Metabolite_name RefMet_name MUSC-00283 MUSC-00284 MUSC-00285 MUSC-00286 MUSC-00287 MUSC-00288 MUSC-00277 MUSC-00278 MUSC-00279 MUSC-00280 MUSC-00281 MUSC-00282 MUSC-00289 MUSC-00290 MUSC-00291 MUSC-00292 MUSC-00293 MUSC-00294 MUSC-00301 MUSC-00302 MUSC-00303 MUSC-00304 MUSC-00305 MUSC-00306 MUSC-00307 MUSC-00308 MUSC-00309 MUSC-00310 MUSC-00311 MUSC-00312 MUSC-00295 MUSC-00296 MUSC-00297 MUSC-00298 MUSC-00299 MUSC-00300 Factors - Genotype:EXOC5_KD Genotype:EXOC5_KD Genotype:EXOC5_KD Genotype:EXOC5_KD Genotype:EXOC5_KD Genotype:EXOC5_KD Genotype:EXOC5_KO Genotype:EXOC5_KO Genotype:EXOC5_KO Genotype:EXOC5_KO Genotype:EXOC5_KO Genotype:EXOC5_KO Genotype:EXOC5_OE Genotype:EXOC5_OE Genotype:EXOC5_OE Genotype:EXOC5_OE Genotype:EXOC5_OE Genotype:EXOC5_OE Genotype:IFT88_KO Genotype:IFT88_KO Genotype:IFT88_KO Genotype:IFT88_KO Genotype:IFT88_KO Genotype:IFT88_KO Genotype:IFT88_KO_WT Genotype:IFT88_KO_WT Genotype:IFT88_KO_WT Genotype:IFT88_KO_WT Genotype:IFT88_KO_WT Genotype:IFT88_KO_WT Genotype:WT Genotype:WT Genotype:WT Genotype:WT Genotype:WT Genotype:WT 10-heptadecenoate (17:1n7) 10Z-Heptadecenoic acid 0.7794 0.4488 1.2158 0.7511 0.8408 0.7934 1.1631 0.9301 0.9638 0.7521 2.8867 0.8974 1.5084 0.5118 1.1737 1.3819 8.3203 0.8655 2.5155 0.9879 0.4746 1.0121 0.5655 0.8137 0.4328 2.2070 2.2841 0.8896 1.6069 1.0139 0.9025 1.0362 1.0715 1.1644 1.1720 1.0880 10-nonadecenoate (19:1n9) Nonadeca-10Z-enoic acid 0.6826 0.4175 1.0791 0.6781 0.8158 0.7322 1.2409 1.1416 1.0848 0.9041 3.2587 1.0132 1.2922 0.4815 0.9868 1.2372 6.4333 0.6855 2.8344 1.1016 0.5848 1.1121 0.6755 0.8984 0.3449 1.5809 1.4974 0.6160 1.1834 0.7791 0.8902 0.9811 1.0208 0.9777 1.1067 1.0229 12-HHTrE 12S-HHTrE 1.7432 0.9652 0.9454 1.1397 1.1354 1.6742 0.9788 0.6877 0.9224 0.7148 1.0513 1.0212 13-HODE + 9-HODE HODE 1.1832 0.8069 0.5851 1.0013 0.9616 0.9747 1.1478 0.7949 1.1276 1.0576 0.9987 1.0068 (14 or 15)-methylpalmitate (a17:0 or i17:0) Methylpalmitic acid 0.6891 0.4173 1.3285 0.7696 0.8191 0.7735 1.2207 0.9792 0.9126 0.8106 2.8404 0.9385 1.3917 0.5434 1.0490 1.5148 7.2022 0.8115 3.1972 0.9798 0.6105 1.0202 0.4877 0.9017 0.4010 2.2990 2.0096 0.8301 1.9101 1.2222 0.8007 1.0964 1.0273 1.0371 1.2176 1.0208 16-hydroxypalmitate Juniperic acid 0.6195 1.0217 1.0477 0.9421 1.2739 0.7850 1.2296 0.8543 0.9710 0.9169 1.0318 1.1319 1.0218 0.9217 0.7552 0.9490 1.0418 1.0056 1.0876 0.9721 0.9944 1.1754 1.1093 0.8897 (16 or 17)-methylstearate (a19:0 or i19:0) Methyloctadecanoic acid 0.5519 0.3774 1.1116 0.6588 0.6999 0.5851 1.5239 1.3819 1.0977 0.9196 3.3739 1.1522 1.3567 0.6017 0.9938 1.4190 5.2484 0.7454 2.8105 1.0177 0.7200 0.9412 0.5772 0.9823 0.3848 1.8701 1.5364 0.6146 1.7364 1.1998 0.8859 1.0062 1.0797 0.9545 1.0511 0.9885 1-arachidonoyl-GPC* (20:4)* LPC 20:4/0:0 2.4924 0.6673 0.6508 0.6773 0.6508 0.6508 0.6508 0.6508 1.3227 0.6508 1.4760 0.6508 1-arachidonoyl-GPE (20:4n6)* LPE 20:4/0:0 1.8946 0.8799 0.5166 0.7861 0.6252 0.9871 0.3911 1.0129 1.7394 1.0173 2.2366 1.1770 1-arachidonylglycerol (20:4) MG 20:4 0.8093 0.2880 0.9059 0.7384 1.3675 1.0508 0.7487 0.9169 0.6076 0.5051 1.7034 0.8618 1.4945 0.3652 1.0306 1.7052 5.8298 0.8055 3.0356 0.9424 0.6989 1.0576 0.7268 0.8729 0.4384 1.5485 1.8213 0.6593 1.9794 1.4714 1.6460 1.3553 1.4611 1.4563 1.1843 0.9694 1-carboxyethylisoleucine 1-Carboxyethylisoleucine 0.8705 0.8705 0.8705 0.8705 0.8705 0.8705 1 0.8705 0.8705 1.0566 0.9103 1.3011 0.8705 0.8705 0.8705 0.8705 0.8705 0.8705 0.8705 0.8705 0.8705 0.8705 0.8705 0.8705 1-carboxyethylleucine 1-Carboxyethylleucine 0.5564 0.5564 0.5564 0.5564 0.5564 0.5564 1.3049 0.5564 1.1021 0.8287 0.8979 1.4274 0.5564 0.5564 0.5564 0.5564 0.5564 0.5564 1.0321 0.5809 0.9679 0.5809 1.1743 1.3291 0.8796 0.5809 0.5809 0.5809 0.5809 0.5809 0.5564 0.5564 0.5564 0.5564 0.5564 0.5564 1-carboxyethylphenylalanine 1-Carboxyethylphenylalanine 0.6943 0.6943 0.6943 0.6943 0.6943 0.6943 1.0522 0.6943 0.9899 0.8816 1.0101 1.3056 0.6943 0.6943 0.6943 0.6943 0.6943 0.6943 1.0371 0.6843 0.6951 0.4861 1.1856 1.2552 1 0.4861 0.4861 0.4861 0.4861 0.4861 0.6943 0.6943 0.6943 0.6943 0.6943 0.6943 1-carboxyethylvaline 1-Carboxyethylvaline 0.7888 0.7888 0.7888 0.7888 0.7888 0.7888 0.9307 0.7888 1.3429 1.0693 0.9062 1.3974 0.7888 0.7888 0.7888 0.7888 0.7888 0.7888 0.6698 0.6667 0.6618 0.6618 1.3696 1.3302 1.6086 0.6618 0.6618 0.6618 0.6618 0.6618 0.7888 0.7888 0.7888 0.7888 0.7888 0.7888 1-dihomo-linolenylglycerol (20:3) MG 20:3/0:0/0:0 0.9635 0.3877 0.8374 