.6161 1.6043 0.8108 2.0277 0.7028 0.4610 0.4212 0.4261 0.6014 1.5292 1.4285 1.4431 1.3452 3.3751 2.2094 0.6125 0.9438 9.6323 10.7060 6.5523 7.5477 1.5087 1.6253 0.8434 0.7401 2.2422 1.8831 1.3762 2.4008 4.1716 4.3957 3.2410 3.1729 0.6668 0.7721 0.5918 0.6006 0.4889 0.5118 0.4693 0.3303 0.0805 0.1840 0.0837 0.3017 (16 or 17)-methylstearate (a19:0 or i19:0) Methyloctadecanoic acid 1.0223 0.7764 0.6720 0.5947 1.8647 1.0892 3.0401 1.8541 0.5543 0.7014 0.6201 0.4559 1.3911 1.4954 1.6296 4.4684 0.8455 2.0388 1.4372 2.0937 0.8472 0.8993 0.7051 4.3023 0.8744 1.3866 1.4508 1.5934 0.5285 6.3818 1.3996 8.0576 0.5295 1.3241 1.0394 1.0249 0.7635 0.6711 0.5439 0.7688 0.8489 1.2286 1.0314 0.7042 0.9052 0.9777 0.5508 0.9005 1-arachidonoyl-GPE (20:4n6)* LPE 20:4/0:0 1.3360 1.1583 0.9563 0.9949 2.3863 1.7261 2.3244 4.5791 1.4707 1.2477 1.5201 0.6404 1.2465 1.2401 1.0051 2.9634 0.6998 1.8656 1.1042 2.1779 0.7042 0.9262 0.6132 3.2386 1.0675 1.8292 0.9012 1.3097 0.4016 3.4824 0.9040 5.2821 0.4104 1.1913 0.7039 0.9672 0.5294 0.5380 0.4066 0.6447 0.6246 0.8468 0.6167 0.5988 0.7028 0.9759 0.3918 1.0085 1-arachidonoyl-GPI* (20:4)* LPI 20:4/0:0 2.6252 0.5506 0.5794 0.4596 5.5340 2.7053 5.8309 2.1253 0.5346 0.7303 0.7892 0.2898 0.5818 0.4245 1.1532 2.2963 1.1164 2.7561 1.8986 3.2010 0.6727 0.7634 0.5992 2.4122 1.1777 1.7085 1.6708 2.3289 0.6140 4.7288 1.0153 6.0197 0.5055 1.1169 0.7964 0.8020 0.8374 0.6989 0.6727 0.9383 0.9847 1.4668 0.8662 0.6962 1.6260 1.8309 0.8641 1.4981 1-arachidonylglycerol (20:4) MG 20:4 0.6239 0.0773 0.1175 0.0773 1.8673 1.2266 3.2653 0.4967 0.0773 0.0773 0.0773 0.0773 0.9929 1.2602 1.7719 7.6824 1.9319 6.0076 8.4012 8.1320 0.1495 0.0773 0.3454 0.4181 2.7418 4.8323 11.1294 6.5662 0.9962 4.6665 1 6.6224 0.6839 2.1344 1.1403 1.3231 0.3396 0.0773 0.0773 0.5028 0.1534 0.5366 0.8747 0.5457 0.1359 0.2892 0.0773 0.2632 1-carboxyethylisoleucine 1-Carboxyethylisoleucine 0.9997 0.2979 0.4358 0.5604 0.9091 0.3358 0.3748 0.5904 0.8179 1 0.7879 0.2979 3.6763 2.0450 0.5155 0.2979 0.5711 0.3770 0.2979 0.2979 0.6495 0.8242 0.2979 0.2979 0.3006 0.2979 0.2979 0.2979 0.2979 0.3392 0.2979 0.7268 1.4163 1.6566 1.2805 1.0167 1.5609 1.4357 2.4165 2.4150 3.2462 3.9433 2.6829 3.1423 1.3024 1.7010 2.4966 2.5825 1-carboxyethylleucine 1-Carboxyethylleucine 1.0434 0.3227 0.7007 0.4976 0.9748 0.4881 0.4365 0.6266 0.9413 0.5677 0.4243 0.3227 0.3227 1.0389 0.5474 0.3227 0.9617 0.5379 0.3227 0.3227 1.2005 1.2926 0.3227 0.3227 0.3227 0.3662 0.3227 0.3227 0.3227 0.4996 0.3227 0.7983 2.0928 1.8899 1.7104 1.5555 1.0324 1.0439 2.3162 2.0990 0.3227 0.3227 3.6339 3.2429 1.0388 1 0.3227 1.9358 1-carboxyethylphenylalanine 1-Carboxyethylphenylalanine 0.8016 0.2181 0.6629 0.4741 0.6142 0.3394 0.3521 0.5122 0.8829 0.7454 0.5459 0.2181 2.1619 2.0499 0.6608 0.2181 0.9193 0.5460 0.2181 0.2181 1.1757 1.4600 0.2181 0.3439 0.3136 0.3630 0.2181 0.2181 0.2181 0.3439 0.2758 0.7354 1.9845 2.0066 1.6431 1.4619 1.0807 1.0884 2.0430 1.8905 1.2954 1.6022 2.5361 2.3899 1.3059 1.4848 1.3527 2.2164 1-carboxyethyltyrosine 1-Carboxyethyltyrosine 0.7824 0.3308 0.4072 0.3308 0.6028 0.3308 0.3308 0.3454 0.6135 0.4778 0.3308 0.3308 2.4220 2.4050 0.3308 0.3308 0.5017 0.3308 0.3308 0.3308 0.6164 0.6666 0.3308 0.3308 0.3308 0.3308 0.3308 0.3308 0.3308 0.3308 0.3308 0.4718 1.0063 1.0328 0.9655 0.7677 0.9682 1.0452 1.5641 1.5590 1.5464 1.7952 2.3596 2.3979 1 1.1661 1.1362 1.9839 1-carboxyethylvaline 1-Carboxyethylvaline 0.7545 0.1867 0.4687 0.1867 0.2850 0.1867 0.1867 0.3514 0.6624 0.7394 0.4602 0.1867 1.7885 1.7236 0.3252 0.1867 0.5936 0.2209 0.1867 0.1867 0.8053 0.8391 0.1867 0.1867 0.1867 0.1867 0.1867 0.1867 0.1867 0.1867 0.2197 0.4307 1.1352 1.1653 1 0.7832 1.7292 1.3492 2.3410 2.3164 2.6150 2.4531 3.7571 3.5097 1.3612 1.4890 1.2615 2.3603 1-dihomo-linolenylglycerol (20:3) MG 20:3/0:0/0:0 0.1006 0.1006 0.1006 0.1006 0.5348 0.3656 0.4554 0.1832 0.1006 0.1006 0.1006 0.1006 0.6399 1.0356 2.2537 7.3317 1.7271 6.8524 8.0979 9.6068 0.1034 0.1720 0.3526 1.2937 3.5658 4.6774 8.5594 5.3337 0.6143 6.7296 0.9644 8.0073 1.0850 3.2571 1.5213 2.3873 0.1006 0.1006 0.1006 0.1006 0.2157 0.5661 0.8053 0.3191 0.1455 0.2672 0.1006 0.2313 1-docosahexaenoylglycerol (22:6) MG 22:6 0.8842 0.1377 0.1377 0.1377 1.7503 1.2655 4.0843 0.4198 0.1377 0.1377 0.1377 0.1377 0.7094 1.0134 1.6805 8.5522 2.2705 6.4364 7.8000 8.2898 0.1564 0.2459 0.3524 1.4124 2.8144 5.1008 9.3129 6.3136 1 9.9193 1.8711 16.1778 0.5287 1.5517 0.8596 0.9932 0.2195 0.2213 0.1377 0.2870 0.2318 0.5398 0.7444 0.3766 0.1610 0.2180 0.1377 0.1377 1-heptadecenoylglycerol (17:1)* MG 17:1/0:0/0:0 0.4488 0.1738 0.1738 0.1738 1.2708 0.9215 1.7148 0.1979 0.1738 0.1738 0.1738 0.1738 1 0.3190 2.4504 9.7758 2.2971 4.9914 4.2529 5.2676 0.1738 0.1738 0.2808 1.1083 4.4409 5.2162 3.2686 4.4471 0.4599 5.8761 0.5504 7.7754 0.2745 1.8561 1.3421 1.4300 0.2869 0.1832 0.2372 0.3202 0.4475 0.9309 1.6397 0.6092 0.1738 0.3244 0.2121 0.1749 1-lignoceroyl-GPC (24:0) LPC 24:0/0:0 0.3461 0.4226 0.5435 0.6371 0.3631 0.1849 0.1849 0.4421 0.5354 0.4878 0.4493 0.2659 2.2600 2.0627 3.1311 1 1.0647 1.1679 0.5340 0.5830 3.7823 4.3103 1.3291 2.0424 1.3398 1.3007 0.6335 1.1286 0.6492 0.7693 0.4697 1.0074 2.6777 3.0152 2.2872 2.1724 0.3504 0.3339 0.4474 0.4163 0.9292 0.9537 1.0031 1.1496 2.9351 3.1485 3.0270 4.0234 1-linoleoylglycerol (18:2) MG 18:2 0.7236 0.1422 0.1237 0.1793 1.2264 1.0287 1.8632 0.5828 0.1237 0.1353 0.1237 0.1417 0.9803 1.1024 2.1630 8.8017 1.9382 4.7229 4.8964 5.2159 0.1237 0.1237 0.2535 1.0197 3.4972 5.9054 4.8643 4.3592 0.6892 5.6161 0.5353 7.8193 0.5211 1.6837 1.0221 1.2686 0.2241 0.2712 0.2466 0.4891 0.4324 0.7270 1.0580 0.5697 0.2435 0.2925 0.1237 0.1237 1-linoleoyl-GPC (18:2) LPC 18:2/0:0 0.7098 0.6937 1.2051 1.0335 1.9088 1.3481 1.5376 5.0127 1.0610 1.7315 1.5947 0.2079 1 0.9137 1.1043 2.3169 0.2079 0.2079 0.4007 1.1207 0.7004 0.9443 0.2079 4.8724 0.3934 0.6548 0.2079 0.2079 0.4129 1.0297 0.2079 2.1030 0.2079 0.4670 0.4818 0.6889 0.5003 0.6910 0.7491 0.9832 0.8306 1.5328 1.0031 0.9693 1.9141 2.3161 0.7643 2.0230 1-linoleoyl-GPE (18:2)* LPE 18:2/0:0 1.1383 0.9341 1.2242 1.1203 1.6035 1.4507 1.6127 4.8094 1.3852 1.5608 1.8670 0.4702 1.4993 0.8866 1.4712 0.1507 0.2520 0.5605 0.1507 0.8238 0.3023 1.2935 0.7172 3.4602 0.1507 1 0.1507 0.1507 0.4952 1.1888 0.1507 2.1100 0.3112 0.9179 0.6590 0.8453 0.6309 0.5149 0.5810 0.7483 0.9693 1.2755 0.9390 0.9067 3.5734 4.4367 1.7395 4.0403 1-linoleoyl-GPI* (18:2)* LPI 18:2/0:0 2.1787 0.9496 0.9845 0.7100 4.1451 2.7875 5.8571 2.6409 0.7551 1.0660 1.1845 0.4471 0.2611 0.2611 1.5218 1.3387 0.4608 0.9909 0.6296 1.1471 0.9953 1.0496 0.8133 4.5561 0.4168 0.5229 1.0038 0.4963 0.4669 2.7122 0.6152 3.9787 0.5544 1.4545 1.1560 0.7764 0.5965 0.3676 0.7372 1 1.0768 0.7910 1.0134 0.6002 2.4005 2.7603 1.4993 2.2788 1-margaroylglycerol (17:0) MG 17:0 0.8596 0.2292 0.1624 0.5314 2.0699 1.3966 2.0669 0.4254 0.8364 0.5874 0.9633 0.1624 1.6365 1.3750 1 5.4040 2.0492 2.4816 2.5370 2.7052 0.3372 0.2881 0.7036 2.7854 2.2109 3.5805 2.2155 2.5175 0.8902 6.7594 1.5899 9.0735 0.7255 1.0538 0.5852 1.5368 0.4843 0.7582 0.1624 0.6434 0.1624 1.0722 0.8688 0.7165 0.7754 1.1385 0.3689 0.3779 1-meadoylglycerol (20:3n9)* MG 20:3/0:0/0:0 0.1175 0.1175 0.1175 0.1175 0.3278 0.1863 0.3293 0.1175 0.1175 0.1175 0.1175 0.1175 0.2234 0.4729 2.8400 7.3795 1.1892 7.2555 2.6070 3.2843 0.1175 0.1175 0.4653 0.1175 5.5651 3.8347 0.8100 5.5157 0.1681 3.5489 0.1175 1.4844 1.3662 2.7931 1.4645 0.8108 0.1175 0.1175 0.1175 0.1175 0.1198 0.2095 0.2166 0.1175 0.1409 0.1175 0.1175 0.1175 1-methyl-4-imidazoleacetate Methylimidazoleacetic acid 0.9683 0.7364 0.6580 0.5809 0.9108 0.6964 0.9783 0.3028 0.3028 0.3028 0.3028 0.3028 4.4246 4.9047 0.6600 0.3028 0.9538 0.3088 0.3028 0.3028 0.3028 0.9863 0.3028 1.0303 0.3028 0.3028 0.3028 0.6798 0.3028 0.3028 0.3028 0.8346 1.0623 1.2737 1.2396 1.4690 0.9314 1.1917 0.9541 1.1448 1.1570 1.3776 1.2795 1.0240 1.0660 1.1280 1 1.2484 1-methyl-5-imidazoleacetate 1-Methyl-5-imidazoleacetic acid 1.7763 0.5446 1.2763 1.1606 1.7612 1.2109 1.4504 0.2790 0.9388 0.7941 0.6568 0.2790 13.4158 16.9665 0.8195 0.2790 0.9690 0.8645 0.2790 0.4209 0.5727 1.1319 0.2790 0.7889 0.5700 0.8742 0.2790 0.8814 0.2790 0.5245 0.6484 1.1025 1.6258 1.7726 1.3272 1.7112 1.0741 1.0310 0.7419 0.8217 0.7889 1.0385 0.8449 0.7438 3.5177 3.7059 2.8256 4.6061 1-methyladenosine 1-Methyladenosine 1.5700 0.2340 0.3895 0.2340 1.8461 0.2340 1 0.2340 1.9360 0.6085 0.2340 0.2340 1.2885 0.2340 0.2340 0.2340 0.2340 0.2340 0.2340 0.2340 0.2340 0.2340 0.2340 0.2340 0.2340 0.2340 0.2340 0.2340 0.2340 0.2340 0.2340 0.2340 0.2340 0.4866 0.2340 0.2340 0.2340 0.2340 0.2340 0.2340 1.5325 1.8050 0.2340 0.2340 0.5388 0.6846 0.2340 0.2340 1-methylhistidine 1-Methylhistidine 1.6377 0.2030 1 1.7107 1.9367 1.2249 0.8550 1.1901 1.7594 1.5351 0.7880 0.1249 21.9454 14.4606 1.5473 0.1249 0.4244 0.2760 0.1719 1.0772 0.5092 0.6949 0.2040 2.2955 0.2349 0.3562 0.1249 0.5033 0.1249 0.7251 0.4457 1.4935 0.8693 0.9310 1.4827 1.8336 0.6372 0.4375 1.2930 1.5809 1.0426 1.9077 1.1798 1.3874 0.5583 0.8074 0.5445 1.4215 1-methylnicotinamide 1-Methyl nicotinamide 1.0822 0.9842 1.8140 1.5971 1.1521 0.9961 1.2056 1.2390 1.3620 1.4845 1.3777 0.8012 1.4314 1.4780 0.8373 0.3078 0.4479 0.7565 0.5316 0.7519 0.2914 0.3224 0.5562 1.3732 0.6946 0.7300 1.0039 1.1447 0.4141 0.8264 0.6795 1.2874 0.7064 0.7309 0.7689 0.8003 1.9301 1.9570 1.5524 1.8035 0.9670 0.8966 0.8228 1.1293 2.2458 2.4140 2.0945 2.7774 1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)* PC 14:0/20:4 1.4126 1.1605 1.2363 1.4867 1.6229 1.3977 1.5359 1.3134 1.4473 1.4498 1.3820 0.7061 1.1657 1.1065 1.5060 0.6798 0.9919 1.0955 0.5865 0.6725 1.4520 1.6177 1.2844 2.2260 1.0480 1.0406 0.6372 1.1324 0.4199 0.9585 0.6471 0.9936 0.8751 0.9698 0.9923 0.8748 0.4828 0.4222 0.3825 0.3767 1.0064 1.0786 0.8951 0.8741 0.5673 0.5632 0.5824 0.6042 1-myristoyl-2-palmitoyl-GPC (14:0/16:0) PC 14:0/16:0 0.8711 1.4862 1.4865 1.5651 0.9005 0.9383 0.8138 1.5971 1.5736 1.5760 1.5446 1.2397 1.1364 1.0486 1.2943 0.5617 0.7992 0.8359 0.5868 0.5927 0.8347 0.8792 0.8785 0.9894 0.7089 0.7113 0.5611 0.7819 0.5376 0.7874 0.6545 0.9320 0.9641 0.9596 1.0106 0.9574 2.4051 2.3340 2.6693 2.4251 3.1174 3.2155 3.6825 3.6272 2.8657 2.9688 2.8852 2.5475 1-myristoylglycerol (14:0) MG 16:3 0.5738 0.1803 0.1803 0.7652 1.1212 1.2434 1.6112 0.7471 0.1803 0.1803 0.3263 0.1803 0.7869 1.0412 1.7506 5.1260 1.1238 3.9722 2.6525 2.8194 0.1803 0.1803 0.3312 0.5234 1.9668 2.6026 1.5809 2.9900 0.3555 3.6748 0.9535 5.0514 0.3862 1 0.6740 0.9911 0.6922 0.9767 0.6943 0.7030 1.5948 2.1154 3.6888 2.4167 0.8590 0.7094 0.3759 0.1803 1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)* PE 18:1/20:4 1.3236 0.9462 0.9360 0.9907 1.3911 1.3628 1.5426 1.1821 1.1635 1.0785 1.0958 0.8041 1.0683 1.0178 1.5086 0.9834 1.1152 1.1277 0.9222 0.8764 1.2384 1.2410 1.0524 1.1912 0.8996 0.9258 0.9401 1.1926 0.6536 0.8719 0.7575 0.8837 0.9309 0.9591 0.7986 0.7262 1.1032 1.0093 0.9218 0.9320 0.7998 0.7765 0.6416 0.6446 1.6191 1.6910 1.6489 1.3919 1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)* PI 18:1/20:4 0.7480 0.6905 0.6577 0.6788 0.7669 0.9941 1.0710 0.7284 0.7486 0.7150 0.6878 0.5803 1.1018 1.0647 1.1034 0.9264 1.3239 1.3670 1.1564 1.1773 1.2647 1.2893 1.0231 1.0094 1.0851 1.1350 1.0750 1.3921 0.8611 1.0059 0.8561 0.9602 1.4004 1.3058 1.2322 1.1527 1.0956 0.9406 0.8832 0.9789 1.1103 1.1520 0.9423 0.8964 0.5094 0.5309 0.5133 0.1775 1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)* PC 18:1/22:6 1.4064 0.7088 0.7406 0.8266 1.4425 1.1797 1.3720 0.7375 0.7714 0.7058 0.7067 0.4702 0.8001 0.7351 1.0820 0.7073 1.0165 1.1583 0.7653 0.8619 2.0216 2.1106 0.9655 1.0515 1.1290 1.0910 0.6824 1.0414 0.6672 0.8904 0.6151 0.7440 1.2312 1.2584 1.0957 0.9942 1.1521 1.1162 1.1179 1.1015 1.2052 1.2472 1.0058 1.0244 0.6347 0.6584 0.6336 0.4907 1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)* PE 18:1/22:6 1.3321 0.9573 0.8347 0.8680 1.4337 1.4297 1.4429 0.6615 0.6631 0.6433 0.6646 0.8329 0.8839 0.8558 1.6345 1.5256 1.6610 1.9325 1.3524 1.4043 1.4042 1.4878 1.3239 1.6672 1.4952 1.5014 1.2222 2.0535 1.0427 1.4630 1.2626 1.2719 1.1244 1.1320 0.9374 0.9401 0.4901 0.4775 0.4415 0.4405 0.4155 0.4367 0.3432 0.3629 0.7995 0.8267 0.7974 0.6540 1-oleoyl-2-linoleoyl-GPC (18:1/18:2)* PC 18:1_18:2 1.6527 1.1369 1.1225 1.3554 1.5670 1.4052 1.7446 0.9249 0.9397 1.0656 1.0271 0.9729 1.6661 1.5149 1.0599 0.8904 1.3807 0.9368 0.7300 0.7497 1.9264 2.1661 1.3643 1.6727 1.2595 1.2729 0.6422 0.7437 1.1481 1.2190 0.9521 1.0684 1.0990 1.0735 0.8589 0.9111 0.8937 0.8082 0.8172 0.8374 0.7492 0.7287 0.7000 0.6059 0.5986 0.6259 0.5344 0.3937 1-oleoyl-2-linoleoyl-GPE (18:1/18:2)* PE 18:1/18:2 1.0033 0.8454 1.0238 1.0352 1.0392 1.1171 0.9967 1.2572 1.2450 1.3667 1.3126 0.6950 1.2578 1.1761 1.5174 0.6473 0.8423 0.7274 0.2743 0.2895 1.6883 1.7018 1.3253 1.5998 0.7511 0.7548 0.1635 0.2660 0.9741 0.7606 0.5604 0.6963 1.1044 1.1438 0.6510 0.6523 0.9297 0.8629 0.8667 0.8217 1.2503 1.2313 0.9513 0.9679 3.0590 3.1573 3.1501 2.4922 1-oleoylglycerol (18:1) MG 18:1/0:0/0:0 0.6572 0.1685 0.2029 0.1166 1.6533 1.4205 1.5498 0.1850 0.2664 0.2475 0.3504 0.1532 0.7666 0.8598 1.2167 13.4685 2.6608 6.7976 6.6319 8.0391 0.3258 0.1704 0.6823 1.4059 4.8363 6.2074 4.5225 6.2787 0.5939 8.9564 1.5631 7.8888 0.9087 2.4085 1.4375 1.7819 0.7195 0.7672 0.5844 0.7801 1.0913 1.7439 2.6392 1.4547 0.6434 0.8528 0.3096 0.3682 1-oleoyl-GPC (18:1) LPC 18:1/0:0 0.8325 0.8748 0.8901 0.6501 1.4612 1.0028 1.1703 3.0845 0.8689 1.1258 1.0741 0.4581 1.1939 0.6987 1.5420 2.2162 0.5376 1.4455 1.5908 2.6347 0.9682 1.0463 0.6394 4.5484 0.8264 1.5559 0.3618 1.1111 0.5331 3.2365 0.6466 5.2447 0.3439 0.9972 0.6957 0.6909 0.7091 0.5598 0.7224 0.7218 1.3282 1.4876 1.0918 0.9713 1.8960 2.1853 0.9775 2.2026 1-oleoyl-GPE (18:1) LPE 18:1/0:0 0.9617 0.7741 0.7989 0.5649 1.4728 1.4791 1.3418 3.0539 0.9906 1.0398 1.0488 0.4578 1.2280 0.6869 2.0717 1.9494 0.5709 1.3686 0.9701 1.5955 1.1377 1.1723 0.7690 3.9424 0.7294 1.2740 0.2881 0.9500 0.5106 2.7390 0.5701 4.2847 0.4527 1.0094 0.8431 0.7551 0.8501 0.6670 0.7153 0.7579 1.1996 1.1200 0.9212 0.7482 3.8703 4.9344 2.0459 4.4867 1-oleoyl-GPG (18:1)* LPG 18:1/0:0 1.3217 1.2170 0.4544 0.5393 4.0565 2.8147 5.1408 3.0901 1.0310 0.9408 1.1417 0.4921 0.7153 0.8939 0.1352 1.1408 0.2810 0.7110 0.1352 0.4888 0.7423 1.0790 0.6346 2.0372 0.6015 1.0775 0.2628 0.3878 0.1447 2.6378 0.5362 5.2773 0.1415 0.6857 0.4332 0.5456 1.2552 1 0.6194 1.0927 0.9441 2.5444 1.6236 1.1785 2.2487 2.6676 1.2468 1.9163 1-oleoyl-GPI (18:1) LPI 18:1/0:0 0.3679 0.3140 0.2405 0.1448 0.8264 0.6339 1.1309 1.0184 0.2459 0.3661 0.2925 0.1397 0.4457 0.2426 1.5378 3.8257 0.7677 1.9344 1.6852 2.6377 1.4329 1.4326 0.9148 6.4551 0.7570 1.2703 2.9622 1.3546 0.6645 5.8506 1.0876 8.1859 0.8608 2.3791 1.7225 1.6046 0.6260 0.4481 0.4697 0.6132 0.9816 1.4578 1.0290 0.5684 1.5884 1.9012 0.7856 1.6860 1-oleoyl-GPS (18:1) LPS 18:1/0:0 0.7177 0.8894 0.5281 0.7523 1.8427 1.3961 2.5214 2.4230 0.5898 0.7418 0.8303 0.3558 0.5251 0.4522 2.1364 1.8807 0.4131 1.7082 0.6624 1.1842 0.6508 0.8567 0.9806 9.6588 0.4730 1.2178 0.3711 1.4427 0.6059 3.8396 0.5870 6.1687 0.2693 0.7986 0.5744 0.7001 1.2782 1.0194 1.1662 1.9346 1.1539 1.8479 1.4175 1.1468 1.4900 1.9691 0.7502 1.4872 1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)* PC 16:1/18:2 1.0235 1.0093 1.0875 1.1614 1.0971 0.8383 1.0655 1.2875 1.2638 1.3051 1.3796 0.6873 1.8290 1.7074 1.3507 0.6061 1.1149 0.8684 0.7278 0.7953 1.4390 1.3855 1.7077 2.3657 1.2258 1.2012 0.5484 0.5585 0.8781 1.1129 0.7796 1.1580 0.8608 0.8499 0.8942 0.8002 0.6210 0.6311 0.5936 0.5726 1.2324 1.2691 0.8487 0.8371 0.9701 0.9907 0.9660 0.6964 1-palmitoleoyl-2-oleoyl-GPC (16:1/18:1)* PC 16:1/18:1 0.7240 0.8013 0.5212 0.5477 0.7312 0.4315 0.5343 1.0913 1.0882 1.1569 1.1432 0.5306 1.1023 0.9445 1.1710 0.6678 1.0267 0.7762 0.5099 0.5551 1.1148 1.4968 1.1180 1.3212 0.9905 0.9917 0.5204 0.6286 0.7128 0.8211 0.6046 0.9303 0.7910 1.0083 0.7767 0.6517 1.8400 1.6207 1.4823 1.5276 2.2509 2.5821 1.2653 1.3708 2.2119 2.1845 2.0218 1.3856 1-palmitoleoyl-2-oleoyl-GPE (16:1/18:1)* PE 16:1/18:1 0.4863 0.9752 0.7505 0.7932 0.6048 0.7883 0.6024 2.1151 2.1243 1.9567 1.8532 0.6816 1.1069 1.0696 1.9509 0.6911 1.0109 0.8570 0.4157 0.4385 2.0044 2.0633 1.4478 1.6894 0.8803 0.9891 0.3887 0.6668 0.5503 0.9112 0.7162 0.8618 0.6936 0.6415 0.6640 0.6455 6.9307 6.3484 5.9935 5.8507 7.9185 8.0010 5.7012 5.4467 16.9931 17.3469 17.3240 12.6074 1-palmitoleoylglycerol (16:1)* MG 16:1 0.3292 0.0415 0.0415 0.0415 1.0912 0.6910 2.0230 0.7170 0.1424 0.0415 0.1195 0.0415 0.0415 1.3174 2.0580 9.0752 1.7304 4.3308 4.7010 5.1074 0.0418 0.0626 0.3716 1.1150 3.7443 5.7020 3.3853 4.2425 0.0415 5.8913 1.0135 8.5140 0.2178 1.4801 0.7259 0.8746 0.7372 0.5833 0.5559 0.6102 0.9865 1.6579 2.2284 1.3505 0.6316 0.6206 0.3469 0.2384 1-palmitoleoyl-GPC* (16:1)* LPC 16:1/0:0 0.6193 0.9860 0.8518 0.9897 0.7988 0.6379 0.7378 1.5890 1.2888 1.4886 1.4988 0.4830 1.3122 0.9283 1.9119 0.6496 0.8640 1.0502 1.7259 1.8582 1.1942 1.3969 1.2654 2.5136 1.0716 1.2847 0.4368 1.0046 0.6348 0.9222 0.5827 1.0428 0.9784 1.0471 0.9954 0.9393 0.7433 0.5497 0.6761 0.6097 1.6546 1.7331 0.8467 0.9478 2.9141 2.6203 2.6653 2.4918 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) PC 16:0/20:4 1.1998 1.0474 0.9432 1.0109 1.2217 0.9470 1.3635 1.0540 1.1333 1.0200 1.0192 0.8510 1.3071 1.2286 1.2836 0.9111 0.8971 1.3743 1.3503 1.3290 0.8039 0.8232 0.8564 0.9823 0.9180 0.9152 1.7182 1.6073 0.6559 0.8650 0.7451 0.9705 0.9542 1.0219 1.0837 0.9977 0.8192 0.7750 0.8668 0.8637 1.1457 1.1313 1.0023 1.0197 0.9131 0.9277 0.8853 1.0884 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)* PE 16:0/20:4 0.7643 0.7706 0.7241 0.7845 0.8082 0.7067 0.8568 1.5808 1.5417 1.4386 1.4663 0.6369 1.0801 0.9930 1.3592 0.7929 0.7412 1.0740 1.0230 0.9524 0.6769 0.6951 0.7105 0.6530 0.6574 0.6807 1.4167 1.3017 0.4765 0.6221 0.5158 0.6704 1.0350 1.0936 1.1012 1.0070 0.9240 0.8439 1.0829 1.0447 1.2344 1.2130 1.1880 1.1461 2.3347 2.4308 2.3867 2.9907 1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)* PI 16:0/20:4 0.9083 0.5406 0.5711 0.5188 0.9327 1.0392 1.0148 0.9526 0.9212 0.9158 0.8728 0.4376 1.4431 1.1865 1.1045 0.6265 0.9816 1.2469 1.0023 1.0068 0.6297 0.6155 0.6537 0.5735 0.9115 0.9611 1.3180 1.1478 0.7884 0.6845 0.5687 0.7004 0.9815 0.9977 1.1779 1.1441 2.2236 1.9187 2.5117 2.4855 3.1938 3.4022 3.3499 3.2167 2.2864 2.3601 2.2783 2.2969 1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)* 0.6574 0.7317 1.1055 0.9963 0.2564 0.6572 0.5589 0.9714 0.9636 0.9642 0.9492 0.5534 1.1812 1.2090 1.4833 1.0611 0.9376 1.3070 1.4739 1.4287 0.2564 1.0928 1.0909 1.2361 0.9575 1.0054 1.6835 1.3541 1.0037 1.0738 0.9499 1.1559 1.3217 1.4512 1.5913 1.4256 0.2564 0.2789 0.2979 0.2610 0.7471 0.7705 0.6206 0.6878 0.9742 0.9694 1.0147 1.0461 1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6) PC 16:0/22:6 1.6419 0.7284 0.7990 0.8602 1.6886 1.3338 1.6433 0.8533 0.9142 0.8143 0.7840 0.5246 0.9972 0.8870 1.1166 0.5412 0.8247 1.1334 0.8876 0.9949 1.0028 1.0757 0.8124 0.8521 0.8369 0.8285 1.1488 1.1541 0.5938 0.7359 0.5162 0.7391 1.0090 1.0294 1.1428 1.0299 0.9911 0.9451 1.1848 1.1467 1.4974 1.5675 1.3907 1.4175 1.0700 1.0894 1.0533 1.2126 1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)* PE 16:0/22:6 0.9723 1.0967 0.9934 0.9749 1.0291 0.9315 0.8710 0.9793 1.0357 0.9511 1.0066 0.9023 1.0653 1.0443 1.6494 0.9667 1.0738 1.5893 1.5187 1.5163 0.8076 0.8639 1.2758 1.2714 1.1027 1.0454 1.8712 1.9407 0.8574 1.1140 0.9134 1.2402 1.2404 1.2116 1.3118 1.3149 0.3371 0.3622 0.4461 0.4131 0.4150 0.4455 0.4366 0.4674 0.9456 0.9749 0.9371 1.1503 1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)* PC 16:0_18:3 1.7145 1.1339 1.3640 1.5055 1.8108 1.6822 1.4482 1.4332 1.5542 1.5493 1.4391 0.8468 0.9742 0.9562 1.4772 0.8167 1.0258 1.0688 0.4921 0.5517 1.3723 1.6312 1.3561 2.0795 1.3067 1.2251 0.3629 0.9158 0.3912 0.9547 0.6958 0.8467 1.2371 1.3385 1.2835 1.1628 0.1724 0.1518 0.1982 0.1792 0.2104 0.2066 0.1802 0.1880 0.2845 0.2917 0.2554 0.2801 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) PC 16:0/18:2 0.9825 1.0037 0.9963 1.0324 1.0385 0.9637 1.0807 1.0789 1.0689 1.0468 1.0480 0.8577 1.2386 1.1961 1.3031 0.8349 1.1122 0.9035 0.8465 0.8603 1.3664 1.3018 1.4064 1.5546 1.0817 1.0903 0.6628 0.8048 0.8049 1.0709 0.8956 1.0361 1.1464 1.1238 1.1037 1.0527 0.6252 0.6488 0.6871 0.6286 0.7849 0.7394 0.7035 0.6759 0.8065 0.8294 0.8594 0.7945 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) PE 16:0/18:2 0.9644 1.0176 1.1365 1.1480 0.8180 0.7689 0.8257 1.3178 0.4136 0.4136 0.4136 0.9824 1.5802 1.2535 0.4136 0.6057 0.4136 0.7256 0.6542 0.6676 1.4241 1.6017 1.5709 1.7221 0.4136 0.8105 0.4136 0.4404 1.1615 0.6430 0.6188 0.7670 1.5894 1.7105 1.5267 1.4336 0.4136 0.4136 0.4136 0.4136 0.4136 0.4136 0.4136 0.4136 0.4136 0.4136 0.4136 0.4136 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) PC 16:0/18:1 1.0412 0.9405 0.8719 0.9139 1.0610 0.9347 1.0552 1.0066 1.0013 0.9918 0.9791 0.7961 1.0627 0.9823 1.1137 0.7305 0.9002 0.9776 0.8633 0.8671 0.9461 1.0023 0.9987 1.0621 0.9287 0.9205 0.8868 0.8893 0.7603 0.8816 0.7812 0.9240 1.0736 1.0763 1.1023 1.0735 1.0273 0.9957 1.1372 1.1318 1.2304 1.2746 1.1661 1.1494 1.2655 1.2900 1.2792 1.2443 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) PE 16:0/18:1 0.6888 0.7798 0.7103 0.7551 0.7168 0.6852 0.7113 1.2687 1.2411 1.1962 1.2029 0.6080 0.9843 0.9451 1.3412 0.6873 0.8879 0.9929 0.8155 0.8699 0.9847 1.0071 1.0782 1.1596 0.8366 0.8532 0.8000 0.9644 0.6943 0.8311 0.6763 0.8394 1.1718 1.1864 1.1517 1.0690 1.1524 1.0840 1.4095 1.3319 1.7597 1.7630 1.6136 1.6101 1.9792 1.9976 1.9877 2.2610 1-palmitoyl-2-oleoyl-GPG (16:0/18:1) PG 16:0/18:1 0.7987 0.7166 0.6967 0.8093 0.9398 1.0703 1.5173 1.2706 1.2465 1.2115 1.1736 0.4388 1.2927 1.2157 1.4100 0.4819 0.7455 1.0029 0.6107 0.5996 1.0121 1.0445 0.7782 0.7961 0.8838 0.9772 0.6202 1.0269 0.4650 0.5440 0.3477 0.4783 1.0356 1.2158 1.0884 0.9971 0.7584 0.7242 0.6219 0.5360 1.7889 1.9703 1.6296 1.6832 1.6921 1.7842 1.7379 2.0316 1-palmitoyl-2-oleoyl-GPI (16:0/18:1)* PI 16:0/18:1 0.6182 1.6636 1.8129 1.9496 0.6141 0.4839 0.8686 2.6537 2.5771 2.9329 2.8116 1.2070 0.4724 0.4878 1.4890 0.3692 0.2474 0.4403 0.4581 0.4803 0.8681 0.9537 1.1646 1.9621 0.3338 0.3418 0.7497 0.8040 0.1501 0.7005 0.4621 0.9277 0.9526 0.9871 1.0129 0.9830 1.3895 1.4026 2.4832 2.1836 4.5228 4.8124 4.1288 4.0824 5.6450 5.8642 5.8105 6.5731 1-palmitoyl-2-oleoyl-GPS (16:0/18:1) PS 16:0/18:1 0.8178 1.1003 1.1050 1.1836 0.8278 0.5354 0.6889 1.9701 1.9831 1.9291 1.9670 0.8813 1.0097 0.9363 1.0610 0.6521 0.7073 0.7561 0.6187 0.6469 1.1125 1.1579 1.3263 1.5550 0.7524 0.7600 0.6576 0.6118 0.5260 0.9903 0.7572 1.0388 0.6485 0.6926 0.6581 0.6244 0.7038 0.6624 1.0761 1.0798 1.3311 1.4316 1.0866 1.1305 2.6343 2.7386 2.5443 2.4570 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)* PC 16:0/16:1 0.7898 1.1421 0.9793 1.0186 0.8216 0.7438 0.8015 1.3533 1.3193 1.3148 1.3040 0.9293 1.1993 1.1335 1.2797 0.5709 0.7836 0.7969 0.7356 0.7399 0.9113 0.8749 1.0860 1.2482 0.8814 0.8944 0.6421 0.6690 0.6171 0.8087 0.7148 0.9414 0.9677 1.0029 0.9971 0.9247 1.1715 1.1334 1.2926 1.1949 1.6478 1.7161 1.4362 1.4062 2.1402 2.1676 2.1380 2.1544 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) PC 16:0/18:0 1.8290 1.5365 1.7441 1.8696 1.9113 1.5371 2.0278 1.1527 1.1188 1.1819 1.2094 1.1957 1.4962 1.4168 0.8987 0.6890 0.9180 1.0845 1.0188 1.0889 0.9960 1.0515 0.8690 1.4452 0.8955 0.9175 1.3499 1.1671 0.4573 1.0040 0.8139 1.1925 0.6294 0.6340 0.6451 0.6541 0.9084 0.8301 1.0133 0.9251 0.6556 0.6731 0.7525 0.7495 0.6769 0.7064 0.6643 0.6647 1-palmitoyl-2-stearoyl-GPE (16:0/18:0)* PE 16:0/18:0 1.0974 1.1576 1.0240 1.2997 1.5056 1.2933 1.6551 0.7563 0.5332 0.7517 0.7060 0.6600 1.4255 1.2114 1.3784 0.8107 0.9052 1.1939 1.0616 1.1505 0.9161 1.0449 1.0967 2.5819 0.9008 0.9604 1.3229 1.9659 0.2946 1.1208 0.7176 1.1323 0.7131 0.7597 0.5473 0.6644 0.8990 0.7909 1.0235 0.8326 0.7223 0.7739 0.7701 0.6949 1.2260 1.3212 1.2282 0.9765 1-palmitoylglycerol (16:0) MG 16:0/0:0/0:0 0.5249 0.3121 0.3873 0.2351 1.3193 1.1467 1.9716 0.7835 0.7995 0.5334 0.5400 0.2307 0.9791 1.3233 1.2825 5.8429 1.0209 5.6786 3.4367 5.5117 0.2915 0.2895 0.7017 1.0767 2.6651 2.4210 2.4933 3.0664 0.7332 6.9526 0.7379 6.8769 0.8541 1.9992 1.3591 1.3029 0.7263 0.8584 0.8600 0.7771 1.2449 1.6707 2.4968 1.8872 0.4361 0.9091 0.5792 0.2613 1-palmitoyl-GPC (16:0) LPC 16:0/0:0 0.6476 0.7844 0.8553 0.8909 0.7361 0.5399 0.7301 1.3284 1.0862 1.3420 1.2260 0.4396 1.1047 0.8620 1.8043 0.4685 0.5700 0.9967 1.4674 1.5688 0.9360 1.1320 0.8586 1.6587 0.6531 0.7814 0.6636 1.1084 0.5267 0.6537 0.4202 0.8178 0.9937 1.1822 1.0112 1.0543 0.7604 0.6918 1.0887 1.0033 2.3175 2.3038 1.3936 1.7979 4.9900 5.0491 4.9031 7.9371 1-palmitoyl-GPE (16:0) LPE 16:0/0:0 0.6156 0.7821 0.7242 0.7475 0.6226 0.5024 0.5833 1.5222 1.5786 1.3598 1.1206 0.4919 1.1052 0.9334 2.2129 0.4905 0.5604 1.0321 1.0352 1.0515 0.9517 1.0841 0.9679 1.4544 0.6788 0.7799 0.6078 1.1256 0.4869 0.6352 0.4561 0.7646 1.3087 1.4385 1.4473 1.3930 0.5931 0.5373 0.9291 0.8428 1.5941 1.5994 1.0983 1.2760 7.0943 7.1293 6.9436 11.3260 1-palmitoyl-GPG (16:0)* LPG 16:0/0:0 0.1605 0.6589 0.1605 0.4251 1.3801 1 2.3852 3.6843 1.1409 1.3157 1.2608 0.1605 0.6735 0.7539 0.1605 0.1605 0.1605 0.1605 0.1605 0.1605 0.4210 0.5968 0.1605 0.7096 0.1605 0.1605 0.1605 0.1605 0.1605 0.1605 0.1605 0.1605 0.2472 0.7420 0.6321 0.7160 0.6998 0.6205 0.7036 1.0114 1.5866 3.0665 2.3521 1.8061 2.3258 3.0969 1.4313 3.7104 1-palmitoyl-GPI* (16:0) LPI 16:0/0:0 0.2360 0.3161 0.2589 0.1770 0.4675 0.3708 0.7681 1.2955 0.3191 0.4941 0.4088 0.1221 0.4690 0.2619 1.2346 2.7792 0.4363 1.4598 1.3557 2.0966 0.6952 0.6950 0.5793 3.9963 0.5044 0.8947 4.5185 1.0427 0.5433 4.0306 0.7858 6.5674 0.6230 1.7465 1.5750 1.4515 0.9573 0.7652 1.0666 1.3269 2.3652 3.6971 3.2022 1.8961 2.7025 3.5761 1.6110 3.8979 1-palmitoyl-GPS (16:0)* LPS 16:0/0:0 0.4252 0.8551 0.7511 1.0647 0.9603 0.6541 1.9747 3.8058 0.8375 1.0562 1.0148 0.3065 1.5515 1.2470 1.7670 3.5939 0.4319 2.1065 1.7724 3.0825 0.6775 0.8671 0.8277 13.2775 0.7969 1.4165 1.9720 2.0619 0.3055 6.2301 0.9377 12.1719 0.4027 1.5535 1.0720 1.4117 0.5045 0.3493 0.3170 0.7665 0.1555 0.5315 0.4570 0.3172 1.8368 2.3771 0.9852 3.2207 1-ribosyl-imidazoleacetate* Imidazoleacetic acid riboside 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.6430 0.8710 1.1924 0.6430 1.1290 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) PC 18:0/20:4 1.2100 1.0550 0.9348 0.9720 1.2877 1.0533 1.4160 0.7181 0.7421 0.7190 0.6960 0.8570 1.2217 1.1674 1.0125 1.0406 1.0665 1.3905 1.4715 1.5204 1.3361 1.3471 1.1254 1.3135 1.2551 1.2761 1.6713 1.7624 0.8508 1.2211 0.9875 1.2261 0.9873 1.0161 0.9855 0.9593 0.2727 0.2714 0.2706 0.2764 0.2646 0.2789 0.2673 0.2645 0.3566 0.3657 0.3642 0.4014 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) PE 18:0/20:4 1.3170 0.9969 0.9988 1.0664 1.3339 1.1216 1.3596 1.2311 1.2625 1.2477 1.2229 0.8678 1.1616 1.0972 1.0949 0.8677 0.9099 1.1637 1.0687 1.0151 1.0365 1.0655 0.9783 0.9671 0.9986 0.9710 1.2402 1.2009 0.6323 0.8654 0.7566 0.8300 1.0774 1.0856 1.0331 0.9561 0.4293 0.4152 0.4717 0.4668 0.5910 0.5990 0.4928 0.4725 0.9753 1.0012 0.9896 1.1095 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) PI 18:0/20:4 1.2086 0.8947 0.8242 0.8890 1.2793 0.9700 1.1611 0.8729 0.8964 0.8446 0.8318 0.6798 1.2794 1.2753 1.0036 0.8540 1.1892 1.2816 1.0456 1.0313 1.1436 1.1120 1.0631 1.2397 1.3029 1.3129 1.0193 1.2462 0.8332 1.1609 0.9301 1.1218 1.0339 1.0398 1.0202 0.9235 0.9278 0.8798 0.9612 0.9508 0.9964 1.0176 0.9071 0.8757 0.9679 0.9956 0.9699 0.9077 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) PS 18:0/20:4 0.9570 1.6731 1.4980 1.6165 1.0754 0.4829 0.9433 1.6799 1.8429 1.7020 1.6378 1.4209 1.5110 1.4889 0.8658 1.0178 1.0244 1.3095 1.3461 1.2898 0.5924 0.6340 0.8981 1.2290 1.2876 0.9822 1.9335 1.1804 0.6891 1.2027 1.1007 1.5418 0.7359 0.8482 0.7093 0.7077 0.0460 0.0460 0.1481 0.2240 0.0460 0.2213 0.2260 0.2435 0.4801 0.4313 0.4568 0.5155 1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6) PC 18:0/22:6 1.6341 0.9045 0.9893 1.0358 1.7373 1.4849 1.8102 0.7443 0.7311 0.6861 0.6554 0.7398 1.0279 1.0107 0.9675 0.7554 1.0678 1.2063 1.1106 1.0675 1.5085 1.5116 1.0762 0.9668 1.3073 1.3569 1.1995 1.3534 1.0894 0.9508 0.8002 1.0203 1.1406 1.1698 1.2041 1.0850 0.3031 0.2875 0.3574 0.3359 0.3191 0.3138 0.3740 0.3752 0.5151 0.5266 0.5079 0.5383 1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)* PE 18:0/22:6 1.3238 1.0586 1.1306 1.1352 1.3881 1.4251 1.3835 0.9823 0.9857 0.9693 0.8854 0.8878 1.0102 0.9636 1.2289 0.8338 0.9947 1.4301 1.1365 1.1279 0.9663 1.0053 0.9732 1.0105 1.2116 1.0505 1.1950 1.5594 1.1683 0.8763 0.7263 0.9529 1.2886 1.2892 1.3551 1.3614 0.1972 0.1679 0.2312 0.1907 0.2508 0.1902 0.2752 0.2891 0.7664 0.8119 0.7537 1.0643 1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* PC 18:0/18:2 1.1691 1.0106 0.9590 1.0237 1.1348 1.1557 1.0729 0.9179 0.9409 0.8792 0.7445 0.6787 1.3746 1.3895 1.2095 1.0020 1.0643 1.1088 0.7752 1.0054 1.5792 1.6929 1.4204 1.3697 1.3883 1.2583 0.8415 0.9980 0.9842 1.2278 0.7950 0.9144 1.3111 1.4059 1.1837 1.1699 0.3848 0.3098 0.3995 0.3515 0.4140 0.4464 0.4977 0.4147 0.6000 0.7323 0.6764 0.7311 1-stearoyl-2-linoleoyl-GPI (18:0/18:2) PI 18:0/18:2 0.9925 0.8761 0.9198 1.1224 1.1627 0.8380 1.0524 0.9643 1.0075 1.0317 1.0297 0.7374 0.4450 0.5378 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 0.4450 1.0685 1.1822 0.8587 1.2491 1-stearoyl-2-oleoyl-GPC (18:0/18:1) PC 18:0/18:1 1.1172 0.8197 0.7661 0.8394 1.1797 0.9665 1.1162 0.7827 0.7511 0.7482 0.7503 0.6527 1.0428 0.9745 1.1555 0.7554 1.0783 1.0549 0.9402 0.9831 1.5373 1.6602 1.2215 1.2904 1.1758 1.2180 0.9188 1.0169 0.8698 1.0554 0.8919 1.0822 1.2751 1.3035 1.1615 1.1263 0.6224 0.5855 0.6814 0.6423 0.7166 0.7422 0.6777 0.6744 1.0921 1.1195 1.0805 1.0495 1-stearoyl-2-oleoyl-GPE (18:0/18:1) PE 18:0/18:1 1.0206 0.9335 0.8770 1.0379 1.3352 0.9683 1.1753 1.2123 0.8971 1.2247 1.1767 0.5637 1.2798 1.1309 1.5659 0.5163 0.9016 1.0269 0.6203 0.6786 1.2841 1.4086 1.2991 1.8549 0.9857 1.0084 0.5433 0.7662 0.5901 0.9671 0.6337 0.9608 1.2555 1.2928 0.8736 0.9916 0.6482 0.5958 0.7571 0.6361 1.2018 1.3206 0.9317 0.9435 1.7288 1.8287 1.7065 1.7210 1-stearoyl-2-oleoyl-GPG (18:0/18:1) PG 18:0/18:1 3.7205 0.6770 0.6839 0.8065 4.1963 3.1639 5.4244 1.2263 1.1618 1.0678 1.0440 0.4355 1.1122 1.0112 1.3005 0.1623 0.5351 0.5853 0.3254 0.3034 1.0309 1.0973 0.7402 0.7729 0.3641 0.3910 0.2392 0.2663 0.3657 0.3218 0.2285 0.4404 1.2621 1.2681 1.1762 0.9888 0.4920 0.4237 0.5381 0.4116 1.0837 1.2041 1.2181 1.1967 2.4967 2.6310 2.5295 3.2990 1-stearoyl-2-oleoyl-GPI (18:0/18:1)* PI 18:0/18:1 0.8911 1.3750 1.2046 1.3543 1 0.6018 1.1206 1.4532 1.4120 1.3078 1.4550 0.8887 0.3130 0.2431 1.0165 0.3147 0.1428 0.2711 0.2718 0.3126 1.1649 1.1510 1.0246 2.0566 0.2811 0.2384 0.4319 0.6569 0.0961 0.6624 0.5146 0.8237 0.6084 0.8025 0.6112 0.7366 1 0.8170 1.5513 1.3111 2.4943 2.7505 1.9351 2.0243 4.0302 4.3235 4.0891 5.1527 1-stearoyl-2-oleoyl-GPS (18:0/18:1) PS 18:0/18:1 1.3058 1.0202 1.0561 1.1028 1.3890 1.0277 1.2169 1.3178 1.2482 1.2704 1.2309 0.8112 1.0463 0.9979 1.0682 0.5769 0.7799 0.8060 0.5568 0.5873 1.1396 1.2226 1.1859 1.3574 0.9442 0.9806 0.5729 0.6310 0.5830 0.9602 0.7722 1.0021 0.7434 0.7675 0.6589 0.6209 0.7107 0.6082 0.9009 0.9208 1.1129 1.2180 0.9952 0.9648 1.4574 1.5128 1.4466 1.3724 1-stearoyl-GPC (18:0) LPC 18:0/0:0 0.8807 0.8562 0.9212 1.1289 0.9310 0.7120 0.9783 0.9263 0.6970 0.8890 0.8736 0.4868 1.3023 1.1191 1.6284 0.6094 0.7517 1.0769 1.9285 2.0554 1.9264 2.3208 1.1873 2.8656 1.0259 1.1706 1.0217 1.5206 0.7525 0.9649 0.6454 1.1629 1.2698 1.4159 1.2030 1.1672 0.2266 0.2022 0.3221 0.2983 0.5014 0.4864 0.3566 0.4360 1.6810 1.7318 1.6660 2.7125 1-stearoyl-GPE (18:0) LPE 18:0/0:0 0.9546 0.8211 0.7984 0.8342 0.9573 0.8719 1.1028 1.1904 1.0140 1.1326 0.9946 0.4842 1.4866 1.2657 2.3815 0.6268 0.7925 1.2905 1.4927 1.4878 1.5535 1.6455 1.2069 2.2219 0.9783 1.0054 0.9162 1.3406 0.6775 0.8281 0.5901 0.9410 1.7023 1.7987 1.6316 1.4960 0.2895 0.2363 0.4334 0.3441 0.7474 0.6375 0.4788 0.5147 3.7971 3.6293 3.7464 6.1084 1-stearoyl-GPG (18:0) LPG 18:0/0:0 2.8682 0.7453 0.4506 0.3476 5.1751 3.6700 10.5627 3.6718 0.9088 0.6150 1.0358 0.3088 0.8659 1 0.3088 0.3088 0.3088 0.3088 0.3088 0.3088 0.5278 0.8128 0.3088 1.3211 0.3088 0.3088 0.3088 0.3088 0.3088 0.3088 0.3088 1.6991 0.3088 1.5946 0.7292 0.8797 0.3253 0.3088 0.3088 0.4168 0.8711 1.5740 1.3278 0.9276 3.2720 3.6101 1.3531 5.8134 1-stearoyl-GPI (18:0) LPI 18:0/0:0 0.5184 0.3988 0.2255 0.1247 0.9092 0.4691 0.7946 0.9711 0.2774 0.2887 0.2251 0.1491 0.7106 0.2931 1.4332 4.4843 0.9097 2.1166 1.9978 3.0647 1.4300 1.6037 0.9894 7.6611 1.0958 1.9840 4.7102 1.6337 0.8669 7.0762 1.6394 9.7768 0.8343 1.9875 1.6047 1.5210 0.8120 0.5932 0.6562 0.8524 1.0106 1.4486 1.1318 0.7070 1.6454 2.1031 0.9558 2.1911 1-stearoyl-GPS (18:0)* LPS 18:0/0:0 1.0114 0.9282 0.9886 1.0693 1.9147 1.0379 2.0029 2.9881 0.8444 0.6954 0.8388 0.4452 2.2990 1.5054 1.6609 2.1411 0.5969 1.7504 0.9563 1.6471 0.7944 0.8925 0.6135 6.6204 0.8773 1.5628 1.5233 1.1631 0.4519 3.8606 0.8061 7.3119 0.5858 1.4137 1.0296 1.1505 0.2515 0.1923 0.1760 0.2932 0.2165 0.3106 0.2175 0.1858 1.0531 1.3637 0.5802 1.5894 2_4-dihydroxybutyrate 2,4-Dihydroxybutanoic acid 0.8366 1.6692 1.2130 2.0146 0.8366 0.8366 0.8366 0.8851 0.8815 1.0409 1 0.8366 4.8148 4.2546 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.9051 0.8366 0.9073 0.8366 0.9172 0.8924 0.9620 0.8366 0.9509 1.3377 1.4731 1.9408 2_4-di-tert-butylphenol 2,4-Ditert-butylphenol 1.4668 1.1208 0.7001 0.7321 2.8433 1.6098 3.4058 2.9531 0.5646 0.7276 0.6516 0.4499 1.1085 1.0015 1.0841 2.2267 0.6400 1.6277 0.7316 1.3230 0.8953 0.9985 0.8280 4.0048 1.0830 1.9544 0.9838 0.9971 0.4210 5.0353 0.9248 5.9700 0.3233 1.0449 0.7393 0.7224 0.8660 0.5563 0.7285 1.1530 1.2948 2.5238 2.4739 1.0637 0.9619 1.0706 0.4347 0.8274 2-aminoadipate alpha-Aminoadipic acid 1.7138 0.9647 2.5321 1.9529 1.0780 0.9217 0.8004 1.3859 1.8265 1.8783 1.7194 1.0100 12.5438 11.5269 0.6858 0.4090 0.9886 0.5313 0.4090 0.4090 0.4090 0.9900 0.4784 1.5860 0.5140 0.4846 0.4090 0.5935 0.4090 1.6354 1.1002 2.4233 0.4090 0.4090 0.5571 0.4553 0.4090 0.4090 0.4090 0.4090 0.4090 0.4090 0.4090 0.4090 0.4090 0.4090 0.4090 0.4114 2^-AMP Adenosine 2'-phosphate 1.5555 0.6380 0.5685 0.5863 1.6927 0.8113 1.7834 0.2941 0.1668 0.3396 0.1687 0.1775 12.4063 5.2296 10.7382 1.5502 1.2483 4.5482 6.0761 7.8919 0.1668 0.2339 1.7228 2.3706 0.2110 0.1668 3.4951 6.0160 0.1668 0.9966 1.0034 1.2637 0.3463 0.4698 0.1668 0.1668 1.1053 0.5075 0.4254 0.5558 5.3471 1.2118 0.3106 1.0127 0.7197 0.6987 0.3751 0.1668 2-arachidonoylglycerol (20:4) MG 20:4 0.8574 0.0961 0.1119 0.0961 1.7147 1.2392 3.1303 0.5625 0.0961 0.0961 0.0961 0.0961 1.2121 1.7508 2.4533 6.4917 1.8906 6.0834 7.0160 5.9401 0.2057 0.0961 0.4283 0.7854 2.8759 5.2613 10.7504 6.1890 0.7317 4.2413 1 6.4998 0.6477 2.1366 0.8581 0.9789 0.2402 0.0961 0.0961 0.4967 0.2090 0.5834 0.7247 0.4397 0.0961 0.4527 0.0961 0.0961 2^-deoxyadenosine 5^-monophosphate dAMP 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 1.0818 0.4708 1.4413 1.3651 0.4213 2.5779 3.0835 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.4213 0.6927 0.7323 0.9182 0.8964 2.4694 2^-deoxycytidine Deoxycytidine 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 4.6269 4.5177 1 0.2659 1.2807 2.1732 4.6269 2.3524 0.2049 0.2049 0.2049 0.2049 1.0732 1.0817 0.9621 1.4924 1.0253 0.9310 0.5147 0.6130 0.9035 0.8345 0.8677 0.6204 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 0.2049 2^-deoxyguanosine Deoxyguanosine 0.6497 0.4916 1.4006 3.1754 0.5455 0.6174 0.9163 0.7154 0.8637 1 1.2343 0.4916 1.8754 1.0171 0.4916 0.4916 0.4916 0.4916 9.8704 4.0613 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 0.4916 2^-deoxyinosine Deoxyinosine 1.4793 0.4992 1 3.0139 1.3703 1.1454 2.2013 1.1222 2.1042 1.3427 1.4333 0.3304 4.0469 3.0198 0.7048 0.1931 0.1931 0.2063 6.0485 2.7120 0.1931 0.1931 0.1931 0.3703 0.1931 0.1931 0.1931 0.1931 0.1931 0.1931 0.1931 0.1931 0.1931 0.1931 0.2200 0.1931 0.1931 0.1931 0.1931 0.1931 0.6916 0.9021 0.2093 0.2525 0.1931 0.2319 0.1931 0.6026 2^-deoxyuridine Deoxyuridine 4.5639 2.2384 1.6375 1.2097 5.3159 5.9584 17.6407 2.2390 1.8891 1.7924 0.9424 1.2702 3.5296 2.0573 2.4420 0.3036 0.8893 1.2593 0.3036 0.3036 0.6196 0.8947 0.6926 1.5039 0.8068 0.9134 0.3582 0.5946 0.4434 0.7211 0.6432 1.0836 0.8716 1.0128 0.8397 0.8863 0.3036 0.3036 0.3036 0.3036 0.8155 0.9872 0.3036 0.3036 0.3036 0.3036 0.3036 0.3036 2-docosahexaenoylglycerol (22:6)* MG 22:6 0.9282 0.0875 0.0875 0.0875 1.4477 1 3.5252 0.4593 0.0875 0.0875 0.0875 0.0875 1.0557 1.3588 2.3000 6.9995 2.2886 5.9335 6.2724 5.4833 0.0930 0.3059 0.2875 1.4001 2.4346 4.3596 7.0376 5.6228 0.8568 8.7111 2.0547 12.8708 0.5083 1.3719 0.9246 0.7716 0.1303 0.1431 0.0875 0.1757 0.2836 0.5949 0.5733 0.2345 0.1596 0.2409 0.0875 0.0875 2-heptadecenoylglycerol (17:1)* MG 0:0/17:1/0:0 1.0226 0.1796 0.1796 0.2996 1.3539 0.9228 2.0136 0.5007 0.1796 0.2777 0.1796 0.1796 1.5209 0.7745 3.4241 11.0482 2.6295 5.4202 4.8340 4.5220 0.1796 0.2011 0.2711 1.4292 4.4787 7.9779 4.3806 6.0594 0.6275 8.0038 1.8273 9.9991 0.8262 1.9403 1.1121 1.5953 0.3800 0.3621 0.1796 0.4491 0.4402 0.9774 0.8816 0.6471 0.4796 0.4385 0.2863 0.3634 2-hydroxyadipate 2-Hydroxyadipic acid 0.4957 0.4957 0.9874 0.8616 0.4957 0.4957 0.4957 0.4957 0.4957 0.7281 1.8922 0.4957 6.0680 6.1986 0.4957 0.4957 0.6914 0.4957 0.4957 0.5494 0.4957 0.6546 0.4957 1.1301 1.0126 0.5823 0.4957 0.4957 0.4957 2.3335 2.1044 5.1984 0.6488 0.7657 1.0760 0.7392 0.4957 0.4957 0.4957 0.4957 0.4957 0.4957 0.4957 0.4957 0.8584 1.8326 1.0676 2.2251 2-hydroxyglutarate 2-Hydroxyglutaric acid 0.6532 0.4196 1.2958 1.0355 0.4124 0.3285 0.4135 0.8203 1.2434 1.3811 1.1002 0.3774 28.1630 25.9829 1.2599 0.4063 1.5013 0.8739 0.5508 0.7272 0.6076 0.6646 0.9101 1.7730 2.0747 2.0705 0.3399 0.4093 0.3535 1.6570 1.5801 3.9741 3.1577 3.1556 3.7210 3.4685 0.5720 0.4416 0.4395 0.4114 1.3285 1.3224 1.0900 1.1159 0.9645 0.9522 0.9609 2.0866 2-hydroxypalmitate 2-Hydroxypalmitic acid 3.4100 2.7044 1.5719 1.5280 8.3523 3.3860 13.4587 7.6710 2.3177 1.3604 1.3406 1.0648 1.9909 3.5154 0.3366 0.8525 0.2952 0.6458 0.2156 0.3098 0.2550 0.3015 0.4216 2.9564 0.4446 0.7167 0.2235 0.3660 0.2318 1.4876 0.3713 3.1988 0.4731 1.1865 0.9352 1.2346 0.7083 0.5984 0.5465 1.0859 0.7262 2.1832 0.7958 0.4858 1.4577 1.8145 0.8438 3.6120 2-hydroxystearate 2-Hydroxystearic acid 9.6191 4.1123 2.6251 2.4583 21.9367 9.6430 34.0912 8.5799 2.7213 1.6923 1.4389 1.8228 2.9816 4.9807 0.3340 1.2615 0.4438 0.9138 0.2911 0.4604 0.6172 0.4882 0.7136 4.0171 0.7522 1.0113 0.5203 0.3445 0.3832 1.8501 0.5304 3.3786 0.7768 2.2579 1.8445 2.0833 0.5976 0.5009 0.4999 0.8100 0.6076 1.2648 0.5379 0.4485 0.8288 0.9887 0.5123 1.8550 2-linoleoylglycerol (18:2) MG 18:2 0.7908 0.0503 0.0503 0.0503 1.6029 1.0080 2.5999 0.3600 0.0503 0.1927 0.0503 0.0503 1.3919 1.5807 2.1426 7.5103 2.1162 4.4695 5.1561 4.4784 0.1511 0.0503 0.2902 1.3751 3.6601 5.9697 5.6437 4.5886 0.7559 4.9957 0.6009 7.2268 0.5221 1.5217 0.9778 0.9920 0.1863 0.1593 0.2007 0.2606 0.3797 0.6773 1.0407 0.6995 0.2321 0.2595 0.0503 0.0503 2-methylbutyrylcarnitine (C5) CAR 4:0;2Me 0.2450 0.3780 0.6376 0.5690 0.1997 0.1715 0.1856 0.3007 0.4674 0.3790 0.3491 0.2783 10.5396 11.9554 3.0614 1.3874 1.5428 1.8542 1.1865 1.5001 0.4226 0.5662 1.2028 0.7429 2.1696 2.4108 1.4092 2.7320 0.4750 2.4698 1.5633 3.3491 1.0025 1.0506 1 1.1045 0.1693 0.1353 0.1130 0.1130 0.2675 0.3295 0.1704 0.2344 3.1234 3.3856 2.6572 4.0484 2-methylcitrate/homocitrate Homocitric acid 0.2257 1.3126 2.2590 2.1866 0.2257 0.2257 0.2257 0.7029 0.8709 0.9445 1.2881 1.3308 8.9275 8.3966 1.8792 0.2257 1.5005 0.7271 1 1.6856 0.2257 0.4994 1.3752 1.1568 2.3172 2.6146 0.7976 1.4066 0.8862 0.7721 0.4554 0.6565 0.6364 0.5057 0.2916 0.8262 0.3015 0.2257 0.2257 0.2257 0.2257 0.4969 0.5326 0.6453 3.7385 3.7513 4.3588 2.4650 2-myristoylglycerol (14:0) MG 0:0/14:0/0:0 0.7716 0.1642 0.2195 0.1642 1.1333 1.0750 1.5237 0.4890 0.1783 0.1642 0.5308 0.1642 0.9429 1.2487 1.8294 4.1586 1.0814 3.6175 2.0433 2.1258 0.1642 0.2816 0.4527 0.8284 1.8593 2.3625 1.6519 2.3532 0.2191 3.3162 1.0571 4.3263 0.1642 0.6295 0.5490 0.8020 0.4761 0.5575 0.6664 0.7271 1.1803 1.6782 2.6839 1.7153 0.7139 0.2861 0.3368 0.1642 2-oleoylglycerol (18:1) MG 0:0/18:1(9Z)/0:0 0.6190 0.1372 0.1147 0.0568 1.5558 0.9951 1.4553 0.2625 0.2239 0.2523 0.2239 0.1273 0.8648 1.3256 2.1762 13.3370 2.1828 8.6924 6.9288 8.2809 0.3180 0.1747 0.6395 1.1934 6.4055 6.2001 4.1166 7.2741 0.4062 10.1716 1.0049 7.5061 1.3968 3.3716 1.6281 1.3646 0.4515 0.5408 0.6465 0.6113 0.9295 1.2828 1.6601 1.1955 0.4197 0.5163 0.2119 0.2663 2-O-methylascorbic acid 2-O-Methylascorbic acid 1 0.7255 0.9944 0.9656 1.0046 0.7379 1.1387 0.9058 1.0778 0.8598 0.7964 0.4067 6.7429 5.3359 2.5819 0.5559 1.0414 1.3659 0.8382 0.9613 0.9396 1.3770 0.7515 1.1955 1.1404 1.0516 1.1694 1.3010 0.5245 1.0303 0.7035 0.9313 1.6817 1.7078 1.5836 1.4285 0.4277 0.3724 0.3724 0.3767 0.6711 0.6244 0.4199 0.5076 1.2426 1.4009 1.4677 1.3917 2^-O-methylcytidine 2'-O-Methylcytidine 2.2724 0.4453 0.6392 0.4453 2.4284 0.6429 1.9203 1.0471 3.6990 2.7698 0.8132 0.4453 3.2877 3.5674 1.6133 0.4453 0.4453 0.4453 0.4453 0.4453 0.6239 0.8245 0.4453 1.4355 0.5171 0.6559 0.4453 0.7482 0.4453 0.4453 0.4453 0.5335 1 1.2994 0.8644 1.0506 0.4453 0.4453 0.4453 0.4453 0.4453 0.7211 0.4453 0.4453 0.4453 0.4453 0.4453 0.4453 2-oxoarginine* 2-Oxoarginine 0.1228 1.0342 0.4268 0.4053 0.1285 0.1491 0.1521 0.5126 0.5609 0.4983 0.4070 0.6561 1.8537 1.7743 3.2048 1.3483 1.2971 1.9733 0.1205 0.2080 2.4662 2.4595 1.1963 1.5808 2.6951 1.9802 2.3373 4.6791 0.3681 1.1227 0.6997 1.3134 1.6313 1.5770 1.3586 0.9658 0.5462 0.5166 0.5588 0.4928 0.5869 0.6213 0.3565 0.3043 13.8646 10.7310 12.3652 6.9167 2-palmitoleoylglycerol (16:1)* MG 16:1 0.3993 0.0621 0.0621 0.0621 1.0820 0.5158 1.5258 0.0621 0.0621 0.0621 0.0621 0.0621 0.0621 1.6697 0.4569 7.4691 1.5217 3.8422 3.6872 3.2398 0.0621 0.0621 0.3611 0.8555 3.5135 5.8773 3.0267 3.8233 0.0621 4.6547 0.7694 6.7393 0.0621 0.0621 0.1425 0.1820 0.6466 0.4872 0.4110 0.4097 1 1.5970 1.6610 1.0659 0.6545 0.6005 0.4648 0.1780 2-palmitoleoyl-GPC* (16:1)* LPC 0:0/16:1 1.0980 0.6476 0.8150 0.9459 1.4368 0.8709 1.2061 1.5611 1.6202 2.0064 1.6033 0.4823 0.7260 0.7820 1.3042 0.3953 0.7108 0.5996 0.8929 0.9427 0.8335 1.0280 1.0106 1.6171 0.5950 0.6355 0.2692 0.6103 0.5331 0.6502 0.3809 0.7327 0.9894 1.1655 0.7511 0.8460 4.8002 4.3440 5.5922 4.9303 10.3823 11.2609 6.5954 7.6322 12.0216 12.3573 12.0398 10.0968 2-palmitoylglycerol (16:0) MG 0:0/16:0/0:0 0.7137 0.0653 0.1223 0.1594 1.6927 1.0639 2.4663 1.0078 0.1924 0.2998 0.2995 0.2875 1.6878 1.9342 2.2583 5.0864 1.2395 3.3445 2.5025 3.2147 0.1446 0.1972 0.3206 1.5787 2.1921 3.1125 2.2878 2.8728 0.7518 5.6990 0.9922 8.5393 0.7757 1.5388 0.7478 1.1921 0.4358 0.3724 0.6794 1.1228 0.6733 1.4380 1.5362 0.7383 0.4243 0.5505 0.2457 0.2123 2-palmitoyl-GPC* (16:0)* LPC 0:0/16:0 1.5353 0.8022 0.8091 1.0032 1.5856 1.1652 1.9263 0.8220 0.7086 0.7889 0.8758 0.4689 0.5801 0.4864 1.4790 0.5907 0.8818 0.9596 1.4666 1.4916 0.9191 1.0793 1.1007 2.5610 0.8517 0.9375 0.6025 1.3201 0.4837 0.8542 0.4966 0.9968 0.6952 0.8235 0.7271 0.7666 1.5119 1.3966 1.9783 1.8367 2.0360 2.2915 1.7456 1.7136 1.7703 1.5852 1.4678 1.2799 2-phosphoglycerate 2-Phosphoglyceric acid 3.3172 2.1751 2.2511 2.0859 2.7692 2.0183 2.6796 3.1343 6.5435 3.6865 2.6539 2.2859 0.1083 0.1083 0.2588 0.1083 0.1083 0.1083 0.1083 0.1083 0.3964 0.2197 0.1220 1.3403 0.1083 0.1083 0.1083 0.1083 0.1083 0.1149 0.1083 0.2852 0.4657 0.3766 0.5440 0.5229 0.7173 0.8533 0.6175 0.6943 1.5473 0.7104 0.2663 0.4868 1.3880 1.5517 1.1467 2.0290 2R_3R-dihydroxybutyrate 4-Deoxyerythronic acid 0.2104 0.2104 0.2104 0.2104 0.7398 0.2104 0.2104 0.2104 1.2412 1.5030 0.2104 0.2104 9.5412 8.3015 0.2104 0.2104 0.2104 0.2104 0.2104 0.2104 0.2104 0.9672 0.2104 0.2104 0.2104 1.0209 0.2104 0.2104 0.2104 0.2104 0.2104 0.2104 0.3991 1.2541 1 0.7635 0.6326 0.2104 0.2104 0.2104 0.2104 0.2104 0.6418 0.4854 0.9596 1.3491 1.2239 1.7182 2S_3R-dihydroxybutyrate 4-Deoxythreonic acid 0.1955 0.1955 0.1955 0.1955 0.1955 0.1955 0.1955 0.1955 0.9613 1.0141 0.1955 0.1955 3.3224 1.5721 0.1955 0.1955 0.1955 0.1955 0.1955 0.1955 0.1955 1.2413 0.1955 0.1955 0.1955 1.5004 0.1955 0.1955 0.1955 0.1955 0.1955 0.1955 0.1955 0.9143 0.2594 0.1955 0.1955 0.1955 0.1955 0.1955 0.1955 0.1955 0.1955 0.3489 0.9626 0.9859 1.0854 1.2939 2-stearoyl-GPE (18:0)* LPE 0:0/18:0 0.7619 0.8308 0.5349 0.5246 0.9595 1.2052 1.3218 3.1257 0.9856 1.1672 1.0144 0.4245 1.6446 1.2218 2.0537 1.4823 0.4523 1.7899 1.2390 1.8801 0.8615 1.1669 0.7048 2.6153 0.6837 1.1090 0.7788 1.0977 0.4048 3.4016 0.5879 3.4884 0.5500 1.2153 1.1097 0.5377 0.2061 0.1504 0.3114 0.0723 0.4413 0.3623 0.4047 0.4625 2.6753 3.3218 1.5272 4.9800 3-(4-hydroxyphenyl)lactate (HPLA) 4-Hydroxyphenyllactic acid 1.1223 0.2340 0.4305 0.4213 0.8683 0.5673 0.7126 0.4472 0.6620 0.6886 0.5124 0.1618 10.7867 10.4385 2.8153 0.2497 0.8846 1.0827 0.1478 0.6430 0.8985 1.1097 0.2517 0.9173 0.7115 0.8165 0.2013 2.3846 0.2259 0.4634 0.4898 1.3996 2.4039 2.7156 2.9143 3.1526 5.1557 4.7528 2.9465 3.6741 5.8557 6.4376 4.4981 5.2105 21.8033 26.9454 22.4634 35.7585 3-amino-2-piperidone 3-Amino-2-piperidone 10.9486 0.6049 1.2128 0.7714 13.3109 8.8290 15.0973 0.7672 0.8103 0.6514 0.4411 0.5560 1.2891 1.7734 1.9027 0.6073 1.0418 1.2413 1.3509 1.9282 1.0004 0.9647 1 1.3519 0.5882 0.7894 1.5389 2.8864 0.2957 1.7067 1.2711 2.3755 0.6953 1.1343 0.7862 1.1134 0.6548 0.3334 0.4564 0.5596 0.2957 0.4663 0.5240 0.2957 0.2957 0.9327 0.5520 1.1552 3^-AMP 3'-AMP 1.2742 1.0299 1.3447 2.1830 1.7509 1.3354 1.8602 0.7039 0.2345 0.4843 0.5881 1.0077 0.2433 0.2160 0.9923 1.2046 0.4846 0.6445 2.4443 3.0069 0.9172 1.2264 0.7630 1.2692 0.5626 0.6682 0.3666 0.6606 0.8039 0.4505 0.5274 0.7078 0.9043 1.1144 0.8915 1.2130 4.6065 2.0846 0.9289 1.8059 6.3114 0.4983 0.7375 2.4623 1.4831 1.9669 1.2871 1.1212 3-formylindole 1H-Indole-3-carboxaldehyde 0.4351 0.8952 0.7155 0.9912 0.5320 0.4156 0.8050 1.1176 1.3742 0.9728 0.6799 0.6345 3.4995 3.3612 2.7901 0.9207 1.3089 1.5391 0.5136 0.7414 2.1479 2.8288 1.7698 3.6423 1.8229 1.7525 1.3279 2.3372 0.5108 0.8584 0.5591 1.0088 1.9769 2.1106 1.6729 1.5162 0.3476 0.2251 0.3830 0.4629 0.7918 0.8850 0.5415 0.4485 1.3204 1.2718 1.5787 1.1079 3-hydroxy-3-methylglutarate 3-Hydroxymethylglutaric acid 4.7996 0.9645 2.3697 1.9675 3.0645 2.5197 4.1299 2.4476 3.9076 3.8275 2.9382 0.8876 25.9493 24.1115 1.4523 0.2435 1.2921 0.7746 0.3584 0.5290 0.3007 0.3578 0.4594 1.6594 1.4667 1.4162 0.3078 0.6705 0.5667 1.0355 0.9055 1.7056 0.5477 0.5475 0.8731 0.7761 0.4744 0.3460 0.3606 0.3314 1.1027 0.8358 0.5307 0.5333 6.8760 7.0373 6.9885 11.9814 3-hydroxyisobutyrate 3-Hydroxyisobutyric acid 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 1.9575 2.0430 1.2080 0.4461 0.4461 0.5602 0.4461 0.4461 1.0345 0.9157 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 0.4518 0.9655 0.9238 0.9340 0.9146 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 0.4461 1.8886 1.8470 1.9239 2.8452 3-hydroxylaurate 3-Hydroxydodecanoic acid 2.8793 0.4998 1.3221 1.0017 2.3622 1.6832 1.7563 1.5586 1.2286 1.9019 1.3885 0.6365 12.8556 10.0601 1.2206 0.4128 0.7535 0.5205 0.8134 0.4600 0.7018 0.6479 0.4798 0.7639 0.5765 0.5248 0.4634 0.7487 0.4972 0.6547 0.8246 1.0677 0.7054 0.3414 0.5432 0.5402 2.0420 1.8456 2.5204 1.9843 2.6739 2.3138 2.8864 2.0260 0.9983 0.9145 1.0654 1.5527 3-hydroxyoleate* 5.0477 2.9700 1.8131 2.1357 11.9472 4.7527 17.5909 6.5074 1.4985 1.0325 1.0920 1.1226 2.8297 4.6166 0.4434 1.4190 0.3626 1.0820 0.3616 0.5813 0.3519 0.4456 0.4605 4.6887 0.6339 1.0045 0.3018 0.6084 0.3046 2.1541 0.6183 4.0258 0.4296 1.2465 0.8935 1.1477 0.6829 0.5668 0.4115 0.6563 0.5315 1.4830 0.7320 0.3823 0.8135 0.9955 0.4335 1.8787 3-hydroxyoleoylcarnitine CAR 18:1(9Z);3OH 1.1327 0.2778 0.2778 0.2778 1 0.8896 0.8433 0.2778 0.2778 0.2778 0.2778 0.2778 25.6106 19.8714 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 1.2556 0.9601 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 0.2778 3-hydroxypalmitoylcarnitine CAR 16:0;3OH 1.1874 0.5540 0.5540 0.5540 1.1684 0.6675 0.5540 0.5540 0.5540 0.5540 0.5540 0.5540 21.3103 15.8155 0.5540 0.5540 0.5540 0.5540 0.5540 0.5540 0.5540 0.5540 0.5540 0.5540 0.5540 0.5540 0.5540 0.5540 0.5540 0.5540 0.5540 0.7312 0.5540 0.5540 0.5540 0.5540 1.0853 1 0.8178 0.6146 0.5540 0.5540 0.5540 0.5540 0.5540 0.5540 0.5540 0.5540 3-methyl-2-oxobutyrate Ketoisovaleric acid 1.1094 3.1087 0.7373 0.5419 1.2030 0.6545 1.5939 0.5816 1.3551 1.0114 0.3607 1.5018 1.7552 1.7033 2.3287 0.4060 0.5760 0.9627 0.3607 0.3607 0.8223 0.7909 0.6592 0.9154 1 0.5183 0.3607 1.3456 0.3607 0.4159 0.3607 0.4592 1.1767 0.7863 0.7759 0.5641 0.7211 0.4299 1.4314 0.7963 2.3725 2.0843 1.7458 1.3805 6.9914 4.3678 7.5674 2.2432 3-methyl-2-oxovalerate 3-Methyl-2-oxovaleric acid 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 0.4983 1.5702 1 1.9638 0.8402 3-methylcytidine 3-Methylcytidine 1.5969 0.4773 0.7746 0.7572 1.9636 0.9383 1.7101 1.0617 1.7725 1.7033 0.7813 0.4536 3.7235 2.1496 0.4536 0.4536 0.4536 0.4536 0.4536 0.4536 0.4536 0.6591 0.4536 1.0747 0.4536 0.4536 0.4536 0.4536 0.4536 0.4536 0.4536 0.5356 0.4536 0.4536 0.4536 0.4536 0.4536 0.4536 0.4536 0.4536 0.4536 1.4251 0.4536 0.4536 0.7221 0.4536 0.4715 0.4536 3-methylglutaconate 3E-Methylglutaconic acid 1.4898 0.4177 0.7249 0.6460 1.0604 0.7559 1.3684 0.7708 1.2022 1.3278 0.9396 0.4177 7.5391 7.3996 0.4823 0.4177 0.4177 0.4177 0.4177 0.4177 0.4177 0.4177 0.4177 0.5332 0.5474 0.4662 0.4177 0.4177 0.4177 0.4177 0.4177 0.6365 0.4177 0.4177 0.4177 0.4177 0.4177 0.4177 0.4177 0.4177 0.4177 0.4177 0.4177 0.4177 2.2967 1.9765 2.2967 3.3502 3-methylhistidine 3-Methylhistidine 3.2897 0.4844 2.1107 0.8156 3.6807 1 1.2281 0.9901 1.5511 1.4622 1.3207 0.2712 7.0739 30.0319 0.8806 0.1869 0.1869 0.6980 0.1869 0.1869 0.1869 0.4280 0.1869 0.5899 0.2848 0.1869 0.1869 0.2400 0.1869 0.3275 0.1869 0.7766 1.0985 0.6284 0.7001 0.5905 0.5970 0.6149 1.2719 1.5962 2.5709 2.9611 2.2400 2.7108 1.3605 1.2570 0.8801 1.5923 3-phosphoglycerate 3-Phosphoglyceric acid 6.4652 4.5065 3.3969 3.1325 5.4247 3.1601 5.7686 5.7700 8.2415 5.7994 4.1939 2.9981 0.0153 0.0204 0.7024 0.0860 0.2384 0.3379 0.0249 0.0805 0.7221 0.8160 0.3170 2.2933 0.2954 0.3111 0.0312 0.1616 0.1903 0.1809 0.2165 0.6011 0.8357 0.8865 0.9938 1.0062 1.3973 1.3058 1.0286 1.2282 2.1521 2.2077 0.6566 0.8388 2.7212 2.7424 2.7972 4.8208 3-sulfo-L-alanine Cysteic acid 0.8098 0.7472 2.3077 2.3417 0.7918 0.6002 0.7008 2.0962 1.8318 2.7308 2.5354 0.2981 2.6034 2.3052 1.1167 0.2981 0.2981 0.2981 0.2981 0.7506 0.2981 0.4614 0.4673 1.7937 0.2981 0.2981 0.4131 0.2981 0.2981 0.2981 0.2981 0.4367 0.2981 0.2981 0.2981 0.2981 0.2981 0.8827 0.5186 0.9927 0.6995 1.4941 0.8043 1.0073 1.4771 2.5380 1.1300 2.2143 3-ureidopropionate Ureidopropionic acid 0.1669 0.8319 1.3741 1.4114 0.2697 0.1197 0.2110 0.8131 1.3336 1 1.1104 0.5051 5.0699 6.0054 1.9485 0.7933 1.5064 1.3387 0.4072 0.6766 2.1834 2.8757 0.3617 0.2673 0.6543 0.6932 0.1948 1.8064 0.1197 1.5594 1.0048 1.2064 1.7206 1.7564 0.9899 0.8797 0.1197 0.2113 0.1511 0.1854 1.1077 1.2106 1.0047 1.0789 0.1197 0.1197 0.1197 0.1872 4-acetamidobutanoate 4-Acetamidobutanoic acid 1.4585 0.9476 1 1.0499 1.7904 1.1477 1.0125 0.9906 1.2042 1.2926 1.3384 0.4201 7.6070 6.5029 0.6817 0.4201 1.0604 0.7897 0.4936 0.6881 0.6129 0.7902 0.4404 0.5354 0.6515 0.6249 0.4892 0.5676 0.6481 1.0721 0.4461 0.8404 0.8737 1.5845 0.8450 1.6314 0.7758 0.7133 0.8462 1.1564 1.1208 1.2021 1.0382 1.4535 1.4575 1.3071 1.2369 1.9935 4-cholesten-3-one Cholestenone 1.2023 0.7662 0.7923 0.9812 1.0417 0.8081 1.0587 1.0736 1.2663 0.8756 0.8820 0.5896 2.0749 1.9212 1.8342 0.8373 1.6858 4.2023 0.5290 0.6874 2.3109 2.5090 1.4363 1.6028 2.8788 2.6712 0.6608 1.9869 1.1684 1.0188 0.7092 0.9160 4.7936 4.2968 4.3737 4.2555 0.3197 0.4013 0.2860 0.3150 0.2972 0.4458 0.2860 0.2860 0.5401 0.5681 0.5205 0.6156 4-guanidinobutanoate 4-Guanidinobutanoic acid 2.1795 0.6993 0.3042 0.6613 2.0714 1.6028 1.8479 0.7156 0.6753 0.1965 0.4600 0.4031 11.8529 13.5755 2.9261 1.9639 0.6464 1.1395 0.1965 0.7746 0.7713 0.9386 0.3824 1.7374 0.9348 1.0499 4.2307 5.2932 0.8726 2.4653 2.0982 3.0921 1.0840 1 1.3063 1.4649 0.7321 0.6248 0.5845 0.6187 0.4058 0.6039 0.4243 0.2257 4.0305 3.8407 4.2195 3.3357 4-hydroxyglutamate Erythro-4-hydroxy-glutamic acid 2.8842 0.2873 0.6332 0.2873 2.7239 1.8655 1.2900 0.5310 1 1.0891 0.6351 0.2873 5.3975 5.2828 0.7863 0.5708 0.2873 0.6220 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 0.2873 4-hydroxy-nonenal-glutathione 0.7828 0.5674 1.0606 1.3799 1.0883 0.8749 1.5549 1.0964 1.1890 0.9502 1.1170 0.3538 3.1397 4.0912 0.6243 0.3538 0.3611 0.3538 0.3538 0.3538 0.3538 0.3538 0.3538 0.3538 0.8893 1.0498 0.3538 0.3538 0.3669 0.3538 0.3538 0.6174 0.4078 0.4919 1.0844 1.1456 0.3538 0.3538 0.3538 0.3538 0.3538 0.3538 0.3538 0.3538 0.3538 0.3538 0.3538 0.3538 4-hydroxyphenylpyruvate 4-Hydroxyphenylpyruvic acid 0.0795 0.1615 0.2024 0.1611 0.0633 0.0615 0.0756 0.2666 0.2340 0.2509 0.1950 0.1017 7.5704 5.5337 6.2310 0.8351 2.3752 2.6786 0.4493 0.4141 2.7626 3.5172 1.6459 1.8093 4.0209 3.7604 2.4118 6.5412 0.4507 0.9230 0.7832 1.8410 1.7822 1.5390 1.4381 0.9806 0.6500 0.4770 1.0194 0.6717 1.3810 1.3171 0.7425 0.6267 25.6558 21.3691 30.3852 12.8325 4-imidazoleacetate Imidazoleacetic acid 1.2120 1.2681 0.7318 1.3863 1.5677 0.7310 1.0005 1.0504 1.0436 0.8980 1.1609 0.8540 2.4056 3.5599 1.2107 0.8084 0.3102 0.7905 0.3102 0.9533 0.8667 0.9326 0.3102 1.4946 0.7872 0.3102 0.8697 1.1802 0.3711 0.7940 0.7294 1.2454 0.6524 0.3381 0.5779 1 0.9709 0.8459 1.0474 0.9131 0.9047 1.2924 