0.7446 1.5374 1.0308 0.8226 1.1871 0.7512 0.5708 1.9334 0.8232 1.4634 0.4143 1.0229 1.5204 4.8044 0.7880 3.5306 0.9885 0.6372 1.0115 0.7739 0.8645 0.5994 1.5528 1.9120 0.6130 1.6797 1.4526 1.7877 1.1243 1.1355 1.2119 0.9196 0.9771 1-docosahexaenoylglycerol (22:6) MG 22:6 0.8934 0.3731 0.8396 0.6520 1.0791 0.8384 0.7623 1.0661 0.7805 0.5974 2.1585 0.8637 1.3680 0.4143 1.0660 1.7078 6.7561 0.7897 3.1474 0.9738 0.6412 1.0900 0.6766 0.7938 0.3566 1.3247 1.4718 0.5078 1.3462 1.0262 1.3243 1.2035 1.3286 1.3172 1.1532 0.9340 1-eicosapentaenoylglycerol (20:5)* MG 20:5 0.2640 0.2640 0.9314 1.0124 0.7900 0.7838 0.5937 1.1689 0.7516 0.6241 2.5413 0.8982 0.2640 0.2640 0.9876 1.2062 4.9655 0.2640 3.6360 0.9419 0.6445 1 0.5961 0.8499 0.5961 2.1406 1.9892 0.8984 2.2129 1.6345 1.3806 1.5662 1.9957 1.9547 1.3532 0.8196 1-heptadecenoylglycerol (17:1)* MG 17:1/0:0/0:0 1.0089 0.5315 1.1003 0.8324 1.4840 0.9525 0.8479 1.3890 1.0028 0.8067 2.5193 0.8893 1.3701 0.4751 0.9211 1.5185 4.7588 0.7659 3.2466 0.9858 0.7826 1.0142 0.7209 0.9638 0.7947 2.3200 2.9413 0.9677 2.5207 1.9781 1.4518 0.9972 1.0029 0.9959 1.0878 0.9447 1-linolenoylglycerol (18:3) MG 18:3 0.8414 0.2494 1.0293 0.8022 0.7838 0.5971 1.0057 1.2253 1.0364 0.8352 3.3523 0.2494 1.7500 0.2494 0.8712 1.7641 6.3655 0.2494 0.2494 0.9602 1.1309 0.2494 0.2494 0.9943 1-linoleoylglycerol (18:2) MG 18:2 0.9423 0.4817 1.0072 0.8669 1.2321 0.9375 0.9058 1.2549 0.9154 0.7499 2.4538 0.9064 1.4160 0.4820 1.0269 1.4224 5.0648 0.7266 2.3907 0.9992 0.6374 1.0008 0.6439 0.8173 0.3690 2.0932 2.3854 0.8758 2.3514 1.6306 1.3124 0.9928 1.0953 1.0864 1.0452 0.8489 1-linoleoyl-GPI* (18:2)* LPI 18:2/0:0 0.7694 0.4784 1.9671 0.7579 1 0.6837 1.0062 0.4784 0.4784 0.4784 0.4784 0.5385 1.2657 0.7697 1.1378 1.7607 6.2497 0.4784 1.8183 0.3341 0.6383 0.8007 0.1824 1 0.1824 1.5050 1.7732 1.0658 3.9669 0.9460 0.4784 1.1159 0.7110 0.4784 0.6466 1.0015 1-margaroylglycerol (17:0) MG 17:0 0.9962 0.4445 0.9544 0.6276 1.7904 1.0038 0.7900 1.2440 1.3576 0.6323 2.7020 0.7070 1.6528 0.3450 1.0160 0.7759 2.8002 0.7054 1.4123 0.5542 0.6143 1.1113 1.1858 1.1054 1-meadoylglycerol (20:3n9)* MG 20:3/0:0/0:0 2.5013 1.0267 0.4323 0.9733 0.8551 0.7083 0.8588 1.1371 2.5473 0.8186 1.7697 1.3230 1-myristoylglycerol (14:0) MG 16:3 0.8908 0.6351 1.1378 0.8405 1.1671 1.0089 0.8117 1.0782 0.9692 0.8089 2.3776 0.7562 1.3270 0.4420 1.0456 1.2440 4.4799 0.8694 2.5539 0.9623 0.5327 0.8768 0.5781 0.7940 0.6049 2.3446 2.4428 1.0377 2.2476 1.6915 0.9911 0.9120 1.0113 0.8724 1.0185 1.0668 1-oleoylglycerol (18:1) MG 18:1/0:0/0:0 1.0738 0.4366 0.4290 0.3533 2.1793 1.1323 0.3536 0.4474 1.0031 0.3431 1.0126 0.3285 2.0736 0.1915 1.3559 0.5002 2.0938 0.9969 0.9770 1.5820 0.2019 0.9791 1.0944 0.3874 1.4121 0.7982 4.6650 1.3756 1.0209 0.5331 2.0388 0.4048 0.4049 1.8281 1.6361 1.2169 1-palmitoleoylglycerol (16:1)* MG 16:1 0.9949 0.6127 1.0933 0.8699 1.2861 0.9441 0.7447 1.0971 0.9290 0.7173 2.4581 0.7716 1.1606 0.4097 0.9359 1.1242 4.7888 0.6978 0.7845 0.0428 0.1863 0.0428 0.0428 0.0428 0.6162 2.0799 2.4847 1 2.4758 1.7536 1.1576 1.0051 1.0503 1.0471 1.0205 0.9948 1-palmitoylglycerol (16:0) MG 16:0/0:0/0:0 0.9884 0.5548 0.9027 0.7655 1.8217 1.0177 0.7838 0.9295 1.0383 0.7085 2.0819 0.8099 1.6184 0.4249 1.1004 1.3723 3.6026 0.8261 2.1999 0.9671 0.4751 0.9450 0.6863 0.6788 0.9499 1.7360 2.7066 1.0329 1.8845 1.3680 1.3662 0.7568 0.7975 1.1212 1.1545 1.0116 1-palmitoyl-GPG (16:0)* LPG 16:0/0:0 1.0009 0.6820 2.5027 1.0269 0.6820 0.7458 1.3518 0.6820 0.7390 0.6887 1.5202 0.9394 0.8545 0.6820 0.7962 0.6820 3.8104 0.6820 1.9484 0.6880 0.4874 0.7483 0.4693 0.8311 0.4242 2.2673 2.7105 1.1689 2.8328 2.0555 0.9424 1.4895 1.2388 1.1719 0.9991 0.6820 1-palmitoyl-GPI* (16:0) LPI 16:0/0:0 0.6098 0.4558 1.7373 0.8921 1.1312 0.8242 0.7238 0.3490 0.3997 0.2615 0.7896 0.4635 1.1611 0.6021 1.1079 1.2085 6.1237 1.1138 2.0568 1.0182 0.5692 0.7314 0.4569 1.0806 0.3282 1.6492 1.9623 0.8801 1.8991 0.9818 0.5599 1.5736 1.4389 2.1903 1.2512 1.1846 1-palmitoyl-GPS (16:0)* LPS 16:0/0:0 1.7248 0.2752 0.2752 0.2752 0.2752 0.6974 0.2752 1.3026 1.7225 0.5545 1.7098 0.5805 1-pentadecanoylglycerol (15:0) MG 15:0 0.9777 0.6287 1.4649 0.9260 1.2354 0.9990 1.2050 1.4768 1.2566 0.9833 3.4405 1.1063 1.3346 0.5090 1.0010 1.3944 5.2472 0.6901 2.7478 1.0364 0.7361 0.9636 0.5676 0.7386 0.3560 1.9782 2.0707 0.7106 2.6048 1.7220 1.0927 0.9383 0.9972 0.7948 0.9927 0.9744 1-stearoyl-GPG (18:0) LPG 18:0/0:0 0.4570 0.4312 1.7658 0.6847 0.3700 0.7139 0.9643 0.3700 0.3700 0.5569 0.9820 0.7494 1.3127 0.3700 0.7588 1.1269 6.6081 1.0180 2.9298 0.9447 0.6990 1.0383 0.6188 1.1495 0.6188 1 1.6471 0.6663 1.5626 0.8635 0.3700 1.5498 1.3768 1.9877 1.4150 1.1096 2_3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)* 2,3-Dihydroxy-5-methylthio-4-pentenoic acid 0.9860 0.9415 0.8058 0.8846 0.8710 0.6671 3.4777 2.5720 3.2379 2.8997 2.5017 3.8429 1.5604 1.2240 0.9608 0.9128 0.7103 1.1004 1.0831 0.8459 0.7773 1.1055 1.0140 0.9164 2_3-diphosphoglycerate 2,3-Diphosphoglyceric acid 0.9374 1.4589 0.9632 1.1180 1.7109 1.3358 0.5926 0.5926 0.5926 0.5926 0.5926 0.5926 1.4638 0.6073 0.9648 0.8250 0.9088 1.1965 0.5944 0.8723 1.1519 1.0352 0.5926 1.0565 2_4-di-tert-butylphenol 2,4-Ditert-butylphenol 0.8164 0.4650 1.0373 0.9023 1.0350 1.0447 1.3903 0.9650 1.2450 0.7950 2.9099 1.1920 1.9057 0.5700 1.1836 1.1753 4.5821 0.7918 3.0542 1.3333 0.5588 1.1532 0.6716 0.8468 0.2409 1.4893 1.7271 0.7976 1.3911 0.6732 0.5648 0.8284 0.5843 1.7110 0.8253 0.8157 2^-AMP Adenosine 2'-phosphate 0.7926 0.4436 0.5311 0.4436 0.5109 0.6752 2.3028 1.9339 1.3680 1 1.7135 1.1359 2-arachidonoylglycerol (20:4) MG 20:4 0.8987 0.4380 0.9623 0.8705 1.1313 0.9377 0.9091 1.2190 0.9186 0.6796 2.6526 1.0213 1.3810 0.6155 0.9787 1.4458 6.4533 0.8567 3.4419 0.9607 0.6772 1.0393 0.6396 0.8857 0.3564 1.5779 1.5306 0.5322 1.5256 1.1282 1.3148 1.2689 1.4673 1.1609 1.0769 0.9241 2^-deoxyadenosine 3^-monophosphate 1.4281 0.5582 0.8951 0.5996 0.6151 1.1576 0.5582 0.5582 0.5582 0.5582 2.4772 1.1049 2^-deoxyguanosine Deoxyguanosine 0.7839 0.7839 0.7839 0.7839 0.7839 0.7839 0.9353 0.8133 1.0647 1.2163 0.7839 1.3524 0.7839 0.7839 0.7839 0.7839 0.7839 0.7839 1.8440 0.5894 1 0.5894 0.9668 1.5846 0.7187 0.5894 0.7589 0.5894 4.4293 2.3647 0.7839 0.7839 0.7839 0.7839 0.7839 0.7839 2^-deoxyinosine Deoxyinosine 1.0128 1.7105 0.7681 1.3244 1.0135 0.7643 2.8210 2.6334 3.4949 2.9053 2.7443 4.0499 1.4493 1.3512 0.7858 0.7575 0.5647 0.9872 1.6749 0.6602 1.0146 0.6625 0.9854 1.4066 1.0554 0.6982 0.9046 0.8469 3.4824 2.7237 0.7015 0.4616 0.4697 0.6470 0.7196 0.5212 2^-deoxyuridine Deoxyuridine 0.7758 0.7758 0.7758 0.7758 0.7758 0.7758 1.0520 0.7758 1.6463 0.9480 0.8544 1.6235 0.7758 0.7758 0.7758 0.7758 0.7758 0.7758 1.2936 0.9536 0.9136 1.0464 1.1209 1.5967 0.7700 0.6079 0.5873 0.5860 1.1689 1.2633 0.7758 0.7758 0.7758 0.7758 0.7758 0.7758 2-docosahexaenoylglycerol (22:6)* MG 22:6 0.7199 0.3731 1.0521 0.7845 1.0108 0.6667 1.0052 1.1738 0.8392 0.6714 2.7006 0.9948 1.3689 0.6253 1.0449 1.7620 7.4652 0.7120 3.7426 1.1209 0.7384 1.2362 0.7005 0.9127 0.3356 1.5238 1.4409 0.4492 1.0873 0.8524 1.2021 1.1769 1.5538 0.9626 0.9463 0.9151 2-eicosapentaenoylglycerol (20:5)* MG 0:0/20:5/0:0 4.1051 0.9627 0.7964 1 0.6884 0.9967 0.4892 2.3106 1.9082 0.4892 1.8363 1.4609 2-heptadecenoylglycerol (17:1)* MG 0:0/17:1/0:0 3.2293 0.9705 0.6361 1.0295 0.5547 0.7673 0.5464 2.1902 2.1424 0.7815 1.8685 1.5889 2-hydroxyarachidate* 2-Hydroxyeicosanoic acid 0.4991 0.2538 0.5324 0.8072 0.6757 0.4233 1.4225 0.8084 0.7526 0.5080 2.4917 0.7921 1.3320 0.9824 1.7865 2.0751 6.7282 1.2316 1.0176 0.8342 1.0269 1.3318 1.1474 1.3202 2-hydroxybehenate 2-Hydroxy behenic acid 0.5381 0.3137 0.6385 0.7143 0.7194 0.8389 1.2341 1.0172 1.0253 0.9128 2.0430 0.9687 2.0032 0.6488 1.4195 1.5981 6.6709 1.1673 0.6988 1.0128 1.0148 0.9741 0.9872 1.0626 2-hydroxyoleate 2-Hydroxyoleic acid 0.9599 0.4720 0.9854 0.7743 0.7502 0.6388 1.8068 1.1687 1.2163 0.7723 2.5985 1.5176 1.3047 0.4720 1 0.5440 4.6493 0.8121 1.4336 0.9769 0.9901 1.0573 1.1171 1.1866 2-hydroxypalmitate 2-Hydroxypalmitic acid 1.0377 0.6500 0.8239 0.8608 1.0070 0.8116 1.4753 0.9930 1.0515 0.7704 1.6018 0.9168 1.9509 0.6101 1.3307 1.4166 4.6554 0.9866 2.3595 1.0063 0.7575 0.9937 0.6479 0.9155 0.5806 1.8295 1.7993 0.8350 1.9072 1.3113 1.2174 0.7927 0.9596 0.9591 1.0731 1.0139 2-hydroxystearate 2-Hydroxystearic acid 1.0347 0.5084 0.9680 0.7058 0.7469 0.6246 1.5039 0.8488 1.1924 0.5438 1.7895 1.4035 1.0320 0.4990 0.9102 1.2173 5.3310 0.6432 2.1036 1.3461 0.9807 1.1623 0.5252 1.0057 0.4735 1.4047 0.9943 0.5009 1.0968 0.8107 1.3830 0.9224 0.8440 1.4008 1.1825 1.5925 2-linoleoylglycerol (18:2) MG 18:2 0.8978 0.4398 1.1361 0.9594 1.1348 0.8302 0.9546 1.2900 1.0278 0.8243 2.9549 1.0716 1.3246 0.5403 0.9808 1.5376 5.9645 0.7006 3.1419 0.9712 0.6135 1.0288 0.6225 0.8526 0.5322 2.1405 2.1102 0.7361 1.9202 1.4867 1.0685 1.0192 1.0910 0.8493 0.9262 0.8873 