1.1283 1.0233 2.6292 2.3633 1.9474 2.6470 4-methyl-2-oxopentanoate Ketoleucine 0.2769 1.9720 0.2769 0.2769 0.8566 0.2769 0.9987 0.2769 1.0013 0.2769 0.2769 0.2769 0.2769 0.8486 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 0.2939 0.2769 0.6626 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 0.2769 1.2213 1.0288 0.8688 0.5316 2.6643 2.1351 4.1438 1.8125 5-aminovalerate 5-Aminopentanoic acid 0.1639 0.1639 0.4056 1.3662 0.1639 0.1639 0.1639 0.1639 1.9510 1.2889 0.7759 0.1639 4.3551 6.1695 0.1639 0.1639 0.1639 0.1639 0.1639 0.1639 0.1639 0.1639 0.1639 2.2874 0.1639 0.1639 0.1639 0.1639 0.1639 0.7642 0.1639 0.1639 0.6245 0.7951 0.4705 0.1639 0.5905 0.6501 0.1639 1.4996 0.5725 1.0182 0.9818 0.5907 4.4986 4.6479 3.2987 6.7532 5-(galactosylhydroxy)-L-lysine 5-(Galactosylhydroxy)-lysine 0.7654 0.9512 0.9080 0.9956 0.8629 0.6252 0.7090 0.8746 0.9110 0.8184 0.8259 0.8671 3.7618 3.9377 6.3687 1.9090 4.1235 2.1865 3.0616 3.1698 1.0044 1.1098 4.9740 10.0228 1.9940 1.9663 1.4954 1.7605 3.3525 3.2391 2.3536 3.8426 2.5286 2.5120 2.8875 2.9149 0.9858 0.9888 0.9246 0.8858 0.3559 0.3761 0.3037 0.2959 0.4936 0.4761 0.4302 0.4060 5^- GMP GMP 0.4695 0.6018 1.6962 3.2100 0.3298 0.5122 0.3736 1.4991 0.7420 2.2383 6.4658 0.7206 14.3291 42.1656 0.3104 1.1818 0.1668 0.1714 2.6352 3.3542 0.7012 0.5869 0.4786 1.0359 0.4558 0.4451 0.1210 0.2416 0.4197 0.1288 0.2739 0.2847 0.9641 1.1751 0.8366 1.1237 8.5494 6.0668 3.7925 5.8607 5.4394 0.7451 4.6702 7.7922 5.0499 6.5291 4.4330 10.0060 5-hydroxylysine 5-Hydroxylysine 0.1102 0.7852 0.1429 0.1102 0.1102 0.1102 0.1102 0.1102 0.1102 0.1102 0.1102 0.4807 1.3632 1.1239 2.4913 0.8385 1.6818 0.9802 1.0789 1.3887 1.0115 1.1979 1.0893 2.5013 1.6437 1.2624 0.7899 1 0.6678 1.5421 1.0887 1.5569 0.9428 0.5955 0.7158 0.6586 0.1102 0.1102 0.1102 0.1102 0.1102 0.1102 0.1102 0.1102 0.4470 0.3910 0.4478 0.1102 5-methylthioadenosine (MTA) 5'-Methylthioadenosine 1.1389 0.8115 3.8052 3.8081 1.2159 0.6942 0.9973 1.4303 2.9377 2.7017 2.9054 0.8634 24.2249 26.6249 1.0027 1.4690 0.8669 0.7456 0.6147 0.5932 0.5004 0.6070 0.7437 2.0449 0.8844 1.0639 0.7595 1.0797 0.6847 0.5938 0.3636 0.6379 0.9413 0.9951 0.9810 1.3434 0.4087 0.5009 0.9422 1.0257 5.0897 9.8151 3.4435 4.9210 1.1753 1.4596 0.9406 4.4306 5-methyluridine (ribothymidine) Ribothymidine 0.5503 0.5503 0.5503 0.5503 0.6104 0.5503 0.5503 0.8904 1.8829 1.1238 0.7218 0.5503 1.4789 1.1902 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 0.7842 1.1096 0.5503 0.5503 0.5503 0.5503 0.5503 0.5503 5-oxoproline Pyroglutamic acid 1.5454 0.5405 0.9904 0.7792 1.3461 1.0524 1.2557 0.6894 1.0096 0.7925 0.6857 0.3378 6.3539 6.3211 1.2421 0.2720 1.0678 0.7970 0.5397 0.7305 1.0514 1.3189 0.4396 0.7723 0.5970 0.6165 0.3089 0.5540 0.1562 0.7446 0.5439 1.0520 1.5538 1.5127 1.4464 1.3147 0.9283 0.7475 0.8725 0.8595 1.0332 1.0482 1.0230 1.1095 2.0062 2.2320 2.1440 3.0098 7-HOCA 7alpha-Hydroxy-3-oxo-4-cholestenoic acid 0.2563 0.2563 0.2563 0.2563 0.2563 0.2563 0.2563 0.2563 0.2563 0.2563 0.2563 0.2563 0.2563 0.2563 0.8943 0.2563 1.8542 0.6991 0.2563 0.2563 9.8418 11.6204 0.3237 0.2563 0.9728 1 0.2563 0.4392 0.2563 0.2563 0.2563 0.2563 1.3171 1.1849 0.2563 0.2563 0.2563 0.2563 0.2563 0.2563 0.5972 0.7227 0.2563 0.4408 1.4255 1.6555 1.4491 1.7738 7-hydroxycholesterol (alpha or beta) 7beta-Hydroxycholesterol 3.3855 1.5581 2.1225 2.1464 3.2258 2.3123 3.9809 1.6958 1.6134 1.4761 1.3145 0.8751 5.0610 4.8265 1.2589 0.5583 1 0.6045 0.3451 0.5506 1.2413 1.6263 1.3619 3.9113 0.6865 0.5463 0.3250 0.4174 0.3405 0.9008 0.7124 0.9802 2.9431 2.4738 2.0464 1.8459 0.3028 0.4365 0.3416 0.3280 0.7060 0.7410 0.3028 0.4214 0.7839 0.7408 0.5676 1.2180 7-methylguanine 7-Methylguanine 0.8333 0.2616 1.1209 1.1072 1 0.8331 1.0002 1.3790 2.0681 1.5699 1.2360 0.4739 3.0590 2.0672 0.8288 0.2616 0.2616 0.2616 0.2616 0.2616 0.2616 0.2616 0.2616 0.9128 0.2616 0.2616 0.2616 0.2616 0.2616 0.2616 0.2616 0.2616 0.2616 0.2616 0.2616 0.6905 0.2616 0.2616 0.2616 0.2616 1.0230 1.2727 0.5450 0.5055 0.8830 1.0146 0.8062 0.7016 acetylcarnitine (C2) CAR 2:0 2.5617 0.2110 0.5405 0.4008 2.6231 1.6642 1.7461 0.2869 0.5371 0.4610 0.4335 0.1736 9.6011 11.4616 1.5466 0.5362 1.0561 0.7480 0.3787 0.5175 0.9426 1.1822 0.4654 0.5240 0.8017 0.8508 0.5201 0.6947 0.3707 0.8861 0.7247 1.3333 1.0112 1.0058 0.9642 0.9942 3.8298 3.2521 2.8894 3.0840 2.9553 3.2894 2.7668 2.5017 6.8646 7.0560 6.5919 5.3655 acetylphosphate Acetylphosphate 3.2112 2.1605 2.4317 2.6295 2.9186 1.4740 2.6046 3.7393 5.0035 3.6551 2.7923 1.4134 1.6433 1.7544 1.0503 0.1450 0.5268 0.5559 0.1186 0.2612 0.5569 1.2678 0.4004 1.6343 1.1653 1.0371 0.1595 0.3038 0.3949 0.3886 0.6180 0.9622 0.6357 0.6703 0.7017 0.8778 0.8897 0.6037 0.7272 0.9629 1.3872 0.8886 0.6325 0.6044 2.0491 2.0804 1.7824 3.7057 aconitate [cis or trans] cis-Aconitic acid 0.9428 0.4811 0.6877 0.8614 0.8103 0.7573 0.7091 0.5602 0.4137 0.5869 0.6832 0.5611 4.1536 4.5754 2.1043 0.6050 1.5976 1.2953 0.9341 0.9241 0.9916 1.0703 1.3360 2.4674 2.0102 1.8790 0.8622 0.7395 0.8542 1.2709 1.0952 1.8295 1.1762 1.1890 1.1470 1.0084 0.7887 0.6360 1.3140 1.2892 1.0936 1.1185 1.1339 0.9912 0.8480 1.0161 0.8410 2.3230 adenine Adenine 1.3847 1.6210 1.9354 2.5557 1.7130 1.6770 2.1496 1.9735 2.4486 2.4285 2.7940 1.5707 2.7651 4.9631 0.3748 0.5377 0.7265 0.6714 0.3662 0.4904 1.0087 1.3293 0.6700 1.8288 0.9286 1.0981 0.3617 0.6517 0.6094 0.4272 0.3789 0.8043 0.8761 1.0495 0.9913 1.0417 0.6484 0.7637 0.8447 0.8497 0.9008 1.2310 1.0954 1.3223 0.9586 0.9449 0.7332 1.7052 adenosine Adenosine 3.9826 4.5033 7.3839 16.3960 2.3772 1.3150 1.5175 3.9448 4.1569 5.7013 7.8079 4.1799 18.3549 42.3229 0.3553 0.3258 0.2514 0.2861 0.3085 0.4654 0.5758 1.3531 1.4361 3.0939 0.4562 0.4621 0.2628 0.2960 0.3581 2.0293 1.8278 2.0896 0.5309 0.5781 0.6347 0.6466 0.7040 0.5870 1.1037 1.2859 0.6946 0.8894 0.8626 1.0425 0.7066 0.9575 0.6341 1.5256 adenosine 3^_5^-cyclic monophosphate (cAMP) 3',5' cyclic AMP 0.8182 1.1634 0.9200 1.8795 1.0972 0.7403 1.5827 1.1308 1.2775 1.4308 1.2935 0.2228 2.4207 2.7879 0.6781 0.2228 0.2228 0.5578 0.2228 0.2228 0.4134 0.9844 0.2228 1.2638 0.5404 0.2228 0.2228 0.2228 0.2228 0.2228 0.2228 0.5276 0.8942 0.9528 0.2228 1.3137 0.2228 0.2228 0.2228 0.2228 1.1236 1.0156 0.2228 0.2228 0.6194 0.8782 0.6612 1.3317 adenosine 5^-diphosphoribose (ADP-ribose) ADP-ribose 2.2626 1 2.1641 2.2049 2.0813 2.0936 2.5460 2.9349 0.6717 2.7793 2.9237 0.6685 0.2799 5.7892 0.2799 0.2799 0.2799 0.2799 0.2982 0.4710 3.4023 4.1321 0.3302 2.8140 2.3914 3.1266 0.2799 0.2799 0.9511 0.3803 0.4021 2.0354 2.1897 2.4858 3.3699 3.5989 0.7117 0.5176 0.5600 0.7343 0.3507 0.2799 0.5545 0.8916 0.7987 0.8299 0.8641 0.9654 adrenate (22:4n6) Adrenic acid 1.1900 1.0939 0.7971 0.7806 2.4363 1.2253 3.9631 1.9912 0.2685 0.5962 0.4212 0.3327 1.1220 1.2560 0.8569 3.1066 1.0523 2.9691 2.3243 3.1794 0.5787 0.6347 0.5293 4.5605 1.0663 1.5802 2.2650 2.3511 0.2809 7.7959 1.4971 11.7278 0.4795 1.4547 0.9882 1.0011 0.9206 0.6863 0.7211 0.9705 0.8183 1.3412 0.9989 0.4019 0.5049 0.4534 0.2833 0.6159 alanine Alanine 0.7998 1.1997 0.9182 0.9452 0.9665 0.6059 0.7268 1.0172 0.9335 1.0074 0.9508 0.8605 2.7935 2.8274 2.5521 0.7968 0.9536 1.5215 0.6042 1.0175 1.1679 1.2941 0.9999 1.6437 1.1065 0.9756 1.0001 1.2338 0.6172 1.1671 0.9881 1.3835 1.2587 1.1786 1.1800 1.0051 0.3488 0.3305 0.5229 0.4839 0.8823 0.7841 0.5363 0.5664 1.5220 1.4786 1.4777 1.1879 alanylleucine Ala-Leu 0.0711 1.5858 0.0711 0.2808 0.2107 0.1385 0.2290 0.1725 0.1545 0.1340 0.1554 0.7195 0.0830 0.0947 0.8213 2.6909 4.3999 1.9595 10.1237 2.1280 2.3492 2.8418 6.4849 0.6619 4.7346 5.2075 1 1.1744 2.5934 2.2278 0.6959 0.2378 2.1142 2.5244 1.8957 2.0989 0.0711 0.0711 0.0711 0.0711 0.0711 0.0711 0.0711 0.1408 0.0711 0.0821 0.0711 0.0711 allantoin Allantoin 0.4646 1.3846 2.4292 2.4624 0.7067 0.3031 0.2590 1.8132 2.3932 2.0105 2.0428 0.8552 9.2042 5.0714 1 0.1408 0.8159 0.4799 0.4759 0.2758 0.3342 0.5130 0.1408 0.4096 0.1408 0.2213 0.7106 0.2026 0.3887 0.1408 0.3315 0.7195 0.8831 0.9484 0.5000 1.2146 1.6152 1.3043 1.4682 1.1616 2.5773 1.8362 1.9164 1.9043 2.9410 3.0916 3.4020 4.1481 alpha-hydroxyisovalerate 2-Hydroxy-3-methylbutyric acid 0.1970 0.1970 0.1970 0.1970 0.1970 0.1970 0.1970 0.1970 0.1970 0.2899 0.2409 0.1970 0.4120 0.2655 0.3456 0.1970 0.5946 0.1970 0.1970 0.1970 1.0090 1.0400 0.1970 0.1970 0.1970 0.1970 0.1970 0.1970 0.1970 0.3719 0.4114 0.4252 0.6366 0.4446 0.1970 0.1970 1.3236 1.1445 0.9910 1.1783 2.1777 2.2221 2.5478 2.8522 2.1594 1.8599 1.8884 3.1181 alpha-ketoglutarate 2-Oxoglutaric acid 0.8731 1.3523 2.4882 1.5583 0.7480 0.5247 1.0566 1.3763 2.2457 2.1198 1.4942 0.9335 16.3132 12.9271 3.2697 0.4174 0.7921 0.9050 0.5037 0.6564 0.5272 0.5718 1.5925 3.4946 1.0626 1.0088 0.7229 0.8534 0.7152 0.8472 0.6944 1.3694 0.9459 0.9212 1.2672 1.0449 0.4719 0.2769 0.7080 0.5194 0.9912 1.2629 1.0428 0.7179 2.4592 1.6780 2.8223 1.7960 alpha-tocopherol alpha-Tocopherol 0.5163 14.0445 13.9306 10.6011 0.2316 0.6079 0.2316 6.3313 7.2564 20.6114 18.8455 11.9422 0.7321 0.6111 3.2589 0.7805 0.5176 0.4416 1 0.6975 1.8384 0.8650 0.7581 0.2316 0.5415 0.5331 0.5023 0.2316 4.3452 1.2010 0.8195 1.1767 0.2316 0.2316 0.2316 0.2316 0.8450 0.8548 2.8514 2.6465 11.5698 11.1753 8.6876 9.2704 1.0563 0.8657 0.8429 0.7344 AMP AMP 1.2072 0.6209 1.6285 2.4457 1.1949 0.9338 1.2566 1.5803 1.0705 2.3003 5.4084 0.5986 16.6304 53.5440 0.9779 0.6426 0.5005 0.6144 1.2208 0.3631 0.9451 1.0221 0.6812 0.5712 0.6140 0.6523 0.3457 0.5451 0.4249 0.3985 0.3356 0.4917 0.7063 0.7750 0.3350 0.8255 10.8797 9.6819 5.5424 9.3589 3.0904 0.9058 9.2601 12.9865 4.8052 6.4772 4.4509 9.6539 arabitol/xylitol Arabitol 0.9745 0.1988 1.2696 0.8880 0.4936 0.3933 0.5691 1.0057 1.3047 1.5045 0.7527 0.1988 0.1988 0.1988 0.1988 0.1988 0.2525 0.1988 0.1988 0.2076 0.1988 1.3043 0.1988 1.1023 0.1988 1.4282 0.6088 0.1988 0.1988 0.1988 0.3705 0.7446 0.1988 0.1988 0.1988 1.0766 1.5410 0.1988 0.1988 0.7568 2.8020 2.9093 0.9034 0.9943 1.4806 1.3063 1.4417 1.4383 arabonate/xylonate Arabinonic acid/Xylonic acid 1.0791 1.0659 0.4619 0.4619 0.7314 0.4964 0.4619 1.0343 0.4619 0.7388 0.6820 0.6203 3.5173 3.7598 1.5532 0.4619 0.8433 0.8465 0.6508 1.0552 1.2521 1.3588 0.8814 1.4706 1.2018 1.2687 0.7789 1.2445 0.4694 1.1319 1.0557 0.9925 1.0994 1.1443 1.2060 1.2251 1.1610 1.0075 0.8712 0.5372 0.7875 0.7084 0.6663 0.4619 0.9785 0.4619 0.8742 0.8384 arachidate (20:0) Arachidic acid 1.0279 0.8770 0.7753 0.7295 1.9051 1.3449 2.4286 2.2493 0.7103 0.7069 0.6673 0.6372 1.2005 1.3145 0.6838 1.8621 0.4995 1.2812 0.7836 1.0862 0.7624 0.8394 0.5898 3.3104 0.7694 1.3348 0.9746 0.8579 0.5906 3.4816 0.9875 4.2155 0.4078 1.2258 1.0043 1.3508 1.0829 0.9425 0.7633 1.4070 0.9957 2.0555 2.0959 0.9814 1.0630 1.0637 0.5845 1.0169 arachidonate (20:4n6) Arachidonic acid 2.3552 0.9095 0.6928 0.6088 4.9925 2.4473 6.7815 3.2505 0.3326 0.6239 0.6316 0.3819 0.8610 0.8441 1.4758 7.3235 1.0643 4.0482 2.8524 4.9062 0.8518 0.9472 0.7042 10.0851 1.1308 2.0994 5.6229 2.8038 0.4605 9.9843 2.1005 13.9086 0.4639 1.7874 1.1529 1.0528 0.7427 0.4810 0.4034 0.7514 0.9466 1.7465 1.3472 0.6477 0.7891 0.8586 0.4302 0.8262 arachidonoylcarnitine (C20:4) CAR 20:4 1.3555 0.3303 0.3303 0.3303 2.0852 0.8728 1.7934 0.3303 0.3303 0.3303 0.3303 0.3303 9.6085 15.6093 0.3303 0.3303 0.3303 0.3303 0.3303 0.3303 0.3303 0.3303 0.3303 0.4206 0.3303 0.3303 0.3303 0.3303 0.3303 0.3303 0.3303 0.8926 0.4639 0.8722 1 1.6428 3.4048 2.6051 0.3303 0.3303 0.4357 0.7377 0.3303 0.3303 0.3303 0.3303 0.3303 0.3303 arachidoylcarnitine (C20)* CAR 20:0 3.3967 0.7812 0.5554 0.7675 3.7070 2.2554 2.7399 0.7561 0.9056 0.5554 0.5554 0.5554 3.9365 3.8991 0.5554 0.5554 0.5554 0.5554 0.8168 1 0.6577 0.7765 1.4010 5.4900 0.5554 0.5554 0.8680 0.5554 0.5554 1.2449 0.8319 2.1880 0.5554 0.5554 0.5554 0.5554 2.5353 2.2352 1.8963 2.0323 0.5554 0.8513 0.6601 0.5554 0.5554 0.6862 0.5554 0.9070 argininate* Argininic acid 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 0.1375 1.0671 1 0.3863 0.3453 0.1375 0.3330 0.1375 0.3036 4.3082 4.8304 3.6260 1.9472 arginine Arginine 0.5584 1.3006 0.7096 0.7270 0.6940 0.4610 0.5927 0.7144 0.6899 0.6623 0.6034 1.0066 1.4786 1.4175 2.2912 0.9019 1.1633 1.5559 0.6352 0.9291 1.3125 1.4565 1.2872 1.6580 1.3208 1.2368 0.9934 1.2551 0.8283 1.4066 1.3162 1.4565 1.4269 1.3199 1.3796 1.2753 0.1931 0.1855 0.2647 0.2643 0.6921 0.5682 0.3536 0.3731 1.2272 1.1769 1.1939 0.7987 argininosuccinate Argininosuccinic acid 0.4502 1.5256 1.7627 1.7838 0.4468 0.3035 0.4229 1.6192 2.1433 2.2659 1.4200 0.7589 21.8456 17.8305 3.9004 0.5437 0.6294 1.2226 0.9550 0.9546 0.7740 0.9005 0.7697 1.7053 1 1.0642 0.5825 1.3430 0.2650 1.0517 0.6837 1.5283 1.0536 1.0970 1.0880 0.9749 0.1344 0.1344 0.1344 0.1561 0.3486 0.3406 0.1344 0.1899 1.0117 1.0519 0.9772 1.3309 asparagine Asparagine 0.7726 1.2267 1.0200 1.1322 0.8645 0.6528 0.7194 1.9072 1.3845 1.7242 1.5583 0.9200 2.6296 2.4007 2.5606 0.5381 0.7013 1.2046 0.5967 1.0066 0.9804 1.0843 0.9934 2.0140 0.9477 0.8872 0.7118 0.9451 0.5416 0.8182 0.8246 1.3824 1.0695 1.0360 1.0760 0.9437 0.3661 0.3435 0.5376 0.5796 1.8384 1.3535 0.6226 0.9081 2.2803 2.3526 2.2339 1.6662 aspartate Aspartic acid 1.4849 1.3545 2.8767 2.2780 1.4724 1.2641 1.9328 1.9089 2.4575 2.3564 1.8175 0.9966 12.1200 11.3877 2.0752 0.3117 0.6661 1.0063 0.6086 0.8476 0.8497 1.0034 0.8047 1.7409 0.6910 0.7093 0.6443 1.0821 0.4823 0.5648 0.4758 0.9405 0.7404 0.7521 0.7735 0.7648 0.5138 0.4313 0.5826 0.7179 1.0909 1.1896 0.4643 0.6250 1.3185 1.3471 1.3043 1.9890 behenoyl dihydrosphingomyelin (d18:0/22:0)* SM 18:0;O2/22:0 3.8564 0.8506 1.7229 1.8527 4.2670 1.7687 4.4073 1.2066 1.1523 1.5265 1.3812 0.4216 1.7731 1.4073 1.9030 0.1714 0.4607 0.9804 0.7592 0.8301 0.7305 0.8217 1.4873 4.0450 0.6310 0.6323 0.8091 1.0170 0.2383 0.4869 0.2450 0.6586 1.9005 2.0189 1.8150 1.5075 0.3521 0.2954 1.0803 0.8365 2.8351 2.8317 0.9313 0.9852 0.8426 0.9157 0.7717 1.0148 behenoyl sphingomyelin (d18:1/22:0)* SM 18:1;O2/22:0 2.0667 0.7684 0.7676 0.8659 2.1208 1.2248 1.8682 0.9492 1.2257 0.9838 1.1999 0.4738 1.1810 1.2704 1.4167 0.4126 0.6730 1.0162 0.7202 0.7481 1.3105 1.1761 1.2228 1.4773 0.8153 0.6960 0.7518 0.9006 0.4119 0.5973 0.3702 0.6227 1.6246 1.6514 1.5549 1.1662 0.3739 0.3101 0.5150 0.5038 1.2487 1.1562 0.7285 0.8373 1.4381 1.5431 1.3548 1.6092 beta-alanine beta-Alanine 1.3950 0.7705 1.0497 1.3566 1.9670 0.8768 1.1912 0.8416 1.8207 1.4732 1.0025 0.5144 8.7802 8.4219 0.5076 0.1802 0.8423 0.8471 0.5306 0.4220 0.7243 1.4458 0.1859 0.6127 0.4599 0.9197 0.9975 0.6046 0.2332 0.5434 0.4878 1.0694 0.9224 0.5448 0.9250 0.6603 5.7650 4.9386 4.4016 4.1567 2.9218 3.1643 2.5830 2.7653 12.7461 13.5089 11.9628 16.5356 beta-citrylglutamate Beta-Citryl-glutamic acid 0.4253 0.3343 0.7490 0.7001 0.3750 0.2848 0.4515 0.8546 1.0717 1.2291 1.0319 0.2744 6.5410 5.8310 3.7711 0.9486 1.3456 1.9329 1.0433 1.3098 0.2427 0.3304 0.9587 1.2982 1.1335 1.2182 1.3079 2.2328 0.9681 0.7344 0.6786 1.3973 1.4520 1.5909 1.1227 1.1053 0.2033 0.2143 0.2639 0.3261 0.3505 0.4332 0.1971 0.2746 1.5295 1.7623 1.5256 2.3121 beta-guanidinopropanoate 3-Guanidinopropanoic acid 0.6926 0.2516 1.2246 0.9312 0.5427 0.3376 0.2516 0.7367 1.2834 1.3828 0.6831 0.2516 6.5369 5.8834 0.2516 0.2516 0.2516 0.2516 0.2516 0.2516 0.2516 0.2516 0.2516 0.2516 0.2516 0.2516 0.2516 0.2516 0.2516 0.2516 0.2516 0.3897 0.2516 0.3352 0.4551 0.3603 2.0486 1.0774 1.0885 0.9589 0.8838 1.4437 0.6226 1.0411 2.6191 3.5491 3.1790 5.9047 beta-hydroxyisovalerate 3-Hydroxyisovaleric acid 0.6852 1.4024 1.1337 2.0999 0.7296 0.9156 1.2329 0.9645 1.0008 0.9777 1.1668 0.8126 5.6500 4.8172 3.6183 0.7948 0.8733 1.2884 0.9845 1.2092 1.2526 0.9919 0.7006 1.1116 0.9992 0.9425 0.8093 1.1968 0.6763 0.8178 0.6209 1.0500 2.3342 2.1531 1.8191 1.6875 0.5286 0.5333 0.5679 0.6095 1.1568 0.9551 0.7549 0.8969 2.1608 2.1038 2.1851 2.5442 beta-hydroxyisovaleroylcarnitine CAR 4:0;OH,Me 0.8939 0.2365 0.2839 0.4490 0.4473 0.2920 0.6122 0.2365 0.2827 1.2415 0.6787 0.2819 15.6909 16.3680 3.6448 1.7551 1.0691 1.4694 1.0499 1.0124 0.9983 1.0736 0.8486 0.8649 1.6795 1.6680 1.2801 1.9753 0.2365 1.4149 1 1.5799 1.1478 0.3958 1.0886 0.8296 0.4384 0.2443 0.2365 0.2758 0.5956 0.9934 0.3766 0.3385 4.0934 4.0430 3.9359 6.3699 betaine Betaine 1.1630 0.4732 1.1911 0.9835 1.1982 0.8074 0.7821 0.8240 1.1992 1.0351 0.9230 0.3247 16.6127 16.6589 1.9167 0.1988 0.9145 0.9096 0.4350 0.6399 1.0833 1.0165 0.6880 0.5820 0.9181 0.9030 0.2853 0.9622 0.3305 0.5211 0.3595 0.6982 0.9335 0.9454 1.4106 1.0586 6.8601 5.2182 5.2462 5.4177 16.3456 17.9156 11.5070 10.5909 8.0191 8.8688 8.1369 11.2727 bilirubin Bilirubin 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.9278 0.5597 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 0.2046 2.2286 2.2445 0.8085 1 2.0841 1.7428 2.0166 0.9222 butyrylcarnitine (C4) CAR 4:0 1.8253 0.3786 1.3212 0.9505 1.1168 0.8613 1.4787 1.0495 1.3879 1.6408 1.7250 0.0518 18.5855 22.4797 0.2372 0.0518 0.0861 0.0518 0.0656 0.0518 0.0860 0.0534 0.4435 0.0518 0.0518 0.0518 0.0518 0.0518 0.2094 0.3080 0.2768 1.0593 0.3351 0.1354 0.5349 0.5245 2.3945 1.5603 2.3843 2.2832 24.2813 25.1141 15.6777 17.8284 0.5767 0.4655 0.5727 1.5137 carnitine Carnitine 1.2814 0.3958 1.3413 0.9783 1.3269 0.9655 1.0341 0.9523 1.1389 1.3096 0.9453 0.3234 5.1609 5.0020 1.1830 0.4867 0.9904 1.0241 0.3394 0.5875 0.8329 0.9169 0.5935 0.6291 1.4520 1.4832 0.4552 1.3915 0.4081 1.2189 1.0096 1.7536 0.6162 0.6532 0.8306 0.8336 1.1636 1.1337 0.8237 1.1471 0.7728 0.8372 0.8426 1.1030 1.2087 1.5824 1.0996 2.9247 carnosine Carnosine 0.1994 0.1289 0.1913 0.1390 0.3048 0.2373 0.2050 0.1663 0.2017 0.1896 0.1289 0.1289 53.2999 44.8581 5.9482 2.5989 3.0603 0.7851 0.1289 1.4015 3.4762 4.4814 1.3334 1.8491 4.1393 4.9591 0.1289 3.1595 0.1289 4.0618 4.0064 6.4134 1 1.4777 2.4385 2.6385 0.5800 0.3393 0.2506 0.5651 0.3164 0.2070 0.2756 0.1917 0.9941 0.7674 1.1452 1.9100 CDP-ethanolamine CDP-Ethanolamine 0.8962 0.5697 1 0.6872 0.5697 0.5697 0.5697 0.7126 1.4059 1.2568 0.7967 0.5697 16.3619 18.7422 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.7725 0.5697 0.9348 0.5697 0.5697 0.5697 0.5697 0.5697 0.9790 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 0.5697 1.3581 1.4225 1.2450 2.7858 ceramide (d16:1/24:1_ d18:1/22:1)* Cer 40:2;O2 5.3899 0.3648 0.3417 0.4392 6.0577 3.6033 5.3685 0.4600 0.5135 0.4646 0.4818 0.2586 1.7866 1.3995 1.8836 1.4550 0.8773 1.7194 1.6497 2.1004 1.2368 1.5556 1.3221 4.5674 0.8510 0.9029 1.6185 2.2454 0.5476 1.6165 1.0768 1.4863 1.0481 1.1021 0.2783 0.1753 0.9675 0.2387 0.9494 0.9482 1.0325 1.1203 0.6770 0.6178 0.3956 0.1610 0.1931 0.2716 ceramide (d18:1/14:0_ d16:1/16:0)* Cer 36:1;O2 2.1285 0.8336 0.8207 0.7687 2.0051 2.1490 2.1188 1.0437 1.2618 1.0707 1.0036 0.8417 1.5611 1.5652 1.5018 1.2719 0.5719 1.0511 0.6939 0.7513 0.7625 0.7073 0.9964 2.3092 0.7170 0.7855 0.8360 1.3588 0.7539 0.8362 0.7757 0.9154 0.9811 1.1453 0.7990 0.7757 2.4179 2.7733 2.4266 2.5053 2.6918 2.7839 2.0211 2.2074 0.4325 0.3294 0.3911 0.2623 ceramide (d18:1/17:0_ d17:1/18:0)* Cer 35:1;O2 5.5774 0.5593 0.5160 0.6093 6.0904 4.2589 6.1304 0.3242 0.3574 0.3220 0.2696 0.3318 1.9901 1.5081 1.5018 0.9674 0.8240 1.5999 1.7896 2.0672 2.5855 3.0847 2.2073 6.2415 1.0361 1.0730 1.6282 2.2237 0.5589 1.4198 0.9530 1.4408 1.6453 1.5413 1.2510 1.0326 0.1962 0.1798 0.2477 0.2325 0.3275 0.3619 0.2121 0.1963 0.1645 0.1978 0.1811 0.1194 ceramide (d18:2/24:1_ d18:1/24:2)* Cer 42:3;O2 1.6730 0.4546 0.3638 0.4369 1.7348 1.0619 1.3764 0.5810 0.6230 0.5424 0.5310 0.3064 1.1898 0.9362 1.5576 0.9069 0.8030 1.3042 1.1174 1.3579 1.2372 1.4853 1.0849 3.0757 0.6983 0.7753 1.3022 1.2488 0.5324 1.2262 0.8953 1.2309 0.8782 0.9285 0.7065 0.6519 2.2160 1.8244 2.0236 2.1736 1.3081 1.5343 1.0613 0.9387 0.3228 0.3282 0.3182 0.2090 C-glycosyltryptophan C-Glycosyltryptophan 1.8894 4.9027 4.4492 4.7337 2.3223 1.9272 2.2015 0.9998 1.0002 1.1316 0.8157 3.6734 4.1817 4.0128 1.4291 0.4083 1.2630 0.3930 0.4039 0.6121 0.5824 0.7048 1.7963 3.6168 1.9592 2.1489 0.4344 0.4634 0.9713 1.5751 1.3445 2.3752 0.7254 0.6913 0.6468 0.7486 0.2865 0.2865 0.2865 0.2865 0.2865 0.2933 0.2865 0.2865 0.3442 0.4435 0.3507 0.3121 cholesterol Cholesterol 1.1406 0.8465 1.0593 1.0991 1.1030 0.7369 0.8528 1.3715 1.2258 1.4099 1.2501 0.6529 1.6351 1.1160 1.6642 0.4847 1.0106 0.8993 0.7747 0.7048 1.6248 1.6664 1.2661 1.4342 0.8509 0.8669 0.6996 0.7996 0.4800 1.0183 0.6731 0.7990 1.2953 0.9894 0.9053 0.7152 0.6185 0.4633 0.7233 0.6106 1.3310 1.1845 0.9679 0.8404 1.2812 1.4134 1.4662 1.1398 choline Choline 1.9135 0.6477 0.6546 0.5827 1.9367 1.5132 1.8636 0.6964 1.1592 0.8737 0.5986 0.4482 5.6531 5.3628 2.4784 0.5729 1.0103 1.1301 0.6104 0.6978 0.9897 1.0533 0.9440 1.1736 0.6218 0.6176 0.5897 0.6517 0.4612 0.7452 0.6105 0.7228 0.8547 0.8238 0.8929 0.8431 1.6064 1.3135 1.6127 1.5500 4.1729 4.6036 3.2685 2.8497 1.5103 1.4610 1.5041 1.8701 citrate Citric acid 0.6091 0.4351 0.4669 0.5428 0.5823 0.5652 0.5448 0.3614 0.3126 0.3803 0.4606 0.4086 4.6421 4.9228 2.0127 0.6782 1.5904 1.4899 1.1029 1.2539 0.9525 1.1061 1.3028 1.7322 1.5725 1.5903 1.1180 1.0099 0.8603 1.4914 1.0605 1.9187 0.9418 0.9901 0.9055 0.8508 0.6450 0.6307 1.4472 1.3326 1.1942 1.3872 1.5388 1.3851 0.6904 0.9328 0.7185 1.9361 citrulline Citrulline 1.1916 1.1038 1.2058 1.0687 1.4463 0.9768 1.0057 1.1444 1.6343 1.3405 1.1686 0.9341 1.1212 1.3894 0.6047 0.3908 0.6418 0.7595 0.6034 0.4294 0.6406 0.8570 0.4880 0.7926 0.7875 0.3744 0.8557 0.4316 0.7232 0.7444 0.7453 0.5715 0.9943 0.9772 0.8159 0.8130 1.8320 1.9181 2.0032 2.4041 6.5194 4.8379 2.7341 3.0248 3.5446 3.8311 2.0961 3.7885 CMP CMP 0.5177 1.1561 1.8653 1.7096 0.5102 0.4662 0.6509 1.5403 1.2908 2.2919 2.6068 0.7562 5.4565 8.1157 0.6969 0.2669 1.0945 0.7615 0.3278 0.4646 0.6273 0.7239 0.9899 1.7119 1.0962 1.1739 0.1784 0.5520 0.4704 1.3757 0.9298 1.4125 0.5123 0.4504 0.4978 0.6407 0.7996 0.7958 0.8453 1.0101 1.2038 1.4462 1.2292 1.3075 3.0970 3.4547 3.0347 5.2012 CoA Coenzyme A 0.8554 1 4.0518 3.4360 0.8972 1.3389 0.8134 4.9256 5.8350 5.7906 4.1922 1.1706 6.9357 6.6374 0.2992 0.2992 0.2992 0.2992 0.2992 0.2992 0.2992 0.2992 0.2992 0.4883 0.2992 0.2992 0.2992 0.2992 0.2992 0.2992 0.2992 0.4131 0.2992 0.2992 0.2992 0.2992 0.4145 0.4237 0.4724 0.6800 1.2393 1.4210 0.6042 0.8796 0.2992 0.5050 0.2992 1.2033 CoA-glutathione* Glutathionyl-CoA 0.6511 0.2150 1.6108 2.7664 0.6100 1 0.8743 2.0955 1.7383 2.0916 3.2523 0.1216 1.6596 1.6429 0.1216 0.1216 0.1216 0.1216 0.1216 0.1216 0.1216 0.1216 0.1216 0.1216 0.2802 0.3741 0.1216 0.1216 0.1216 0.1216 0.1216 0.1613 0.1216 0.1216 0.2233 0.2547 0.1216 0.1216 0.1216 0.1216 1.5421 1.4813 0.7887 1.4264 0.1216 0.1216 0.1216 0.1216 creatine Creatine 1.4234 1.1162 2.3840 2.0493 1.4174 0.8623 1.0033 1.4973 1.9878 2.0653 1.6938 0.9616 10.8199 10.6827 0.9546 0.5198 0.7443 0.8049 0.3661 0.6644 0.6126 0.7632 0.6217 1.0455 1.5329 1.6242 0.4111 1.0766 0.8275 1.2673 0.9839 1.9983 0.9211 0.9967 1.2307 1.3397 0.6254 0.6054 0.3578 0.4404 0.2705 0.3494 0.2972 0.3409 2.5240 2.7904 2.3849 3.2189 creatine phosphate Phosphocreatine 1.7870 1.2172 0.2268 0.1774 2.1305 0.0811 0.2820 0.7348 1.7358 0.9437 0.4418 1.3508 28.1139 27.6901 3.1273 0.8517 1.5763 1.3833 0.6662 0.9753 0.8551 0.9543 1.5023 2.2606 4.8874 4.7806 0.6157 2.3558 2.7596 3.7015 3.2671 6.9850 1.9251 1.9129 3.5186 3.1664 0.3219 0.2552 0.1705 0.2032 0.1432 0.1190 0.0811 0.1017 0.9447 0.9214 1 0.5059 creatinine Creatinine 1.0338 0.8531 1 0.9870 1.2755 0.5200 0.7246 0.7552 1.3022 0.9766 0.8637 0.6698 12.1649 12.5643 1.6955 0.6723 0.8299 1.0390 0.5029 0.9452 0.8004 1.0389 0.8453 1.6160 1.7388 1.8079 0.6958 1.3643 1 1.6580 1.1352 2.7011 1.1942 1.3471 1.4836 1.6841 0.4919 0.4984 0.4502 0.5170 0.4834 0.6663 0.4786 0.5592 1.2250 1.3950 1.1597 1.4641 cyclic dGSH 0.5582 0.2952 4.4118 0.3306 0.2952 0.2952 0.2952 0.4354 1 1.5831 0.2952 0.2952 39.6303 23.3517 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 0.2952 cystathionine Cystathionine 2.4863 1.0345 2.5625 1.8164 2.2664 1 1.2925 3.7702 5.5632 5.5687 4.3292 0.9233 3.5386 3.6046 0.0903 0.0903 0.0903 0.0903 0.0903 0.0903 0.0903 0.0903 0.2225 0.5351 0.0903 0.0903 0.0903 0.0903 0.0903 0.0903 0.0903 0.2362 0.1144 0.0981 0.2218 0.1235 0.0903 0.0903 0.4609 0.3033 1.5783 1.7129 0.6639 0.8354 0.0903 0.0903 0.0903 0.2469 cysteine Cysteine 0.6955 1.4931 1.7020 2.0331 0.7398 0.4227 0.4676 1.0323 1.0078 1.1132 0.9922 1.1140 1.7147 1.7601 1.2437 0.1725 0.2762 0.4088 0.6644 0.9195 0.4610 0.5154 1.2095 2.6714 0.5139 0.4722 0.3954 0.3993 0.2837 0.4739 0.3772 0.7157 0.3143 0.3027 0.3811 0.3250 1.3735 1.0479 1.8444 2.3712 8.7923 8.4124 6.0817 5.8465 7.0986 7.3015 6.8627 9.6698 cysteine-glutathione disulfide S-Glutathionyl-cysteine 0.1489 0.3040 0.1217 0.2381 0.1217 0.1217 0.1649 0.1678 0.1217 0.1217 0.1217 0.2172 0.1217 0.1217 1.0498 0.1714 1.5799 0.9440 1.8562 3.0184 0.1217 0.1217 0.3781 2.2352 1.3318 1.1008 0.4783 3.7539 0.2983 1.6667 1.0400 0.6141 1.3308 1 0.4445 0.2960 0.3492 0.2787 0.3713 0.4096 11.0639 11.0807 9.9075 9.7446 1.1134 1.3989 1.2351 1.3810 cysteine sulfinic acid 3-Sulfino-alanine 0.1609 0.2903 1.2369 1.0149 0.1609 0.1609 0.2121 0.9046 1 1.2599 0.9098 0.3557 0.1609 0.1609 0.1609 0.1609 0.1609 0.1609 0.3630 0.2583 0.1609 0.1609 0.1609 0.4423 0.1609 0.1609 0.1759 0.1609 0.1609 0.1609 0.1609 0.2388 0.1609 0.1609 0.1609 0.1609 1.0509 0.5613 0.9255 1.0642 2.2092 1.6825 2.0649 1.6190 1.4186 1.3113 1.9840 2.6266 cystine Cystine 0.0280 0.0280 0.0280 0.0280 0.0280 0.0280 0.0280 0.0280 0.0280 0.0280 0.0280 0.0280 0.0280 0.0280 0.0461 0.2895 0.0861 0.4558 1.0355 1.5640 0.6662 0.9645 1.4793 1.4265 0.0414 0.0280 0.9140 0.5223 0.0280 0.0942 0.0604 0.0280 0.0824 0.0429 0.0280 0.0280 1.3198 1.9721 1.9979 2.0001 1.4848 0.9577 1.7204 1.0693 4.8785 6.1354 5.2236 7.5721 cytidine Cytidine 1.0360 0.3025 1.2479 1.0500 0.9671 0.2613 0.6150 0.8415 1.0909 1.7997 0.9386 0.3518 14.7494 12.1551 1.0329 0.5199 2.4827 2.9058 1.6580 2.2195 0.0616 0.0781 0.1607 0.1278 2.0660 2.2612 1.6611 1.8422 2.3594 1.9973 1.4662 2.3401 3.8900 4.1097 4.4679 4.5073 0.0370 0.0352 0.0452 0.0531 0.2476 0.2607 0.1893 0.1612 0.1065 0.1473 0.1070 0.1774 cytidine 5^-monophospho-N-acetylneuraminic acid CMP-N-acetylneuraminic acid 0.5958 1.1156 1.8352 1.6613 0.5635 0.4479 0.6188 1.3167 1.4678 1.5318 1.4647 0.9216 3.8366 3.3571 0.8011 0.2638 1.4293 0.8133 0.4502 0.5135 0.7027 0.6760 1.2932 1.8029 1.3046 1.3013 0.1237 0.5397 0.4358 1.7350 1.1477 1.3972 0.4666 0.4852 0.6508 0.5329 0.7256 0.6014 0.6333 0.5835 1.6536 1.3083 1.0784 0.9162 2.3635 2.1701 2.5565 4.4039 cytosine Cytosine 0.3596 2.1497 1.1144 1.9044 0.3596 0.4049 0.5274 1.1468 1.1572 1.5074 1.9688 1.5658 1.2546 1.5446 0.3596 0.3596 0.4950 0.4472 0.3596 0.3596 0.7351 1.0706 0.3596 2.0936 0.8336 0.8843 0.3596 1.6401 0.4546 0.3596 0.3596 0.6596 0.9294 1.1162 0.9095 1.1117 0.3596 0.3596 0.3596 0.3596 0.3596 0.7989 0.4848 0.5852 0.3596 0.3596 0.3596 0.3596 deoxycarnitine 3-Dehydroxycarnitine 1.1713 0.3980 1.3441 1.1013 1.1793 0.7129 0.7207 0.8091 1.2241 1.1033 0.9132 0.4078 23.7794 23.6429 0.9940 