2-methylcitrate/homocitrate Homocitric acid 0.5378 0.5340 0.6028 0.5745 0.6442 0.5765 1.8140 1.4181 1.5532 1.9258 1.8243 2.0133 1.4978 1.2136 0.8354 1.0174 0.8895 1.0493 1.0296 0.5479 0.7272 0.4703 0.6470 0.7670 1.2714 0.9704 1.0348 1.0528 1.2737 1.3686 0.9482 1.0397 0.9214 0.9501 0.9826 1.2256 2-myristoylglycerol (14:0) MG 0:0/14:0/0:0 0.8877 0.5229 1.2123 0.9966 1.0740 0.9239 1.1010 1.2702 1.0876 1.0158 3.2000 1.0173 1.1360 0.5426 0.9225 1.1781 4.9199 0.6923 3.4236 0.9902 0.6193 1.0098 0.5893 0.8510 0.5093 2.7868 2.2151 0.8019 2.0001 1.5958 0.8199 0.8750 1.0034 0.6847 0.8586 0.9134 2-oleoylglycerol (18:1) MG 0:0/18:1(9Z)/0:0 0.9739 0.4577 1.0060 0.9142 1.6611 0.9276 0.9524 1.3719 1.1320 0.8367 2.9349 0.9156 1.7534 0.4801 1.0935 1.5578 5.1651 0.7159 2.8205 1.0123 0.4844 0.9877 0.7117 0.7341 0.8532 1.8422 2.7141 0.8126 1.8549 1.3825 1.6556 0.9042 0.9503 1.1486 1.1958 0.9940 2^-O-methyluridine 2'-O-Methyluridine 0.5036 0.5036 0.5036 0.5036 0.5036 0.5036 1.4862 1 1.2633 1.3468 1.2179 1.5852 0.5036 0.5036 0.5769 0.5036 0.5036 0.5036 0.6805 0.5036 0.5036 0.5971 0.7586 0.5036 2-palmitoleoylglycerol (16:1)* MG 16:1 0.9600 0.4813 1.2470 1.0682 1.1307 0.9474 1.0018 1.2738 1.0606 0.9082 3.2855 1.0137 1.2129 0.4541 0.8305 1.2879 4.9332 0.5207 2.3452 1.2848 0.4462 0.6467 0.2875 0.3068 0.4065 2.4119 2.0045 0.7152 1.8820 1.5504 0.9964 0.9982 1.1418 0.8045 0.9682 0.8733 2-palmitoleoyl-GPC* (16:1)* LPC 0:0/16:1 0.2122 0.2122 1.5431 0.6443 0.2122 0.6090 1.6604 0.2122 0.6779 0.2122 1.3029 0.2122 1.9019 0.2122 1.5262 1.2863 6.3070 0.6292 0.5886 1 0.5591 1.8667 0.2122 0.8335 2-palmitoylglycerol (16:0) MG 0:0/16:0/0:0 0.8288 0.5261 1.0875 1.0511 1.5162 0.8443 1.1305 1.3146 1.1588 1.0611 3.2539 0.9162 1.4155 0.4660 0.9489 1.3881 4.3878 0.6048 3.2599 0.9624 0.6718 1.0376 0.6530 0.8387 0.7708 2.5594 2.5806 0.8211 1.9754 1.7270 1.1529 0.7246 0.7789 0.7060 0.9348 0.9292 2-palmitoyl-GPC* (16:0)* LPC 0:0/16:0 0.7215 0.4701 1.0180 0.8828 0.8595 0.8427 1.3253 0.6136 0.6484 0.5589 2.0152 0.7491 1.5410 0.6778 1.1151 1.2768 5.9620 1.0377 2.7847 1.1046 0.6602 1.0266 0.5979 0.9734 0.2844 1.3373 1.8806 0.7243 2.2902 0.8826 0.5511 1.5577 1.3391 1.5223 1.1617 0.9820 2-stearoyl-GPE (18:0)* LPE 0:0/18:0 0.6434 0.6119 2.8051 0.9258 0.8583 0.8234 1.5984 0.5125 0.9543 0.9500 3.8751 0.8794 1.2733 0.5544 1.0457 0.9134 5.8845 1.1260 3.2307 1.3518 0.6417 1.0170 0.6302 1.5114 0.1474 0.9830 1.3757 0.5883 1.8582 0.6251 0.4086 2.0634 1.3608 1.8036 1.4463 1.5590 3-(4-hydroxyphenyl)lactate (HPLA) 4-Hydroxyphenyllactic acid 0.4332 0.6618 0.5316 0.2884 0.7309 0.3107 1.7915 1.4670 1.2691 1.5343 1.8042 2.2448 2.9955 2.6632 2.0103 2.0101 1.8057 2.2237 1.3367 1.1394 1.0919 1.2429 1.1748 1.2534 0.9081 0.8014 0.7979 0.6816 0.8563 0.8799 0.4059 0.3699 0.3537 0.3563 0.4700 0.3730 3^-AMP 3'-AMP 0.8682 0.7622 0.9440 0.9191 0.8621 1.0467 1.1336 1.2063 1.0363 1.0095 0.9905 1.0534 3^-dephospho-acetyl-CoA 0.2443 0.2443 0.2443 0.2443 0.2443 0.2443 3.0777 1.3217 1.0088 0.6555 0.7866 1.2330 0.2443 0.2443 0.2443 0.2443 0.2443 0.2443 0.9912 0.5423 0.2443 1.0460 1.1505 0.9157 3^-dephosphocoenzyme A 3'-Dephospho-CoA 0.7984 1.3139 0.7424 0.9513 1.4836 1.0256 1.3017 1.1013 1.6468 1.3385 1.1008 1.4824 0.9525 0.8223 0.6537 0.6169 0.4907 0.8100 1.0610 0.7132 0.9692 0.8905 1.1960 1.0308 0.7592 0.7132 0.7191 0.7132 1.0914 1.0312 0.8439 1.1876 0.9744 1.2173 0.9213 1.2214 3-hydroxy-2-ethylpropionate 2-Ethyl-hydracrylic acid 0.5691 0.9651 0.6539 0.4514 0.8484 0.4514 2.1638 1.5406 1.9156 2.4131 1.8254 3.2385 0.4514 1.2128 0.4514 0.4514 0.5202 0.8396 0.4514 1.1966 0.4514 0.7361 0.4520 1.0349 3-hydroxyhexanoate 3S-Hydroxyhexanoic acid 0.7547 1.1541 0.7903 1.0186 0.6527 0.7066 2.2905 2.0148 1.4671 1.9564 1.2786 1.6845 1.6525 1.3662 1.1370 0.9814 0.6335 0.9193 0.4272 0.3702 0.3702 0.6968 0.6993 0.3702 3-hydroxylaurate 3-Hydroxydodecanoic acid 0.8952 0.6575 1.2801 0.6575 1.6236 1.0708 0.7198 0.6575 0.7560 0.6575 0.6575 0.7403 1 1.5575 0.6575 1.1201 1.5898 0.6575 0.7504 0.7504 0.9374 0.8433 0.7867 0.9235 1.4709 1.3953 1.6552 1 1.5444 1.2098 0.6575 0.6575 0.6575 0.6575 0.6575 0.8486 3-hydroxyoctanoate 3-Hydroxyoctanoic acid 0.6360 0.6360 0.6360 0.6360 0.6360 0.6360 0.6360 0.6360 1.3640 0.6360 0.6360 0.6360 3-hydroxystearate 3-Hydroxystearic acid 0.9684 0.5053 1.6304 0.8786 0.8180 1.1726 1.2326 0.4264 0.4264 0.6458 0.4264 0.9927 2.0926 1.0073 2.0730 1.1485 3.8071 0.4264 0.5983 1.0268 0.7015 0.6435 1.1264 0.4264 3-methyl-2-oxovalerate 3-Methyl-2-oxovaleric