0.4191 1.0046 0.9207 0.2636 0.5247 0.6981 0.9351 0.4446 0.5534 0.9239 1.1089 0.2960 1.1709 0.2870 0.9954 0.8229 1.3388 0.7602 0.6714 0.9430 0.8823 3.1756 2.7268 2.1943 2.4512 4.4079 4.8874 3.6244 3.4860 5.9153 6.4186 5.4865 7.9110 diacetylspermidine* 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 0.0982 5.6691 4.8926 2.1464 2.2040 1 0.9247 0.8748 0.9428 0.0982 0.0982 0.0982 0.0982 diacylglycerol (12:0/18:1_ 14:0/16:1_ 16:0/14:1) [2]* DG 30:1 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.2910 0.7326 0.8410 0.3385 0.2910 1.1975 1.2201 1.2869 1.1590 0.2910 0.2910 0.2910 0.2910 diacylglycerol (14:0/18:1_ 16:0/16:1) [2]* DG 32:1 0.1706 0.2758 0.1706 0.1706 0.1706 0.1706 0.1706 0.2559 0.1706 0.1706 0.1706 0.1706 0.1706 0.1842 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.1706 0.6027 0.1706 0.1706 0.3716 0.1706 0.1706 0.1706 0.1706 0.1755 2.4640 2.1710 2.3166 1.6839 6.5999 7.3782 4.5178 5.2072 1 1.3998 0.9968 0.7796 diacylglycerol (16:1/18:2 [2]_ 16:0/18:3 [1])* DG 34:3 0.3363 0.4600 0.3363 0.3363 0.3363 0.6759 0.8497 0.3363 0.3363 0.3363 0.6518 0.3373 1.3098 1.0696 0.3363 0.3363 0.3363 0.3363 0.3363 0.3363 0.3363 0.3363 0.3363 0.3363 0.3363 0.7082 0.3363 0.3363 1.0537 0.9463 0.6429 0.7991 0.3363 0.3363 0.3363 0.5123 3.2545 3.3785 1.4450 1.8770 2.3078 2.8757 2.6333 2.7516 0.3363 0.3363 0.3363 0.3363 dihomolinoleate (20:2n6) 11Z,14Z-Eicosadienoic acid 0.4680 0.6446 0.3515 0.3435 0.9870 0.5616 1.5639 1.9793 0.4204 0.5162 0.5052 0.3326 0.9737 1.1439 2.5403 8.4153 1.3617 4.4702 2.4056 3.3972 1.1973 1.3378 1.0130 7.7389 1.7339 2.7776 1.7825 3.1954 0.5702 12.5748 2.0212 15.4292 0.8017 2.3329 1.2471 1.1829 0.6504 0.4932 0.4454 0.6938 0.7391 1.2736 0.9651 0.5677 0.7299 0.8171 0.4387 0.9319 dihomolinolenate (20:3n3 or 3n6) Eicosatrienoic acid 0.5834 0.4810 0.3795 0.3834 1.2301 0.7155 1.3457 1.9624 0.2646 0.4437 0.4111 0.2103 0.8556 0.8572 1.6049 6.0061 0.8479 2.9586 2.4622 3.5769 0.9834 1.0393 0.8551 8.6824 1.0064 1.9506 2.4481 1.9826 0.6454 11.7068 2.1727 14.5953 0.5001 1.7707 1.4110 1.2863 0.2611 0.1916 0.1656 0.2891 0.9772 1.5903 1.1827 0.6291 0.9936 1.0926 0.5315 1.1213 dihydroxyacetone phosphate (DHAP) Dihydroxyacetone phosphate 2.8032 4.4511 10.1822 6.7180 1.6704 0.8755 0.6597 9.1865 12.7421 12.8659 6.6282 3.1982 33.2918 28.8553 2.8667 0.3050 0.9855 0.9251 0.1284 0.4502 1.6606 1.8216 0.5346 5.0667 1.0445 1.1457 0.1586 0.5378 0.6136 0.5744 1.0145 3.6537 2.1628 2.2852 2.3106 2.3698 0.1269 0.0746 0.0763 0.1187 0.1329 0.1306 0.0260 0.0440 0.2811 0.3482 0.2942 0.9193 dimethylarginine (ADMA + SDMA) Dimethylarginine 0.9934 2.1129 0.6670 0.5710 1.3608 0.5805 0.6856 1.3535 1.4723 1.0066 0.7137 1.4921 2.3101 1.7887 3.3546 0.4205 0.7210 1.0129 0.4239 0.7142 1.3423 1.3331 1.2830 2.7351 1.1005 0.8866 1.2047 0.9622 0.4546 1.1607 1.1666 1.8926 0.9652 0.7649 0.9215 0.6968 0.1225 0.0897 0.2461 0.2181 1.0885 0.8067 0.4245 0.3333 2.1500 1.8217 2.1923 1.1477 dimethylglycine Dimethylglycine 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 5.6391 6.8894 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 0.5523 1.0801 0.9443 0.5523 0.8981 0.8489 1.3381 1.0557 0.9312 docosadienoate (22:2n6) 13Z,16Z-Docosadienoic acid 0.6500 0.8235 0.4635 0.5097 1.2358 0.7305 1.8627 2.1359 0.5649 0.6145 0.5633 0.4400 1.2151 1.3694 2.7413 8.1242 1.6611 4.9789 2.2451 3.2068 1.0048 1.1241 0.8655 6.4668 1.5568 2.4840 1.7432 3.4754 0.4308 10.3950 2.3761 13.1690 0.7001 1.9136 0.9394 0.9602 1.2593 0.9676 0.8068 1.2915 0.5903 0.9952 0.7392 0.4598 0.4147 0.4296 0.2166 0.4562 docosahexaenoate (DHA; 22:6n3) DHA 2.5160 0.5072 0.4219 0.3885 5.2789 2.9505 7.6811 2.1866 0.2794 0.3710 0.3432 0.2182 1.4492 1.6268 1.5072 5.6441 1.2124 3.8030 1.9903 3.1637 0.8243 0.9153 0.7556 10.2674 1.7975 3.5240 2.4507 2.6165 0.6695 14.1250 2.3086 20.9710 0.3134 1.3058 0.7835 0.7522 0.7243 0.4568 0.3454 0.6315 0.7147 1.5114 1.0847 0.4570 0.5084 0.5484 0.2722 0.5503 docosapentaenoate (DPA; 22:5n3) DPA 1.4753 0.4812 0.3474 0.3307 3.0937 1.4526 5.0938 1.2860 0.1977 0.2646 0.2628 0.2330 1.3232 1.4486 1.4447 6.1960 1.4136 3.8409 3.2011 4.8365 0.9477 0.9933 1.0067 14.2202 1.9319 3.5295 3.0219 2.2940 0.9303 22.0612 3.2479 32.9074 0.3000 1.0547 0.6991 0.6800 0.6738 0.4559 0.3752 0.6458 0.6237 1.1334 0.8658 0.4480 0.6215 0.6756 0.3595 0.5537 docosapentaenoate (n6 DPA; 22:5n6) Docosapentaenoic acid (22n-6) 1.6792 1.3741 0.8984 0.9482 3.8884 1.8170 5.6420 3.8975 0.5757 0.7649 0.6829 0.5544 1.3294 1.5190 0.7385 2.0501 0.6405 2.8889 1.0518 1.3566 0.4411 0.4041 0.2340 3.3596 0.5542 1.6536 1.4518 1.8851 0.2656 3.9614 0.8947 6.5222 0.4998 1.8753 1.4196 1.2397 0.8178 0.5956 0.4874 0.9399 1.0710 1.7582 1.2583 0.5794 0.6591 0.7490 0.3380 0.7230 docosatrienoate (22:3n3) 13,16,19-Docosatrienoic acid 0.9694 0.9910 1.3703 1.2879 1.6785 1 2.3551 3.0659 0.7377 0.8463 0.7207 0.5523 2.1491 2.2375 0.1753 4.9005 0.8998 4.9990 4.2323 5.5033 0.6253 0.7346 0.9676 9.0165 1.2952 2.0299 5.0956 3.9857 0.4397 14.2911 3.1707 20.6854 0.4242 1.9114 1.5545 1.3733 0.3326 0.2039 0.2591 0.3698 0.6926 0.8884 1.0502 0.5740 0.3736 0.4396 0.1753 0.4993 docosatrienoate (22:3n6)* 10Z,13Z,16Z-Docosatrienoic acid 1.0841 1.2580 0.3891 0.3887 2.1222 1.1999 2.6623 2.1369 0.4872 0.5590 0.5391 0.6555 1.0713 1.2235 3.7193 8.7529 1.9444 6.4002 2.3299 2.8874 0.9763 1.0237 0.7164 5.9391 2.3286 3.6264 1.5241 4.4100 0.5253 9.0181 2.0820 10.0630 0.6347 1.5288 0.7270 0.6865 0.4800 0.3343 0.2681 0.4760 0.3876 0.8134 0.5561 0.3231 0.2088 0.2125 0.1021 0.2505 dodecadienoate (12:2)* Dodecadienoic acid 0.9503 1.0496 0.8872 0.8170 1.0859 0.9504 1.4224 1.2699 1.5845 0.4929 1.0847 0.2900 1.1220 1.3907 0.4108 6.2927 0.5930 0.6829 0.2900 0.2900 0.2900 0.7955 0.2900 0.2900 0.2900 0.2900 0.2900 0.2900 0.2900 0.2900 0.2900 1.4157 1.4405 1.4626 0.2900 0.8161 0.2900 0.2900 0.2900 0.2900 0.2900 0.2900 0.2900 0.2900 0.2900 0.2900 0.2900 0.8056 eicosanoylsphingosine (d20:1)* C20 Sphingosine 2.0135 0.3147 0.8945 0.9368 2.2722 1.2519 2.6197 0.6849 1.1073 0.7889 0.3147 0.3147 4.4211 3.6817 2.1270 0.3864 0.9104 0.9908 0.4116 0.5987 1.2838 1.3963 1.1858 4.6710 0.8193 0.8663 0.3147 0.7914 0.4816 0.8316 0.6852 1.2907 2.0389 2.0128 1.5325 1.4881 0.3147 0.3147 0.3147 0.3147 0.7343 1.0092 0.3147 0.4237 0.8648 1.0510 0.7177 1.0991 eicosapentaenoate (EPA; 20:5n3) EPA 2.8137 0.3650 0.2981 0.3031 5.2957 3.2359 7.6096 1.4309 0.2185 0.3716 0.3159 0.1745 1.0212 1.0048 1.6833 7.1969 0.9819 2.2903 2.2806 3.3009 1.2742 1.2887 1.2308 15.4514 1.9736 3.7159 3.1877 1.7288 0.9952 11.8850 2.1180 20.0004 0.3246 0.9031 0.8126 0.7547 0.4240 0.3107 0.2716 0.4417 0.6121 1.1512 0.8526 0.4040 0.6190 0.7015 0.3571 0.5320 eicosenoate (20:1n9 or 1n11) cis-Gondoic acid 0.4320 0.3640 0.2113 0.2311 0.8850 0.5387 1.4568 1.0646 0.2758 0.2901 0.2969 0.1855 0.8013 0.9101 1.8065 9.9444 1.3160 3.9558 3.8379 5.5680 0.6765 0.7271 0.6148 3.5925 1.2342 1.8649 2.1427 3.4603 0.3131 12.3856 2.2309 12.7735 0.4717 1.3021 0.7343 0.6699 1.1174 0.8473 0.6175 0.9354 1.1575 2.0062 1.2755 0.8114 1.1245 1.1813 0.6222 1.2356 eicosenoylcarnitine (C20:1)* CAR 20:1 1 0.2587 0.2587 0.2587 1.2977 0.7407 1.3247 0.2587 0.2587 0.2587 0.2587 0.2587 7.0620 7.0812 0.4161 0.6842 0.3035 0.4448 1.4425 1.9205 0.2587 0.2587 0.2587 1.8076 0.2587 0.2587 1.1372 0.5319 0.2587 1.7080 1.2121 2.0365 0.2587 0.2587 0.2587 0.2587 1.3163 0.9470 0.5996 0.5262 0.3794 0.3721 0.2587 0.2587 0.2587 0.2587 0.2587 0.2587 ergothioneine Ergothioneine 0.8835 2.3138 5.0484 3.5401 0.7292 0.3907 0.3907 1.5784 2.1048 2.4096 1.4739 1.4613 88.2302 86.2483 3.0203 0.3907 0.3907 0.3907 0.3907 0.3907 0.9607 0.5887 0.5402 0.5311 0.5033 0.3907 0.3907 0.7398 0.3907 0.3907 0.4234 1.3359 0.5877 0.5307 1.0393 0.7558 0.9327 0.6969 0.3996 0.5602 0.3907 0.3907 0.3907 0.3907 2.2495 3.5368 2.4836 3.3771 erucate (22:1n9) cis-Erucic acid 0.6644 0.5034 0.2717 0.2761 1.4130 0.7269 1.6456 1.2778 0.3715 0.3861 0.3852 0.2667 1.0240 1.2121 1.4976 6.1666 1.1367 3.1702 2.0274 3.0367 0.5174 0.5728 0.5021 3.7266 1.0242 1.5179 1.3145 2.1540 0.2557 7.6921 1.5123 9.4911 0.4917 1.3771 0.6547 0.8324 1.2198 0.9079 0.7207 1.3012 0.9634 1.8647 1.4181 0.6689 0.9443 0.9760 0.5342 0.8309 erythritol Erythritol 0.6481 0.3744 0.3744 0.8473 0.6152 0.3744 0.3744 0.3744 0.3744 0.3744 0.3744 0.3744 14.7754 14.3151 2.0522 0.3744 0.4932 0.3744 0.3744 0.3744 2.7412 2.3787 0.5424 1.0115 0.8953 0.9346 0.6527 0.9885 0.3744 0.6346 0.3744 0.8401 2.6547 2.4078 2.5580 2.5710 1.3879 1.2196 0.8046 0.8525 0.3744 0.5674 0.5382 0.3744 3.2594 3.4969 3.8165 4.1361 erythronate* Erythronic acid 1.0580 0.5599 1.6883 1.2653 0.8149 0.6260 1.0053 0.9947 1.7592 1.6343 1.2788 0.3593 32.9122 30.1879 1.1556 0.2239 0.7407 0.6204 0.2855 0.4476 0.4510 0.5854 0.3415 0.8319 0.9134 0.9435 0.3144 0.4718 0.2897 0.7733 0.6647 1.2797 1.1190 1.0941 1.6308 1.5186 1.2210 0.9406 0.8298 0.8819 1.6426 1.7752 1.1390 1.1885 3.4442 3.5909 3.5499 6.0884 ethylmalonate Ethylmalonic acid 0.5405 0.2002 0.9945 0.9259 0.4597 0.4158 0.5199 1.1608 2.0335 2.9887 1.3302 0.2002 3.0578 2.6995 1.8979 0.2002 0.3982 0.2002 0.2002 0.2002 0.4520 0.6545 0.2002 0.2002 0.2002 0.2002 0.2002 0.2002 0.2002 0.2002 0.2002 0.2002 0.4921 0.3860 0.2002 0.4366 1.0236 0.8014 1.0055 0.8437 1.4088 1.1732 0.9454 1.0057 2.9923 3.1173 3.6222 7.1790 FAD FAD 0.8333 0.6718 0.8253 0.9461 0.9973 0.7871 1.2111 0.8557 0.7823 0.8258 0.8003 0.4072 1.3105 1.3489 1.3846 0.7002 0.8149 1.2072 0.6726 1.0315 1.1383 1.4866 0.8616 1.6298 0.8254 1.0027 0.6510 1.2357 0.4240 0.9271 0.5674 1.1234 0.8880 1.0281 0.7943 0.7651 1.0578 1.0969 0.9440 1.1271 1.6096 1.6903 1.0168 1.2532 1.6289 1.9292 1.5184 1.7835 folate Folic acid 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.5749 0.6874 0.5749 0.6314 0.7126 1.8528 1.8491 1.2874 1.5020 0.5749 0.5749 0.5749 0.5749 fructose Fructose 0.4693 0.7028 0.5426 0.8282 0.4492 0.3155 0.3275 0.7741 0.4838 0.6973 0.6445 0.4251 0.5076 0.2140 2.4257 0.4300 0.8715 0.9869 0.7611 0.9731 1.2832 1.3309 1.1603 1.3638 0.8226 0.8251 1.1448 2.1405 0.5135 1.3309 1.0131 1.5270 1.3141 1.2280 1.1171 0.8671 1.1153 0.9730 1.8021 2.2043 4.7353 4.2808 1.9062 2.9726 2.6275 2.6761 2.6788 3.1163 fructosyllysine Fructosyllysine 1 0.7413 0.6650 0.8994 0.9109 0.5234 1.0502 0.5048 0.4040 0.4040 0.4040 0.6080 2.3579 1.9918 2.5168 1.3130 0.7642 1.4553 0.8251 1.5732 0.9102 0.8835 1.4483 3.2754 0.6125 1.0447 1.2181 1.6071 0.4040 1.5987 1.1323 1.7339 1.0913 0.7644 0.6766 0.5516 0.4040 0.4040 0.4040 0.4040 0.6720 1.0790 0.4040 0.4040 0.4040 0.4040 0.4040 0.4040 fumarate Fumaric acid 2.0345 1.2591 5.1119 4.0022 1.4655 1.0046 1.4163 4.0465 4.9928 5.4367 4.0629 1.1177 15.8397 12.6594 2.2731 0.1875 0.8964 0.9548 0.4892 0.5706 0.7065 0.9661 0.6186 1.3363 1.0253 0.9519 0.3937 0.8625 0.5093 1.1099 0.7822 1.2226 0.8974 0.8481 1.0609 0.9215 0.8566 0.5933 0.6966 0.7138 1.0943 0.7752 0.4689 0.6106 1.1018 0.9954 1.1421 1.7416 gamma-glutamylcysteine gamma-Glutamylcysteine 0.3466 1.0829 1.5462 0.7285 0.1978 0.3920 0.5358 0.9171 1.6553 1.3620 0.8007 0.8324 7.6412 9.5139 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.2146 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.2084 1.5180 2.7758 2.1296 1.7350 0.1978 0.1978 0.1978 0.1978 gamma-glutamyl-epsilon-lysine Epsilon-(gamma-Glutamyl)-lysine 0.5655 1.3423 1.0328 1.3216 0.6386 0.5639 0.6823 0.6055 0.5666 0.5341 0.5103 0.9672 3.6227 3.6698 3.5898 1.4107 2.1222 2.7004 0.2198 0.3244 1.5785 1.8597 1.6600 1.9100 1.5932 1.6419 0.1939 1.2362 1.0827 1.5720 1.0490 1.1442 2.9218 3.0630 2.2165 2.1927 0.1970 0.1631 0.1949 0.1875 0.3873 0.4210 0.1488 0.1529 0.1655 0.1594 0.1517 0.1590 gamma-glutamylglutamate gamma-Glutamylglutamic acid 0.1375 1.6965 2.4899 1.7012 0.3231 0.3721 0.3813 1.9673 3.0013 2.9776 1.9909 1.2715 7.3135 8.1280 0.6457 0.1375 0.5701 0.8915 0.1375 0.1375 0.4285 0.4062 0.4925 1.2825 0.3139 0.3725 0.1375 0.4712 0.1375 0.3080 0.1375 0.5544 0.9442 1.0838 1.0655 1.1480 0.9207 0.7656 1 1.3012 2.8178 3.7109 2.7829 2.8027 0.1375 0.1375 0.1375 0.2805 gamma-glutamylglutamine gamma-Glutamylglutamine 0.0521 2.8590 1.3570 0.9500 0.0521 0.0521 0.0521 0.2884 0.4830 0.2928 0.2501 1.7223 5.2370 5.2372 2.4984 0.3612 1.1646 1.9359 0.3823 0.8709 0.1416 0.2192 0.7949 8.6254 1.5872 1.6563 0.6365 2.1515 0.3989 1.0879 0.7484 1.3042 1.0500 1.1079 1.5016 1.4886 0.0521 0.0786 0.0970 0.2003 3.8272 4.4251 2.7963 2.5320 0.1383 0.0903 0.0901 0.1817 gamma-glutamylisoleucine* gamma-Glutamylisoleucine 1.2797 0.5239 0.8562 0.8011 0.9795 0.5239 0.9444 0.5310 0.7507 0.7520 0.5916 0.5239 12.1098 13.6719 1.4253 0.5239 1 2.1087 0.5239 0.5671 0.7763 1.2137 0.5239 0.7810 2.4328 3.0380 0.5239 1.2310 0.5239 0.6260 0.7820 1.5730 1.8377 1.6787 1.6389 1.9435 0.5239 0.5239 0.5239 0.5239 0.5239 0.5239 0.5239 0.6011 0.5239 0.5239 0.5239 3.5093 gamma-glutamylleucine gamma-Glutamylleucine 1.0707 0.9353 0.4389 0.6750 0.8166 0.9041 1.3961 0.6559 1.0124 0.7459 0.5869 0.7376 8.0982 8.4922 1.6935 0.7297 1.7507 2.2458 1.3057 0.8741 0.9156 1.0916 1.0141 1.2582 2.1617 2.8764 0.4540 1.2974 0.8026 0.9876 0.4969 0.8932 2.6259 2.2702 2.7677 2.0627 0.3365 0.3365 0.3365 0.3365 0.3365 0.3365 0.6112 0.4136 0.3365 0.3365 0.3365 1.6661 gamma-glutamylmethionine gamma-Glutamylmethionine 0.3569 1.2367 0.3569 0.3569 0.3569 0.3569 0.3569 0.3569 0.3569 0.3569 0.3569 0.6251 1.3381 1.1831 1.3320 0.3569 0.3569 0.4474 0.3569 0.3569 0.3941 0.3829 1 2.7506 0.3569 0.3569 0.3569 0.3569 0.3569 0.3569 0.3569 0.4929 0.7284 0.4395 0.9524 0.3569 0.3569 0.3569 0.3569 0.3569 1.5092 2.1320 1.8688 1.2499 0.3569 0.3569 0.3569 0.3569 gamma-glutamylserine gamma-Glu-Ser 0.3057 1.3651 1.1317 0.9809 0.2522 0.8015 0.5873 1.5365 0.7006 1.2525 1.2625 0.9296 3.2388 2.2804 2.1840 0.3504 1.3838 1.0267 0.2522 0.2522 2.2945 2.3784 1.9708 3.4199 2.0203 1.8043 0.5318 0.8116 0.6992 0.6321 0.6084 1.0526 1.8252 1.5904 1.4285 1.9148 0.2522 0.2522 0.2522 0.2635 0.6343 1 0.8536 0.5137 0.4685 0.6417 0.5807 0.6150 gamma-glutamylthreonine gamma-Glutamylthreonine 0.7851 0.7340 0.6762 0.5436 0.8726 1 2.1296 0.6260 0.8383 0.6036 0.5556 0.4945 9.6953 16.9936 1.5458 1.2939 2.5988 6.3096 0.9080 1.6440 3.4690 3.8241 0.8462 1.4984 7.6079 7.4150 0.9626 4.6031 1.7843 1.4421 0.9128 1.2208 4.9846 5.8247 4.3567 4.3589 0.3012 0.3300 0.5041 0.5101 0.3012 0.7273 0.4464 0.5302 0.9567 1.1198 0.5883 5.2109 gamma-glutamylvaline gamma-Glutamylvaline 0.8150 0.1915 0.5400 0.1915 0.6998 0.5431 0.5653 0.1915 0.1915 0.1915 0.1915 0.1915 11.1713 10.8762 0.9204 0.4869 1.9716 3.2025 0.1915 1.4177 1.4915 1.6133 0.1915 1 3.8822 4.2999 0.1915 1.8704 0.7130 0.4837 0.7192 1.2345 1.8349 2.7375 2.3876 2.1499 0.1915 0.1915 0.1915 0.3287 0.2174 0.3168 0.1915 0.1915 0.1915 0.5484 0.5259 2.4769 gluconate Gluconic acid 1.6125 1.3056 3.3590 2.0652 0.9769 1.0231 1.2372 1.9934 0.6942 2.4751 1.0705 0.7938 1.8194 1.4140 2.2654 0.1110 2.0045 0.9164 0.9524 0.6833 0.5139 0.4332 1.8529 1.1199 0.5288 0.2645 0.2123 1.2253 0.4608 0.8020 0.5564 0.5633 0.4554 0.1908 0.5408 0.3674 11.1901 5.9980 25.8687 14.6662 101.4615 32.7864 22.2258 41.0637 0.7677 0.6606 0.7282 0.6241 glucosamine-6-phosphate Glucosamine 6-phosphate 0.5150 0.1065 1.0958 1.6787 0.5381 0.4039 0.4039 2.2954 0.2773 2.6381 2.2536 0.0941 10.2507 6.9405 5.2350 0.2485 0.9943 1.0068 0.1508 0.5773 1.1422 1.5440 0.7324 1.9028 0.9483 1.3472 0.2888 0.7507 0.4074 0.7273 0.8454 2.1298 1.0057 1.0577 0.8327 0.8194 0.6086 0.6893 0.8538 1.5183 3.4731 1.0732 0.9614 1.6096 3.8375 4.3535 3.2742 7.4362 glucose Glucose 0.4904 0.5250 0.4899 0.2886 0.3533 0.3064 0.4212 1.0982 1.0920 1.3918 0.6026 0.2772 1.9712 1.0847 1.5151 0.6342 0.7205 1.0090 2.1377 2.8887 0.5593 0.7045 0.8815 2.2376 0.9005 0.8605 2.6836 1.8930 0.3427 2.9796 1.4003 2.5750 0.5553 0.5021 0.3902 0.3115 0.8706 0.7547 1.2846 2.1143 6.0587 5.1121 1.7615 3.4185 1.0627 0.9910 1.0652 1.0640 glucose 6-phosphate Glucose 6-phosphate 0.9132 0.1633 1.7176 1.4163 0.4900 0.5016 0.3969 3.3271 0.5420 3.6619 3.3764 0.2217 9.6074 5.4305 4.4733 0.1569 2.1035 0.7515 0.3690 0.6027 1.8221 0.6103 0.9097 1.0004 0.8422 0.9433 0.2423 0.7469 0.3753 0.9574 0.9857 1.3471 1.7218 1.0576 1.5784 0.7637 0.9996 0.8653 1.4035 1.1173 7.5041 0.4770 1.4906 2.0292 3.7939 2.8992 3.8965 5.9615 glucuronate Glucuronic acid 0.8485 1.5553 2.3063 2.1939 0.8235 0.6114 1.1177 1.7166 1.8591 2.1356 1.7564 1.4138 4.0123 3.3444 2.3468 0.5908 1.0392 0.7424 1.0191 0.7556 0.7365 0.7405 1.4685 1.9809 1.1458 0.9902 0.3518 0.6955 0.5492 1.6787 1.5324 1.3850 0.8044 0.7113 0.7248 0.5796 1.0434 0.7261 0.9933 1.0067 2.4405 5.2564 0.8670 0.6902 0.3194 0.3203 0.3736 0.6046 glutamate Glutamic acid 1.0310 0.9541 2.3451 1.6731 0.8582 0.7066 1.0110 1.3200 1.8431 1.9943 1.4868 0.7516 13.0889 12.4966 1.4408 0.3724 0.8861 1.3125 0.4848 0.7654 0.8211 0.8972 0.9890 1.6158 0.8682 0.8739 0.7353 1.1385 0.5391 0.8714 0.7596 1.2822 1.3988 1.3387 1.7306 1.7025 0.5309 0.4266 0.6665 0.7003 1.1504 1.1551 0.8031 0.7757 0.9879 1.0217 1.0222 1.4697 glutamate_ gamma-methyl ester Glutamic acid, gamma-methyl ester 0.6474 1.5307 1.8004 1.9599 0.5725 0.4739 0.5279 1.3077 1.3158 1.6101 1.6817 1 12.6630 15.4624 2.8567 0.4911 0.7246 1.3766 0.8695 1.9734 0.6483 0.8367 0.5450 2.6455 1.0430 1.2760 0.4443 1.4298 0.3949 1.1663 0.7975 1.7610 1.1681 1.4848 1.5638 1.8954 0.1575 0.2172 0.1575 0.2890 0.8229 0.7848 0.4774 0.5832 0.6345 0.8191 0.5151 1.0854 glutamine Glutamine 0.6164 1.1039 1.8191 1.6566 0.6282 0.4704 0.4388 1.7718 1.7028 1.8507 1.5444 0.8396 13.0412 12.3240 2.8894 0.2760 0.7054 1.3014 0.8193 1.3501 0.6642 0.8114 0.5521 2.7421 1.1169 1.1208 0.2078 1.1028 0.4194 0.4743 0.5556 1.5563 1.0369 0.9631 1.5450 1.3778 0.1823 0.1606 0.3110 0.3391 0.8694 0.5079 0.2111 0.3522 1.2502 1.2011 1.2355 1.0519 glutarate (C5-DC) Glutaric acid 1.7555 1.1271 1.6979 2.2342 1.7014 1.2901 2.4508 1.3576 1.4251 1.6062 1.8355 0.9361 7.5949 7.8247 1.4322 0.3730 0.5824 0.6275 0.6522 0.6718 0.7277 0.8288 0.3503 1.7687 0.7027 0.3503 0.4204 0.7084 0.3503 0.4935 0.3503 0.8768 1 1.0101 0.9419 0.9493 0.7280 0.6805 1.0455 0.5039 1.1310 0.8837 0.5375 0.4583 1.7054 1.8342 2.0258 2.4861 glutathione_ oxidized (GSSG) Oxidized glutathione 2.0229 0.7192 3.0566 3.4843 2.0500 1.9588 2.0717 1.7571 1.8545 2.1960 2.4457 0.7908 9.5680 9.1758 1.0482 0.0423 0.4098 0.0423 0.0423 0.0556 0.0423 0.0423 0.0423 0.0423 0.8090 0.9196 0.0423 0.1723 0.6021 0.3499 0.2590 0.6333 0.2662 0.2452 0.9830 1 0.0423 0.0423 0.0423 0.0423 1.0130 1.4115 0.8128 1.3548 0.0423 0.0423 0.0423 0.0423 glutathione_ reduced (GSH) Glutathione 4.1455 1.5321 12.9229 7.6140 3.5752 4.4865 3.2668 4.7835 9.4175 10.1285 5.7551 1.9390 146.3709 146.4769 0.7687 0.0128 0.1648 0.0128 0.0258 0.0132 0.0128 0.0128 0.0128 0.0423 0.4678 0.6440 0.0128 0.0302 0.6552 0.1866 0.1762 0.9544 0.1388 0.1780 1 1.0511 0.0128 0.0128 0.0128 0.0128 2.1381 3.1805 1.7778 2.7767 0.0533 0.0685 0.0519 0.0608 glycerate Glyceric acid 6.4571 2.7024 6.8496 7.0454 3.9162 3.4730 6.3102 7.5934 7.4001 9.1379 6.3091 1.8023 0.3383 0.3013 1.0149 0.1349 0.2276 0.3398 0.3046 0.9851 0.8646 0.9702 0.2801 3.9775 0.2996 0.3507 0.0919 0.2674 0.1750 0.2223 0.2584 0.6309 0.8873 0.9119 1.0571 0.9765 16.8980 12.5737 20.1014 27.0497 108.2353 125.1722 29.7314 35.9122 0.8155 0.6968 0.7775 1.8332 glycerol Glycerol 1.0773 0.6357 0.6770 0.6078 0.8852 0.7875 1.0320 0.9962 0.8080 1.1907 0.9624 0.3821 2.3632 1.9236 2.2274 0.8139 1.2693 1.3956 1.0114 1.2025 0.8371 1.0597 0.8904 1.7222 0.9432 0.9226 0.4282 1.1156 0.3789 1.3995 1.0038 1.6054 0.6923 0.7704 0.8993 0.5844 0.7810 0.8751 0.8025 0.8530 2.0462 1.5904 1.1576 1.0846 1.2562 1.7404 1.7434 1.1059 glycerol 3-phosphate sn-Glycero-3-phosphate 4.2004 0.8562 3.7953 2.2803 2.1353 4.2617 2.6009 3.0221 6.7892 4.9397 3.4382 1 5.6224 5.5337 0.5877 0.2592 0.2385 0.3554 0.0989 0.0989 0.6260 0.5444 0.3812 0.5392 0.2380 0.2725 0.2780 0.3911 0.3382 0.3911 0.4679 1.1805 1.3616 1.4323 1.5851 1.7816 0.5611 0.4337 0.4378 0.4324 1.0944 1.1787 0.9821 0.8207 1.4350 1.2023 1.4312 2.9415 glycerophosphoethanolamine sn-Glycero-3-phosphoethanolamine 0.7401 0.6798 0.8404 0.7057 0.8891 0.4593 0.7891 0.6093 0.8071 0.6279 0.5529 0.5378 4.6878 4.8225 2.4748 0.8114 1.2942 1.3291 0.6714 0.8430 1.2402 1.4395 1.2194 1.9680 1.8395 1.6477 1.3746 1.6075 0.7564 0.9970 0.8456 1.0030 1.6992 1.5238 1.8255 1.5259 1.1409 0.9066 0.7390 0.7025 1.0491 0.9801 0.6139 0.6633 8.8405 9.0235 8.9414 8.3875 glycerophosphoglycerol sn-Glycero-3-phosphoglycerol 2.7063 0.4644 1.1464 0.9822 2.2261 2.6421 2.6664 1.1652 1.3054 1.4726 1.1895 0.3759 6.5029 5.4671 2.3223 0.6862 0.9739 0.6426 0.7132 0.6561 0.9072 0.9249 1.1019 1.0178 1.6046 1.3902 0.7222 1.1525 0.6692 0.8339 0.6960 0.8949 0.9355 0.9086 1.0800 0.8354 0.7806 0.5997 0.5682 0.3971 1.3778 1.2332 0.9212 0.9083 5.0672 4.8641 5.1022 5.8968 glycerophosphoinositol* sn-Glycero-3-phosphoinositol 2.1852 0.7585 0.9847 0.6308 1.9571 1.1656 1.5128 0.8413 0.8657 1.0153 0.7082 0.5882 1.9220 1.7812 1.5106 0.4077 0.7338 0.7259 0.5375 0.5737 1.4266 1.4272 1.5203 1.5173 1.0950 0.8911 1.1801 0.9817 0.5851 0.6764 0.5971 0.5943 1.0377 0.9243 0.9610 0.6948 1.1119 0.8852 1.2966 0.8914 1.6609 1.3461 1.1961 0.8563 3.0662 2.4978 3.1525 2.7287 glycerophosphorylcholine (GPC) sn-Glycero-3-phosphocholine 0.5852 0.7228 0.7684 0.6917 0.7548 0.3658 0.6538 0.4987 0.5315 0.5573 0.5051 0.5435 1.1593 1.2983 1.5204 1.0996 1.1493 1.3117 0.7632 0.9363 1.0450 1.1162 1.1461 1.5568 1.4518 1.3981 1.4748 1.4218 0.8197 0.9550 0.7814 0.8520 1.2865 1.2122 1.3507 1.2051 0.7402 0.6975 0.5973 0.5833 1.0773 1.1297 0.8667 0.8959 1.9567 2.0387 1.9579 1.7921 glycerophosphoserine* sn-Glycero-3-phosphoserine 1.1068 1.1383 1.5062 1.0547 1.1866 0.6399 1.3090 1.1543 1.3706 1.2413 1.0487 0.7436 1.9499 1.7560 1.7041 0.5403 0.5615 0.7697 0.4080 0.5335 1.0572 1.2158 1.5041 2.7516 0.7961 1.0682 1.1534 1.2968 0.6449 0.9513 0.6711 0.8940 0.9063 0.8766 0.8205 0.6628 0.6300 0.6289 0.6648 0.6557 0.7794 0.5610 0.4604 0.4566 2.6151 2.6199 2.3151 2.5715 glycine Glycine 0.7620 1.1275 1.0654 0.9426 0.8198 0.5641 0.6838 1.0936 1.0431 1.0960 0.9119 0.8183 5.4542 5.1652 2.6945 0.5442 0.7984 1.2658 0.4672 0.7927 1.0604 1.1354 0.9073 1.7933 0.9825 0.8872 0.8463 1.0055 0.4160 1.1395 1.0476 1.6402 1.1440 0.9945 1.0592 0.8966 0.6800 0.5746 0.7452 0.7897 1.4121 1.3426 0.9367 0.8962 2.0001 1.9907 2.0085 1.9837 glycochenodeoxycholate Glycochenodeoxycholic acid 0.6935 0.7982 0.4223 0.5292 0.9943 0.9636 1.1658 0.6269 0.4795 0.3700 0.4449 0.2595 0.2595 0.2595 2.5883 1.3713 1.5750 2.4604 1.8016 2.6648 2.3367 2.8090 0.4385 1.9687 0.3707 0.5321 2.9207 0.5294 0.2595 2.1790 1 2.2547 3.6171 3.9467 2.2882 2.1933 0.7350 0.6918 0.8518 0.5972 1.6866 2.1661 1.5448 1.3795 0.9267 0.9934 0.6397 1.3306 glycosyl ceramide (d16:1/24:1_ d18:1/22:1)* HexCer 40:2;O2 4.3042 0.5261 0.1894 0.2608 8.2286 5.7547 11.4098 0.6471 0.7259 0.6663 0.5817 0.3227 1.0529 0.9745 1.1973 0.8821 0.9260 0.5156 1.0889 1.2631 0.6533 0.8925 1 2.3720 0.7052 1.1457 0.3252 0.6263 0.4178 1.9407 0.2524 1.4601 0.2353 0.3031 0.1945 0.1845 1.4059 1.0035 1.1274 0.1845 1.7063 1.6570 1.0886 1.1120 2.9981 3.0085 3.0154 2.1648 glycosyl ceramide (d18:1/20:0_ d16:1/22:0)* HexCer 38:1;O2 8.5040 0.3767 0.2362 0.2985 8.9058 6.6081 12.3469 0.6269 0.6183 0.5957 0.6012 0.2498 1.1876 1.0838 1.3235 0.5679 0.9162 0.7868 1.2580 1.3860 1.2163 1.3482 0.7447 1.4533 0.8299 0.8270 0.7449 0.7936 0.4285 0.8924 0.5358 0.9092 0.8285 0.7665 0.7541 0.7021 3.8991 3.4305 3.6817 3.5996 4.5682 4.9764 4.1845 3.8905 5.4644 6 5.3106 5.3335 glycosyl ceramide (d18:1/23:1_ d17:1/24:1)* HexCer 41:2;O2 3.3369 0.7367 0.3142 0.4136 3.6386 2.6291 4.0868 0.9758 0.9519 0.8819 0.8484 0.4732 1.4665 1.3407 1.2664 0.6372 1.0021 0.6513 0.7486 0.7961 1.0844 1.4568 1.3385 3.5204 0.8245 0.8066 0.4940 0.5944 0.5816 1.6499 0.9979 1.9015 0.3883 0.4883 0.3402 0.3098 1.4544 0.8517 1.2351 0.8632 1.4098 1.5459 1.2197 1.0295 1.9097 1.9671 1.7997 1.4950 glycosyl ceramide (d18:2/24:1_ d18:1/24:2)* HexCer 42:3;O2 2.1834 0.7356 0.3890 0.4647 2.5571 1.8021 2.9611 0.9021 0.9489 0.8656 0.7654 0.4718 1.1036 1.0117 1.2430 0.5798 0.8259 0.4668 0.6633 0.7506 1.1758 1.4088 1.3691 3.5602 0.6655 0.6121 0.4196 0.3316 0.5502 1.5339 0.9595 1.7001 0.2981 0.3284 0.2811 0.2221 2.1439 1.7718 1.7290 1.5638 1.4612 1.5983 1.2693 1.2239 1.3265 1.4025 1.3463 0.9883 glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1/24:1(2OH))* HexCer 18:1;O2/24:1;O 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.1133 0.5948 1 1.0307 1.1131 1.0890 0.1243 0.1133 0.1133 0.1133 0.1133 0.1133 glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)* HexCer 18:2;O2/22:0 3.6963 0.4923 0.2913 0.4501 0.2028 0.2028 0.2028 1.0798 1.0030 0.9803 0.9013 0.3049 1.0578 0.9781 0.9970 0.2028 0.5396 0.2028 0.2028 0.2028 1.6538 1.7669 0.8770 2.5018 0.3954 0.2028 0.4796 0.2028 0.3674 0.2028 0.2028 0.9576 0.5032 0.4298 0.5146 0.4262 3.4265 3.2729 3.5217 4.8643 2.6176 3.1659 2.4603 2.5086 1.6846 1.9920 1.6286 2.1551 glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) HexCer 18:1;O2/16:0 2.4466 0.9536 0.6009 0.6883 2.3329 2.4285 2.9436 1.3541 1.3797 1.2643 1.1806 0.7635 0.8768 0.8273 0.7008 0.4011 0.6670 0.4191 0.5111 0.5647 1.0696 1.0860 0.8192 1.2971 0.5307 0.5256 0.2613 0.3471 0.5296 0.9428 0.6953 1.0464 0.3674 0.3809 0.3973 0.3510 1.6481 1.6299 1.8911 2.0489 2.3107 2.4492 2.2048 2.2323 4.3778 4.4260 4.1993 3.7501 glycosyl-N-stearoyl-sphinganine (d18:0/18:0)* HexCer 18:0;O2/18:0 11.4386 0.4490 0.3006 0.8731 12.8884 7.3736 17.2054 0.3006 0.3006 0.4115 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 1.1269 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 0.3006 1.9965 1.2160 0.3006 0.7454 0.3006 0.3006 0.4372 0.3006 0.3006 0.3977 glycosyl-N-stearoyl-sphingosine (d18:1/18:0) HexCer 18:1;O2/18:0 7.0801 0.9920 0.5563 0.6973 8.4846 6.6329 11.1365 1.1777 1.1293 1.0522 1.0080 0.6078 0.8088 0.7665 0.4757 0.2662 0.5102 0.4034 0.7637 0.8921 0.9771 1.1046 0.7828 1.6259 0.4855 0.5241 0.4833 0.4788 0.3361 1.2062 0.8271 1.5236 0.4024 0.4103 0.3844 0.3753 4.7170 4.1267 5.2155 5.1129 6.4931 7.0739 6.1536 5.7813 3.9330 3.9746 3.6911 3.4001 glycylisoleucine Gly-Ile 0.1017 1 0.1017 0.2664 0.4115 0.1335 0.2090 0.1017 0.1017 0.1017 0.1017 0.5911 0.1376 0.1876 2.7644 0.6769 1.5606 2.0939 1.6374 1.5458 2.0735 2.3746 1.8043 0.9550 2.2649 1.8523 1.5855 1.4770 0.7055 1.0552 0.6765 0.6197 2.7651 2.2139 2.4177 1.9532 0.1017 0.1017 0.1076 0.1017 0.1017 0.1017 0.1968 0.3025 0.1017 0.1576 0.1017 0.1017 glycylleucine Gly-Leu 0.2468 1.3826 0.1784 0.4841 0.7127 0.4234 0.6856 0.2177 0.1769 0.1273 0.2087 0.7385 0.6566 1.2266 7.4722 5.1009 7.6709 10.5436 3.8616 3.6040 6.8067 7.4192 5.9046 1.8712 9.8780 9.5903 6.3179 7.0703 3.5653 5.7640 4.0543 2.5803 9.7136 8.9406 8.5176 6.9616 0.0971 0.0995 0.2952 0.2541 0.2836 0.3946 0.5757 0.4743 0.5719 0.7734 0.5457 0.5341 glycylvaline Gly-Val 0.4844 2.7441 0.5332 1.1343 1.1077 0.5651 0.8089 0.4955 0.5264 0.3364 0.4813 1.9002 0.7299 0.9860 3.8691 0.8084 1.5477 2.1581 1.2893 1.3051 2.6532 2.9091 1.7844 1.9813 2.2691 1.9943 1.8786 1.1615 0.7956 1.1809 1.0140 1.4613 2.3199 2.1842 2.3872 1.9159 0.0868 0.0545 0.1451 0.1306 0.1649 0.1880 0.1830 0.2118 0.3700 0.3715 0.2960 0.3107 guanidinoacetate Guanidoacetic acid 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.4065 0.8594 0.4065 0.4065 0.4065 0.4065 1.0996 0.4065 0.6457 0.4065 0.4065 0.4065 0.4259 0.4065 0.4065 0.4065 0.7754 0.4065 0.4065 0.4065 0.6331 0.4065 1 0.6408 0.7316 2.2833 1.6276 1.6931 2.2827 0.4065 0.4065 0.6341 0.4065 5.7987 5.9804 4.7244 5.1531 guanine Guanine 2.6332 1.9256 2.4571 2.2045 2.7359 2.0707 2.9202 2.4201 3.8728 3.1098 2.0040 1.5593 3.9723 2.5694 1.8315 0.2353 0.7028 0.9909 0.3601 0.7832 1.0489 1.3007 0.7884 1.8078 0.9850 1.0091 0.2952 0.7795 0.6032 0.6823 0.5982 1.3981 1.3554 1.4074 1.4057 1.5650 0.0028 0.0028 0.0040 0.0036 0.0055 0.0054 0.0035 0.0050 0.0719 0.0714 0.0615 0.0781 guanosine Guanosine 2.5246 1.2342 5.2718 4.0347 2.7703 1.4549 2.3840 3.3086 4.6677 5.5437 3.7842 0.9244 14.3528 10.5903 1.0059 0.4619 1.0803 0.9575 1.9270 2.1612 0.8414 0.9467 1.2358 1.7923 0.8370 1.1246 0.5127 1.2667 0.4861 0.9941 0.6779 1.3032 0.6153 0.7429 0.7497 0.8472 0.0858 0.0554 0.2215 0.1759 0.3827 0.3135 0.1075 0.1296 0.9420 1.1353 0.7451 1.1794 guanosine 3^-monophosphate (3^-GMP) Guanosine 3'-monophosphate 0.2840 0.6306 1.3619 2.0936 0.2107 0.3210 0.2107 0.7688 0.2107 0.3418 0.6043 0.8487 0.2107 0.2107 0.2107 1.6786 0.2107 0.2107 4.2793 4.4627 0.5435 0.3955 0.4800 1.0460 0.2898 0.3047 0.2107 0.2107 0.3621 0.2107 0.2573 0.2107 1.1495 1.1880 1.0888 1.1742 4.3046 2.0557 0.6210 1.0766 7.3733 0.4469 0.2616 2.2011 1.7147 1.6564 1.3638 1 guanosine 5^- diphosphate (GDP) GDP 1.0828 0.4578 1.2661 1.1639 1.1965 1.1246 0.7262 1.4889 0.9760 1.1793 1.5776 0.9081 0.2513 1.2725 0.2513 0.2513 0.2513 0.2513 0.2513 0.2513 0.2513 0.2513 0.2513 0.2513 0.2513 0.2513 0.2513 0.2513 0.3075 0.2513 0.2513 0.2513 0.2513 1.0240 0.5738 0.6986 0.7766 0.2513 0.2513 0.2513 0.2513 0.2513 0.2513 0.2513 0.3395 0.2513 0.2513 0.2513 guanosine 5^-diphospho-fucose 0.7826 0.6179 1.4228 1.6270 0.9231 1 0.8173 1.0368 1.1406 0.9735 0.9822 0.6177 2.5156 2.4159 0.1976 0.1976 0.1976 0.1976 0.1976 0.1976 0.1976 0.1976 0.1976 1.1297 0.6586 1.0711 0.1976 0.1976 0.8020 0.1976 0.1977 1.3677 0.1976 0.1976 0.1976 0.1976 0.4393 0.1976 0.1976 0.5370 1.2168 1.3060 0.4390 0.7778 1.1337 1.2596 1.2603 1.6281 gulonate* Gulonic acid 0.7548 2.6043 8.4524 5.3307 0.5708 0.4973 0.6930 2.7765 5.1543 5.2440 3.2349 2.2242 14.7909 13.7129 0.6199 0.0864 0.5454 0.1273 0.0135 0.0135 1.1157 0.9461 0.2571 0.3666 0.3239 0.2737 0.0135 0.1501 0.0773 0.4058 0.4389 0.8513 1.0893 0.8500 0.8573 0.6210 2.1536 1.4168 1.0539 0.9407 5.5448 4.5490 3.1210 3.4235 3.3436 3.5615 3.7996 8.2698 heme Heme 0.3264 0.3264 0.3264 0.3264 0.3264 0.5549 0.3264 1.0046 0.8785 1.2355 0.4866 1.0015 0.3264 0.3264 1.0253 0.3264 0.3264 0.3264 0.3264 0.3264 1.6862 0.4109 1.0085 0.3264 0.3264 0.3264 0.3264 0.3264 0.3264 0.3264 0.3264 0.4399 0.3264 0.3264 0.7698 0.3264 2.0413 0.6823 1.6137 0.5723 1.8339 1.0131 2.1771 0.9985 1.1287 0.5013 0.9134 0.3264 heneicosapentaenoate (21:5n3) 6Z,9Z,12Z,15Z,18Z-Heneicosapentaenoic acid 1.7597 0.3965 0.3284 0.2607 3.2801 2.4755 3.6336 2.2784 0.2230 0.4178 0.2611 0.1928 2.1255 2.2174 2.3637 7.8581 1.7427 6.0441 2.0913 3.0082 1.0183 1.0374 0.7236 9.8332 3.5995 6.5775 1.7379 3.8297 0.4876 18.1905 2.7981 25.3941 0.3952 1.6309 0.9817 0.8981 0.3516 0.2283 0.1720 0.2927 0.3041 0.7119 0.4154 0.2098 0.3960 0.3717 0.1390 0.3454 HEPES 0.9865 0.0010 0.0002 0.0002 0.9696 0.7291 1.0275 0.0002 0.0020 0.0002 0.0002 0.0002 2.5804 2.3062 2.8730 0.8716 1.2829 1.2812 0.7702 0.9355 0.9670 1.1230 0.9374 1.9454 1.0135 1.1561 0.8923 1.5178 0.6680 1.0194 0.8599 1.3205 1.2357 1.2362 1.0489 0.9563 0.0002 0.0002 0.0002 0.0002 0.0005 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 heptadecasphingosine (d17:1) C17 Sphingosine 0.4266 0.6346 0.6338 0.7936 0.4712 0.3944 0.8194 0.9702 0.6286 1.0298 0.9243 0.4557 4.8172 4.2041 4.0839 1.0592 1.6221 1.4111 0.9253 1.0398 1.6370 1.9335 1.9908 6.2238 1.7386 1.8505 1.0374 1.4936 1.2492 1.8840 1.3193 2.4525 1.4912 1.6489 1.3085 1.2202 0.0820 0.0983 0.1084 0.1337 0.3517 0.3838 0.1692 0.2177 0.4692 0.5830 0.4782 0.6128 hexadecasphingosine (d16:1)* C16 Sphingosine 0.4397 0.7774 0.9302 0.8767 0.4481 0.3834 0.5930 0.9062 0.8025 1.1774 1.0349 0.6048 4.7023 5.0694 4.7681 1.3955 1.5221 1.6280 1.0403 0.9651 2.0388 1.9851 2.2563 7.0291 1.8850 1.6247 0.9091 1.6561 1.2668 2.3428 1.3008 2.5414 1.7385 1.8720 1.5486 1.1784 0.1754 0.1831 0.2184 0.2075 0.5841 0.5127 0.2834 0.2921 0.5562 0.5874 0.5815 0.6555 hexanoylcarnitine (C6) CAR 6:0 0.6340 0.2171 0.2171 0.2171 0.4811 0.2171 0.4680 0.2171 0.2171 0.2171 0.2171 0.2171 31.6700 42.6762 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 0.2171 1.0986 0.2171 0.3916 0.2171 0.2171 1.4383 1.0061 0.2171 0.9939 0.2171 1.3654 0.2171 1.3673 0.2171 0.2171 0.2171 0.7819 hippurate Hippuric acid 1.2779 0.8063 1.0589 1.2461 1.2838 1.4438 1.5326 0.8555 1.1469 0.9225 1.1062 0.4320 5.1218 4.8227 1.5007 0.5919 1.5621 0.9881 0.9093 1.4947 1.4121 1.7353 0.2401 0.8002 0.6339 0.7500 0.7960 0.4050 0.2388 1.2170 0.8346 1.3774 1.4748 1.5408 1.5766 1.5532 0.5470 0.5435 0.5928 0.5569 1.0155 1.0041 0.9430 0.9959 0.7817 0.8408 0.7340 1.1564 histidine Histidine 1.1542 1.3929 1.4326 1.2063 1.1789 0.8644 0.9967 1.5320 1.5554 1.4429 1.2689 1.0328 2.5999 2.2354 2.6506 0.5380 0.7416 1.1131 0.6647 0.9161 1.0033 0.9900 0.7655 2.1566 0.7803 0.6672 0.7313 0.9628 0.4657 0.8293 0.9203 1.5466 1.0659 0.9105 1.0976 0.8406 0.3613 0.2852 0.5193 0.4751 1.2036 0.8963 0.6532 0.7022 1.4746 1.4439 1.6298 1.0762 histidylalanine His-Ala 0.1228 1.5246 0.1228 0.1349 0.3502 0.1228 0.1715 0.1228 0.1228 0.1228 0.1228 0.6438 0.1228 0.1883 2.0985 0.4795 1.4884 1.4854 1.8164 1.4609 2.1539 2.2057 2.9751 1.0702 2.1609 1.8725 0.7903 1 0.7391 1.1602 0.6875 0.6782 1.4316 1.4344 1.4038 1.1683 0.1228 0.1228 0.1228 0.1228 0.3107 0.1972 0.3072 0.4089 0.7543 1.0699 0.8022 0.2386 homocysteine Homocysteine 1.1861 0.4381 0.4622 0.2220 0.9893 0.7192 1.4267 0.9535 1.6848 1.5976 0.2319 0.2821 1.0498 0.4616 1.4926 0.2220 0.2220 0.2220 0.2220 0.2220 0.2220 0.2220 0.2220 0.5316 0.2220 0.2220 0.2220 0.2220 0.2220 0.2220 0.2220 0.2522 0.2220 0.2220 0.2220 0.2220 0.2220 0.2220 0.2220 0.4449 6.6320 5.1761 2.0263 1.9610 1.1387 0.8964 1.0107 1.6728 homostachydrine* (S)-Homostachydrine 0.5394 0.3904 1.0411 0.8614 0.6391 0.3942 0.4077 0.6445 1.0377 0.7862 0.6831 0.4500 10.8254 9.6230 0.0822 0.0822 0.2093 0.7869 0.0822 0.0822 0.0822 0.0822 0.0822 0.0822 0.2240 0.0822 0.2549 0.7774 0.0822 0.0822 0.0822 0.0822 0.9380 0.9623 1.0435 1.0392 1.6690 1.4360 1.2902 1.4957 2.6672 2.9776 2.1031 2.0888 2.5550 2.6480 2.3261 3.1282 hydroxy-N6_N6_N6-trimethyllysine* 0.5684 0.6980 0.7027 1.0161 0.6032 0.2701 0.2975 0.4448 0.4274 0.5871 0.4120 0.5359 3.0888 3.1058 1.4070 0.2787 1.4993 1 1.2505 1.4807 0.5130 0.6064 1.8548 1.1155 1.9523 2.1714 0.5063 1.8315 0.6236 1.9082 0.8548 1.4389 0.3059 0.2701 0.2701 0.2701 0.3503 0.3871 0.8285 0.9906 1.8702 1.7718 1.4028 1.4434 7.1890 7.2797 6.4707 6.2915 hydroxyproline Hydroxyproline 4.1784 0.7500 1.9252 1.5003 4.3771 2.3641 3.3345 0.8996 1.5999 1.1626 1.0134 0.5345 9.9364 11.6593 0.9832 0.3147 1.0106 0.9456 0.2796 0.5421 0.7373 0.9579 0.4587 1.4985 0.8056 0.8676 0.2793 0.8576 0.3399 0.6849 0.5741 1.3737 1.5056 1.6116 1.8240 2.0175 1.0425 0.9106 0.9894 1.0878 0.5882 0.7103 0.6417 0.7017 1.9128 2.1498 1.6384 2.8123 hypotaurine Hypotaurine 1 0.2782 2.1560 1.0411 0.8657 0.7337 0.6705 1.1110 2.8778 2.4601 1.8004 0.1896 38.5845 38.3097 0.7909 0.0765 0.0765 0.0765 0.0765 0.1169 0.1663 0.2145 0.0765 0.0765 0.1282 0.0890 0.0765 0.1226 0.0765 0.1365 0.1343 0.4312 0.1271 0.1365 0.3887 0.2634 6.3349 4.2715 3.2758 3.6826 2.8594 2.5654 2.0623 2.9314 10.6307 12.4254 11.5200 17.7603 hypoxanthine Hypoxanthine 2.5698 1.3970 2.0919 1.7065 2.0964 1.6848 2.4188 2.0799 3.0684 2.5100 1.7500 1.0399 7.4978 5.1608 2.1155 0.1526 0.6509 0.8591 0.2009 0.5047 0.6420 0.8195 0.4718 1.4167 0.6243 0.6265 0.2655 0.6158 0.3310 0.4281 0.4620 1.1172 0.9601 0.9102 1.0686 0.8938 0.3302 0.2847 0.6318 0.5702 1.9228 2.1691 0.6976 0.7238 1.2759 1.3114 1.3285 1.4889 imidazole lactate Imidazolelactic acid 0.1920 0.1920 0.1920 0.1920 0.1920 0.1920 0.1920 0.1920 0.1920 0.1920 0.1920 0.1920 0.7784 0.9647 0.1920 0.1920 0.1920 0.1920 0.1920 0.1920 0.1920 0.1920 0.1920 0.1920 0.1920 0.1920 0.1920 0.1920 0.1920 0.1920 0.1920 0.1920 0.1920 0.1920 0.1920 0.1920 1.5341 1.4797 0.5678 0.9872 0.6850 0.9210 1.1276 1.2293 1.4708 1.7401 1 1.3420 imidazole propionate Imidazole propanoate 1.3269 0.4211 1.2241 0.8353 1.2824 0.9795 1.0205 0.7082 1.3451 1.1743 0.8230 0.3438 4.4845 4.9939 0.2456 0.2456 0.3371 0.5722 0.2456 0.2456 0.2456 0.3317 0.2456 0.2456 0.2456 0.2456 0.2456 0.3814 0.2456 0.3255 0.2456 0.2456 0.8121 0.6484 0.7102 0.7564 1.4334 1.2522 0.9746 0.9486 1.0327 1.3755 1.0771 1.1886 5.2364 5.9599 4.6280 7.7169 indolelactate Indolelactic acid 0.1240 0.1240 0.1240 0.1240 0.1240 0.1240 0.1240 0.1240 0.1240 0.1240 0.1240 0.1240 2.9190 3.1048 0.1240 0.1240 0.1240 0.1240 0.1240 0.1240 0.1240 0.1240 0.1240 0.1270 0.1240 0.1240 0.1240 0.6834 0.1240 0.1240 0.1240 0.1240 0.5630 0.7501 0.7167 0.5809 0.1240 0.1240 0.1240 0.1240 1.1428 1.1665 0.8572 0.1240 1.4731 1.6242 1.7937 4.4598 inosine Inosine 1.8655 0.6816 3.3977 3.0603 2.1829 1.1353 1.5136 1.6389 2.2942 2.8456 2.6009 0.5961 14.4655 13.1374 0.8008 0.6363 1.6848 1.1264 1.9584 1.5199 0.6321 0.8122 1.0085 0.9464 0.9915 1.2502 1.1649 1.2113 0.9656 0.9600 0.6581 1.0342 0.7369 0.7854 0.5921 0.8261 0.4192 0.3132 0.7341 0.8116 0.7138 0.6654 0.7075 0.7107 1.2485 1.2595 0.8382 1.6354 inositol 1-phosphate (I1P) Inositol 3-phosphate 1.5682 0.6462 2.5381 1.7038 0.8890 1.4499 0.8014 1.4692 1.3999 1.5207 2.1630 0.4435 4.0657 2.9987 1.9148 0.3227 1 0.6221 0.9345 0.9147 0.8577 0.4815 1.0530 0.9865 0.6083 0.7894 0.5364 0.8899 0.4743 1.0955 0.8876 0.6441 0.6871 0.3227 0.7926 0.4336 0.8405 0.5019 1.8542 1.1358 4.4238 1.1696 3.3849 2.3392 2.7823 3.0358 2.6134 2.7349 Isobar: hexose diphosphates Fructose 1,6-bisphosphate 2.5559 3.4076 12.2925 10.7414 2.3904 1.6500 1.5864 10.3701 12.1803 15.3021 9.1861 2.1580 25.7515 21.8886 1.3948 0.3130 0.5397 0.4172 0.0742 0.0839 0.7934 0.9274 1.2391 2.8996 0.9783 1.0217 0.0522 0.4398 0.8744 0.3738 0.4697 1.6092 0.8034 1.0865 0.9743 0.9438 0.3308 0.3353 0.3927 0.4685 0.2607 0.2173 0.4415 0.6074 2.7827 2.8401 2.6848 1.8510 isobutyrylcarnitine (C4) CAR 3:0;2Me 1.2749 0.3770 0.6388 0.4053 0.9759 0.6433 0.8983 0.3082 0.4325 0.6228 0.4256 0.3082 6.1429 6.8006 1.8944 0.6621 1.1075 1.0241 0.7995 0.9517 0.6469 0.4103 0.8920 0.3082 1.5039 1.4642 0.8162 1.5405 0.6869 2.5158 1.8774 3.5559 0.9374 0.8483 0.8316 0.9718 1.7884 1.3580 0.9530 1.3024 2.1355 2.2228 1.5997 1.7584 5.5790 6.3972 5.5624 6.7516 isoleucine Isoleucine 0.7044 1.0927 1.1587 1.1243 0.8143 0.5499 0.6862 1.1368 1.0498 1.1646 1.0704 0.7451 2.1782 2.0638 2.0110 0.4983 0.8201 1.2436 0.6266 1.0639 1.0480 1.1453 0.8690 1.5757 0.9412 0.8753 0.8169 0.9800 0.4698 1.0210 0.8864 1.2663 1.2118 1.0654 1.1088 1.0200 0.3142 0.2838 0.4584 0.4703 0.7988 0.7196 0.4489 0.4913 1.1737 1.1677 1.1658 0.9225 isoleucylglycine Ile-Gly 0.3296 1.6422 1.3170 2.3061 0.5142 0.5181 0.4614 1.1321 0.8352 0.9033 1.6515 1.1093 0.6108 1.0967 1.8674 0.7628 1.1838 1.6684 2.5992 4.0837 2.2458 1.9959 1.7600 1.5110 1.7890 1.4007 1.4127 1.4068 0.7517 1.1605 0.8845 0.6465 1.3278 1.2410 1.2235 0.7612 0.0553 0.0714 0.1486 0.1109 0.1804 0.0984 0.1843 0.3632 0.2251 0.3566 0.2166 0.1377 isovalerylcarnitine (C5) CAR 4:0;3Me 0.8472 1.2575 0.9100 0.7669 0.7258 0.6143 0.9238 0.7222 1.0538 1.0401 0.6547 0.5561 9.7078 14.6686 2.1370 0.9131 1.2096 1.9529 0.8478 0.9011 0.6563 0.6071 1.1137 1.0962 1.6379 1.3079 1.0272 1.7576 0.6626 1.6034 1.0640 1.4131 0.8336 0.8587 0.6802 1.0878 0.9728 0.8990 0.6879 0.2729 1.5997 1.3082 0.8338 0.8825 3.6175 4.2002 3.4926 5.5016 isovalerylglycine Isovalerylglycine 0.8366 0.9367 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 1.4520 0.8807 0.8366 0.8366 0.8366 0.8366 0.8366 1.0515 0.8366 0.9214 0.8366 0.9209 0.9864 1.9662 0.8366 0.8366 1.1182 0.8366 1.0434 0.8366 0.8366 0.8366 0.8366 0.8366 1.0136 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 0.8366 kynurenine Kynurenine 0.4653 0.2622 0.4079 0.3556 0.4704 0.3035 0.4977 0.3600 0.4773 0.4151 0.3045 0.1675 40.3763 43.5667 1.6677 0.3829 0.6311 0.7359 0.1721 0.2757 1.2744 1.5412 0.3486 0.6648 1.2327 1.3683 0.4061 2.0484 0.6246 0.2891 0.2162 0.7673 4.9404 5.4711 10.1898 10.9361 9.1327 8.0385 10.6036 12.3104 10.9834 12.3334 5.4765 7.1532 9.6107 9.9183 7.9029 6.7718 lactate Lactic acid 0.6981 0.4377 2.2120 1.6882 0.4635 0.5401 0.7752 1.3653 3.1984 2.3648 1.7394 0.2872 11.5860 9.6353 0.6021 0.1527 0.6710 0.4208 0.2244 0.3850 0.8038 1.0815 0.1110 0.4379 0.2386 0.2473 0.0851 0.1141 0.0597 0.6634 0.4213 0.6521 1.4880 1.5607 1.1050 0.9185 2.4036 1.9892 1.2593 1.2698 2.3864 2.1841 1.4042 1.8877 2.9720 3.2158 3.0377 5.9114 lactosyl-N-arachidoyl-sphingosine (d18:1/20:0)* 16.1038 0.2995 0.3093 0.4071 16.5887 13.2179 20.9120 0.1978 0.1978 0.1978 0.1978 0.1978 0.8083 0.7097 0.5826 0.1978 0.1978 0.3192 0.3618 0.3180 1.0093 1.0099 0.5548 1 0.2700 0.1978 0.2387 0.3599 0.1978 0.1978 0.1978 0.1978 0.1978 0.1978 0.3824 0.3507 2.4780 1.9369 1.5473 1.5484 1.1921 1.2440 1.1822 1.0524 1.4188 1.3866 1.3980 0.8552 lactosyl-N-behenoyl-sphingosine (d18:1/22:0)* LacCer 18:1;O2/22:0 11.9977 1.0657 1.4206 1.6665 13.7611 11.7391 14.6913 1.2227 1.1829 1.1988 1.3592 0.6591 1.7952 1.4023 0.8940 0.2120 0.4136 0.3145 0.1919 0.2125 1.6734 1.8741 1.0958 2.6477 0.3314 0.3505 0.2379 0.3444 0.3429 0.3658 0.2203 0.4413 0.4989 0.5459 0.5199 0.4961 1.5586 1.2807 1.1808 1.3863 0.8415 0.8305 0.9343 0.7561 1.1111 1.1792 1.1533 0.8042 lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)* LacCer 18:1;O2/24:1 4.6156 1.1465 1.1781 1.2935 4.8637 4.3337 5.4811 1.1281 1.0134 1.1114 0.9866 0.7553 1.3844 1.2372 1.3621 0.5758 0.7544 0.6808 0.6479 0.6831 1.7971 1.9976 1.2459 2.9218 0.5713 0.6044 0.4486 0.7695 0.3551 0.8548 0.5382 0.7232 0.5358 0.5254 0.4439 0.3797 1.8372 1.5536 1.1207 1.0809 0.7545 0.7474 0.7201 0.6513 1.1564 1.2134 1.1862 0.7445 lactosyl-N-palmitoyl-sphingosine (d18:1/16:0) LacCer 18:1;O2/16:0 3.0300 1.4483 1.4994 1.5002 4.0587 4.5634 5.3749 1.0796 0.9378 1.1042 1.0635 1.1461 1.0125 1.0790 0.7435 0.3295 0.3988 0.2657 0.2187 0.2459 0.9593 0.8627 0.8001 1.5731 0.3965 0.4184 0.1567 0.2909 0.5376 0.4243 0.2849 0.4075 0.3749 0.4140 0.3118 0.3982 2.0440 2.0502 2.0063 1.4744 1.5261 1.4008 1.3740 1.4784 1.0599 0.9875 1.0944 0.7630 lactosyl-N-stearoyl-sphingosine (d18:1/18:0)* LacCer 18:1;O2/18:0 11.8316 0.8021 0.6057 0.6412 12.1780 10.6660 14.4452 0.4818 0.2696 0.4131 0.4222 0.2696 0.4105 0.3487 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.7937 0.9083 0.2696 1.1890 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 0.2696 2.2234 1.3821 1.4099 1.5927 1.0780 1.2382 1.1752 1 0.2696 0.2696 0.2878 0.2696 lanthionine Lanthionine 0.7520 3.4088 1.6118 2.3606 0.9451 1.0730 1.0211 2.5619 1.6479 1.9334 1.5473 1.7382 0.8665 0.4149 3.0752 0.8209 1.5999 0.3732 0.5140 2.4568 2.2189 2.0493 2.2470 5.2764 0.7706 2.4351 0.1999 1.1336 0.4855 0.9789 0.8316 1.9123 0.4762 0.8989 1.9443 2.1159 0.5090 0.3833 0.4386 0.5767 1.3060 1.5716 0.3260 0.3539 0.2638 0.3295 0.1103 0.4299 leucine Leucine 0.7202 1.3022 0.9035 1.0596 0.8157 0.5697 0.6578 0.9434 0.8259 0.9138 0.8973 0.8861 1.5120 1.4862 1.9722 0.6832 1.0214 1.2849 0.9786 1.2293 1.2096 1.3422 1.3184 1.6968 1.2229 1.1305 0.9249 1.0554 0.6661 1.0790 0.9371 1.1951 1.2200 1.1539 1.1523 1.0264 0.2337 0.2065 0.3558 0.3306 0.7509 0.6288 0.4092 0.4265 1.0332 1.0538 1.0324 0.7807 leucylalanine Leu-Ala 0.0941 1.3751 0.0924 0.2774 0.2656 0.1663 0.2513 0.1935 0.1445 0.1721 0.1869 0.8995 0.0711 0.0711 0.8952 2.5080 3.9169 2.1358 8.4102 1.9665 2.6175 2.7245 6.4323 0.6547 5.3019 4.8016 2.1974 1.4801 2.2966 2.1904 1 0.4291 2.5300 2.4301 2.0190 1.9929 0.0809 0.0711 0.0711 0.0711 0.0711 0.0711 0.1128 0.1372 0.0711 0.1437 0.0711 0.0711 leucylglutamine* Leu-Gln 0.1880 2.1504 0.2191 0.5050 0.3712 0.2923 0.4028 0.4148 0.4186 0.2546 0.3308 1.5706 0.1894 0.1824 1.1647 2.6395 4.0934 1.9658 10.6487 2.8683 2.9083 3.1489 9.5939 1.4450 4.9718 4.6678 2.6235 1.4163 3.1285 2.8469 1.1926 1 2.4671 2.5712 1.8389 2.0093 0.0620 0.0620 0.0761 0.0815 0.0827 0.1230 0.1600 0.1261 0.1213 0.1313 0.1115 0.0920 leucylglycine Leu-Gly 0.3091 2.8817 0.2894 0.8248 0.6788 0.5908 1 0.3474 0.5467 0.2929 0.4878 1.6117 0.0821 0.3849 2.3637 14.2922 15.1086 8.9382 32.6714 9.6450 9.1428 9.5950 21.3296 1.5175 19.5532 19.6743 6.6271 5.6481 11.2220 6.9917 2.6951 0.9775 11.3826 13.8307 10.5444 11.8460 0.1257 0.0821 0.2249 0.1947 0.1313 0.1456 0.2749 0.3091 0.2385 0.2886 0.2089 0.1731 lignoceroylcarnitine (C24)* CAR 24:0 5.1308 0.5005 0.5005 0.5005 6.0642 0.9869 1.6237 0.5005 0.5005 0.5005 0.5005 0.5005 1.8641 2.1101 1.3283 0.5005 0.5005 0.5005 0.6436 0.6450 0.6799 0.7749 0.9307 2.1416 0.5005 0.5005 0.7718 0.5005 0.5005 1.6196 0.8398 2.5572 0.5005 0.5005 0.5911 0.6662 1.2642 1 1.6984 1.6701 0.8457 1.3807 0.5005 0.5127 0.5005 0.5005 0.5005 0.5005 lignoceroyl sphingomyelin (d18:1/24:0) SM 18:1;O2/24:0 0.8402 0.8621 1.1054 1.2636 0.8956 0.5200 0.6616 1.1380 1.0872 1.2036 1.1495 0.5185 1.5525 1.3428 1.8787 0.2728 0.6979 0.8778 0.2542 0.2613 1.7662 1.8938 1.4032 1.8263 0.7807 0.8489 0.3910 0.5979 0.4709 0.6477 0.3806 0.7210 2.2104 2.2886 2.0004 1.7348 0.4863 0.4016 0.6712 0.6123 1.4607 1.4611 1.0364 0.9636 2.1511 2.3101 2.1836 1.8429 linoleate (18:2n6) Linoleic acid 1.7747 0.6837 0.5373 0.4781 3.6130 2.2352 4.8984 3.1014 0.5471 0.7641 0.6888 0.3470 1.4257 1.3420 1.5873 4.7123 0.9345 2.1763 1.1614 1.7216 0.9410 0.9892 0.7844 7.4942 1.3442 2.2335 1.0108 1.3895 0.5737 7.6551 1.4388 10.8781 0.4393 1.3980 0.9632 0.9044 0.9343 0.6523 0.5402 0.8052 1.2039 2.0798 1.6604 0.8621 0.9094 0.9569 0.5067 0.9208 linolenate (18:3n3 or 3n6) Octadecatrienoic acid 2.6687 0.7373 0.6964 0.7076 4.8260 3.7818 6.5485 3.5147 0.7799 1.1072 0.9827 0.3856 1.4898 1.3555 1.3675 2.9996 0.8819 1.5312 1.1268 1.5116 0.9994 1.0781 0.8331 10.1673 1.3688 2.3595 0.8026 1.0006 0.6135 8.4189 1.5117 14.7849 0.5185 1.1730 0.9777 0.9512 0.5591 0.4370 0.3764 0.5051 0.9186 1.5446 1.2448 0.7633 0.8204 0.8811 0.5145 0.8552 linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]* DG 18:2_20:4 0.3069 0.2090 0.2090 0.2090 0.2090 0.2090 0.3556 0.2090 0.2090 0.2090 0.2090 0.2090 0.8460 0.7259 0.2090 0.2090 0.2090 0.2090 0.2090 0.2090 0.2090 0.2090 0.5283 0.2090 1.4329 1.2696 1.8420 0.9289 0.2090 0.2090 0.2090 0.2090 0.2090 0.2090 0.2090 0.3837 1.7143 2.1221 0.7342 1.0711 2.2958 1.5943 1.1923 1.3263 0.2090 0.2090 0.4024 0.2090 linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]* DG 18:2_20:4 1 0.8080 0.6410 0.6330 0.6437 0.6522 1.9092 0.4209 0.4376 0.2744 0.5921 0.2744 1.1914 1.1457 0.6759 0.6827 4.1464 1.6266 4.9097 4.8935 0.5166 0.9440 1.2015 5.7450 1.7391 1.6687 2.1367 1.9723 0.2744 4.3823 3.5486 8.3161 1.0471 1.1028 1.0035 0.8975 0.2744 0.4807 0.2744 0.3378 0.5385 0.2744 0.6984 0.6203 0.2744 0.2744 0.2744 0.2744 linoleoylcarnitine (C18:2)* CAR 18:2 1.1415 0.2866 0.2866 0.2866 0.8922 0.3344 0.9797 0.2866 0.2866 0.2866 0.2866 0.2866 14.1199 24.2273 0.2866 0.2866 0.2866 0.2866 0.2866 0.2866 0.2866 0.2866 0.2866 1 0.2866 0.2866 0.2866 0.2866 0.2866 0.4956 0.4937 1.3079 0.2866 0.2866 0.2866 0.2866 2.0086 1.1133 0.2866 0.2866 0.2866 0.2866 0.2866 0.2866 0.2866 0.2866 0.2866 0.2866 linoleoyl ethanolamide Linoleoyl-EA 1.5674 0.8995 0.8095 0.6554 3.3841 1.7913 5.3753 3.4783 0.8028 0.9178 0.7325 0.3036 3.4894 5.6145 2.4556 2.2877 0.4384 1.9112 0.3036 0.3036 0.6063 0.9130 0.4648 8.1344 0.6010 1.3580 0.3985 0.5141 0.3036 2.4929 0.3036 5.4678 0.3036 1.4149 0.4772 0.8230 0.9106 0.6013 0.3036 1 0.4550 1.5958 0.7731 0.3036 3.7321 3.5095 2.0012 3.7650 lysine Lysine 0.9357 1.6264 1.2094 1.2483 1.0646 0.6752 0.7956 1.4352 1.2214 1.2992 1.2233 1.2481 2.0822 1.9406 2.3272 0.4794 0.7255 0.9632 0.6943 0.9393 1.1169 1.2266 1.1449 2.4005 0.8720 0.7948 0.8026 0.8378 0.4664 1.0479 1.0368 1.4277 0.9597 0.8186 0.9180 0.7906 0.2711 0.2342 0.4320 0.3997 1.2744 0.9196 0.5519 0.5591 1.8672 1.7455 1.8408 1.0764 lysylleucine Lys-Leu 0.0933 0.3431 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 0.9911 0.9124 1.3914 1.1679 3.5015 2.3009 1.1245 1.2639 2.6637 0.5336 1.8060 1.8210 0.9204 1.0731 0.8461 0.9119 0.2110 0.1264 1.0089 1.0296 0.9116 0.7976 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 0.0933 malate Malic acid 1.5196 1.2910 3.2691 2.6407 1.2486 0.9083 1.2485 2.5291 3.2790 3.3419 2.9216 0.9572 6.7555 6.2116 2.2672 0.1719 0.9541 0.9955 0.4733 0.5472 0.7714 0.7037 0.6794 0.9926 1.0394 1.0045 0.3727 0.9540 0.4679 0.7853 0.5348 0.9431 1.0605 1.0131 1.2511 1.0094 0.6582 0.4967 0.6549 0.5832 1.1903 0.7728 0.4882 0.6168 1.1799 1.0589 1.2436 1.8943 malonate Malonic acid 0.9682 0.8250 0.9986 1.2328 0.9905 0.8203 1.0014 1.0880 1.1257 0.9709 1.0525 0.7700 1.3212 1.0624 1.7239 0.5814 1.1449 1.3677 0.7597 0.8214 0.8893 1.3903 1.0406 1.7010 1.4820 1.4426 0.8911 0.9688 0.8393 1.0021 0.9034 1.2499 0.9483 1.1230 0.9934 1.1005 0.7151 0.5810 1.0027 1.0722 0.8921 1.4321 0.9048 0.8499 0.8812 1.0693 0.9338 1.5610 malonylcarnitine CAR DC3:0 0.6799 0.8847 0.6799 0.6799 0.6799 0.6799 0.6799 0.6799 1.1646 0.9402 0.6799 0.6799 1.4261 2.1380 0.7939 0.6799 0.7073 0.6799 0.6799 0.6799 0.6799 1 0.6799 0.6799 0.6799 0.6799 0.6799 0.6799 0.7507 0.6799 0.6799 0.6799 0.6799 0.9207 0.6799 0.6799 0.6799 0.6799 0.6799 0.6799 0.6799 0.6799 0.6799 0.6799 3.1639 3.4280 2.6462 2.7725 maltol sulfate 0.8734 0.1989 0.2722 0.1989 0.8056 0.8179 0.9854 0.6437 1.2550 0.7355 0.6067 0.1989 44.1691 48.7547 2.6055 0.7446 1.1330 2.3107 1.7632 3.1800 0.7698 0.8036 1 1.3415 0.7825 0.8564 3.1945 2.0874 0.1989 1.0746 1.0901 1.9693 4.1144 4.5146 7.7689 7.0476 0.1989 0.1989 0.1989 0.1989 0.1989 0.1989 0.1989 0.1989 0.4062 0.4887 0.4496 0.6399 mannitol/sorbitol Sorbitol 0.1016 0.2801 0.4213 0.3662 0.0925 0.0584 0.1128 0.2532 0.3224 0.3140 0.2812 0.2123 0.8147 0.7621 1.1184 0.3728 0.6339 0.5655 0.2853 0.3300 3.4830 3.8794 1.4347 1.1675 0.9842 0.9973 0.4994 1.7961 0.4934 1.0027 0.8127 1.3006 5.9021 6.0240 5.4527 4.8298 3.1241 2.5240 2.0133 1.9719 1.0773 1.0702 1.0144 1.0424 2.1080 2.1745 2.0786 2.3737 mannose Mannose 0.8295 0.5346 0.2192 0.2713 0.6485 0.6275 0.6168 0.8168 0.3515 0.9924 0.4322 0.3720 1.4752 0.7885 3.3908 0.4197 1.1044 0.9460 0.4698 0.6875 0.8712 1.0237 1.6942 1.8297 1.1099 0.9869 0.6524 1.0076 0.5992 1.0204 1.0674 1.1392 1.0467 0.8981 0.6032 0.4145 1.4953 1.0260 2.1056 3.0116 9.9046 7.7833 2.7074 3.5030 1.6463 1.3367 1.7138 1.3432 mannose 6-phosphate Mannose 6-phosphate 0.7258 0.1593 1.1445 0.6302 0.1593 0.3919 0.1593 2.5268 0.1593 1.9515 1.2978 0.1593 8.5063 3.0486 2.1118 0.1593 1.7527 0.1593 0.1593 0.1593 1.1498 0.1593 0.1593 0.1593 0.1593 0.3198 0.1593 0.1593 0.2574 0.2561 0.8322 0.6270 1.1220 0.1593 1.1073 0.5237 0.8638 0.1593 0.6877 0.4268 4.3978 0.1593 0.7820 0.1593 2.0488 0.8927 2.6035 2.3788 margarate (17:0) Margaric acid 1.1902 0.8920 0.7247 0.6423 2.4011 1.4677 3.3760 2.0624 0.6114 0.6061 0.6410 0.5824 1.4026 1.5504 1.0571 3.4631 0.8424 2.1832 1.3562 1.9318 0.9408 1.0473 0.9527 6.1323 1.1398 1.8509 1.8892 1.4672 0.6791 6.6145 1.2672 10.1923 0.5145 1.4018 1.2372 1.2247 0.5802 0.4862 0.4354 0.6815 0.6075 0.9509 0.8737 0.5439 0.7356 0.8104 0.4540 0.8371 margaroylcarnitine (C17)* CAR 17:0 3.6093 0.2656 1 0.8146 4.0499 1.4815 3.3760 0.4314 1.4750 0.9357 0.7092 0.2656 17.9842 18.9414 0.7185 0.2656 0.4531 0.2656 0.2656 0.7566 0.7619 1.3271 1.0583 5.7455 0.5664 0.4943 0.8833 0.2656 0.2656 1.8979 1.6583 5.4916 0.2656 0.2656 0.2656 0.2656 0.6329 0.2656 0.2656 0.2656 0.2656 0.2656 0.2656 0.2656 0.2656 0.2656 0.2656 0.2656 mead acid (20:3n9) ETrE(5Z,8Z,11Z) 0.8760 1.0754 0.3819 0.3933 1.8498 1.1343 2.8677 3.5442 0.4452 0.7643 0.6847 0.4347 0.8981 1.0765 5.0593 8.9265 1.2826 5.0331 0.9819 1.3188 2.2222 2.4903 0.8759 8.9307 2.1105 3.5373 0.8911 2.5149 0.4773 5.6717 1.2699 8.0684 0.7418 2.8380 1.0339 1.0181 0.7649 0.4667 0.3583 0.6829 0.7174 1.3188 0.8672 0.4291 0.4953 0.4759 0.2232 0.4797 methionine Methionine 0.6661 1.4084 1.0512 1.1190 0.7415 0.5652 0.6036 1.1419 0.9454 1.1083 1.0145 0.9343 1.8666 1.7393 1.9659 0.5533 0.9429 1.2136 1.0512 1.2816 1.2568 1.3656 1.3462 1.7925 1.1901 1.1026 1.0479 0.9167 0.5976 0.9350 0.8150 1.1505 1.1229 0.9862 1.0875 0.9335 0.2425 0.2337 0.3334 0.3194 0.7536 0.5936 0.4052 0.4381 1.0246 0.9985 1.0015 0.6676 methionine sulfone Methionine sulfone 1.9697 0.4989 2.2775 1.4470 1.4601 0.6902 1 1.0732 1.6999 1.4828 0.9474 0.4669 14.4785 12.7912 2.3719 0.6573 0.8476 1.2851 0.5562 1.0319 1.4200 1.2705 1.1004 2.1254 0.9521 0.8788 0.5942 2.1001 0.3564 0.5421 0.2518 1.1530 1.6135 1.7241 2.0692 2.1205 0.7371 0.5921 0.9342 0.9406 0.6413 0.9323 0.5591 0.6462 0.2518 0.2518 0.2518 0.6471 methionine sulfoxide Methionine sulfoxide 0.8830 1.2552 1.0356 1.2443 0.9644 0.5159 0.8163 1.5486 1.1472 1.2297 0.9452 0.7369 1.1679 1.1054 1.9706 0.6651 1.0891 1.1623 0.6354 1.0991 1.4081 1.6964 1.1910 3.2273 1.2290 1.2572 0.8601 1.1195 0.5296 0.8450 0.8419 1.4254 1.5891 1.3855 1.2946 1.3407 0.1038 0.1166 0.1335 0.1382 0.2260 0.2169 0.1005 0.1241 0.3000 0.3368 0.3161 0.2777 methyl glucopyranoside (alpha + beta) Methyl glucose 0.8027 0.3311 0.2728 0.3928 1.2563 1.2771 1.3084 0.5031 0.3011 0.4563 0.4135 0.2073 0.8501 0.7034 1.2874 2.1080 1.0334 1.4032 4.0997 6.6983 0.9225 1.3310 1.3925 2.7238 1.2687 1.4666 1.4341 2.8837 0.6617 4.0058 3.0710 4.3139 0.8581 1.2653 0.7336 0.9185 0.5014 0.5333 0.6654 0.6787 0.6701 0.9666 0.5435 0.9215 1.2422 1.2444 1.0623 1.3749 methylmalonate (MMA) Methylmalonic acid 1.5494 0.1774 1.5265 1.1988 1.0560 1.7372 1.3278 1.0739 0.9396 0.1774 0.1774 0.1774 1.1579 0.1774 1.7338 0.1774 0.9440 0.6506 1.7127 0.1774 0.3817 0.4805 0.4211 0.3959 0.1774 0.3002 0.7031 0.7402 0.1774 0.4590 0.5871 0.4543 0.1774 0.1774 0.1774 0.1774 0.1774 0.1774 1.1323 0.1774 1.8214 1.6097 0.6417 0.1774 1.1826 0.9136 1.4252 1.3623 methylphosphate Methanolphosphate 1.9466 1.4007 2.7014 2.0317 1.1668 0.5236 0.9840 2.8673 2.3691 3.8423 2.1505 0.9322 7.7058 4.6350 0.8576 0.3629 0.3777 0.5138 0.3483 0.4113 0.3757 0.8476 0.4690 1.7736 0.3443 0.4453 0.2555 0.5169 0.2242 1.0160 0.8322 1.0697 0.4440 0.5209 0.4288 0.5057 0.7535 0.8244 1.0478 1.1626 2.3974 2.9914 1.4296 1.7097 1.0339 1.3409 1.0458 1.5144 methylsuccinate Methylsuccinic acid 1.4377 0.3142 1 0.8058 1.2536 1.0632 1.1074 0.3142 1.2197 0.9656 0.8986 0.5440 8.2719 7.4052 1.9740 0.7087 1.0206 1.1050 0.8339 0.9624 1.1490 1.1995 0.3142 0.3142 0.8336 0.8838 0.7674 1.2655 0.3142 0.8762 0.4985 0.8350 1.5580 1.4523 1.5194 1.2233 0.6128 0.5797 0.4589 0.4107 0.8116 0.7415 0.7074 0.3142 1.5831 1.5181 1.7223 1.6144 myo-inositol Myo-inositol 0.9202 0.4188 2.0212 1.3385 0.9174 0.5804 0.6659 1.5468 2.5237 2.4482 2.1008 0.3535 34.0051 29 2.5193 0.5313 0.8790 1.0072 0.6335 0.8240 0.8316 0.9197 0.7095 1.0194 1.3037 1.3110 0.5664 1.7099 