acid 1.1206 0.9958 1.1191 1.7721 1.2037 0.9066 1.1118 0.7708 0.6776 0.6770 0.8354 1.1693 6.1931 1.7527 1.0031 0.8343 0.7574 0.6770 1.4452 1.2458 1.2064 1.3413 1.2001 1.1470 0.7942 0.4943 0.8530 0.6735 0.4583 0.4645 1.0590 0.8048 0.6770 0.6770 0.6770 0.9969 4-chlorobenzoic acid 4-Chlorobenzoic acid 0.9321 0.7315 0.8822 0.7643 0.7337 0.9557 1.2585 1.1086 1.0443 1.1295 1.3059 1.2756 4-hydroxyphenylacetate 4-Hydroxyphenyl acetate 1.6606 1.6103 0.6234 0.6202 0.5341 0.5341 1.4051 1.0203 1.4773 1.5864 1.3854 2.1474 1 0.9256 0.5341 0.7269 0.5341 0.5341 0.5341 0.5341 0.6971 0.7201 0.5341 0.7365 4-hydroxyphenylpyruvate 4-Hydroxyphenylpyruvic acid 1.0560 0.8512 0.8318 1.3396 0.8872 0.9270 1.1721 1.0103 1.4050 0.9023 0.9897 1.3904 4-methyl-2-oxopentanoate Ketoleucine 1.2226 1.7740 0.9551 1.2465 1.0112 3.1971 0.8635 0.7558 0.5721 0.4967 0.5496 0.9829 1.3592 3.7747 1.2102 0.8924 0.8297 0.4967 1.4683 1.3542 1.2950 1.5237 1.3566 1.3299 0.7050 0.5435 0.6651 0.4023 0.4839 0.5331 0.8899 0.4967 0.4967 1 3.1587 2.6274 4-methylcatechol sulfate 0.9455 0.6681 0.9499 1.0229 0.9771 0.8883 0.9087 1.2868 1.0377 1.0415 1.2095 1.4003 5-dodecenoate (12:1n7) 5-Dodecenoic acid 1.1391 0.3582 0.5426 0.4454 0.3582 0.9784 1.5058 1.0468 0.8009 1.3541 2.0892 1 5-methyltetrahydrofolate (5MeTHF) 5-Methyl-THF 1.3238 1.0696 1.0894 0.7405 1.0677 1.5420 0.9629 1.0371 0.8543 0.7253 0.8898 0.8910 5-methyluridine (ribothymidine) Ribothymidine 1.4741 1.0966 0.8152 0.3406 1 1.6132 0.5220 0.3406 0.3406 0.3406 0.3406 0.3406 5-oxoproline Pyroglutamic acid 0.8242 0.6692 0.6866 0.5903 0.8377 0.6050 4.2107 1.9391 3.4493 3.8208 3.0776 4.1581 1.8825 1.5694 1.3658 1.2310 1.0073 1.4521 0.9057 0.8685 0.7912 0.8463 0.9251 0.8978 1.4666 1.1915 1.2505 1.1388 1.0749 1.1483 0.8909 0.9142 0.7456 0.9927 0.9546 0.9402 acetyl-CoA Acetyl-CoA 0.4784 0.4701 0.4145 0.5549 0.2533 0.2889 4.9097 2.3161 2.3737 1.7658 1.7113 2.9078 0.9208 1.1253 0.6663 0.6556 0.5616 0.9611 1.0675 0.7313 0.9648 1.0401 0.9742 1.0258 0.7313 0.7313 0.7313 0.7313 0.7313 0.7313 1.8971 1.0389 0.7845 1.5058 1.6338 1.2413 aconitate [cis or trans] cis-Aconitic acid 0.5756 0.4209 0.5098 0.6172 0.5037 0.4140 1.2742 1.0875 0.8515 0.6922 0.7623 1.2807 1.5462 1.5599 1.1330 1.1791 1.1491 1.4775 0.6918 0.5080 0.6043 0.7333 0.6705 0.7744 1.4774 1.3130 1.6675 1.5809 1.2256 1.3767 1.1881 1.0014 0.8598 1.0581 0.9986 0.9139 adenosine 3^_5^-cyclic monophosphate (cAMP) 3',5' cyclic AMP 0.8993 0.8610 0.9566 0.9504 1.1192 0.9014 1.5165 0.9623 1.3525 1.0664 1.1806 1.3328 1.3992 1.0376 0.8017 0.9624 0.7290 1.1448 1.1669 1 1.4722 1.0598 1.2992 1.3517 0.6211 0.6211 0.9845 0.6810 0.9299 0.7604 0.8115 0.8554 1.0749 1.1183 1.1361 0.9422 adenylosuccinate Adenylsuccinic acid 1.1506 0.6586 0.8650 1.1685 0.9746 0.4667 3.1706 2.2073 2.4801 2.7564 3.3983 4.4633 1.3325 1.7559 1.1425 0.8872 0.5442 0.4667 1.0309 1.2325 0.9691 1.5459 1.2014 0.8872 1.4859 0.8008 1.2714 0.8637 0.3377 0.4998 0.9757 0.8955 0.5819 1 0.8060 0.9497 adrenate (22:4n6) Adrenic acid 0.4274 0.3529 0.9964 0.5006 0.6789 0.5367 1.1894 0.7489 0.6147 0.5076 1.6204 0.7686 1.2990 0.3407 1.2587 1.4854 9.7813 0.8810 2.6988 1.3715 0.4730 1.0784 0.7959 0.9216 0.2817 2.2905 2.1828 0.8529 1.6305 0.8983 1.0102 1.0036 1.0549 1.3805 1.2171 1.1749 arachidate (20:0) Arachidic acid 0.8604 0.4873 1.1904 0.9698 1.0832 0.9141 0.9803 0.9945 0.9731 0.7587 2.4379 0.9312 1.7964 0.6626 1.2112 1.6682 6.5631 0.9257 2.2411 0.9697 0.5778 1.0303 0.6323 0.8100 0.5385 1.9667 2.1977 0.8574 1.8887 1.3220 1.1362 1.0055 1.0221 0.9789 1.0893 1.0725 azelate (C9-DC) Azelaic acid 0.8115 0.6187 0.8416 0.7375 0.5476 1.0880 1.1760 1.1629 1.1586 0.9120 1.8179 1.8285 behenate (22:0)* Behenic acid 2.3044 1.4908 0.5483 1.0143 0.9830 0.7732 0.8706 1.6705 3.1454 0.9158 1.3191 0.9857 benzoate Benzoic acid 0.8123 1.2036 1.2838 1.2524 1.1060 1.7125 0.9630 0.7564 0.6456 0.6304 0.5378 0.6792 1.1050 1.1242 1.7069 1.1144 1.0370 1.3152 0.5523 0.8474 0.9237 0.8996 1.1238 0.8923 beta-citrylglutamate Beta-Citryl-glutamic acid 1.0032 0.9650 0.8115 1.0964 1.0136 0.7424 4.1110 2.9133 3.8838 3.6732 3.4962 4.3815 1.4251 1.3649 0.9968 1.0504 0.7303 0.9678 0.9761 0.7769 0.7737 0.8705 0.9793 0.8095 beta-hydroxyisovalerate 3-Hydroxyisovaleric acid 1.2862 1.8569 0.9832 0.8193 1.1165 0.7340 2.8067 1.4734 1.9502 1.5428 1.3819 2.3050 1.3729 1.1546 1.0168 0.9486 0.6768 0.8822 1.2252 0.7737 1.0948 0.5341 0.6163 0.8269 1.0182 0.9818 1.0424 1.2002 1.1637 0.7645 0.4376 0.4972 0.4423 0.5010 0.4894 0.7007 biopterin Biopterin 0.6466 0.7678 0.5451 0.6806 0.8946 0.6000 1.2066 0.9403 1.2864 0.9435 1.0553 1.2388 2.5575 1.6858 1.8400 1.7766 1.3824 2.4223 0.8852 0.8285 0.9796 1.0439 0.9974 1.0026 caproate (6:0) Caproic acid 0.8546 0.4156 1.0032 3.7490 1.6128 0.4156 1.3219 0.4885 0.4156 0.5324 0.7062 0.8027 0.4156 1.8446 0.4156 1.1048 1.5443 2.3585 1.2375 0.8266 0.7931 0.6604 0.5681 1.3215 1.0314 1.0913 1.1885 1.1425 0.7024 0.9686 0.6061 2.9937 0.9070 0.9968 0.4156 0.4156 caprylate (8:0) Caprylic acid 1.4248 0.9710 1.0129 1.5852 0.9697 0.7871 0.9871 0.8366 0.5699 0.8740 0.6055 1.2948 2.2904 1.5839 0.9609 1.9550 1.4127 1.8570 1.5009 1.5192 1.5341 0.6927 0.5101 0.8414 catechol sulfate Catechol sulfate 1.1132 0.7474 0.7702 1.2222 1 0.7474 0.7474 0.7474 0.7474 1.5516 0.7474 0.9471 citrate Citric acid 0.5559 0.3779 0.4843 0.6060 0.5029 0.3972 1.2432 0.9835 0.6723 0.4380 0.6236 1.1782 1.5537 1.7554 1.1538 1.2087 1.2554 1.7067 0.6664 0.4764 0.5971 0.7295 0.6071 0.8028 1.2597 1.1972 1.4053 1.3388 1.2282 1.4006 1.2339 1.0165 0.8035 1.1844 1.0805 0.9240 CoA Coenzyme A 0.8225 0.8409 0.6482 0.8301 0.9235 0.7140 1.8943 1.3509 2.4467 1.9794 1.7579 2.3551 1.2701 1.1349 0.8435 0.7692 0.6575 0.7924 1.5332 1.2566 1.3257 1.2764 1.5741 1.5225 0.7240 0.4773 0.5514 0.5302 0.7434 0.4966 1.0572 0.9931 1.0069 1.0450 1.0515 0.9744 cysteine sulfinic acid 3-Sulfino-alanine 0.8221 0.7449 0.9303 1.0762 0.6773 0.4972 2.0492 1.4373 1.1961 1.6671 1.4163 1.6487 1.4354 1.4305 0.9661 1.4096 1.0339 1.0464 0.8410 0.8270 0.8527 0.7387 0.7818 0.7028 dexamethasone Dexamethasone 2.3889 1.1479 0.9825 1.0175 0.8103 0.8534 1.6257 1.0389 1.0436 0.7777 0.8976 0.9088 dihomolinoleate (20:2n6) 11Z,14Z-Eicosadienoic acid 0.6088 0.3421 0.9732 0.5862 0.7289 0.6608 1.2082 0.9983 0.9269 0.7588 2.8871 0.9308 1.2284 0.5455 1.1552 1.6419 11.0819 0.8320 2.6910 1.0241 0.5167 1.0205 0.6230 0.8489 0.3987 1.8937 1.7815 0.7237 1.4346 0.9795 1.0017 1.5869 1.7625 1.8808 1.4983 1.2088 dihomolinolenate (20:3n3 or 3n6) Eicosatrienoic acid 0.6044 0.3087 0.8298 0.6076 0.7172 0.6708 1.0995 0.7471 0.7706 0.5514 2.4588 0.8081 1.8578 0.5092 1.9316 1.7402 20.1776 1.2502 3.5543 0.7759 0.5447 1.0726 0.3566 0.9274 0.2726 3.2124 1.8205 0.6882 2.3286 1.1755 0.9005 1.4529 1.5242 2.4542 1.6924 1.3156 docosadienoate (22:2n6) 13Z,16Z-Docosadienoic acid 0.7051 0.4101 1.0068 0.7319 0.8497 0.7145 1.8161 1.7853 1.4190 1.2577 4.0611 1.4231 0.9342 0.3556 0.6503 0.9675 3.9041 0.4842 2.7400 0.9854 0.5684 1.0146 0.6336 0.9051 0.5312 2.5523 2.1445 0.8166 1.8540 1.3098 1.1579 0.9932 1.1100 0.9704 1.0934 1.0207 docosahexaenoate (DHA; 22:6n3) DHA 0.9105 0.4502 1.1151 0.8572 0.9101 0.9973 1.7783 1.4275 1.6060 1.2154 5.0359 1.6483 1.1984 0.3750 1 1.0921 8.4824 0.5804 3.1855 1.1636 0.4738 1.2706 0.6518 0.8007 0.3172 2.0709 2.2648 0.6965 1.4076 0.8364 0.8270 0.7895 0.7998 0.8110 1 1.0237 docosapentaenoate (DPA; 22:5n3) DPA 0.7299 0.3718 1.0363 0.6819 0.7810 0.7742 1.5584 1.2054 1.3412 0.9532 4.0957 1.3504 1.6310 0.5513 1.3882 1.6817 11.1721 0.9172 2.9465 1.1462 0.4976 1.2016 0.6626 0.8538 0.2927 1.7234 1.9423 0.6491 1.3008 0.7614 0.8332 0.9445 0.9718 1.0062 1.0758 0.9938 docosatrienoate (22:3n6)* 10Z,13Z,16Z-Docosatrienoic acid 0.5046 0.3033 0.9304 0.6036 0.6798 0.6119 1.4126 1.2030 1.0828 0.7324 3.3060 1.0661 1.1586 0.4646 0.9365 1.5409 10.1343 0.6597 3.0272 0.9959 0.5079 1.0041 0.6085 0.7913 0.4331 2.3189 2.4183 0.7981 1.9084 1.2011 0.9983 1.0017 1.2171 1.0684 1.0708 0.9379 dodecadienoate (12:2)* Dodecadienoic acid 0.8813 0.8813 0.8813 0.8813 0.8813 0.8813 0.8813 1.1187 0.8813 0.8813 0.8813 0.8813 eicosapentaenoate (EPA; 20:5n3) EPA 0.7898 0.4274 0.8885 0.7905 0.8544 0.7096 0.7917 0.6031 0.6357 0.4735 1.8323 0.6506 1.8078 0.9386 2.0199 2.5071 22.4571 1.4947 2.7803 1.0126 0.4383 1.0401 0.5329 0.8009 0.4624 2.4171 2.8614 0.8726 1.5333 0.9874 1.0614 3.0468 3.1316 4.1880 2.1105 1.6046 eicosenoate (20:1n9 or 1n11) cis-Gondoic acid 0.7142 0.4447 1.1057 0.7745 0.8495 0.7481 1.2307 1.1054 1.0784 0.8845 2.9877 0.9531 1.2085 0.4578 0.9089 1.1923 5.5103 0.6465 2.6155 1.0225 0.5464 0.9775 0.5926 0.8271 0.4149 1.8652 1.8749 0.6833 1.6000 1.0908 0.9555 0.9877 1.0586 1.0123 1.1347 1.0672 erucate (22:1n9) cis-Erucic acid 0.7952 0.4542 1.0789 0.7891 1.0095 0.8106 1.2288 1.3293 1.1051 0.9352 2.8956 1.0822 1.3010 0.4393 0.8581 1.2325 4.6682 0.5973 2.5314 0.9797 0.5474 1.0203 0.6355 0.8095 0.4790 1.8791 1.9654 0.6624 1.4682 1.0620 1.2420 0.9301 0.9905 