0.3940 1.2770 0.9928 2.2287 0.5799 0.5617 0.7780 0.6971 3.2096 2.3935 2.8544 2.8771 3.3145 3.4115 2.6099 2.7623 0.5075 0.5510 0.5406 0.9202 myristate (14:0) Myristic acid 0.8617 0.8167 0.6626 0.5676 1.4495 1.1053 1.7850 2.8720 0.8208 0.9320 0.8636 0.5408 0.9539 0.9178 1.0461 1.7258 0.6465 1.2630 0.6324 0.8391 0.5759 0.5490 0.5669 2.8108 0.7501 1.1822 0.6087 0.9239 0.4897 3.3648 0.9139 4.9195 0.5043 1.0762 0.8834 0.8549 1.8302 1.5165 1.2893 1.6236 3.4789 4.9724 4.0717 2.6157 2.6782 2.8649 1.6592 3.0282 myristoleate (14:1n5) Myristoleic acid 1.1821 0.5302 0.5519 0.5846 1.1426 0.9114 1.6462 1.5350 1.2182 1.4589 1.4792 0.2621 2.6063 2.3359 0.8351 0.5910 0.6468 0.6693 0.6128 0.5774 0.4771 0.4434 0.5665 1.7768 0.7952 0.8520 0.2809 0.6102 0.3194 1.0886 0.5463 1.2061 0.4372 0.4255 0.4055 0.5777 4.2334 4.0562 2.3651 2.1594 7.1089 7.1403 4.3458 4.2333 2.1698 2.1159 1.9405 1.6042 myristoylcarnitine (C14) CAR 14:0 1.0638 0.4901 0.8859 0.7485 0.9605 0.4790 0.8072 0.7551 1.5813 0.9383 1.0395 0.2601 14.4828 19.7205 0.5651 0.2107 0.2107 0.2107 0.2107 0.2726 0.2107 0.2707 0.4267 1.4079 0.2107 0.2107 0.2107 0.2107 0.2107 0.9203 0.5885 2.4366 0.2684 0.2957 0.2107 0.4132 9.4082 5.4330 2.0015 2.2911 3.1349 3.7009 1.6462 2.4186 1.1876 1.0689 1.0658 1.5115 myristoyl dihydrosphingomyelin (d18:0/14:0)* SM 18:0;O2/14:0 2.4284 1.3459 2.2125 2.2253 2.5154 1.3385 1.9058 1.5182 1.6528 1.7736 1.7434 0.9363 1.2066 1.1774 1.7599 0.3679 0.7519 1.0638 0.6598 0.7667 0.5562 0.6095 1.2457 2.0606 0.8792 0.8454 0.5077 1.2886 0.4516 0.5660 0.3696 0.5947 1.3828 1.4968 1.3846 1.2134 0.3140 0.2990 0.6262 0.5047 1.0637 1.1647 0.5399 0.6354 0.2702 0.2782 0.2495 0.2823 N(^1)-acetylspermidine N1-Acetylspermidine 0.6205 0.2620 0.2948 0.3739 0.7048 0.2550 0.5956 0.3068 0.3416 0.4242 0.2823 0.1752 4.3401 5.4394 2.0414 1.0016 2.7391 0.9463 0.2923 0.4234 1.4118 1.8918 0.6757 0.7787 0.9984 0.9657 0.1594 0.3790 0.9088 0.7010 0.4780 1.0450 1.8345 1.9531 1.6116 1.9670 8.8974 11.2459 6.0089 6.7279 2.9768 4.3573 2.8174 3.9117 11.0911 12.6658 8.9258 8.7913 N(1)-acetylspermine N1-Acetylspermine 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.2560 0.8342 0.6913 0.2560 0.4444 0.2560 0.2560 0.2560 0.2560 1.4199 1.8266 1.1828 1.1658 N1_N12-diacetylspermine N1,N12-Diacetylspermine 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 0.1228 3.1881 4.0601 1.8486 2.2709 0.1228 0.2570 0.2705 0.3678 1.2227 1.4874 0.7773 0.6914 N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH)) 2.3853 0.4090 0.4063 0.4314 2.2961 1.8292 2.0408 0.3065 0.2771 0.1832 0.1832 0.3099 1.4040 1.4050 0.1832 0.1832 0.3605 0.4191 6.4729 6.7263 1.6899 1.6777 2.0340 5.5243 0.1832 0.1832 3.0402 1.0284 0.1832 0.6623 0.5098 1.0576 0.7280 0.6742 0.7174 0.7238 0.9479 0.9318 1.4530 1.3875 1 1.0202 0.6353 0.1832 0.1832 0.1832 0.1832 0.1832 N2_N2-dimethylguanosine N2,N2-Dimethylguanosine 0.4094 0.4094 0.4094 0.4094 0.8220 0.4094 0.4094 0.7730 1.1780 1.4587 0.5299 0.4094 2.0772 1.7777 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 0.4094 N6-acetyllysine N6-Acetyllysine 1.0850 2.4661 0.9884 1.1350 1.4066 0.5141 0.3912 2.1078 1.3976 1.9610 1.7059 1.0116 1.6463 1.2241 2.7191 0.2524 0.6249 0.8710 0.3438 0.5500 1.2592 1.6020 1.0277 2.0630 0.6715 0.5514 0.6890 0.5264 0.2524 0.8246 0.6796 1.0335 0.5903 0.4738 0.4671 0.3699 0.4620 0.2524 0.6655 0.6398 1.9572 1.4223 1.0910 0.9344 1.9035 1.8880 2.2650 0.7674 N6-methyladenosine N6-Methyladenosine 4.8625 4.0401 1.7474 1.4592 6.6964 2.8562 4.6954 3.7306 5.7846 4.2417 1.8075 3.3797 2.6131 1.8403 0.6709 0.3436 0.4899 0.4295 0.9287 1 0.8924 0.8915 0.3436 1.4836 0.3436 0.5551 0.3436 0.3436 0.3436 0.3436 0.3436 0.5037 0.9723 0.8209 0.9681 0.7508 0.3436 0.3436 0.3436 0.3436 1.7176 1.7366 0.5402 0.7608 0.9076 0.7854 0.9248 1.4935 N6-methyllysine N(6)-Methyllysine 1.2307 1.8709 1.0701 1.2757 1.5904 0.7048 0.6628 1.5570 1.1248 1.4214 1.3190 1.2033 1.9733 1.8746 2.6134 0.1626 0.6096 0.9299 0.3739 0.4435 1.1613 1.3563 1.2645 1.9096 0.9149 0.6330 0.8328 0.5247 0.2462 0.7760 0.6513 1.1247 0.6078 0.4734 0.6474 0.5923 0.1568 0.1210 0.6006 0.4038 1.4400 1.3973 1.1280 0.7423 2.7177 2.4463 2.8752 0.8119 N6_N6-dimethyladenosine N(6),N(6)-Dimethyladenosine 6.9299 3.5190 0.1076 0.3975 8.7852 2.8905 5.6188 3.5022 5.2846 3.8900 0.9997 2.8807 0.1076 0.1076 0.9410 0.1076 0.1076 0.1076 0.1076 0.1076 1.1365 0.9572 0.3714 2.3173 0.4585 0.1076 0.1076 0.1076 0.1076 0.1076 0.1076 0.1076 0.8585 0.7063 0.8697 0.5202 0.1076 0.1076 0.1076 0.1076 1.0003 1.2738 0.1076 0.1076 0.3716 0.1076 0.1076 0.3642 N6_N6-dimethyllysine N(6),N(6)-Dimethyl-lysine 0.6774 2.0747 0.4484 0.4484 1.0992 0.4484 0.4484 1.1533 0.5494 0.9008 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 1.9874 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.4484 0.8898 0.8401 0.5971 0.4484 2.2134 1.8409 2.3971 0.4484 N6_N6_N6-trimethyllysine N-6-Trimethyllysine 1.4486 2.7706 0.9381 0.9960 2.0189 0.7239 0.9004 1.3121 1.0443 1.0845 0.8146 1.4403 4.4274 3.8103 4.2930 0.2010 0.6852 0.9856 0.4326 0.6397 1.6222 1.5698 1.8532 3.5055 1.0950 0.8126 0.6595 0.7060 0.2561 0.7472 0.7179 1.5293 1.0040 0.8991 1.0128 0.7716 0.2234 0.1973 0.3431 0.3865 1.4854 1.3462 0.7713 0.7241 3.2840 3.2637 3.4054 2.5607 N-acetylalanine N-Acetylalanine 1.0896 1.1459 1.3562 1.4576 1.0074 0.8970 0.9303 3.1134 2.7827 3.2471 2.5776 0.8748 5.2249 4.5050 3.0014 0.2873 1.0004 0.9996 0.8783 1.3442 0.9007 1.0033 0.8319 2.0086 0.9489 0.8884 0.5541 0.7097 0.5030 0.4931 0.5609 1.1177 0.9850 0.9396 1.0822 0.8724 0.3547 0.3016 0.3282 0.3633 1.6759 1.2340 0.5623 0.7337 1.9427 2.0543 1.9786 2.2795 N-acetylarginine N-Acetylarginine 0.3856 0.8939 0.8530 1.1966 0.4369 0.3856 0.3856 0.9811 0.9060 0.8153 1.2232 0.4730 8.2251 11.4733 1.3347 0.3856 0.6289 0.8012 0.3856 0.9258 0.6776 0.8114 0.3856 2.1609 1.8348 2.0661 0.6002 0.6975 0.3856 1.1965 0.6027 2.1837 0.8052 1.1003 1.0189 1.1339 0.3856 0.3856 0.3856 0.3856 0.3856 0.3856 0.3856 0.3856 3.1094 3.9529 3.1442 3.5460 N-acetylasparagine N-Acetylasparagine 0.5643 0.8970 1.8509 1.6527 0.6353 0.5777 0.5300 1.7570 2.2878 2.2562 1.7488 0.6497 18.5618 21.7312 1.3313 0.4407 1.1012 1.1215 0.3308 0.8872 0.3308 0.8992 0.4513 2.7704 1.7427 2.1176 0.5155 1.9643 0.6933 1.3139 0.7739 2.1610 1.8090 1.6922 2.2501 2.9153 0.3513 0.3997 0.3760 0.4166 0.4377 0.6579 0.5276 0.5154 1.1652 1.1880 0.8447 1 N-acetylaspartate (NAA) N-Acetylaspartic acid 2.2271 0.0067 0.0211 0.0173 1.7455 1.3880 1.7082 0.0283 0.0418 0.0613 0.0470 0.0060 16.3590 17.3111 3.1460 0.3895 1.2235 1.3002 1.3058 1.3436 0.5439 0.6558 0.7605 1.0558 2.2819 2.2806 1.5228 0.7829 1.8010 0.9111 0.7950 0.9442 1.3829 1.3526 1.8786 1.7139 0.0506 0.0377 0.0624 0.0707 0.1436 0.1338 0.0786 0.0783 1.3010 1.2914 1.3058 2.4596 N-acetyl-aspartyl-glutamate (NAAG) N-Acetyl-Asp-Glu 1.8761 0.0683 0.0683 0.0683 1.5516 1.4007 1.8300 0.1208 0.1996 0.3156 0.2287 0.0683 19.4574 19.1005 1.7728 0.1801 0.9829 1.6056 0.7766 1.1635 0.5589 0.6450 1.0625 0.9859 1.1307 1.0873 0.4976 0.5181 1.0121 1 0.8427 1.2157 1.8559 1.9336 1.9551 2.0071 0.3002 0.2474 0.3753 0.4690 0.8244 0.9901 0.3997 0.4529 6.7819 7.7806 6.4826 10.1907 N-acetylcysteine N-Acetylcysteine 1.0304 2.2476 2.6217 3.4706 1.5411 1.2269 1.0301 1.7367 1.3119 1.6085 2.3926 1.6327 1.4600 2.0627 1.3525 0.1325 0.3368 0.4625 0.1737 0.3938 0.4760 0.5739 0.7318 2.4526 0.4686 0.6555 0.1295 0.2928 0.5483 0.4099 0.3147 0.9497 0.3627 0.4124 0.5997 0.6320 0.6604 0.5349 0.5380 0.9699 1.9679 3.1325 1.9304 2.4061 2.4186 2.4468 1.5497 2.9820 N-acetyl-glucosamine 1-phosphate N-Acetylglucosamine 1-phosphate 1.6222 1.0128 0.9079 1.4009 1.5025 0.6478 0.8964 1.0026 1.7444 0.7753 0.9141 0.8863 1.1746 0.8822 1.2080 1.1676 2.0827 0.6065 3.1621 3.0972 0.7384 0.8503 1.7379 2.0397 3.9683 5.3692 0.9178 1.9671 2.4676 2.4383 1.4800 1.6286 0.5379 0.5026 0.5460 0.5878 0.4085 0.5725 1.4640 0.9974 0.7859 0.6077 1.3279 1.1316 0.3773 0.3730 0.4182 0.4437 N-acetylglucosamine 6-phosphate N-Acetyl-glucosamine 6-phosphate 3.1970 2.5882 1.0469 1.3107 2.9198 1.3348 1.8459 1.3883 2.8198 1.0238 1.0245 2.3113 0.5981 0.2800 2.0875 0.1686 1.9560 1.1731 0.0608 0.1602 0.9762 1.0952 2.1566 3.3190 2.3550 2.0992 0.2409 0.7828 1.6805 1.6398 1.7238 2.6879 0.8502 0.7776 0.8751 0.7438 0.1929 0.1792 0.3705 0.2466 0.5633 0.4243 0.2417 0.1355 0.1883 0.1557 0.2037 0.2130 N-acetylglucosamine/N-acetylgalactosamine N-Acetylhexosamine 1.0929 0.6512 0.9025 1.0268 1.2728 0.9962 1.0841 1.2548 1.0537 1.2802 1.1582 0.5109 0.9944 0.8725 1.7121 0.5208 0.6444 0.8043 0.8053 1.1140 0.8867 1.0038 0.9642 1.4822 0.9408 0.9079 0.4225 0.9410 0.6289 0.6366 0.4564 0.6939 0.6581 0.7682 0.5890 0.5614 1.5026 1.3364 1.8926 2.0740 3.6139 4.1434 2.1390 1.9661 1.9628 1.8593 1.8420 2.3569 N-acetylglucosaminylasparagine Aspartylglycosamine 1.3880 0.6463 2.1954 1.9967 1.3088 1.1086 1.2252 1.2237 1.7879 1.9401 1.5432 0.5641 30.7285 31.3203 1.2820 0.1465 0.3891 0.4199 0.1465 0.1465 0.8522 0.9227 0.4511 0.9782 0.9263 1.0951 0.1465 0.5238 0.4707 0.1902 0.2297 0.5232 1.0218 0.8993 1.3295 1.2715 1.0592 0.7706 0.5879 0.8614 0.4828 0.7967 0.1465 0.3983 1.4148 1.8887 1.3864 2.2692 N-acetylglutamate N-Acetylglutamic acid 1.1530 0.0996 0.2864 0.2633 1.1627 0.8748 1.2742 0.3120 0.4705 0.4902 0.3886 0.0826 9.9911 11.4061 2.0016 0.9216 1.9641 2.2407 0.6481 1.0947 0.7724 1.0301 0.7822 0.9778 4.5582 4.8406 1.0222 2.0690 1.2881 2.3106 1.8399 3.1118 3.1294 3.5756 4.3935 4.8703 0.0652 0.0544 0.1045 0.1554 0.2318 0.3048 0.1535 0.1905 0.9274 1.1321 0.8672 2.4298 N-acetylglutamine N-Acetylglutamine 0.7482 0.9220 2.3180 2.3942 0.8411 0.6320 0.9800 1.7784 3.8234 3.3697 3.0352 0.7077 17.7832 19.4905 1.6664 0.5575 0.9758 0.8817 0.4644 0.6416 1.2149 1.5013 1.2052 2.0318 1.9772 2.6932 0.3285 0.9216 1.3026 1.0200 0.6354 1.1576 0.8144 0.9657 1.0701 1.1622 0.4672 0.4915 0.5808 0.5680 0.5848 0.6852 0.4971 0.5368 2.4612 3.2876 2.1286 5.0436 N-acetylhistidine N-Acetylhistidine 1.6474 0.4336 0.5003 0.9531 1.7529 1.0320 1.2483 0.9680 0.4336 0.8660 0.9319 0.4336 4.8239 6.8563 1.1945 0.6791 0.4336 0.9571 0.8225 1.6796 0.4336 0.7355 0.6234 1.6993 1.5305 1.6116 0.4336 0.4336 0.8845 0.8551 0.4336 0.9273 0.4336 0.4336 0.4336 0.7434 0.4336 0.4336 0.4336 0.4336 0.4336 0.4336 0.4336 0.4336 2.4310 2.6405 1.7845 1.8118 N-acetylleucine N-Acetylleucine 0.3391 0.4626 1.8752 0.9903 1.2792 0.3391 1 1.5964 1.1639 1.0490 0.7085 0.9682 4.9557 4.5577 1.0254 0.3391 0.3391 0.4761 0.3391 0.9316 0.6775 0.7666 1.5551 1.6421 0.4458 1.6339 0.6271 0.3391 0.3391 0.7734 0.3391 0.4660 0.3391 0.3391 0.7372 1.4723 0.3391 0.3391 0.3391 0.3391 0.3391 0.7179 0.9301 0.3391 1.2415 1.7873 1.0416 1.4181 N-acetylmethionine N-Acetylmethionine 1.1871 1.5029 1.2645 1.3855 1.3222 0.9641 1.1582 2.3201 1.9977 2.1008 1.8415 0.9742 2.0118 1.6476 2.5980 0.3086 0.5549 0.8473 0.6195 0.9277 1.0258 1.2531 1.1486 2.0476 0.7056 0.7050 0.5612 0.7001 0.3255 0.3870 0.3759 0.8113 1.0346 0.8460 0.9442 0.7635 0.2543 0.2139 0.3284 0.3627 1.6770 1.2652 0.4372 0.6946 2.2613 2.4154 2.4030 2.0234 N-acetylmethionine sulfoxide N-Acetylmethionine sulfoxide 1.6169 1.9959 1.7360 2.1611 2.0205 0.8590 1.7518 4.3161 3.3150 3.2022 2.6246 1.0993 1.1845 1.3248 2.3353 0.3759 0.5754 0.9765 0.3160 0.8746 1.2139 1.7854 0.9535 4.2233 0.9250 0.8977 0.5510 0.8891 0.4031 0.4444 0.4602 1.4237 1.4489 1.3750 1.1895 1.3268 0.1233 0.1689 0.1433 0.2034 0.5435 0.6081 0.1487 0.2345 0.8199 1.0235 0.7653 1.1449 N-acetylneuraminate N-Acetylneuraminic acid 0.7417 0.7744 0.9829 1.0082 0.7981 0.6865 0.8621 1.0856 1.0807 1.1853 1.0316 0.5453 1.3644 1.2955 1.2589 0.4418 0.9333 0.7846 0.4685 0.6069 1.0058 1.0876 1.0745 1.4983 0.8453 0.8440 0.3326 0.7323 0.5186 0.9942 0.6921 0.9356 0.6663 0.7164 0.6553 0.6443 3.2451 2.6626 2.2825 2.5812 2.6192 2.5088 2.0317 2.0323 1.9487 2.1011 2.0453 3.0971 N-acetylphenylalanine N-Acetylphenylalanine 1.0899 0.7651 1.1917 1.4277 0.7574 0.5435 0.9785 1.8639 1.0885 1.5732 1.6198 0.5084 3.6126 3.7817 1.7209 0.5084 0.9483 1.0334 0.9553 0.7590 1.0215 1.2943 0.5084 2.3462 0.8325 0.9130 0.5084 0.6941 0.5373 0.5360 0.7178 1.0561 1.4628 1.3637 1.3711 1.2105 0.5084 0.5084 0.5084 0.5084 0.5084 0.6343 0.5084 0.5084 0.5952 0.6373 0.7068 0.7171 N-acetylputrescine N-Acetylputrescine 4.2411 0.4470 1 1.0449 4.6558 1.2936 1.4779 2.7948 3.3020 3.5736 3.2287 0.2409 1.1203 1.3310 0.4305 0.0658 0.0658 0.0717 0.0658 0.0658 0.0658 0.0658 0.1254 0.4594 0.0658 0.0658 0.1208 0.0658 0.1224 0.0658 0.0658 0.1360 0.0836 0.0658 0.0856 0.0967 2.0300 2.1934 1.5172 1.5672 0.9346 1.2720 0.8083 0.9760 1.1001 1.1752 0.9509 0.6481 N-acetylserine N-Acetylserine 0.7152 0.4400 0.5073 0.4213 0.9803 0.8500 1.1153 0.5968 0.8469 0.7855 0.5945 0.3342 3.4354 3.4726 3.2962 1.2498 1.0197 2.5219 0.4147 0.8018 1.7180 2.0712 1.1501 1.2942 1.4970 1.3840 1.2720 2.2698 0.7710 0.9466 0.9367 1.4632 2.3263 2.3277 1.9540 1.8969 0.3270 0.2899 0.3501 0.3486 0.6016 0.7421 0.4083 0.3888 1.3001 1.2394 1.1366 1.1701 N-acetyltaurine N-Acetyltaurine 1.2151 0.2066 1 0.7241 1.0959 0.9495 1.0985 1.1865 1.5971 1.7692 1.5142 0.1248 2.6407 2.0165 0.2536 0.1248 0.1248 0.1248 0.1248 0.1248 0.1248 0.1248 0.1248 0.2341 0.1248 0.1248 0.1248 0.1248 0.1248 0.1248 0.1248 0.2979 0.1248 0.1248 0.1248 0.1248 1.3538 0.9579 0.7050 0.7041 0.9253 0.7509 0.8060 0.9800 2.6898 2.8936 2.9314 5.9051 N-acetylthreonine N-Acetylthreonine 0.6930 0.2532 0.3617 0.2803 1.0155 0.6706 1.0457 0.4294 0.5188 0.5220 0.3784 0.1705 6.0507 4.5484 6.4577 1.3501 1.0346 2.4960 0.5971 0.9990 1.3347 1.4067 0.6965 1.0010 1.2856 1.1267 2.4489 2.5535 0.4817 0.7545 0.7948 1.5060 1.8856 1.6967 1.6267 1.2693 0.3314 0.2476 0.2887 0.2876 0.6667 0.5535 0.2825 0.3009 2.8145 2.6218 3.0085 2.2028 NAD+ NAD 2.7158 1.3098 3.1041 3.2425 2.6081 2.3400 3.8127 1.1776 3.3479 1.4025 1.6693 1.0590 0.4938 0.4683 0.1540 0.0493 0.0750 0.0963 0.0493 0.0527 0.1080 0.1328 0.1066 0.1580 0.0724 0.0882 0.0493 0.0753 0.0493 0.0519 0.0493 0.0742 0.1269 0.1361 0.1259 0.1181 0.9410 0.8724 1.2623 1.8359 2.7887 4.3885 2.3643 3.0696 4.1184 5.9146 4.6741 5.4347 N-arachidonoyltaurine N-Arachidonoyl taurine 1.0982 0.1389 0.1389 0.1389 2.4195 0.9018 4.5284 0.1389 0.1389 0.1389 0.1389 0.1389 0.5453 0.8947 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 1.2580 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 0.1389 N-carbamoylaspartate N-Carbamoylaspartic acid 0.2070 1.7151 4.5157 4.1413 0.2431 0.2973 0.7161 2.4342 2.6395 3.3883 4.2017 2.0247 7.3106 10.7617 1.1413 0.2070 0.4147 0.7015 0.2070 0.2070 0.5009 0.5267 0.6882 1.1460 0.8382 0.6510 0.2070 0.2070 0.9082 0.6489 0.5172 1 1.6299 1.4779 4.2481 3.8983 0.2070 0.2070 0.2070 0.2070 0.2070 0.2070 0.2070 0.2070 0.5159 0.6078 0.6306 3.4312 N-delta-acetylornithine N(5)-Acetyl-ornithine 1.8991 0.5481 1.5149 1.1567 1.7809 0.8980 0.9891 0.8980 1.5868 1.3203 1.0551 0.5481 7.1863 6.1814 0.5481 0.5481 0.5481 0.5481 0.5481 0.5481 0.5481 0.6916 0.5481 1.1397 0.5481 0.5481 0.5481 0.9476 0.5481 0.5481 0.5481 0.5481 1.0127 1.0021 1.0906 1.2793 0.6570 0.5481 0.7528 0.8308 0.8811 0.9005 0.7650 0.8053 0.5481 0.5481 0.5619 1 nervonoylcarnitine (C24:1)* CAR 24:1 3.7673 0.3340 0.3340 0.3340 3.6561 0.9163 1.1632 0.3340 0.3340 0.3340 0.3340 0.3340 1.7381 1.4120 0.8600 1.1445 0.3340 0.4613 0.9450 1.3939 0.3340 0.3340 0.5167 1.0986 0.3340 0.3340 1.0548 0.9192 0.3340 1.7322 0.8020 2.1670 0.3340 0.3340 0.3340 0.3340 1.2727 0.8363 0.9452 1.1011 0.5865 0.4377 0.3340 0.3571 0.3340 0.3340 0.3340 0.3340 N-formylmethionine N-Formylmethionine 1.2620 0.7727 1.5769 1.3138 1.3771 0.9895 1.1687 1.1794 1.3791 1.3152 1.0917 0.5733 5.0348 4.7687 1.7297 0.1582 0.7253 0.7745 0.2642 0.3126 0.7629 0.8653 0.6399 0.6818 0.6100 0.6386 0.2832 0.7269 0.3249 0.3688 0.2674 0.3415 0.7087 0.7278 0.8565 0.7847 1.0503 1.0105 1.2876 1.4753 2.9486 3.6203 2.5077 2.9091 2.3501 2.6583 2.4818 3.0077 N-formylphenylalanine N-Formylphenylalanine 0.5068 0.1896 0.8394 1.0762 0.4565 0.3582 0.5381 2.0107 1.1614 1.1779 1.1534 0.5787 1.1008 0.1896 2.2275 1.2653 1.0469 1.1060 0.4438 0.6052 1.5093 2.3139 0.9531 3.6362 1.5413 1.4699 0.8257 1.2821 0.5727 0.7438 0.8410 1.5453 1.8803 1.6191 1.4318 1.1833 0.1896 0.1896 0.1896 0.2255 0.2366 0.3061 0.1896 0.1896 0.3268 0.2869 0.2855 0.2278 N-glycolylneuraminate N-Glycoloylneuraminic acid 0.7354 0.7102 1.2392 1.4236 0.7152 0.5897 0.5897 1.1592 1.2842 1.5019 1.2358 0.5897 3.2039 2.8261 1.3257 0.5897 0.7275 0.5897 0.5897 0.6200 0.5897 0.5897 0.5897 1.3992 0.7774 0.7629 0.5897 0.8862 0.5897 0.9821 0.5897 1.1422 0.5897 0.5897 0.5897 0.5897 0.5897 0.5897 0.5897 0.5897 1.2092 0.9386 0.5897 0.5897 0.9841 0.8990 1.0415 1 nicotinamide Niacinamide 1.3501 0.8326 0.8874 0.7852 1.5096 1.2769 1.3200 1.0971 0.8049 1.2284 1.1087 0.5383 5.3465 5.5204 1.4886 0.2023 1.1382 1.1895 0.5865 0.9383 1.3311 1.7050 1.0672 1.4544 1.3717 1.4647 0.3675 1.1829 0.7015 0.8399 0.6210 1.0617 1.4520 1.5751 1.5219 1.6830 0.3495 0.2844 0.3080 0.3491 0.4656 0.2378 0.5412 0.5870 0.5197 0.4893 0.4699 0.4783 nicotinamide ribonucleotide (NMN) Nicotinamide ribotide 1.1225 0.1547 0.1590 0.2751 1.3017 1.9686 2.8704 0.0838 0.1719 0.0673 0.0860 0.1315 0.0321 0.0328 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.0243 0.5986 0.6069 1.3816 1.5025 1.5143 2.5379 1 1.2497 1.6488 1.4834 1.5868 1.6047 nicotinamide riboside Nicotinamide riboside 54.7766 9.4283 2.2685 0.7056 88.5390 21.6470 57.8441 0.1263 1.2397 0.3065 0.1263 1.7195 0.6290 0.6982 0.2472 0.1263 0.3421 0.2675 0.1263 0.3476 0.2831 0.6782 0.1263 0.9055 0.2300 0.2394 0.1263 0.4049 0.1263 0.3718 0.1911 0.4497 0.8589 1.0945 0.5011 0.7168 1.8209 2.1526 3.3274 3.2452 29.5778 84.6630 5.0852 5.2225 2.2300 2.2152 1.7672 1.6302 nisinate (24:6n3) THA 1.7093 0.6989 0.6800 0.7231 3.5753 2.5603 5.1958 3.7066 0.5256 0.8121 0.7357 0.3051 1.7050 2.2064 1.8968 6.6879 1.7753 5.2273 4.4307 5.5980 0.8272 0.9378 0.9415 9.9915 2.1538 3.8923 2.8150 2.9623 0.5978 16.7954 3.4614 22.0348 0.3787 1.4566 1.1199 1.0585 0.6791 0.4339 0.3284 0.5652 0.3157 0.6647 0.4441 0.2075 0.1457 0.1470 0.0730 0.1375 N-monomethylarginine Targinine 0.6453 0.7716 0.3712 0.3507 0.8742 0.5361 0.6922 0.4784 0.4767 0.3957 0.3063 0.6046 2.5118 2.2078 4.1043 1.0060 1.2019 1.8540 0.5573 0.9291 1.3926 1.4830 0.9940 1.5901 1.4293 1.2600 1.2989 1.6105 0.7896 1.8128 1.7154 2.1990 1.5860 1.3762 1.5362 1.3116 0.2202 0.1654 0.4424 0.3508 0.8374 0.8309 0.4948 0.4027 2.0752 1.9325 2.0514 1.2192 N_N_N-trimethyl-5-aminovalerate N,N,N-trimethyl-5-aminovalerate 1.2192 0.4786 1.0954 1.0569 1.2038 0.6671 0.8736 0.8366 1.0116 1.0564 1.1097 0.3609 16.6996 16.2993 0.9884 0.5549 0.8559 1.2070 0.2749 0.3657 0.5000 0.6715 0.4502 0.3372 0.9099 0.8935 0.4096 1.4370 0.3037 0.8641 0.6743 0.9730 0.8118 0.6792 1.0508 0.8296 3.0441 2.5892 2.1244 2.3441 3.6466 4.0049 3.1650 3.3274 4.6325 5.0786 4.3482 6.2451 N_N_N-trimethyl-alanylproline betaine (TMAP) N,N,N-Trimethyl-alanylproline betaine 1.0324 0.0381 0.3451 0.0381 0.9944 0.8412 1.0078 0.0381 0.4500 0.2080 0.4999 0.0381 6.5076 6.5104 2.3686 1.0150 1.3194 1.0299 0.4537 1.0819 1.0543 1.0435 1.0056 1.5470 1.8223 0.0381 0.0381 1.8630 0.2247 1.0387 0.0381 1.0345 0.6386 0.4188 0.7833 0.6816 0.6258 0.5548 0.4845 0.4816 0.5371 0.7330 0.0381 0.4237 2.0166 2.5183 0.0381 1.9638 N-oleoylserine NA-Ser 18:1(9Z) 1 0.7929 0.3701 0.4148 2.3478 0.4585 3.0564 1.6961 0.3701 0.3701 0.3701 0.3701 1.1198 1.8301 0.3701 2.7406 0.3701 1.4697 0.3701 0.3701 0.5831 0.8130 0.3716 3.4529 0.8475 2.2719 0.3701 0.7683 0.3701 3.0403 0.3701 0.3701 0.3701 0.3701 0.3701 0.3701 0.3701 0.3701 0.3701 0.3701 0.3701 0.8216 0.3701 0.3701 0.3701 0.3701 0.3701 0.3701 N-oleoyltaurine N-Oleoyl taurine 27.3898 1.6884 1.2924 1.2130 58.2884 23.6156 85.8810 5.7002 1.6225 1.3152 1.4793 0.6932 7.8142 11.5802 0.5064 2.0103 0.1162 1.0481 0.6359 0.9519 0.1162 0.1162 0.8857 20.9804 0.7725 1.7664 0.8539 0.2922 0.8369 1.4655 0.1162 4.5205 0.1162 0.4852 0.6423 0.7144 0.1162 0.1162 0.1162 0.1162 0.2748 0.5319 0.1162 0.1162 0.4545 0.5942 0.1891 0.7311 nonadecanoate (19:0) Nonadecylic acid 1.2655 0.8629 0.6886 0.6893 2.4276 1.5971 3.8377 1.9353 0.6558 0.6535 0.6104 0.5847 1.5883 1.6029 1.2801 4.0156 0.8951 2.2723 1.9873 2.8468 0.7792 0.8810 0.7997 4.8102 0.9836 1.6116 2.3648 1.6604 0.7093 5.9935 1.4640 8.3701 0.4839 1.2739 1.0164 1.0833 0.9250 0.7668 0.6102 0.9525 0.9806 1.6395 1.4053 0.9180 0.8344 0.8679 0.4615 0.7948 N-palmitoyl-heptadecasphingosine (d17:1/16:0)* Cer 17:1;O2/16:0 1.5939 0.4456 0.4619 0.5000 1.7586 1.3167 1.7415 0.5855 0.6310 0.5897 0.5442 0.2964 1.9207 1.7303 2.0943 1.3792 0.8426 1.8035 1.4213 1.6985 1.5707 1.6516 1.4876 3.3200 1.0497 1.0278 1.6324 2.2010 0.5474 1.3008 0.9132 1.4303 1.4221 1.4166 1.0621 0.9722 0.2507 0.2472 0.3230 0.2830 0.5082 0.4902 0.3355 0.3566 0.1632 0.1684 0.1474 0.1447 N-palmitoyl-sphingadienine (d18:2/16:0)* Cer 18:2;O2/16:0 2.4190 0.5430 1.0683 0.4361 0.6651 0.5555 0.7562 1.8710 2.6809 1.7118 1.6773 1.0744 1.1991 1.1153 1.4253 0.8607 0.5282 1.1185 1.0381 0.7817 0.5979 0.5300 0.7282 1.4895 0.6019 0.5957 0.9879 1.1068 0.7890 0.5678 1.5436 0.6742 0.7782 1.5819 2.0506 0.5832 2.6438 2.5861 2.6246 3.4107 1.4912 1.2736 0.9567 1.0121 0.0984 0.1204 0.0920 0.0945 N-palmitoyl-sphinganine (d18:0/16:0) Cer 18:0;O2/16:0 13.5696 0.7597 1.1294 1.2940 14.4896 9.1122 14.0898 0.8145 0.7705 0.7875 0.7681 0.4341 2.7106 2.1922 2.5157 0.6568 0.6375 1.8693 3.0210 3.3674 1.9270 2.3515 3.1260 8.2773 0.9615 0.9228 2.6129 3.3452 0.2631 0.7930 0.4920 1.0385 2.4658 2.4402 2.1332 1.8389 0.2559 0.2353 1.1302 0.8209 0.8190 0.8561 0.3191 0.3453 0.1524 0.1701 0.1411 0.1792 N-palmitoyl-sphingosine (d18:1/16:0) Cer 18:1;O2/16:0 2.9736 0.5960 0.5897 0.6459 3.1189 2.3546 2.9415 0.7936 0.7994 0.7116 0.6603 0.4232 1.4818 1.3393 1.7088 0.9735 0.7426 1.3696 1.3316 1.5600 1.5807 1.7521 1.4215 3.0824 0.9030 0.9172 1.2766 1.6039 0.5235 0.9935 0.7816 1.0676 1.5077 1.4833 1.2042 1.0803 0.7883 0.6933 1.0065 0.9447 1.2222 1.3327 0.9396 0.8720 0.5321 0.5626 0.5485 0.4780 N-palmitoyltaurine N-Palmitoyl taurine 9.1160 0.1357 0.1357 0.1672 20.5154 7.8718 27.8502 0.9210 0.1357 0.1357 0.1357 0.1357 1 1.8100 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 1.4403 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.1357 0.3595 0.1357 0.1357 0.5139 0.5435 0.2865 1.7378 N-stearoyl-sphingadienine (d18:2/18:0)* Cer 18:2;O2/18:0 2.6174 0.3969 0.4162 0.4312 2.7159 1.8225 2.4372 0.5282 0.6152 0.5439 0.4372 0.2216 1.0031 0.9242 1.0002 0.5747 0.3749 0.9874 1.1835 1.3491 1.1669 1.3481 0.9998 3.1513 0.4856 0.4260 1.3866 1.2707 0.2318 0.9462 0.6913 1.1555 1.0737 1.0589 0.8818 0.7544 2.1474 1.8638 2.7103 2.7802 2.0699 2.2779 1.8388 1.7019 0.1096 0.1311 0.1414 0.0986 N-stearoyl-sphinganine (d18:0/18:0)* Cer 18:0;O2/18:0 34.0344 0.5524 0.8346 0.9292 37.1172 22.2543 33.8049 0.6199 0.5797 0.6186 0.5240 0.1568 2.0357 1.6567 1.0662 0.2488 0.1194 0.7638 2.6447 3.2695 2.0485 2.0928 2.1460 8.3239 0.3267 0.2926 2.2836 1.6492 0.1194 0.4358 0.1194 0.9338 1.2924 1.2630 1.2396 1.2175 0.1194 0.1194 0.9034 0.5874 0.6211 0.8266 0.1194 0.1194 0.1194 0.1194 0.1194 0.1194 N-stearoyl-sphingosine (d18:1/18:0)* Cer 18:1;O2/18:0 8.3234 0.4228 0.4470 0.4955 8.7426 6.1606 8.2230 0.5586 0.5897 0.5405 0.4922 0.2832 1.1849 0.9894 1.0135 0.4185 0.3266 0.7838 1.4318 1.6461 1.5433 1.7518 1.1686 4.3486 0.4225 0.4490 1.3908 1.2366 0.2026 0.8111 0.5509 0.9670 1.0106 1.0217 0.8003 0.6865 1.2834 1.1306 2.0068 1.8096 2.2775 2.3289 1.6325 1.6020 0.3181 0.3209 0.3132 0.2384 N-stearoyltaurine N-Stearoyl taurine 16.1437 1.2688 0.9559 1 35.0675 15.2810 49.0157 5.0871 1.2942 1.3675 1.2701 0.5194 2.9517 3.6369 0.3879 0.6461 0.1639 0.1639 0.1639 0.1639 0.1639 0.1639 0.2795 4.7722 0.1846 0.5564 0.1639 0.1639 0.3098 0.9738 0.1639 2.8602 0.1639 0.1639 0.1639 0.4059 0.1639 0.1639 0.2190 0.3775 0.8671 1.6574 0.7098 0.3992 1.7816 1.9611 0.8308 5.1282 octanoylcarnitine (C8) CAR 8:0 0.3040 0.3040 0.3040 0.3040 0.3040 0.3040 0.3040 0.3040 0.3040 0.3040 0.3040 0.3040 16.5724 21.7126 0.3040 0.3040 0.3040 0.3040 0.3040 0.3040 0.3040 0.3040 0.3040 0.3040 0.3040 0.3040 0.3040 0.3040 0.3040 0.3040 0.3040 1 0.3040 0.3040 0.3040 0.3040 3.1948 1.8281 0.5992 0.5860 0.3040 0.3040 0.3040 0.3040 0.3040 0.3040 0.3040 0.6023 oleate/vaccenate (18:1) Oleic acid 0.7897 0.4147 0.2408 0.2488 1.5478 1.0566 2.0543 1.5747 0.3015 0.4003 0.3496 0.1894 0.8682 0.8696 1.5774 3.7526 0.9107 2.2015 1.1900 1.6590 0.7546 0.8423 0.6309 3.8794 1.2734 1.8966 0.9520 1.6736 0.3086 4.9163 1.2550 5.9415 0.3534 1.1002 0.7174 0.6794 1.1525 0.7400 0.5487 0.8261 1.1479 1.7764 1.1918 0.6733 1.0480 1.1499 0.5944 1.0750 oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]* DG 18:1_20:4 0.8448 0.6069 0.4443 0.3724 0.8438 0.7098 1.4564 0.4359 0.3670 0.4247 0.3630 0.3669 0.9975 0.8291 1.3601 1.0463 1.4607 1.5822 2.2125 2.1983 0.8270 1.0025 1.1964 1.4087 1.3141 1.2907 2.0395 1.8102 0.7211 1.9701 1.2080 2.1161 1.2417 1.2472 1.0948 0.9922 0.8626 0.7515 0.6243 0.5659 1.2511 1.3273 1.0890 1.0440 0.6997 0.6606 0.6708 0.4987 oleoylcarnitine (C18:1) CAR 18:1 4.8165 0.9981 0.9390 0.8716 5.3389 2.4628 4.8643 0.4700 1.5811 0.4627 0.6832 0.7872 38.5952 49.8752 0.6632 1.6829 0.6703 0.7503 1.4159 1.7859 0.9589 1.1759 1.4505 7.2934 0.8451 0.9423 1.2956 0.4756 0.3882 5.1118 3.1321 9.5899 0.7407 0.9389 1.0019 1.3255 7.3395 5.1523 1.6107 1.7512 0.8418 1.3916 0.5832 0.5941 0.3457 0.3210 0.3091 0.3448 oleoylcholine Oleoylcholine 0.9841 0.4617 0.4617 0.4617 1.1454 0.5693 1.7841 0.4617 0.4617 0.4617 0.4617 0.4617 2.0321 1.8548 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 0.4617 1 0.6478 0.5245 0.5213 1.6918 2.1609 0.8487 0.6605 1.1393 1.2613 0.9410 1.0713 oleoyl ethanolamide Oleoyl-EA 1.0612 0.9973 0.5620 0.5325 3.0443 1.5652 3.7715 2.2492 0.6624 0.7826 0.7770 0.4633 1.2915 2.5251 1.0654 2.5962 0.3943 1.5497 0.3219 0.6370 0.4427 0.4905 0.6061 5.2168 1.0027 1.3846 0.5083 0.6630 0.2617 2.8956 0.4365 3.8146 0.3624 1.1031 0.6580 0.8061 1.2704 1.2154 0.6017 1.2560 0.7503 1.7847 1.1258 0.4703 1.5156 1.6888 0.8824 2.1105 oleoyl-linoleoyl-glycerol (18:1/18:2) [2] DG 18:1_18:2 1.0089 0.6378 0.5870 0.6276 1.0837 0.9987 1.6910 0.5314 0.5845 0.5656 0.5540 0.3914 1.5541 1.3999 0.9500 1.4450 1.8578 1.7607 1.7971 1.8902 0.7760 0.8841 1.0013 1.8695 1.7506 1.7806 1.1931 1.7298 0.7624 2.0927 1.3064 1.8682 0.8715 0.8709 0.6778 0.6566 1.1980 0.9371 0.8714 0.8963 1.8147 1.7327 1.4710 1.5809 0.5997 0.6082 0.5891 0.5256 oleoyl-oleoyl-glycerol (18:1/18:1) [2]* DG 18:1_18:1 0.5817 0.2084 0.1176 0.1176 0.6656 0.5230 1.1698 0.1945 0.2848 0.2818 0.1526 0.1176 0.8527 0.7195 1.6784 1.5897 2.0566 2.1030 2.0822 2.1516 0.9925 0.8509 0.9219 1.8685 1.8999 1.6927 0.9003 2.7392 0.3432 1.9444 1.2450 2.1164 1.0972 1.0075 0.7621 0.6536 1.2272 0.8842 0.8116 0.6957 2.1935 2.5414 1.3879 1.3818 1.0979 0.9111 1.0700 0.6117 O-methyltyrosine O-Methyltyrosine 0.6974 0.7705 0.9566 1.2004 0.6554 0.4337 0.5626 1.0343 1.2758 0.9406 1.3393 0.6557 1.4626 2.0708 0.6502 1.7555 1.1120 2.5667 2.3004 2.1919 0.7018 1.0844 0.9886 0.7834 1.4149 1.5838 1.8924 3.2100 0.7862 1.8176 1.0628 0.6650 1.1252 1.8532 0.8458 1.2108 0.4808 0.4135 0.1843 0.2715 0.6518 0.7816 0.2648 0.4413 1.0114 1.0431 0.8805 1.0838 ophthalmate Ophthalmic acid 0.9647 0.0635 0.0647 0.0635 1.0445 1.3728 2.5197 0.0635 0.0635 0.0635 0.0635 0.0635 4.7941 5.7141 0.8935 0.0715 1.1490 0.6514 0.2749 0.3985 0.0635 0.0635 0.0635 0.0635 2.7783 2.9984 0.1006 1.0739 0.5110 0.5699 0.4083 0.7161 1.0353 1.0442 1.1219 1.2254 0.0635 0.0635 0.0635 0.0635 0.0635 0.0635 0.0635 0.0635 0.0635 0.0635 0.0635 0.0635 ornithine Ornithine 4.8410 0.5224 0.7951 0.6529 5.1498 2.8189 3.2458 0.7974 1.5396 0.7661 0.5787 0.4437 5.0480 5.0638 0.9862 0.4142 0.4813 0.8847 0.5975 0.7714 0.3132 0.3590 0.4952 0.6795 0.3047 0.3142 0.4825 0.7918 0.2567 0.8982 0.6451 1.1960 1.1569 1.0138 1.1148 1.0823 3.2934 2.9909 8.5807 6.7457 6.1126 8.6935 6.0973 4.0050 1.1385 1.0667 1.1563 2.0162 orotate Orotic acid 0.2615 2.6108 3.0929 4.3548 0.4533 0.3886 0.4294 1.6281 0.2172 1.1686 5.4986 1.6026 3.3273 5.0444 3.2455 0.1122 0.4560 0.9265 0.0414 0.0737 0.9312 1.0688 0.7664 2.1804 0.5367 0.4869 0.0471 0.2424 0.7077 0.5391 0.4952 1.1874 1.6409 1.5480 3.6174 3.2539 0.3951 0.2384 0.3631 0.4849 1.8597 1.7072 0.8656 1.4880 1.9337 1.8860 1.9151 7.5306 orotidine Orotidine 7.1784 0.3600 1.3125 1 6.2194 5.8390 6.7297 1.1546 1.6188 1.7904 1.2212 0.2864 8.1443 7.6998 2.3304 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.2807 0.1749 0.4995 0.4056 0.3539 0.1402 0.1402 0.2270 0.1402 0.1402 0.1402 0.1402 0.1402 0.3026 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.1402 0.5621 0.5288 0.5753 1.1176 O-sulfo-L-tyrosine Sulfotyrosine 0.3680 1.6302 1.9723 2.2430 0.3680 0.6888 0.5853 2.5041 2.3981 2.3525 2.2796 1.0463 1.5457 0.3680 1.4649 0.3680 0.3680 0.3680 0.3680 0.3680 0.3680 0.3680 0.3680 2.7752 0.3680 0.3680 0.3680 0.3680 0.3680 0.3680 0.3680 0.6313 0.3680 0.3680 0.3680 0.3680 0.7514 0.3680 0.7116 0.7367 0.9221 1.0013 0.6679 0.3680 0.6631 0.7566 0.7435 1 o-Tyrosine o-Tyrosine 0.3451 1.0348 0.7052 0.6119 0.3451 0.5122 0.6158 0.7116 1 0.8294 0.7284 0.6556 1.6599 1.8886 2.1843 0.3451 1.1479 1.7748 0.5462 0.3451 1.4214 1.7267 1.0188 2.2463 1.3718 1.4089 0.3451 1.2369 0.8095 0.3451 0.3451 0.7467 1.7670 1.6001 1.4073 1.2395 0.3668 0.3451 0.3506 0.3451 0.3451 0.3451 0.5118 0.3451 1.0776 0.9037 0.8235 0.4000 palmitate (16:0) Palmitic acid 0.7705 0.7709 0.5907 0.5095 1.5774 1.0242 1.9751 2.4688 0.6533 0.7108 0.6767 0.4717 0.9909 0.9445 1.0916 2.3770 0.5348 1.4781 0.8948 1.1770 0.5497 0.5713 0.6362 3.0400 0.7933 1.3513 1.1672 1.0170 0.5033 3.5233 0.9401 4.4046 0.3779 1.0697 0.9352 0.9601 1.1725 0.8749 0.7480 1.1124 1.5195 2.1511 1.7988 1.0091 1.3538 1.3876 0.7715 1.5567 palmitoleate (16:1n7) Palmitoleic acid 0.5551 0.3945 0.2537 0.2449 1.0884 0.7386 1.5813 2.1439 0.4692 0.6132 0.5413 0.2121 0.8059 0.7758 1.1145 2.7298 0.7036 1.4760 0.9985 1.4059 0.4405 0.4752 0.6652 4.7472 1.0313 1.5932 0.6742 1.0015 0.3366 5.3603 1.0074 8.1664 0.2991 0.7072 0.5268 0.5326 1.6749 1.2319 0.9300 1.1375 2.0377 3.4044 1.8820 1.1376 1.5789 1.6071 0.9315 1.1170 palmitoleoylcarnitine (C16:1)* CAR 16:1 2.3942 0.5843 1.1121 0.9472 1.7525 1.3119 1.7172 0.6821 1.9605 0.8261 0.8672 0.7117 64.8358 90.8882 0.4969 0.8963 0.5198 0.3959 0.7619 1.0057 0.5065 0.6055 1.0195 3.5393 0.2829 0.6845 0.6202 0.2829 0.2829 2.5020 1.7530 6.4540 0.9943 0.9305 1.2871 2.0134 15.0110 8.7748 2.8516 2.8970 1.8434 2.5182 0.9163 1.0093 0.4744 0.3979 0.3307 0.3769 palmitoleoyl ethanolamide* Palmitoleoyl-EA 0.4203 0.4203 0.4203 0.4203 0.4762 0.5393 0.4203 0.7450 0.6453 0.4203 0.4203 0.4203 1.4787 1.6005 1.6421 0.4203 0.4203 0.4203 0.4203 0.4203 0.4203 0.4203 0.6113 0.7758 0.4203 0.4203 0.4203 0.4203 0.4203 0.4203 0.4203 0.4203 0.4203 0.6395 0.4642 0.4203 2.2708 2.1301 1 0.9575 1.5189 1.4625 0.4203 0.7144 5.4521 4.4579 5.5400 2.8357 palmitoleoyl-oleoyl-glycerol (16:1/18:1) [2]* DG 16:1_18:1 0.2896 0.4300 0.2365 0.2365 0.3390 0.2365 0.6193 0.4533 0.4690 0.4570 0.6337 0.2365 0.8838 0.8905 1.0689 0.9240 0.2365 1.2606 0.2365 1.2092 0.2672 0.2365 0.8491 1.4445 1.1501 1.3231 0.5499 1.1206 0.2365 1.4774 0.7575 1.1977 0.4296 0.4888 0.2827 0.3427 5.8974 3.8047 2.5128 1.0534 7.4386 8.9910 3.8638 4.1633 1.9430 2.1818 2.0840 1 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]* DG 16:0_20:4 0.7904 0.3041 0.3041 0.9298 1.2002 1.5712 2.2104 0.3041 0.3041 0.7288 0.3041 0.7099 0.3041 0.8090 0.4043 1.3163 1 1.0701 0.3041 0.3041 0.3041 0.3041 0.3041 0.3041 0.3041 0.3041 0.3041 1.6531 0.3041 0.3041 0.6265 0.3041 0.6367 0.3041 1.2421 0.3041 0.6132 0.3041 0.7806 0.3041 2.1898 2.5162 2.5582 1.9318 1.2399 1.5072 0.8898 0.9199 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]* DG 16:0_20:4 0.8730 0.8737 0.5970 0.7103 0.9062 0.8347 2.0163 0.7241 0.7093 0.7334 0.6725 0.5786 1.2853 1.1103 1.2500 0.6897 0.8960 1.2092 1.1206 1.1958 0.4059 0.4228 0.7141 1.1137 0.7195 0.7076 1.7742 1.3595 0.3108 0.7559 0.4803 0.9879 1.4614 1.2843 1.3779 1.1977 1.1540 0.9610 1.0121 0.8116 2.5585 2.7143 2.6128 2.4755 1.5505 1.6253 1.4594 1.3925 palmitoylcarnitine (C16) CAR 16:0 2.9295 0.9978 1.8582 1.4059 3.0401 1.0686 1.9183 1.2925 3.3004 1.8298 1.5607 0.7891 24.1706 25.1355 0.6783 0.5626 0.3935 0.3938 0.6604 0.8390 0.8879 1.0378 1.1453 3.9325 0.4888 0.5122 0.9564 0.3789 0.3471 2.1220 1.5247 5.3691 0.5674 0.6577 0.8097 0.9010 2.7734 1.9282 1.0022 1.1851 1.0039 1.4123 0.6243 0.7026 0.4610 0.4317 0.4067 0.6284 palmitoylcholine Palmitoylcholine 1.2849 0.5673 0.5673 0.5673 1.2633 0.5855 1.3637 0.6828 0.6786 1.0091 0.7910 0.5673 2.5598 2.3804 0.5673 0.5673 0.5673 0.5673 0.5673 0.5673 0.5673 0.5673 0.5673 0.9982 0.5673 0.5673 0.5673 0.5673 0.5673 0.5673 0.5673 0.5673 0.5673 0.5673 0.5673 0.5673 1.0609 0.9672 0.7924 0.7089 1.6337 1.8295 0.9419 1.0018 0.5673 0.8647 0.5673 1.8710 palmitoyl-dihomo-linolenoyl-glycerol (16:0/20:3n3 or 6) [2]* 0.4611 0.3062 0.5179 0.5301 0.3714 0.2898 0.5076 0.2534 0.2870 0.3752 0.3855 0.2212 1.3469 0.9987 1.4384 0.8081 1.0852 1.5742 1.7117 1.8510 0.5993 0.6610 0.7669 1.7568 1.2078 1.1927 2.3665 1.6929 0.5804 1.8087 0.9785 1.9265 1.2468 1.2075 1.2869 0.9879 0.2667 0.2090 0.2090 0.2090 1.6802 1.7482 1.3530 1.4390 0.9694 1.1317 1.0504 1.0013 palmitoyl dihydrosphingomyelin (d18:0/16:0)* SM 18:0;O2/16:0 1.7396 1.0470 1.5727 1.6448 1.8389 1.0583 1.7814 1.1326 1.1406 1.2480 1.2721 0.7728 1.0904 0.9960 1.4255 0.4011 0.7627 1.3016 1.1295 1.3038 0.4444 0.4689 1.0857 1.4036 0.8498 0.8750 1.0040 1.4051 0.5187 0.5360 0.4104 0.6243 1.3955 1.4380 1.4181 1.3859 0.1969 0.1843 0.4131 0.3688 0.6269 0.6789 0.4166 0.4222 0.2494 0.2486 0.2426 0.2888 palmitoyl ethanolamide Palmitoyl-EA 1.1546 0.9356 0.8893 0.9859 1.1942 1.0001 1.4864 1.3492 1.3902 1.2623 1.3320 0.6532 2.2749 2.0205 1.5193 0.5228 0.6502 0.8427 0.4239 0.5792 0.7527 0.9404 0.9560 1.2842 0.7230 0.6720 1.0493 0.6361 0.3361 0.5685 0.5825 0.6898 0.9999 1.0329 0.9033 0.8871 2.0919 1.6355 1.0950 1.0828 1.4462 1.4743 0.9154 0.9972 3.7891 3.4265 3.9246 3.9250 palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]* DG 16:0_18:2 0.9050 0.7056 0.8160 0.7480 0.7365 0.4621 2.1146 0.5698 0.6229 0.9197 0.7460 0.3131 2.1671 1.8477 1.5846 0.8291 0.5427 1.4907 2.9133 1.8549 0.4151 0.7181 1.1502 2.3342 1.6511 1.6717 1.1742 1.5598 0.2624 2.1163 1 2.3588 0.9864 0.7596 1.2263 1.1078 0.2624 0.9691 1.0943 0.8345 2.5941 2.9532 2.6904 2.9551 0.9971 0.8609 1.0122 0.8767 palmitoyl-oleoyl-glycerol (16:0/18:1) [2]* DG 16:0_18:1 0.4991 0.3581 0.2912 0.3346 0.5904 0.4663 1.2312 0.4679 0.3756 0.4505 0.4675 0.1176 1.1404 0.8451 1.3474 0.5767 0.9352 1.1037 1.1502 1.1605 0.4971 0.5889 0.6764 1.5342 0.9027 0.7758 0.7538 1.4643 0.2240 1.1246 0.6180 1.3482 1.0826 1.0568 0.9432 0.7957 1.4711 1.0884 1.5602 1.2462 4.3479 4.7065 2.9777 3.2164 1.5973 1.5468 1.6008 1.3288 palmitoyl sphingomyelin (d18:1/16:0) SM 18:1;O2/16:0 1.1414 0.9524 0.9469 0.9949 1.1877 0.9198 1.1412 1.0278 1.0132 1.0349 1.0293 0.8052 0.9164 0.8633 1.4406 0.8172 1.0666 1.1744 1.0651 1.0734 1.2214 1.2605 1.0718 1.2011 0.9863 1.0051 0.9566 1.1769 0.7604 1.0630 0.9019 1.0151 1.2559 1.2780 1.0985 1.0502 0.3052 0.2889 0.3500 0.3407 0.6091 0.6213 0.5597 0.5661 0.7074 0.7225 0.7086 0.7120 palmitoyl-sphingosine-phosphoethanolamine (d18:1/16:0) EPC 18:1;O2/16:0 1.1742 0.8300 0.8620 0.9684 1.3673 0.7516 0.9908 1.2407 1.1781 1.1203 1.1064 0.6497 1.0407 1.1784 1.5659 0.8276 1.0622 1.1870 0.7315 0.7466 1.4799 1.4244 1 1.5298 1.1655 1.0654 0.5514 0.8233 0.6732 1.0902 0.7991 1.0130 1.4475 1.5018 1.3410 1.1990 0.1364 0.1364 0.1364 0.1364 0.3351 0.3218 0.3461 0.3998 0.6162 0.4461 0.5350 0.5961 pantetheine Pantetheine 5.7623 2.6096 2.1100 2.5519 5.4999 4.2325 5.3799 2.1335 2.7731 1.8113 1.8864 1.9802 4.0178 4.0462 1.1901 0.5479 0.7172 0.8632 1.1848 0.9594 0.8116 0.7459 1.0099 1.8613 0.7320 0.7379 0.3829 0.6220 0.8043 0.9026 0.8746 1.7919 0.5843 0.6624 0.7038 0.7623 0.5217 0.5920 0.9901 1.2637 4.5888 6.0769 3.3357 4.1315 0.2725 0.3603 0.2594 0.3733 pantothenate (Vitamin B5) Pantothenic acid 0.9585 1.0273 3.9003 2.7776 0.9064 0.7794 1.2405 1.7494 3.3908 3.2437 2.2394 0.7456 9.6145 11.4674 0.8861 0.1334 0.3043 0.4849 0.2014 0.2789 0.3764 0.4404 0.2287 0.4949 0.4885 0.5226 0.2328 0.7291 0.2453 0.2609 0.2011 0.4484 0.9281 0.9909 1.2288 1.2294 1.1583 1.0091 1.1173 1.2300 3.7562 4.1979 2.8531 3.2335 2.1438 2.4275 1.8694 3.9632 p-cresol sulfate p-Cresol sulfate 0.6722 0.8493 0.9423 0.9934 0.7084 0.7334 1.0399 0.7053 1.0066 0.6952 0.8604 0.5684 6.3994 6.2668 4.1311 3.9136 1.1309 2.0418 1.1975 1.7523 2.8289 3.0685 0.9270 1.6864 1.5927 1.7221 1.9801 4.6462 0.7510 1.2164 1.0349 1.4916 1.5330 1.6480 1.1101 1.1586 0.6967 0.7069 0.5594 0.5025 0.6558 0.6586 0.5288 0.6179 0.5323 0.6348 0.5434 0.8315 penicillin G Penicillin G 0.0685 2.4725 1.5588 2.2548 0.0685 0.0685 0.0685 2.0851 2.5867 2.9043 3.1601 1.6134 7.5764 8.3092 1.0315 0.0685 0.4167 0.4355 0.0710 0.1772 0.2279 0.3282 1.1057 4.0569 1.1499 1.3100 2.7353 0.0950 0.9685 0.2596 0.1541 0.3168 0.2090 0.2363 0.1619 0.2060 0.6154 0.6695 0.3032 0.3524 1.2001 1.6456 0.5348 0.5981 1.5763 1.7015 1.2461 2.3322 pentadecanoate (15:0) Pentadecylic acid 1.1214 1.0023 0.8430 0.7282 2.2820 1.6011 2.8255 3.0728 0.7448 0.8115 0.8212 0.7097 1.1575 1.2584 0.9807 3.5169 0.7798 1.7290 1.0822 1.4899 0.7048 0.7465 0.7441 4.0447 0.9816 1.6023 1.3046 1.1397 0.7244 5.0157 1.3061 6.6451 0.4585 1.2485 0.9374 0.9902 0.8842 0.7098 0.6513 0.9977 0.8612 1.5294 1.4158 0.8389 0.8835 1.0113 0.5240 1.1178 phenol red Phenolsulfonphthalein 1.3459 1.0179 1.0096 1.2698 1.4262 1.2110 1.4014 1.1348 1.1222 0.9904 1.3122 0.5063 2.1080 1.9940 1.2434 0.3181 0.6572 0.8670 0.6774 1.2295 1.1488 1.2937 0.4043 1.7113 0.3162 0.3596 0.8003 0.4009 0.1317 0.8225 0.5878 1.1162 1.1396 1.1240 0.9466 0.8617 0.4353 0.4783 0.4877 0.4331 0.8983 0.9289 0.6299 0.7252 1.3795 1.4735 1.4423 1.9967 phenol sulfate Phenyl hydrogen sulfate 1.2953 0.9822 0.8727 0.8911 1.4579 1.7282 2.9080 1.2548 1.7749 1.3266 1.2369 0.7016 18.8989 17.7438 1.0673 1.1305 0.5302 2.2004 0.6316 1.0178 1.5978 1.6825 0.6535 2.3323 0.9652 0.9777 2.6762 6.1648 1.2013 0.5075 0.4182 0.7086 2.0804 2.0886 1.8352 1.7274 0.1610 0.1821 0.1088 0.1186 0.1377 0.1667 0.1343 0.1499 0.0770 0.0800 0.0804 0.1164 phenylacetylglycine Phenylacetylglycine 3.6139 0.2895 1.6186 1.4024 3.0857 3.2035 3.8561 0.7783 1.2510 1.4255 1.1672 0.3671 19.4812 17.0291 1.1055 0.2473 1.0317 0.9683 0.5066 0.9082 1.2701 1.3622 0.2267 0.8194 0.5268 0.5927 1.6251 0.6075 0.2500 0.8507 0.6410 1.5792 2.2589 2.2582 2.6069 2.4298 1.0444 0.9173 0.6932 0.6927 0.7793 0.8511 1.2219 1.1720 0.7902 0.8700 0.8406 0.8224 phenylalanine Phenylalanine 0.6474 0.9384 0.8000 0.8925 0.7379 0.5177 0.6356 0.8807 0.7598 0.8345 0.8056 0.6648 1.9182 1.8692 2.2888 0.9658 1.1843 1.6780 0.9494 1.2161 1.1841 1.3264 1.0342 1.6134 1.3379 1.2617 1.1780 1.4238 0.7611 1.2518 1.0758 1.3134 1.5062 1.4250 1.3633 1.2556 0.2405 0.2133 0.3744 0.3624 0.8210 0.7612 0.4795 0.4683 1.2281 1.2469 1.2248 0.8538 phenylalanylalanine Phe-Ala 0.3073 2.1725 0.2560 0.6972 0.8995 0.4468 0.4720 0.3344 0.2547 0.1884 0.3193 1.3136 0.2794 0.4175 2.2244 3.1529 4.1365 3.4478 6.1656 4.1665 6.0750 6.7009 7.8435 1.4084 6.2269 6.3887 3.2060 2.6430 3.3830 2.9918 1.6365 1.1005 4.0979 4.4351 4.2125 3.9798 0.0997 0.1047 0.1894 0.1356 0.2019 0.1803 0.3789 0.4544 0.5799 0.7760 0.4254 0.2479 phenylalanylglycine Phe-Gly 0.3051 1.8389 0.4070 0.9074 0.7527 0.3627 0.4690 0.4328 0.3016 0.2519 0.3788 1.1712 0.6232 0.7364 3.0104 1.8148 2.9498 2.8939 2.1987 2.0604 2.7972 3.0243 3.7107 1.5549 3.6767 3.8074 1.4675 1.9908 1.9923 2.5342 1.5025 1.0926 2.9973 2.9811 2.7881 2.6872 0.0490 0.0617 0.1335 0.1257 0.3244 0.2115 0.2840 0.3224 0.7747 0.8692 0.7081 0.2593 phenyllactate (PLA) Phenyllactic acid 0.0752 0.0752 0.0752 0.0752 0.0752 0.0987 0.0752 0.0752 0.0752 0.1539 0.0752 0.0752 1.8741 2.1080 1.1672 0.1850 0.3466 0.4260 0.0752 0.2147 0.3465 0.4477 0.2496 0.5148 0.3180 0.3707 0.0752 0.6120 0.0752 0.1924 0.2559 0.5456 0.9781 1.0219 1.1053 1.2502 2.7513 2.3368 1.3362 1.6923 4.5755 4.2078 1.3777 1.8167 9.6600 12.9049 10.2155 21.6917 phenylpyruvate Phenylpyruvic acid 0.0987 0.0987 0.1171 0.1199 0.0987 0.0987 0.0987 0.2082 0.1962 0.1804 0.1427 0.0987 2.8034 2.2409 5.8625 0.7887 1.8138 2.3247 0.3447 0.4058 1.8121 2.7071 1.2360 1.0548 2.6635 2.9347 2.6535 4.7652 0.3052 0.8522 0.7387 1.3205 1.4254 1.2392 1.3338 0.8264 0.4333 0.2762 0.4323 0.3333 1 0.6850 0.3300 0.2959 15.7515 12.8231 19.0921 7.6470 phosphate Phosphoric acid 1.1636 1.0036 0.9472 1.0198 1.1516 0.8445 1.1104 0.9600 0.8749 0.9964 0.9733 0.7356 1.1658 1.1396 1.5376 0.6814 1.1671 1.1632 0.9711 0.8655 0.9757 1.0987 1.0359 1.2355 1.2171 1.2671 0.8284 1.0764 0.7631 1.0350 0.7561 0.8385 0.9877 0.8925 0.8842 0.8139 0.7016 0.8708 0.8774 0.8060 1.3235 1.2704 0.9551 1.0087 1.1033 1.2137 1.1626 1.0805 phosphocholine Choline phosphate 2.1228 0.7801 1.9669 1.5835 2.0837 1.4884 2.0087 3.3006 4.2102 4.4187 3.4207 0.6729 5.7770 5.5452 1.2273 0.3375 0.3567 0.7748 0.3316 0.4070 0.4036 0.4297 0.4415 0.6669 0.6584 0.6625 0.4761 0.9891 0.6381 0.3422 0.3129 0.5454 0.8579 0.8048 0.7937 0.7270 1.4875 1.2630 1.8091 2.2817 3.3371 3.2722 2.0866 2.2194 1.0109 1.0599 0.9548 2.1946 phosphoenolpyruvate (PEP) Phosphoenolpyruvic acid 6.7435 4.5656 3.8111 3.2035 5.5925 3.2592 5.8469 5.6817 9.1125 5.9856 3.6540 3.4223 0.0096 0.0096 0.7005 0.0611 0.2340 0.3623 0.0096 0.0638 0.6979 0.7785 0.2663 2.2635 0.2402 0.2525 0.0283 0.1566 0.1423 0.1753 0.1868 0.5115 0.7667 0.7803 0.9151 0.8499 1.5134 1.3641 1.0849 1.3829 2.4648 2.4434 0.7059 0.8209 2.9613 3.0523 3.1024 5.2669 phosphoethanolamine (PE) Phosphoethanolamine 0.8859 0.4245 0.2881 0.1984 0.8114 0.3215 0.2638 0.3213 0.4620 0.2510 0.1915 0.3378 42.1640 40.7038 3.4369 1.5007 2.8360 2.3056 0.9533 1.2856 1.0229 1.0905 1.3019 1.4510 4.4300 4.5465 1.1077 3.8689 0.8980 3.5744 3.1231 5.3181 0.9771 0.8883 1.2386 1.0977 0.2962 0.2912 0.2108 0.2078 0.0856 0.0749 0.0869 0.0622 1.4272 1.4199 1.3914 3.4593 phosphopantetheine Pantetheine 4'-phosphate 4.9439 4.0488 0.9736 0.9234 5.8125 2.7685 4.6172 1.8167 2.6213 1.2926 0.7176 2.1043 1.1564 0.8403 5.7706 0.1173 1.0479 1.4542 0.2129 0.2479 0.8846 1.0480 0.9907 2.3277 1.0093 1.2012 0.2062 0.7367 0.5682 1.1738 0.7688 2.6236 0.4743 0.5222 0.5493 0.4886 0.3180 0.3220 0.9141 0.9522 3.1477 3.6845 2.0793 2.1065 0.5855 0.8490 0.5456 1.9735 phytosphingosine Phytosphingosine 0.5592 0.7821 0.7329 0.9400 0.6008 0.4910 0.7079 0.9550 0.9640 1.1711 1.0508 0.5100 3.3889 2.9937 3.0585 0.6653 1.1045 1.1392 0.5416 0.5675 1.7807 1.7877 1.5388 2.6417 1.1368 1.1826 0.4723 0.9849 0.7785 0.9362 0.5431 1.0151 1.4461 1.5088 1.1781 1.0455 0.5507 0.4914 0.6017 0.5718 1.8621 1.9485 0.8629 0.9818 2.0423 2.1972 1.9024 2.0526 pipecolate Pipecolic acid 0.2656 1.4949 1.2453 1.3193 0.8818 0.6877 0.4367 2.2482 2.4727 2.4421 1.5717 1.3457 4.0941 3.1534 1.1351 0.2656 0.2656 0.6900 0.2656 0.2656 0.7888 0.5027 0.2656 1.8070 0.2656 0.2656 0.2656 0.2656 0.2656 0.2656 0.3516 1.4552 1 0.8719 0.9158 0.7473 0.5803 0.9549 0.5424 0.7093 0.6691 1.2126 0.3521 0.7135 1.8240 1.4598 1.5446 2.3985 proline Proline 0.7646 1.1161 0.8732 0.8217 0.8469 0.6248 0.7177 0.8739 0.8780 0.8538 0.7260 0.8099 4.6392 4.3242 2.5155 0.6926 1.1433 1.3375 0.7337 1.0020 1.4128 1.5364 1.2879 1.8779 1.1681 1.1375 0.9980 1.1132 0.6672 0.9179 1.0287 1.5304 1.3408 1.1935 1.2849 1.1514 0.6750 0.5534 0.5296 0.5414 0.6704 0.6408 0.4922 0.5518 1.1757 1.1979 1.1737 1.0974 prolylglycine Pro-Gly 0.8706 1.1090 0.8774 1.2747 1.4808 0.5545 0.6202 1.1062 0.6737 0.9466 1.1260 0.6890 1.2344 1.5430 2.0816 0.9278 0.9569 1.5009 1.1326 1.4078 1.0272 1.1120 0.8809 1.4007 1.3315 1.2982 1.0074 1.1636 0.5547 0.6857 0.5649 0.9312 1.0455 1 0.9129 0.9821 0.1469 0.1469 0.1469 0.1469 0.6997 0.8073 0.4730 0.5163 1.3928 1.4206 1.1923 0.8532 propionylcarnitine (C3) CAR 3:0 1.0079 0.6909 1.5617 1.3688 0.9281 0.7173 0.7766 0.3923 0.5566 0.5632 0.5775 0.5352 9.2780 12.9095 1.7969 0.6971 1.2040 0.9151 0.8022 0.9921 0.4042 0.4679 1.1052 1.0403 1.4631 1.7025 0.5512 0.6423 0.5873 1.8610 1.4169 2.8435 1.2349 1.2381 1.2874 1.4421 0.9703 0.7916 0.7015 0.8222 1.3028 1.3977 0.6855 0.8298 1.7150 1.8581 1.5750 2.5302 pseudouridine Pseudouridine 4.5819 1.6065 2.0944 1.1390 5.0525 1.7251 3.6378 2.6545 7.7033 5.3350 2.6270 1.8573 2.0230 2.7436 1.7351 0.4467 0.4030 0.7437 0.5989 0.7061 0.9565 1.0048 0.5748 1.4681 0.9012 0.7649 0.3535 0.6914 0.2104 0.3651 0.2816 0.5409 1.4668 1.3581 1.3328 1.0748 0.6957 0.6340 0.3355 0.4772 3.1167 2.1926 0.3822 0.6802 1.1208 0.9325 0.9691 0.9952 pterin Pterin 0.5534 0.5534 0.5534 0.6301 0.5534 0.5534 0.5534 1.1941 0.9620 1.1176 1.0991 0.5534 3.7273 3.8340 1.0543 0.5534 0.5534 0.5534 0.5534 0.5534 0.8750 0.8712 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.5534 0.6382 0.6122 0.5534 1.0380 0.5534 0.5534 0.5534 0.5534 putrescine Putrescine 1.9119 0.2098 0.5369 0.5486 1.5969 0.3416 0.3168 0.7931 1.2766 1.2138 1.0183 0.2098 6.3847 6.1689 1 0.2098 0.2098 0.2098 0.2098 0.2098 0.2098 0.2098 0.2098 0.4618 0.2098 0.2098 0.2098 0.2098 0.2098 0.2098 0.2098 0.2098 0.2098 0.2098 0.2098 0.2098 0.4036 0.4712 0.2725 0.3349 0.2098 0.2098 0.2098 0.2098 5.2459 6.2255 5.5492 2.4656 pyridoxal Pyridoxal 0.5883 0.6034 1.2413 1.3990 0.5589 0.6519 0.5832 1.0447 0.8761 1.4671 1.3031 0.4004 4.4842 4.7761 1.3676 0.5132 0.9663 1.0949 0.7536 0.9837 1.1584 1.4367 0.7987 1.1094 0.9453 1.0836 0.4297 1.0163 0.4511 0.8698 0.5830 1.3042 1.0316 1.1027 0.9128 0.9307 0.9274 0.6641 0.9298 0.9300 1.6888 2.1310 1.4000 1.4827 1.2085 1.3131 0.9739 1.2101 pyridoxal phosphate Pyridoxal 5'-phosphate 0.8933 1.1549 1.0884 0.9557 1.1383 1.0193 0.9611 2.1425 2.8419 2.1808 2.1812 0.7415 0.2304 1.1956 0.2304 0.2304 0.2304 0.2304 0.2304 0.2304 0.2304 0.4172 0.2304 0.2304 0.2304 0.2304 0.2304 0.2304 0.2304 0.2304 0.2304 0.2304 0.2304 0.3660 0.2304 0.2304 0.6258 0.2304 0.5916 0.2304 0.2304 0.2304 0.2304 0.2304 0.9698 1.2628 0.9807 1.1610 pyridoxamine Pyridoxamine 0.6687 0.4250 1.3529 1.1786 0.6100 0.4254 0.5889 1.0162 1.0201 1.5963 1.2191 0.2734 3.6046 3.3580 1.2917 0.3156 0.8108 0.9838 0.4280 0.5640 1.0955 1.0206 0.6000 0.8111 0.7672 0.7601 0.2657 0.8728 0.3482 0.9178 0.7522 1.1398 0.5309 0.5573 0.5457 0.6047 1.0666 1.2248 1.3051 1.1744 2.9844 3.8671 1.9066 2.2038 1.3681 1.4688 1.1597 1.3736 pyridoxamine phosphate Pyridoxamine 5'-phosphate 1.5743 0.5039 0.6754 0.9324 1.2458 1.3783 1.3584 1.2056 1.1813 1.2207 1.1933 0.3324 0.9687 1.7859 1.3886 0.5213 0.6622 0.8417 0.3563 0.2917 1.0201 1.2824 0.5135 0.8917 0.4408 0.6054 0.6742 1.0041 0.3489 0.4310 0.3050 0.4603 0.9289 1.0740 0.7769 0.7852 1.1559 0.9959 1.0469 1.0817 1.6854 1.7355 1.3448 1.4306 0.8928 1.2481 1.0378 1.3977 pyridoxate 4-Pyridoxic acid 0.6821 0.4831 0.4831 0.9073 0.4831 0.4831 0.4831 0.7676 0.8956 0.4831 1.1354 0.4831 3.5061 2.5737 6.1706 0.4831 1.6858 2.8735 0.6131 0.4831 2.3912 2.6985 0.4831 0.4831 0.4831 0.8110 0.7663 2.5655 0.4831 0.4831 0.4831 0.7099 2.1771 1.9120 1.3041 1.4165 0.4831 0.4831 0.4831 0.4831 0.4831 0.8677 0.5477 0.4831 0.8291 0.7579 0.7924 1.0927 pyridoxine (Vitamin B6) Pyridoxine 0.2948 1.1791 1.4339 1.8278 0.2948 0.2948 0.2948 1.0258 1.4025 1.2150 1.5551 0.6212 5.4846 5.7152 1.2002 0.2948 0.9662 0.9843 0.5685 1.2402 0.6335 0.8122 0.2948 0.8028 0.4403 0.5321 1.1645 0.4236 0.2948 1 0.6015 1.1937 1.7682 1.7521 2.0899 1.8905 0.2948 0.2948 0.4220 0.2962 0.2948 0.5017 0.4408 0.4036 0.9786 1.1670 0.9305 2.1832 pyroglutamine* Pyroglutamine 1.1307 0.4865 1.2178 0.9336 1.1392 0.9486 0.9912 0.6743 0.9608 0.8418 0.6986 0.3639 8.4227 7.7106 1.1102 0.6188 1.0088 1.2923 0.7231 1.0681 0.9052 0.9859 0.5480 0.6502 0.9706 1.0651 0.5679 1.4725 0.4994 1.1178 0.7764 1.3719 1.3814 1.6090 1.6847 1.9179 1.0715 1.0383 0.9183 1.1788 0.6422 0.8276 0.7390 0.8460 3.7496 3.9688 3.5094 3.6268 pyruvate Pyruvic acid 0.8998 1.5470 2.1864 1.6834 0.7958 0.6105 0.9485 1.9548 2.3271 2.8573 1.9952 1.2775 8.0318 6.7317 0.9091 0.0855 0.3593 0.3853 0.0855 0.3386 0.5656 1.1456 0.4635 2.1291 0.5396 0.7335 0.1351 0.2738 0.1811 0.2892 0.2788 0.6917 0.5414 0.7148 0.6304 0.5956 1.1437 1 1.3318 1.9455 1.9409 5.8341 1.3720 1.5476 3.0337 2.6736 2.9469 3.1268 (R)-3-hydroxybutyrylcarnitine CAR 4:0;3OH 1.7606 0.4185 0.7487 0.8032 1.6156 1.3281 1.5870 1.0172 0.8145 0.8242 0.6546 0.5333 4.1450 4.4441 1.3007 0.8205 0.9598 0.8054 0.6988 0.6263 1.2489 0.8769 0.8883 0.9828 0.8785 0.6176 0.8578 1.2906 0.3649 1.2614 1.4109 1.2304 0.7861 0.5527 0.9316 0.7710 1.6451 1.2197 1.2450 1.1729 1.2139 1.1652 1.0815 0.9269 2.2585 2.3346 2.2275 2.8458 retinol (Vitamin A) Retinol 0.7873 0.6929 1.0519 0.8169 0.7655 0.5791 0.8495 0.5049 0.5342 0.9963 0.7613 0.5483 2.2591 1.6483 0.8557 0.7060 0.5410 0.7510 5.1382 4.1472 0.5049 0.5049 2.2415 3.0312 1.0067 1.1111 3.8884 0.6066 2.2193 1.6886 1.0037 2.4608 0.5049 0.5049 0.5049 0.5049 1.1893 0.9554 1.2393 1.1440 1.9539 1.6235 1.4206 1.5896 0.6725 0.5900 0.7272 0.7309 ribitol Ribitol 0.7341 0.1261 0.5515 0.3314 0.4235 0.4320 0.4623 0.3241 0.3606 0.4436 0.2245 0.1555 23.5817 17.4832 3.4572 1.2447 0.4083 0.4991 0.1962 0.3302 4.0352 4.3224 1.6587 1.7177 2.8465 2.3379 0.9300 3.7299 0.2248 0.7175 0.4338 0.8962 4.7329 4.7128 5.4941 4.5481 2.5882 2.3493 1.8510 1.5011 1.0291 0.9709 0.7074 0.7215 1.7493 1.6833 1.7040 1.4444 riboflavin (Vitamin B2) Riboflavin 1.4370 1.1099 0.5795 0.5026 1.9273 0.7532 1.3985 0.4689 0.6453 0.5653 0.4815 0.7974 0.9516 0.8010 3.6433 1.0938 1.9184 2.6101 1.0302 1.1382 1.0041 1.1803 1.4867 2.3067 1.3564 1.3324 1.8098 2.2195 0.6202 1.5199 1.0741 1.6388 1.3052 1.0164 0.9254 0.6998 0.5118 0.5200 0.5918 0.6486 0.9959 1.3843 0.6294 0.6255 0.7130 0.7820 0.7888 0.8749 ribonate Ribonic acid 0.4716 0.5424 1.2696 1.0922 0.5417 0.3821 0.4750 0.9436 1.6430 1.6297 1.0913 0.3427 19.1962 17.5439 1.3251 0.3779 0.9099 0.6016 0.4349 0.4856 0.7785 0.8554 0.8836 2.0186 1.1871 1.0976 0.4461 0.3675 0.4704 1.3127 1.0564 1.6222 0.8606 1.1641 1.4742 1.3602 0.5158 0.5757 0.4080 0.6943 1.6159 1.5770 1.0649 0.9210 1.2341 1.3071 1.3903 2.4393 ribose Ribose 2.6726 0.9833 2.3635 1.8854 1.6705 0.8852 1.2165 2.9756 2.0688 3.1789 1.6856 0.7110 7.9399 3.3584 2.9152 0.2537 1.6524 0.9206 0.5188 0.7243 0.5136 0.6665 1.0864 2.0741 1.7164 1.3933 0.2988 0.7521 0.4518 0.6191 0.6812 1.0821 1.0223 0.9364 1.0635 0.7429 0.4059 0.2644 0.8630 0.6751 3.1278 3.2365 1.0438 1.0167 0.4492 0.3362 0.5370 0.3939 ribose 1-phosphate Ribose 1-phosphate 2.2162 1.3209 5.1669 4.6073 1.2240 0.4643 0.9509 2.7169 3.3114 4.2209 3.8351 0.6436 10.8573 14.5319 0.5204 0.1242 0.8006 0.1838 0.8996 0.7855 0.6300 0.2049 1.2108 1.3014 0.3393 0.4360 0.1242 0.1242 0.1476 0.9441 0.4213 0.6870 0.2779 0.1899 0.2549 0.2182 0.5023 1.0887 1.8312 1.0491 1.7076 0.2274 1.9223 2.1576 1.7836 2.6916 2.3429 4.7413 ribulonate/xylulonate/lyxonate* 0.6934 0.3240 0.3240 0.9723 0.7142 0.3240 0.7003 0.7165 1.0357 0.7675 1.0116 0.3240 6.7875 6.3662 1.3590 0.3240 0.3240 0.3240 0.3240 0.3240 0.3240 0.5908 0.3240 0.3240 0.3240 0.3240 0.3240 0.3240 0.3240 0.3240 0.3240 0.5128 0.8842 0.7735 1 1.0769 0.4808 0.3240 0.3240 0.3240 1.1115 1.3873 0.3240 0.3240 1.4524 1.4221 1.6697 1.5140 ribulose/xylulose 5-phosphate Ribulose 5-phosphate 3.5357 1.9725 11.7544 5.2904 0.7745 0.3210 0.2637 9.1381 10.2527 12.3661 6.8461 1.7922 56.1154 24.3623 2.4266 0.1000 1.1508 0.1000 0.4405 0.1000 0.6062 0.1000 0.8346 1.4224 0.8389 0.7963 0.1000 0.2436 0.1000 0.4084 0.6151 0.9869 1.5667 0.6501 2.4247 0.7742 0.1842 0.1000 0.1000 0.1000 1.0131 0.1000 0.1000 0.1000 0.1000 0.1000 0.1000 0.2385 S-(1_2-dicarboxyethyl)glutathione 0.5611 0.2690 1.9587 1.0605 0.2741 0.2690 0.2704 0.7103 0.9948 1.3816 1.0052 0.2690 18.3467 15.3175 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 0.2690 S-1-pyrroline-5-carboxylate 1-Pyrroline-5-carboxylic acid 0.3445 1.0209 0.6339 0.4209 0.5885 0.6270 0.9162 0.4965 0.8715 0.2900 0.4405 0.6830 6.6553 5.6860 1.4953 0.2900 1.2739 0.7191 0.2900 0.2900 0.8541 0.2900 1.4293 1.4330 0.7945 1.0923 0.2900 0.7657 0.5148 0.8988 0.2900 0.7592 0.9940 0.8492 1.0060 0.9628 21.5897 19.1621 38.8618 32.6021 41.3345 42.9212 40.5548 34.0095 7.6282 9.7783 7.0874 14.4661 (S)-3-hydroxybutyrylcarnitine CAR 4:0;3OH 2.9466 0.4790 0.7983 0.9190 3.1976 2.4358 2.4366 0.7262 0.8508 0.8544 0.8916 0.4790 18.9936 17.4545 1.2876 0.9321 0.7935 0.9553 0.4790 0.4790 0.6677 0.6687 0.9493 0.8878 1.0065 0.4790 0.7001 1.0237 0.4790 1 0.7728 0.9066 0.8277 0.9602 0.6002 0.7608 2.9709 2.3030 1.9246 2.3128 2.8600 2.9560 2.2947 2.3950 1.7924 1.9691 2.0586 3.3214 S-adenosylhomocysteine (SAH) S-Adenosylhomocysteine 2.4549 1.3449 2.1788 2.0686 2.4399 1.8188 2.7891 2.1132 2.3963 2.7987 2.7470 0.8124 5.1250 4.2737 1.4317 0.4003 0.7852 0.9106 0.2882 0.5670 0.7443 0.9536 0.5929 1.4490 0.6654 0.7457 0.3923 0.7299 0.3760 0.5170 0.4345 1.0464 0.7432 0.7999 0.8031 0.7372 0.5085 0.5059 0.6312 0.6861 1.9268 1.9217 1.2163 1.4211 1.0738 1.3977 1.1495 1.8324 S-adenosylmethionine (SAM) S-Adenosylmethionine 0.2962 0.2962 3.2352 2.1605 0.4011 0.2962 0.2962 0.6191 1.8761 1.7930 1.5097 0.3325 30.1646 34.3502 0.2962 1 0.2962 0.2962 0.2962 0.2962 0.2962 0.2962 0.2962 0.8352 0.3947 0.2962 0.2962 0.4550 0.2962 0.3116 0.2962 0.2962 0.2962 0.2962 0.5888 0.2962 0.2962 0.2962 0.2962 0.3330 4.2471 6.0280 1.4062 2.0992 0.2962 0.5371 0.6001 3.6075 sedoheptulose Glucoheptulose 0.2822 0.1666 0.1666 0.1666 0.2572 0.1666 0.3281 0.1666 0.1666 0.1666 0.1666 0.1666 0.3653 0.1666 0.6180 0.1666 0.1666 0.1666 0.1666 0.1666 0.1666 0.1666 0.2587 0.5776 0.1666 0.1666 0.1666 0.1666 0.1666 0.1666 0.1666 0.1666 0.1666 0.1666 0.1666 0.1666 2.2294 2.1220 6.8818 9.2750 27.2092 32.5137 14.2363 12.8608 0.9916 0.7520 1.0084 1.0410 sedoheptulose-7-phosphate Sedoheptulose 7-phosphate 0.9978 0.6132 1.1927 1.0126 0.9094 0.5939 0.9909 1.5204 1.2091 1.7098 1.4051 0.3957 3.6719 2.2752 1.8505 0.2289 1.3492 1.0199 0.2914 0.4764 0.7850 0.8307 0.9530 0.8777 1.0022 0.9863 0.3313 0.6946 0.4174 0.6771 0.7530 0.8265 0.6677 0.5936 0.6180 0.5326 1.7412 1.4892 2.7794 3.1568 8.0651 5.1490 3.7330 2.9970 11.7379 11.8390 12.6370 15.0813 serine Serine 0.6137 1.1084 0.6878 0.7021 0.7264 0.5226 0.6426 0.7769 0.6641 0.7081 0.5901 0.8021 1.8533 1.7067 3.3609 0.9497 1.1903 