0.9152 1.0830 0.9819 FAD FAD 0.8851 1.0298 0.9080 1.0290 1.2932 1.0249 1.2290 0.8446 1.0989 0.9255 0.9189 1.1505 1.3809 1.3401 1.0491 1.0902 0.9584 1.2211 0.9589 0.7963 0.8502 0.8785 0.7864 1.0281 1.0874 0.9719 1.0468 1.0772 1.2027 1.2147 0.8481 0.9201 0.9751 0.9552 0.8289 0.8791 gamma-glutamyltryptophan gamma-Glutamyltryptophan 0.6668 0.6668 0.6668 0.6668 0.6668 0.6668 1.2591 0.6668 0.9934 1.1130 0.9955 1.0045 0.6668 0.6668 0.6668 0.6668 0.6668 0.6668 0.6668 0.6668 0.6668 0.6668 0.6668 0.6668 glycerol Glycerol 1.1968 1.7623 0.9453 1.1155 1.2259 1.6311 0.8380 0.4050 0.2628 0.1773 0.2991 0.5690 1.3535 0.9359 0.9707 1.0922 1.0542 1.3729 0.9132 0.5622 0.3986 0.6720 0.3993 0.5439 1.3771 2.0095 1.6417 1.8448 1.0868 1.3107 0.9543 1.3764 0.9369 1.0293 0.9297 2.1373 glycochenodeoxycholate Glycochenodeoxycholic acid 1.2522 0.8093 0.7537 1.0398 0.7758 0.9602 0.7521 1.2314 0.5037 1.2691 1.3124 1.1333 guanosine Guanosine 0.8685 1.3551 0.7550 1.0571 0.9429 0.7115 2.8707 2.5921 2.9244 2.5657 2.3250 2.9992 1.7653 1.4715 0.9050 1.1162 0.8539 1.2926 1.3120 0.6842 0.8539 0.4527 0.7993 1.0519 1.0778 0.9780 1.0220 0.8353 3.4155 2.5467 0.8718 0.7214 0.6350 0.6930 0.6409 0.6148 heneicosapentaenoate (21:5n3) 6Z,9Z,12Z,15Z,18Z-Heneicosapentaenoic acid 0.5929 0.5929 0.5929 0.5929 0.5929 0.5929 1 0.8536 0.6148 0.6445 3.1972 0.5929 0.5929 0.5929 1.0397 1.3788 12.0680 0.5929 3.0801 0.6407 0.4534 0.8184 0.4534 0.7305 0.4534 1.8067 1.1816 0.4534 1.1818 0.4534 0.5929 1.0896 1.0758 0.9321 0.7489 0.5929 HEPES 1.0584 0.7675 0.9391 0.8924 0.9665 1.0798 1.0442 0.9356 1.0335 0.8563 1.1344 1.1978 heptanoate (7:0) Heptylic acid 1.2641 1.4167 1.1221 1.0241 1.1069 0.3336 0.7566 0.3336 0.5873 0.3336 0.8148 0.9499 0.3336 1.7628 1.3861 1.7728 1.7795 0.6301 1.4037 0.5423 0.9245 0.7000 0.9414 1.1363 1.1273 1.4544 1 0.7046 0.5423 1.4724 0.7197 0.3336 0.9759 0.3336 0.3336 0.7743 hexadecadienoate (16:2n6) 7Z,10Z-Hexadecadienoic acid 0.8507 0.7466 1.3224 0.8690 1.0424 0.9863 1.2139 0.9764 1.0137 0.8891 2.7855 0.9769 1.0780 0.5203 0.6763 0.8837 3.5366 0.6520 0.9681 1.0968 1.0672 1.0719 1.2027 1.1495 hexadecanedioate (C16) Hexadecanedioic acid 0.6335 0.6335 1.3824 0.6335 1.3500 0.6335 1.4031 0.7228 1.2795 0.8203 0.9201 1.0184 0.6335 0.6335 0.6335 0.6335 0.6335 0.6335 0.6335 0.9816 1.2579 0.7627 0.6668 1.1947 hippurate Hippuric acid 0.9816 1.3681 1.4035 0.7447 1.4924 0.9256 1.0011 0.8704 1.0775 0.7265 0.9338 1.3023 0.9474 0.8667 0.9596 0.9989 0.8943 1.2634 0.9109 0.6481 0.7849 1.0028 0.8814 0.8920 0.9972 1.1147 1.0470 1.0605 1.1831 1.2307 0.9890 1.6245 1.4594 1.6288 1.4129 1.4319 histidine Histidine 0.7226 1.0337 0.3681 0.7449 0.8800 0.5507 1.9499 1.3218 1.2632 1.3065 1.4060 1.4711 1.7318 1.4366 0.9954 1.1330 1.0046 1.2449 1.3464 1.0219 1.1966 0.9302 1.0672 1.2081 0.9700 0.9781 0.9459 0.6299 0.9027 1.0315 0.7825 0.7292 0.7031 0.7379 0.7490 0.7485 hypoxanthine Hypoxanthine 0.8063 1.0840 0.6452 0.7885 0.8071 0.6221 1.6030 1.2306 1.4955 1.2993 1.2087 1.5904 1.3478 1.2149 0.9484 0.9788 0.8024 1.1639 1.2831 0.8844 1.0014 0.7996 0.9986 1.2342 1.0731 0.9058 0.9092 0.7931 1.2701 1.2724 1.0037 0.8219 0.8067 0.9583 1.0192 0.9963 indolelactate Indolelactic acid 1 1.3246 1.0271 0.8350 1.5013 0.7278 2.5492 2.2591 2.0568 2.2016 2.6380 3.0306 0.3200 0.3200 0.3200 0.3433 0.3200 0.3200 1.4397 1.1966 1.0292 1.2925 1.0507 1.0579 0.9108 0.8006 0.9708 0.8208 0.6513 0.7246 0.3581 0.4985 0.4188 0.5496 0.4828 0.3200 inosine Inosine 0.8079 1.3487 0.6687 1.0610 0.8955 0.6924 1.9954 2.1773 2.4264 2.0191 1.9686 2.4438 1.7189 1.4985 0.9663 1.0337 0.7355 1.2304 1.0127 0.6135 0.8669 0.4931 0.8061 0.9696 1.1975 0.9873 1.1891 1.0668 3.3617 2.7698 0.7884 0.6552 0.5745 0.6616 0.6463 0.6329 Isobar: hexose diphosphates 1.2295 0.8699 1.1040 0.9404 0.9459 1.1474 0.6950 0.6950 0.6950 0.6950 0.6950 0.6950 2.1532 1.3817 1.3300 1.5991 0.9887 1.3363 0.9911 1.0225 1.4573 1.5178 1.6157 1.6741 0.9452 0.6338 0.9235 0.8249 0.7951 1.0089 0.8782 0.8695 1.0111 0.6950 0.7659 0.9889 isoleucylglycine Ile-Gly 1.1744 1.9944 1.0714 1.3832 2.6711 1.6505 0.5632 0.6108 0.5299 0.3158 0.3386 0.4674 1.1766 0.7441 0.7663 0.7010 0.5212 1.0603 1.2542 0.7349 1.2878 0.6958 1 1.5934 0.3043 0.3043 0.8212 0.8058 3.4412 2.4857 0.9438 1.2766 1.0562 1.1293 0.8763 1.0787 linoleate (18:2n6) Linoleic acid 0.7515 0.4187 1.1669 0.7380 0.8107 0.7494 1.2484 0.8703 0.9439 0.7186 2.6995 0.9403 1.5852 0.5708 1.3255 1.6272 10.7925 0.9260 2.6023 0.9925 0.4518 1.0075 0.5777 0.8268 0.4717 