1.7701 0.5833 0.9588 1.2700 1.3579 1.0412 1.8019 1.3616 1.2196 1.1897 1.4521 0.7212 1.4154 1.3558 1.7202 1.5419 1.3735 1.4229 1.2173 0.2086 0.1849 0.3225 0.2889 0.7519 0.6826 0.4026 0.3772 1.4753 1.4377 1.5539 0.9174 serotonin Serotonin 0.2269 1.1108 1.3143 1.2580 0.2269 0.2269 0.2269 0.7996 1.1754 1.6158 1.5213 0.8892 1.4352 1.7061 0.3404 0.2269 0.2269 0.2269 0.2269 0.2269 0.2269 0.2269 0.2269 0.2269 0.2269 0.2269 0.2269 0.2269 0.2269 0.2269 0.2269 0.3359 0.2269 0.2269 0.2269 0.2269 0.2269 0.2611 0.6458 0.7765 2.2681 3.0220 1.1483 1.6493 0.5650 0.6032 0.3736 0.5444 spermidine Spermidine 3.5943 2.5754 3.9693 2.5709 3.2183 3.4700 3.2100 3.5510 7.3688 5.0002 2.9656 4.4517 14.4551 13.3986 0.9770 0.1006 0.2453 0.1877 0.1059 0.1121 0.2017 0.2066 0.3177 1.3602 0.4762 0.4394 0.0559 0.1634 0.2300 0.2048 0.2738 0.8412 0.3559 0.3287 0.5100 0.5236 1.5960 0.7635 1.4537 1.6718 1.6303 1.6544 0.7305 0.6379 1.0230 1.1017 1.0395 2.8243 spermine Spermine 0.7192 13.1206 4.4033 3.8056 1.5941 3.3582 0.9818 2.7119 4.5987 2.5623 1.7092 12.4151 0.7921 0.8715 1.5881 0.1801 0.1870 0.4631 0.1942 0.2667 2.0187 1.8874 0.5707 11.1602 0.4616 0.4577 0.1957 0.2358 0.1801 0.3460 0.4857 2.1062 0.3589 0.2617 0.3965 0.3653 2.1309 1.1005 1.6676 1.7833 0.6191 0.6721 1.6056 0.5932 1.4580 1.3931 1.2104 1 sphingadienine Sphingadienine 0.5696 0.7387 0.8372 1.0066 0.6142 0.5634 0.8346 1.0881 0.7193 1.1508 1.0586 0.5010 2.7427 2.3696 2.7757 0.6173 1.0727 0.9934 0.8143 0.8648 1.8161 2.1022 2.0691 5.8949 1.2797 1.4244 0.7521 0.8406 1.0868 1.5914 1.0211 1.8962 1.1350 1.1573 1.0744 1.0173 0.8042 0.6393 0.8511 0.9518 1.1136 1.2158 0.7420 0.6686 0.6512 0.6608 0.6271 0.5973 sphinganine Sphinganine 1.2235 0.8946 1.0971 1.0810 1.4373 0.9851 2.1226 1.0393 0.9757 1.1428 1.0149 0.5971 3.8237 3.4088 3.0208 0.7508 0.9439 1.2753 0.7371 0.8508 0.8569 0.9012 1.5923 5.1652 1.1908 1.1767 0.7734 1.3350 0.7575 1.1118 0.6931 1.3052 1.9056 1.9566 1.6837 1.4675 0.1704 0.1579 0.3299 0.2742 0.6287 0.6096 0.2584 0.2794 0.7879 0.8495 0.8103 1.1090 sphingomyelin (d17:1/14:0_ d16:1/15:0)* SM 31:1;O2 1.1569 1.0225 0.9698 1.0700 1.3274 1.0742 0.9684 1.3883 1.4285 1.4278 1.3120 0.7065 1.2859 1.1255 2.0778 0.6767 1.1627 1.0049 0.5274 0.6105 2.0993 2.5216 1.3541 2.7189 1.0576 1.1416 0.3913 0.9462 0.4040 1.2419 0.7969 1.2131 0.9321 0.9951 0.7923 0.6744 0.3565 0.2932 0.3736 0.3228 1.2498 1.2289 0.7090 0.8636 0.7656 0.8017 0.7040 0.5698 sphingomyelin (d17:1/16:0_ d18:1/15:0_ d16:1/17:0)* SM 33:1;O2 0.8940 0.8918 0.8760 0.9612 0.9336 0.6220 0.8536 1.0496 1.0751 1.0840 1.0654 0.6575 1.3105 1.2522 2.0127 0.9619 1.4057 1.2830 1.1125 1.2495 1.4734 1.5777 1.3672 1.6515 1.2858 1.2478 1.0208 1.3758 0.6503 1.3758 0.9792 1.4213 1.1335 1.1851 1.0386 0.9215 0.1632 0.1441 0.1935 0.1755 0.4874 0.5121 0.3825 0.4119 0.6386 0.6439 0.6032 0.5832 sphingomyelin (d17:2/16:0_ d18:2/15:0)* SM 33:2;O2 1.3606 1.4562 1.4948 1.6397 1.4943 0.9128 1.3809 2.0411 2.0154 1.9404 2.0369 0.9327 1.6992 1.4830 2.0501 0.6581 1.3428 0.9936 0.8911 1.0051 2.5779 3.0925 2.0551 4.1731 1.4327 1.3262 0.6658 0.6528 0.6374 1.3746 0.9949 1.3313 0.8456 1.0423 0.7704 0.7103 0.1629 0.2025 0.1532 0.2809 0.7914 0.7478 0.4915 0.4733 0.7551 0.8942 0.7226 0.7198 sphingomyelin (d18:0/18:0_ d19:0/17:0)* SM 36:0;O2 7.3799 0.8600 1.5768 1.7358 7.9207 3.6786 7.3183 0.9494 1.0129 1.0104 1.0832 0.4971 1.1557 1.0495 0.9156 0.2296 0.5591 1.2962 1.5217 1.7443 0.4342 0.4899 1.1889 1.9172 0.7569 0.7977 1.4172 1.5375 0.2877 0.5377 0.3603 0.6729 1.5416 1.5978 1.6335 1.4272 0.1337 0.0642 0.3361 0.3287 1.0486 0.9896 0.4131 0.4329 0.0642 0.0642 0.0970 0.1114 sphingomyelin (d18:0/20:0_ d16:0/22:0)* SM 38:0;O2 6.9107 0.5581 1.0730 1.2509 8.9437 3.5995 8.6655 0.9600 0.8762 1.1149 1.0400 0.2755 1.8968 1.5873 1.4562 0.3299 0.7041 2.0707 2.0023 2.3578 0.7807 0.8233 1.4278 3.2505 0.8359 0.9501 1.9182 2.0215 0.2989 0.8167 0.3771 0.8798 2.3759 2.5680 1.9935 1.9829 0.2594 0.2126 0.5396 0.4262 1.9687 2.0663 0.7723 0.7246 0.3349 0.2888 0.3352 0.5185 sphingomyelin (d18:1/14:0_ d16:1/16:0)* SM 32:1;O2 1.3128 1.2922 1.1635 1.3352 1.5024 1.1307 1.2585 1.4223 1.4539 1.4650 1.4337 0.8648 1.0954 1.0144 1.7911 0.6020 1.0734 1.0035 0.5540 0.6082 1.5673 1.6494 1.2653 1.8366 0.9808 0.9965 0.4446 0.8306 0.5314 0.9517 0.6613 0.9480 1.0739 1.1522 0.9266 0.8582 0.5358 0.5323 0.5911 0.5555 1.1346 1.1665 0.8113 0.8268 0.9292 0.8997 0.9252 0.7957 sphingomyelin (d18:1/17:0_ d17:1/18:0_ d19:1/16:0) SM 35:1;O2 1.6085 0.7024 0.8665 0.9409 1.6926 1.2581 1.5541 0.5234 0.5104 0.5472 0.5499 0.5522 1.0697 0.9409 1.1555 0.9376 1.3483 1.4022 1.2930 1.3523 1.6687 1.7735 1.4853 1.7646 1.2108 1.3291 1.1038 1.4522 0.8215 1.4511 1.2120 1.4470 1.1166 1.1400 1.0225 0.9775 0.0538 0.0449 0.0514 0.0506 0.1121 0.1097 0.0839 0.0952 0.2995 0.3138 0.2989 0.2865 sphingomyelin (d18:1/18:1_ d18:2/18:0) SM 36:2;O2 1.7283 1.0966 0.9560 1.0315 1.7504 1.3990 1.7112 1.2026 1.1647 1.1354 1.1142 0.8879 0.6916 0.6421 0.6950 0.5894 0.6742 0.7472 1.1343 1.1889 1.2391 1.1634 0.9024 1.2856 0.7388 0.7245 1.1085 0.8324 0.5016 1.1776 1.0596 1.3168 0.8173 0.8554 0.7747 0.7409 0.9063 0.8458 1.0016 0.9984 1.2961 1.2240 1.1252 1.2366 0.4034 0.3793 0.3936 0.3774 sphingomyelin (d18:1/19:0_ d19:1/18:0)* SM 37:1;O2 5.4929 0.3051 0.3589 0.3573 5.9917 3.5113 5.6925 0.4098 0.5434 0.4717 0.4660 0.1958 1.0692 0.8659 1.4884 1.0813 1.0710 2.1259 3.9753 4.0705 0.8203 0.8784 0.7323 1.2398 0.9309 0.8791 3.8656 2.8847 0.4946 1.3160 0.9182 1.2175 1.3621 1.4787 1.1933 1.0696 0.1958 0.2156 0.2511 0.1958 1.0039 1.0758 0.7913 0.7080 0.8783 0.9961 0.7365 1.0092 sphingomyelin (d18:1/20:0_ d16:1/22:0)* SM 38:1;O2 2.6442 0.3867 0.4438 0.4740 2.8296 1.7529 2.6862 0.6345 0.6276 0.6710 0.6797 0.2809 1.0200 0.9243 1.3698 0.9498 1.0315 1.7244 1.8734 2.0938 0.6260 0.6733 0.7564 0.9800 0.9155 0.9572 1.9978 1.8232 0.4887 0.7926 0.6579 0.7704 1.4065 1.4811 1.2565 1.2860 0.8343 0.7921 0.8804 0.8713 2.0507 2.1717 1.5058 1.5428 1.5758 1.6493 1.5771 1.6996 sphingomyelin (d18:1/21:0_ d17:1/22:0_ d16:1/23:0)* SM 39:1;O2 2.1229 0.4982 0.5494 0.6191 2.3046 1.3082 2.4607 0.7277 0.7349 0.8099 0.7829 0.2476 1.5348 1.4393 1.9051 0.6682 1.0241 1.5897 1.5137 1.7630 1.3901 1.4895 1.3292 2.2249 0.9844 0.9490 1.5548 1.5139 0.3177 1.1736 0.6324 1.1842 1.5017 1.5721 1.2756 1.1380 0.1520 0.1364 0.2004 0.1831 0.8008 0.8765 0.4009 0.4730 0.9215 1.0156 0.9443 0.9369 sphingomyelin (d18:1/22:1_ d18:2/22:0_ d16:1/24:1)* SM 40:2;O2 1.9912 0.9309 0.8842 0.9662 1.5487 1.2108 1.9509 1.1424 1.1422 1.4155 1.4137 0.6486 1.1319 1.0740 1.3852 0.7958 0.9835 1.0860 0.9942 1.0328 0.7930 0.8138 1.1870 1.9601 0.9116 0.9492 0.9752 1.0058 0.5303 1.0958 0.8436 1.1338 0.7808 0.8196 0.7110 0.7440 0.6139 0.5534 0.6585 0.6466 1.1019 1.1731 0.7929 0.8038 1.0639 1.1164 1.0435 1.1403 sphingomyelin (d18:1/22:2_ d18:2/22:1_ d16:1/24:2)* SM 40:3;O2 2.1178 1.0983 1 1.2032 1.9556 1.3415 2.2827 1.2499 0.4419 1.2727 1.3787 0.9100 1.0737 1.1537 1.2448 0.5627 0.7434 0.6615 1.0463 1.1868 0.7098 1.0328 1.4367 2.1191 0.7802 0.6796 1.1241 0.5244 0.6507 1.2695 1.0734 1.7116 0.7677 0.6157 0.4571 0.4419 0.6461 0.4419 0.6222 0.7089 0.5146 0.4419 0.4419 0.4630 0.7704 0.4419 0.8343 0.7232 sphingomyelin (d18:1/24:1_ d18:2/24:0)* SM 42:2;O2 1.3192 0.7290 0.7192 0.7828 1.0803 0.6757 0.9405 0.8848 1.2412 0.9891 0.9414 0.4186 1.0430 0.9113 1.7981 0.6408 1.0096 1.3505 1.0590 1.1371 1.7679 1.7197 1.2516 1.6688 1.0014 0.9631 0.8958 1.2617 0.3411 1.0918 0.6363 0.9400 1.2513 1.2548 1.2849 0.7687 0.3487 0.2955 0.4921 0.5399 1.0137 0.9986 0.6263 0.6233 1.3518 1.3751 1.3513 1.1795 sphingomyelin (d18:1/25:0_ d19:0/24:1_ d20:1/23:0_ d19:1/24:0)* SM 43:1;O2 1.4851 0.4446 0.6210 0.6748 1.5954 0.9793 1.3793 0.7155 0.7617 0.8234 0.7453 0.2744 2.7606 2.4181 5.6878 0.8176 1.3570 1.9152 0.5404 0.5570 1.9044 2.1365 1.3992 1.8792 1.5338 1.4909 1.0207 1.4582 0.6284 0.8225 0.5024 0.8568 2.9358 2.9799 2.3438 2.0306 0.2603 0.2143 0.3564 0.3595 0.7958 0.8538 0.5124 0.5051 1.8770 1.8897 1.7985 1.5479 sphingomyelin (d18:2/14:0_ d18:1/14:1)* SM 32:2;O2 0.8045 1.0904 0.9377 1.2294 0.9982 0.9938 0.9538 1.6250 1.6308 1.5946 1.4828 0.7027 0.8455 0.8459 1.3858 0.5388 1.0018 0.7185 0.4760 0.5815 3.0425 3.0485 1.3929 3.0464 0.8725 0.8334 0.3623 0.4749 0.4043 1.0767 0.6815 0.9811 0.7383 0.7861 0.6740 0.5221 1.3584 1.2384 1.2139 1.0199 2.4970 2.8605 1.5313 1.5574 1.1733 1.1167 1.0690 0.7325 sphingomyelin (d18:2/16:0_ d18:1/16:1)* SM 34:2;O2 1.0157 1.5427 1.4264 1.6373 1.1767 0.7757 1.0144 1.9659 1.9936 1.9248 1.9246 1.0543 1.1362 1.0761 1.4945 0.6267 1.0625 0.8696 0.7895 0.8513 1.9946 2.1810 1.5565 2.1831 1.0185 1.0418 0.6106 0.6084 0.6285 1.1119 0.7830 1.1756 0.9782 1.0643 0.9856 0.9199 0.4429 0.4333 0.5104 0.5041 0.7597 0.7909 0.6578 0.6753 0.7423 0.7159 0.7291 0.7696 sphingomyelin (d18:2/21:0_ d16:2/23:0)* SM 39:2;O2 1.6414 0.1707 0.4974 0.1707 1.5230 1.1107 0.1707 0.1707 0.9198 0.7802 0.8242 0.1707 1.1431 0.8484 1.5597 1.0850 1.1574 1.3302 1.5189 1.4691 0.8877 0.9436 1.0041 1.9592 1 1.0678 1.3892 1.3040 0.2376 1.2269 0.9937 1.3974 0.5904 0.1707 0.5057 0.4763 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 0.2517 0.4011 0.4647 0.6872 sphingomyelin (d18:2/23:0_ d18:1/23:1_ d17:1/24:1)* SM 41:2;O2 1.2060 0.7468 0.6886 0.8039 1.3016 0.7133 1.1763 0.9719 0.9654 1.0562 0.9975 0.3841 1.2372 1.0995 2.0124 0.6389 1.1025 1.4000 1.0673 1.2023 1.3915 1.5591 1.5614 2.5033 1.0354 1.0972 1.0290 1.3616 0.3490 1.3499 0.7535 1.2687 1.1740 1.2452 0.9557 0.8206 0.2054 0.1607 0.2585 0.2478 0.6540 0.7330 0.3629 0.3912 0.9314 1.0025 0.9379 0.8641 sphingomyelin (d18:2/23:1)* SM 18:2;O2/23:1 1.5455 1.1551 1.2090 1.1132 1.2547 1.0174 1.2049 1.7657 1.6118 1.8596 2.1468 0.9831 0.9648 1.0830 1.4992 0.7633 1.1695 0.9373 0.7373 1.0169 1.1628 1.8062 1.8755 3.4736 1.1774 1.0802 0.9657 0.8577 0.5419 1.6669 1.2516 1.5158 0.7350 0.6613 0.5313 0.4924 0.3468 0.2780 0.2218 0.3032 0.2509 0.2576 0.2584 0.2206 0.7604 0.8269 0.7800 0.7583 sphingomyelin (d18:2/24:1_ d18:1/24:2)* SM 42:3;O2 1.2004 1.2790 1.3109 1.3472 1.2254 0.8904 1.1443 1.5429 1.3859 1.7605 1.7563 0.9339 0.9888 1.0112 1.3218 0.8158 1.0744 0.9378 1.1396 0.9841 1.1787 1.2132 1.3808 2.2005 0.9092 0.8976 1.1489 0.8003 0.6764 1.2529 1.0982 1.2437 0.7457 0.8024 0.7496 0.6463 0.8137 0.7299 0.8270 0.7865 1.0420 1.0827 0.7908 0.7809 0.8625 0.8635 0.8540 0.7853 sphingomyelin (d18:2/24:2)* SM 18:2;O2/24:2 1.4524 1.3735 1.9918 1.5929 1.4862 1.2073 0.4582 2.0739 2.0019 2.3412 2.2968 1.3968 0.9028 1.2567 1.4912 0.5696 1.1822 0.5946 1.0648 1.3053 1.8236 1.6190 2.2269 3.2176 0.9322 0.6319 0.9352 0.4862 0.4582 1.7159 1.1683 1.9451 0.4824 0.5376 0.5720 0.4582 0.7058 0.6291 0.6565 0.6573 0.7317 0.6127 0.6653 0.5819 0.6728 0.8682 0.8183 0.7317 sphingosine Sphingosine 0.6050 0.7876 0.8535 0.9194 0.6785 0.5707 0.9078 0.9951 0.8201 1.0448 0.9575 0.5776 3.6618 3.3634 2.8661 0.7697 1.2130 1.1186 0.7044 0.7600 1.5471 1.6941 1.6409 4.2339 1.3987 1.4375 0.6335 1.0179 1.0049 1.2871 0.8612 1.4673 1.5773 1.6476 1.3903 1.2203 0.3189 0.2878 0.3468 0.3442 0.8641 0.8868 0.3968 0.4499 1.2502 1.2908 1.1958 1.2341 stachydrine Stachydrine 1.0612 1.0084 0.7012 0.6326 0.8034 0.3964 0.7160 1.0545 1.0538 0.7687 1.0958 1.1378 4.9033 4.6943 7.4792 0.7258 0.7942 0.5289 0.3321 0.3520 40.1088 22.9103 21.8697 0.6758 0.3321 0.9113 0.5866 0.3321 0.7797 0.3664 0.3321 1 0.6274 0.6500 0.5708 1.2412 1.1614 0.9776 0.4815 1.5294 1.5931 1.9923 1.0354 0.8029 1.7527 2.0521 1.5191 2.0299 stearate (18:0) Stearic acid 1.1044 0.9867 0.8495 0.7620 1.9669 1.3790 2.4719 2.2002 0.6953 0.7328 0.7217 0.6725 1.1999 1.1805 0.9568 2.1347 0.6306 1.6466 1.0711 1.4503 0.8842 0.9857 0.7446 3.3841 0.9384 1.4661 1.4229 1.1616 0.6848 3.3985 1.0740 4.1597 0.4596 1.2925 1.0997 1.1348 0.8646 0.7270 0.6340 1.0107 0.8151 1.3755 1.2686 0.7253 0.9496 0.9893 0.5271 0.9715 stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]* DG 18:0_20:4 1.9824 0.8452 0.6428 0.8154 2.2227 1.3547 1.8985 0.7060 0.7724 0.7347 0.7312 0.4823 0.9465 0.3099 2.2305 0.6978 0.5387 1.4216 0.1708 0.1708 1 1.1343 1.8999 0.3510 1.3774 1.2518 0.1708 1.2481 0.5548 0.1708 0.2254 0.6519 1.4418 1.1782 1.2381 1.0491 0.1708 0.4466 0.4423 0.1708 1.0353 1.2261 0.8150 0.3208 2.0952 1.9220 2.1088 1.3588 stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]* DG 18:0_20:4 1.8677 0.9484 0.6656 0.8407 1.9776 1.1622 1.6676 0.7443 0.7262 0.6959 0.6718 0.5833 1.2003 0.8757 0.9493 0.5315 1.2469 1.1864 0.8936 0.9720 0.8792 1.0297 1.3069 0.7855 1.2396 1.2886 1.1072 1.0582 0.6475 1.1224 0.7571 1.1351 1.1572 1.0954 1.0248 0.9752 0.3533 0.2990 0.5207 0.4845 1.1183 1.1767 0.9408 0.9012 1.7064 1.8146 1.7215 1.4008 stearoylcarnitine (C18) CAR 18:0 5.8418 1.3248 1.2098 1.1782 6.9515 3.0695 5.3897 0.7426 1.1629 0.8064 0.7932 0.8069 15.4591 16.3538 1.3179 0.8349 0.7476 0.8326 1.2201 1.5539 2.1670 2.5449 2.2326 7.6357 0.9196 0.9971 1.8978 0.7536 0.7930 3.8347 2.3269 6.8252 0.8283 0.8602 1.1231 1.1356 1.0029 0.9532 0.8793 0.8713 0.6124 0.7458 0.4862 0.6022 0.6423 0.6534 0.5891 0.9735 stearoyl-docosahexaenoyl-glycerol (18:0/22:6) [2]* DG 18:0_22:6 1.3411 0.6302 0.4880 0.5903 1.3737 0.7372 1.4674 0.4195 0.4099 0.3982 0.3572 0.3913 1.0158 0.7576 1.5631 0.9373 1.0301 1.5318 0.9208 1.0638 0.9348 1.0725 0.9481 1.0096 0.9983 1.0017 1.3225 1.3641 0.5644 1.2985 0.8850 1.4934 2.2421 2.0580 1.7020 1.6301 0.3712 0.3552 0.4342 0.4151 0.9767 1.1000 0.9282 0.8971 2.0827 2.0466 2.0092 1.6538 stearoyl ethanolamide Stearoyl-EA 2.5422 1.2761 1.1923 1.2991 2.7547 1.5655 2.7015 1.5346 1.5302 1.4818 1.4219 0.7965 1.4115 1.2965 1.6100 0.5311 0.5956 0.8044 0.5892 0.6591 0.8855 1.1140 1.1315 2.3041 0.7824 0.7375 0.5824 0.8007 0.3497 0.6149 0.4785 0.7457 0.8436 0.9547 0.8983 0.7550 1.4684 0.9088 0.7456 0.6480 1.0576 1.0453 0.5941 0.5875 3.0231 2.6670 3.1925 2.9388 stearoyl sphingomyelin (d18:1/18:0) SM 18:1;O2/18:0 3.2477 0.8383 0.8755 1.0564 3.3149 2.4133 2.8349 1.0119 0.9635 0.9881 1.0622 0.7673 0.7662 0.7777 0.8324 0.7168 0.7530 1.0485 1.5173 1.5566 0.8613 0.9360 0.9296 1.1943 0.7499 0.7972 1.5615 1.3622 0.5963 1.2058 1.1459 1.3007 1.1113 1.1446 1.0816 1.0697 0.6489 0.6117 0.6841 0.7193 1.4664 1.5558 1.4131 1.3543 0.6796 0.7123 0.7102 0.7810 succinate Succinic acid 1.8426 1.3009 2.3422 3.9009 1.6193 1.2313 2.1117 1.3506 1.8165 1.9053 3.0058 0.7576 3.7102 4.6667 0.6913 0.2182 0.2856 0.6768 1.8109 1.6264 0.2810 0.5087 0.6017 0.7220 0.1889 0.2985 0.3979 0.7145 0.4210 0.6196 0.3955 1.0046 0.2720 0.2824 0.2862 0.5115 0.5991 0.7180 0.8193 0.9954 2.0986 2.4924 1.1164 1.6417 2.4495 3.6261 2.6230 5.4223 succinylcarnitine (C4-DC) CAR DC4:0 1.0357 0.5084 1.0896 1.0061 1.1637 0.7767 0.8868 1.2485 1.3537 1.2070 1.2329 0.0949 2.9443 3.2183 0.9939 0.0949 0.4030 0.0949 0.3458 0.3134 0.0949 0.0949 0.6339 0.5396 0.0949 0.0949 0.0949 0.0949 0.0949 0.3457 0.1437 0.0949 0.0949 0.0949 0.0949 0.0949 0.2591 0.0949 0.0949 0.0949 0.0949 0.0949 0.0949 0.2626 8.8745 9.6196 7.9211 5.4963 taurine Taurine 2.3070 0.3459 1.6530 1.2431 2.2861 1.7343 1.7203 1.6304 2.7726 2.6949 2.1773 0.2792 35.9025 34.3571 0.6921 0.1288 0.2650 0.2120 0.1372 0.2449 0.4907 0.5502 0.1415 0.1708 0.3719 0.3593 0.2194 0.4345 0.1105 0.3776 0.3360 0.7569 0.3659 0.3853 0.6749 0.6601 10.0160 7.6395 5.0680 5.4459 4.4062 4.6350 4.3873 4.5454 13.6659 15.0335 14.1862 21.1559 taurochenodeoxycholate Taurochenodeoxycholic acid 0.5907 0.9537 0.2590 0.7254 0.9002 0.7661 1.2209 0.7172 0.4887 0.2910 0.4794 0.2366 0.2366 0.2366 1.9741 0.8699 1.2911 2.9686 1.6873 2.4967 2.2206 2.7722 0.4919 2.8967 0.2366 0.3639 3.2805 0.2524 0.2366 2.6710 1.0463 2.5487 4.0482 4.5992 2.9082 2.4005 0.6909 0.8255 0.8929 0.6479 1.6682 2.3340 1.4415 1.3112 0.8955 0.9302 0.8159 1.6497 tetradecadienoate (14:2)* Tetradecadienoic acid 3.8764 0.7262 1.1444 1.3122 3.9045 3.4243 4.2034 2.0031 1.7866 2.1339 1.7856 0.5308 6.4107 5.4193 0.7925 0.6483 1.1201 1.0842 0.9619 1.0719 0.2887 0.2132 0.7756 2.0860 1.2517 1.3192 0.5007 1.1155 0.2682 1.8413 0.9946 2.4986 1.0054 0.9379 1.6001 1.3517 0.8220 0.7803 0.5323 0.5206 0.6962 0.7763 0.3328 0.4951 0.1556 0.0496 0.2797 0.2829 thiamin (Vitamin B1) Thiamine 0.3172 0.9594 1.3043 1.2901 0.4148 0.1927 0.4691 0.8415 1.4410 1.2047 1.0736 0.5242 3.1772 3.5672 1.8233 0.3466 0.4735 1.2701 0.8798 1.4383 0.6288 0.7841 0.8712 1.1732 0.7944 0.9050 1.6159 1.0787 0.5090 0.6773 0.4329 0.8683 0.9030 0.9548 0.9109 0.9414 1.0406 0.9258 1.1625 1.2981 2.1273 2.8900 1.4465 1.7430 2.1094 2.3526 1.8257 2.5301 thioproline Thioproline 0.7311 1.7501 1.5684 1.5776 0.7716 0.6916 0.5904 0.9783 0.8153 1.0217 1.0416 1.5308 0.9617 0.9337 1.0290 0.8045 0.6418 0.7625 2.7016 2.4357 0.7728 0.8755 2.0123 1.9871 0.8349 0.7375 1.0379 0.7662 0.7157 0.9488 0.6753 0.7984 0.5164 0.5480 0.5766 0.5050 3.8049 3.1638 3.9157 4.4312 5.1575 5.2460 6.0910 5.5817 5.9196 6.1275 5.7697 8.3069 threonate Threonic acid 0.4478 0.1536 1.6799 0.6398 0.1536 0.9299 0.8477 0.4837 2.6963 1.3015 1.4045 0.1536 11.2554 20.3214 0.1536 0.1536 0.1536 0.3259 0.1536 0.1536 0.1536 0.3530 0.1536 0.4887 0.6138 0.5333 0.3527 0.1536 0.1536 0.5716 1.1897 1.6346 1 1.3724 2.1094 1.9235 0.5687 0.7889 0.1536 0.6021 1.2632 1.3913 0.6487 1.0843 1.6091 2.6481 2.4772 0.1536 threonine Threonine 0.7413 1.2782 1.1727 1.0863 0.8287 0.5456 0.6934 1.0237 0.9882 1.0105 0.8579 0.8804 4.0475 3.7898 3.4790 0.5742 0.9408 1.4971 0.5377 0.9225 1.2388 1.3588 0.9669 2.2138 1.0626 0.9895 0.8249 1.2612 0.5124 1.1279 1.0904 1.7008 1.4474 1.2679 1.3511 1.1604 0.2407 0.2090 0.3951 0.3681 0.8007 0.6985 0.4258 0.4225 1.3864 1.3381 1.3693 0.9583 threonylphenylalanine Thr-Phe 0.2507 1.4758 0.2302 0.5644 0.4637 0.4219 0.6631 0.3708 0.3888 0.2427 0.4732 0.6308 0.1814 0.1819 1 6.9841 5.5573 2.4484 26.4797 6.1565 2.6178 3.0661 5.1112 0.8836 4.5552 6.1746 1.8460 1.9879 4.2049 3.4487 1.0941 0.6102 2.2475 3.1696 2.2318 2.6214 0.1758 0.1758 0.1900 0.1758 0.1758 0.1786 0.5250 0.4859 0.1758 0.1758 0.1758 0.1758 thymidine Thymidine 2.9456 1.6644 2.8281 3.0379 2.3950 2.5932 4.8461 3.0459 5.7457 3.4642 1.5875 1.2454 5.3868 1.5563 0.5239 0.1338 0.1338 0.2281 2.4474 0.9543 0.1338 0.1338 0.1338 0.5795 0.1338 0.1338 0.1338 0.1338 0.1821 0.1338 0.1338 0.1338 0.2278 0.2508 0.2500 0.1811 0.1338 0.1338 0.3157 0.2595 3.8996 3.8127 0.7278 0.9196 0.4263 0.3710 0.4213 1 tiglyl carnitine (C5) CAR 4:1;2Me 0.3695 0.3924 1.4383 0.6810 0.8944 0.3046 0.6147 0.8559 0.7271 0.6028 0.4366 0.3046 13.1379 12.7665 2.7971 1.3708 1.3868 1.8584 1.2395 1.4355 0.3271 0.9349 1.4536 1.0096 1.1936 1.3380 0.8616 3.0160 0.3456 1.3588 0.9904 2.1295 0.8186 0.6700 0.5757 0.4865 0.3046 0.3046 0.3404 0.3046 0.3046 0.3046 0.3046 0.3046 24.0631 24.2035 22.0626 36.3100 tricosanoyl sphingomyelin (d18:1/23:0)* SM 18:1;O2/23:0 1.3703 0.5516 0.6258 0.8647 1.4483 0.7873 1.1446 0.8746 0.8118 0.7943 0.7647 0.2484 1.9117 1.3264 1.7349 0.3888 1.0639 1.1371 0.6848 0.7258 1.5169 1.9611 1.1705 1.9791 0.9258 1.1927 0.9699 1.0301 0.3764 0.9024 0.5920 0.9340 1.4996 1.4902 1.4835 1.1986 0.3939 0.2539 0.4518 0.5984 1.2319 1.3742 0.8149 0.6688 1.8237 1.8476 1.8205 1.4535 trigonelline (N^-methylnicotinate) Trigonelline 0.5000 0.5806 1.2907 1.0192 0.7013 0.5512 0.9654 0.6903 0.9615 0.9670 0.7861 0.4310 3.0030 2.7110 2.3103 0.7098 1.0463 0.9808 0.7873 0.4989 4.5975 3.0637 3.9026 0.9076 0.5540 0.5488 0.6969 1.1655 0.4310 0.8477 0.9548 0.4310 0.8649 0.7541 1.0489 0.9550 2.5335 2.0061 1.8572 1.8243 2.7762 2.8683 2.3846 2.4874 4.6042 5.0421 4.4952 4.9798 tryptophan Tryptophan 1.2228 1.6413 1.8113 1.9059 1.3474 0.8234 0.9875 1.8114 1.7726 1.9310 1.7791 1.0866 4.1077 4.0563 2.1284 0.4262 0.7096 1.0213 1.1887 1.4665 1.0467 1.1456 1.1898 2.3849 0.9068 0.8235 0.8312 1.0140 0.4804 0.7945 0.6923 1.3641 1.0894 0.9982 1.0018 0.9377 0.0078 0.0099 0.0231 0.0129 0.8633 0.7134 0.4978 0.5526 0.6641 0.5935 0.6741 0.5497 tryptophylglycine Trp-Gly 0.1004 0.8387 0.1004 0.7215 0.2818 0.1004 0.1004 0.1004 0.1004 0.1004 0.1004 0.5330 0.1004 0.1913 1.8605 0.7502 0.9804 1.1912 2.7069 2.9204 1.9362 2.2972 3.2927 1.9447 2.0581 1.8647 1.5341 1.0196 0.9133 0.9424 0.8164 0.8776 1.2676 1.2842 1.4114 1.2111 0.1004 0.1004 0.1004 0.1004 0.3577 0.2384 0.2905 0.4066 1.0569 1.5061 0.9185 0.3162 tyrosine Tyrosine 0.5754 1.1366 0.8145 1.0014 0.6505 0.5223 0.5780 0.8848 0.8597 0.8913 0.7512 0.7899 2.4150 2.1421 2.7160 0.8612 1.0047 1.4201 0.6723 1.1095 1.1614 1.2475 0.9986 1.9257 1.3039 1.1815 0.8771 1.3365 0.5822 1.3967 1.0989 1.4962 1.3817 1.2892 1.3230 1.1395 0.2150 0.1767 0.3623 0.3114 0.8042 0.7320 0.3856 0.4345 1.0976 1.1974 1.1873 0.8829 tyrosylglycine Tyr-Gly 0.1299 1.1496 0.1582 0.3759 0.3298 0.1600 0.2031 0.1599 0.0946 0.0865 0.1386 0.6490 0.1949 0.2261 4.7580 2.3554 3.4373 4.4119 2.6949 3.1038 3.0293 3.5149 3.3610 1.8138 3.4670 3.4337 2.5866 3.1619 2.0330 2.5054 1.9343 1.6120 3.5267 3.2550 3.1041 2.8650 0.1428 0.2052 0.3819 0.3420 0.3854 0.3259 0.3685 0.4754 0.7954 1.1562 0.8504 0.3198 UDP-galactose UDP-galactose 1.1782 1.2205 2.4566 2.8271 1.0908 0.3030 0.9974 1.0127 3.2637 1.5438 1.3212 1.5360 3.3572 7.0595 0.4063 0.1451 0.1451 0.1451 0.3990 0.3475 0.4433 0.5503 0.5279 2.3849 1.8136 2.1095 0.1451 0.5552 1.0089 1.0026 0.8423 1.8894 0.4905 0.7036 0.8256 1.0242 0.1451 0.1451 0.1451 0.1451 0.1451 0.1596 0.1451 0.1451 0.7119 0.8224 0.5589 0.8873 UDP-glucose UDP-glucose 0.5494 0.5081 2.8358 5.8204 0.5200 0.1190 0.3207 0.9071 4.1137 1.8718 3.3852 1.1069 17.0969 27.4229 0.5348 0.1190 0.1190 0.1190 0.6871 0.5357 0.5662 0.5912 0.2009 1.1574 2.7295 3.5265 0.1190 0.2574 1.3859 0.8089 1 2.5735 0.6539 0.6901 1.4028 1.4242 0.1190 0.1190 0.1190 0.1190 0.2633 0.2780 0.1190 0.1618 1.2147 2.0197 1.3123 1.3000 UDP-glucuronate UDP-glucuronic acid 1.0848 0.5121 8.5427 7.3489 0.8121 1.6175 1.9446 7.7401 7.1259 8.1843 7.7863 0.8680 25.4913 24.6362 0.0958 0.0945 0.1102 0.0945 0.3955 0.5575 0.8522 0.9748 0.1927 1.3666 2.4149 3.5031 0.0945 0.0945 1.4087 0.5087 0.5045 2.1577 0.7106 1 1.4526 1.5701 0.6211 0.5192 0.5670 1.0805 1.3071 1.0262 0.5086 0.7419 0.7963 0.9461 0.9445 1.4065 UDP-N-acetylglucosamine/galactosamine UDP-N-acetylhexosamine 1.6105 0.2902 13.4317 10.5739 1.0193 1.6922 1.3244 21.0099 14.5775 33.6453 26.9353 0.3546 102.1839 99.9133 0.7675 0.1409 0.2680 0.2598 0.5122 0.4539 0.9087 0.9807 0.2647 0.5832 0.6082 0.8506 0.0810 0.2482 0.4490 0.2459 0.1207 0.4008 0.4035 0.4780 0.4864 0.5435 5.7897 4.2909 3.4380 4.8782 2.3711 1.4808 1.5685 2.2991 6.8780 7.5249 7.4855 7.3960 UMP UMP 0.8641 0.4044 5.6746 11.9836 0.7636 0.6120 1 5.7085 4.6878 11.8068 39.9657 0.4340 59.8936 219.3781 0.7055 0.2089 0.2104 0.2089 0.4270 0.6090 0.4141 0.3012 0.2569 1.1115 0.9396 1.4134 0.2089 0.2675 0.3670 0.6131 0.2089 0.9549 0.3358 0.5179 0.4538 0.6316 12.9800 13.0757 14.4296 13.1143 1.5178 1.0181 17.6693 16.7557 20.7910 23.7958 20.0527 56.0123 uracil Uracil 10.8544 4.2871 0.3648 0.3605 10.5622 2.9362 8.1388 0.9269 2.1498 0.8618 0.2336 1.7890 7.6205 2.8524 8.1825 0.3854 5.1367 2.8849 0.2187 0.4503 1.4208 2.2909 5.0030 10.4663 5.6031 4.8938 0.4904 0.7627 0.9563 0.6523 0.4277 1.0965 1.2503 1.2698 0.9606 0.9546 0.1249 0.1118 0.1771 0.2021 0.9011 1.0394 0.0758 0.0753 0.9358 0.8993 1.1549 1.2916 urate Uric acid 0.8196 0.4201 0.7268 0.9263 0.9404 0.7482 0.6073 0.4201 0.8640 0.8865 0.9443 0.4201 8.1749 7.4708 2.0117 0.8140 0.4201 0.7029 0.4201 0.4201 0.4201 0.4201 0.4201 0.4201 0.4201 0.4201 0.4584 0.7062 0.4201 0.5068 0.4201 0.4201 1.0003 0.8604 1.0718 0.9997 4.2068 3.6606 3.3053 3.6706 2.9742 3.2336 1.5523 1.7833 47.2625 46.4247 47.1098 46.8280 uridine Uridine 1.0363 1.5012 1.7978 1.5766 1.0254 0.8508 0.9541 1.6506 2.2002 1.8755 1.2944 1.3330 2.9658 1.9595 1.3698 0.4815 1.0326 0.9920 0.6946 0.9980 0.6768 0.7406 0.9144 1.5686 1.0267 1.0919 0.4719 1.1474 1.0020 1.5574 1.3434 2.1676 0.7550 0.7049 0.8132 0.6930 0.3510 0.2626 0.5082 0.5597 1.7143 1.6062 0.5261 0.6083 0.7534 0.6806 0.7535 0.9516 uridine 3^-monophosphate (3^-UMP) 3'-UMP 0.6707 0.9737 1.6485 2.2046 0.2364 0.5573 0.0816 1.2223 0.1846 0.7960 0.9193 1.3000 0.0696 0.1592 0.1823 2.2269 0.2195 0.2902 8.6160 7.8911 1.0554 0.7403 1.0895 1.9242 0.8264 0.7414 0.2284 0.4009 0.7533 0.2300 0.5771 0.4425 2.0393 2.2713 2.0953 1.9154 4.7893 2.3656 1.0263 1.2542 9.8800 0.4219 0.3491 2.4298 3.2635 2.6174 2.6009 1.8250 uridine 5^-diphosphate (UDP) UDP 0.8789 0.2593 2.7787 3.3627 0.5468 0.4999 0.8332 3.5264 1.8127 3.5703 4.4782 0.1531 5.6420 4.2758 0.1531 0.2750 0.1531 0.1531 0.1985 0.2596 0.2466 0.3896 0.2048 0.9458 1.3026 1.9202 0.1531 0.1813 1.1860 0.2672 0.2938 0.6344 0.5370 1.2847 0.9668 1.4311 1.8650 1.5293 1.0421 1.1554 1.0332 0.8641 0.5371 0.5881 1.5432 1.3605 1.5588 1.3716 uridine 5^-triphosphate (UTP) UTP 1.1292 0.6638 3.0185 3.7838 0.8767 0.6669 1.3276 3.0573 3.1265 3.3255 3.2281 0.1858 1.1233 0.8143 0.1858 0.1858 0.1858 0.1858 0.1858 0.1858 0.1858 0.1858 0.1858 0.1858 0.1858 0.1858 0.1858 0.1858 0.3046 0.1858 0.1858 0.1858 0.1858 0.2836 0.1858 0.1858 0.1858 0.1858 0.1858 0.1858 0.4335 0.4477 0.1858 0.1858 0.1858 0.1858 0.1858 0.1858 valine Valine 0.6392 1.1443 0.8023 0.8256 0.7253 0.4670 0.5955 0.7951 0.7170 0.8091 0.7467 0.7475 1.7157 1.6196 2.5489 0.7676 1.1434 1.7365 0.6096 0.9648 1.2949 1.4655 1.1724 1.7182 1.2955 1.1689 1.0831 1.2607 0.6766 1.1497 1.0352 1.3963 1.5665 1.3238 1.3601 1.1425 0.2297 0.2097 0.3542 0.3301 0.6723 0.6042 0.4117 0.3873 1.1985 1.1748 1.2097 0.8366 valylglutamine Val-Gln 0.1812 2.0961 0.2844 0.5601 0.4810 0.3116 0.5504 0.4107 0.3671 0.2828 0.3625 1.2240 0.2636 0.3295 1 5.0976 6.5790 4.0139 9.2299 3.3019 4.2897 5.3219 9.7749 1.2046 7.3782 8.1681 2.7535 2.7499 5.0261 4.4392 1.4616 0.7990 4.4177 5.3903 3.3825 4.3021 0.0667 0.0667 0.0903 0.0667 0.0667 0.1057 0.2045 0.1837 0.1924 0.2232 0.1596 0.1101 valylglycine Val-Gly 0.1794 1.6728 0.3336 0.9858 0.4974 0.3840 0.6417 0.3651 0.3930 0.2474 0.5106 1.0445 0.1537 0.3322 1.6247 4.0810 5.1109 4.8226 5.2472 4.3296 5.0604 5.1340 5.2539 0.9199 6.1135 6.1566 3.9203 3.5059 3.7029 3.2633 2.1188 1 5.2076 4.9740 4.6871 4.4587 0.0413 0.0413 0.0413 0.0652 0.0413 0.0418 0.1569 0.2541 0.1383 0.1650 0.1061 0.0833 xanthine Xanthine 0.6750 0.3657 0.5427 0.6984 0.5899 0.5915 0.6377 0.8629 1.0481 0.8547 0.6256 0.2400 21.6072 12.5089 2.9689 0.3440 0.5181 0.4689 0.2027 0.3408 1.2895 1.4549 0.5203 0.7892 1.1713 1.2067 0.4227 0.9519 0.3370 0.4512 0.5633 0.8743 1.6526 1.4203 1.8403 1.6104 10.6093 5.9333 15.8964 13.7072 61.2721 52.2337 14.9566 11.6001 66.9884 61.9279 68.1599 73.1374 xanthosine Xanthosine 2.1723 0.5247 0.5247 0.5247 0.7573 3.8342 14.6463 0.5247 0.5247 0.5247 0.5247 0.5247 3.2172 2.2482 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 1.0526 0.6547 0.6185 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 0.9474 0.7941 0.5247 0.5247 0.5247 0.5247 0.5247 0.5247 ximenoylcarnitine (C26:1)* CAR 26:1 2.7646 0.6396 0.6396 0.6396 3.5845 0.9286 1.3665 0.6396 0.6396 0.6396 0.6396 0.6396 1.1860 0.8771 1.5602 0.6863 0.6396 0.6396 0.6396 0.6396 0.6396 0.6396 0.6486 1.2292 0.6396 0.6396 0.8435 0.6396 0.6396 1.2495 0.8129 1.4177 0.6396 0.6396 0.6396 0.6396 0.9029 0.8591 1.0714 0.6396 0.6396 0.6396 0.6396 0.6396 0.6396 0.6396 0.6396 0.6396