2.5339 2.4636 0.9235 1.6067 1.0376 0.8728 1.1400 1.1822 1.3252 1.2049 1.0561 linolenate (18:3n3 or 3n6) Octadecatrienoic acid 0.6732 0.4201 1.0567 0.6942 0.7878 0.7220 1.1382 0.8041 0.8704 0.6501 2.4494 0.7931 1.5395 0.6334 1.2983 1.6931 9.8785 1.1328 2.2116 0.8104 0.3928 0.8123 0.4695 0.7520 0.7337 3.3626 3.3401 1.1877 1.9854 1.3496 0.7466 1.0101 1.1365 1.1923 1.0775 0.9899 linoleoyl ethanolamide Linoleoyl-EA 5.9418 1.4551 0.6167 1.7649 0.6824 1 0.6167 0.6167 0.8846 0.6167 0.6167 0.6167 malate Malic acid 1.3602 1.1322 1.0815 0.9893 1.2437 0.8707 0.7666 0.7005 0.7785 0.6412 0.7868 1.1713 1.5223 1.2659 1.1210 0.9989 0.8638 1.1018 1.0224 0.7480 0.7782 0.8368 0.7623 0.8034 1.1789 1.0280 1.0493 0.9776 1.0476 1.1154 0.9797 0.9336 0.9074 1.1069 1.0011 1.0471 margarate (17:0) Margaric acid 0.8068 0.5541 1.2826 0.7096 0.9674 0.9274 1.0538 0.8109 0.8851 0.6088 2.1846 0.8046 1.9876 0.7031 1.4558 1.6408 7.5267 1.1171 2.1608 1.0171 0.5186 0.9829 0.6115 0.7935 0.5038 1.5391 1.9037 0.9014 1.6359 1.1337 0.9366 1.0064 0.9936 1.1396 1.1618 1.1437 mead acid (20:3n9) ETrE(5Z,8Z,11Z) 3.1213 1.1576 0.4060 1.0123 0.5485 0.9877 0.3277 2.3480 2.6387 0.7780 1.4302 0.8259 methyl glucopyranoside (alpha + beta) Methyl glucose 0.7890 0.6125 0.6004 0.5491 0.6392 0.9821 1.3472 1.0179 1.7327 1.5917 2.1351 1.7455 myristate (14:0) Myristic acid 1.0826 0.7856 1.4796 1.1266 1.1997 1.1115 0.8344 0.6419 0.6873 0.5772 1.7840 0.7164 1.6397 0.7415 1.2533 1.3529 5.4120 1.0489 2.3980 0.8468 0.4780 0.8496 0.5596 0.8013 0.6806 2.4388 2.5570 1.1504 2.0683 1.3938 0.8336 0.9484 0.9172 0.9249 1.0398 0.9602 myristoleate (14:1n5) Myristoleic acid 0.8628 0.9681 1.0664 0.8890 1.2150 0.8487 0.6485 0.4879 0.4214 0.4335 0.8521 0.6452 1.7998 1.0611 1.2115 1.6265 3.3437 1.7735 1.0909 0.5047 0.2506 0.5539 0.3746 0.5481 1.1997 1.8169 2.1184 1.2260 0.9091 1.4010 0.8844 0.8830 1.2276 1.2641 1.1601 1.0319 N6-acetyllysine N6-Acetyllysine 0.8600 0.8901 0.9866 1.0173 1.2160 1.0134 1.7116 1.3087 1.3675 1.1205 1.4168 1.7081 1.2698 0.8591 0.6686 0.7495 0.6070 1.1524 1.3172 0.8928 1.0189 0.6787 0.9811 1.4598 0.8464 0.6821 1.1187 0.4573 1.2971 1.4876 0.9145 0.9811 1.0431 0.9077 0.9565 0.6795 N6-carbamoylthreonyladenosine N6-Carbamoyl-L-threonyladenosine 1.4259 0.9588 0.9612 1 0.9606 1.4296 1.0518 0.9588 0.9588 0.9588 0.9588 0.9588 N6-succinyladenosine Succinyladenosine 0.3794 0.3794 0.3794 0.4627 0.3794 0.3794 1.2477 0.8174 1 1.4527 1.3986 2.0993 0.3794 0.3794 0.3794 0.3794 0.3794 0.3794 0.3794 0.3794 0.3794 0.3794 0.4239 0.3794 N-acetylalanine N-Acetylalanine 1.1748 1.7459 1.2030 1.2811 1.3188 1.0545 1.6100 1.1426 1.1855 0.9764 1.0120 1.2949 0.8984 0.9605 0.7232 0.7807 0.7090 0.8217 1.3323 0.9663 1.0690 0.9113 1.1230 1.4460 0.8827 0.7570 0.7573 0.6397 1.0337 1.0615 0.8544 0.9765 0.9653 0.9558 0.9880 1.1159 N-acetyl-aspartyl-glutamate (NAAG) N-Acetyl-Asp-Glu 0.9001 0.7519 0.8177 1.0044 0.8282 0.6019 2.0826 1.5886 1.8906 1.9670 1.8129 2.1824 1.6019 1.5699 0.9940 1.1785 0.8430 1.0879 1.0436 0.7864 0.7231 0.8675 0.9956 0.7946 N-acetylleucine N-Acetylleucine 0.6275 0.6275 0.6275 0.7707 1.2090 0.6275 1.2867 0.6275 0.8436 0.6275 0.6275 1.1564 0.6275 0.6275 0.6275 0.6275 0.6275 0.6275 0.6275 1.4242 0.6275 0.6275 0.7586 0.6275 N-acetylmethionine N-Acetylmethionine 1.1603 1.6180 1.1947 1.3341 1.9016 1.4087 1.1503 0.9748 1.0971 0.8572 0.8273 1.1031 1.0358 0.9435 0.7723 0.8640 0.6941 0.9144 1.1195 0.7489 1.0505 0.7514 0.8953 1.1468 0.8798 0.8374 1.0436 0.9564 2.0870 2.3164 0.7942 0.9852 1.0556 0.9892 0.9263 1.0108 N-acetylphenylalanine N-Acetylphenylalanine 0.4968 0.9139 0.4968 0.4968 0.4968 0.4968 1.4710 1.0523 1.2053 0.9477 1.2484 1.6073 0.4968 0.5294 0.4968 0.4968 0.4968 0.4968 1 0.8512 1.2242 0.8593 0.9301 1.3592 1.0164 0.5506 0.5506 0.5506 0.5506 1.0148 0.4968 0.4968 0.4968 0.4968 0.8801 0.4968 N-acetylthreonine N-Acetylthreonine 1.0863 1.1709 1.0114 1.0492 0.8971 0.8258 3.1886 2.2261 2.7032 2.7578 2.5722 3.3678 1.2591 1.1364 0.8130 0.8993 0.7448 0.8588 1.2557 0.9839 1.0441 0.9963 1.1432 1.4326 1.0037 0.9426 0.8157 0.7156 0.9319 1.0889 0.9072 0.8477 0.8977 0.9886 0.9604 0.9305 N-acetylvaline N-Acetylvaline 0.8627 1.0507 0.9713 1 0.7626 0.9043 14.9513 10.8882 14.0339 14.1112 13.5468 17.2418 1.1054 1.2010 0.9418 0.8547 0.7626 0.7626 1.4123 0.9703 0.9001 0.8498 1.1944 1.6159 1.1361 0.9100 0.8815 0.8257 1.0297 1.1115 0.9020 0.7626 1.0659 0.9063 0.9713 0.8166 NAD+ NAD 0.8608 0.8953 0.7177 0.9349 0.9593 0.7119 1.3203 1.0426 1.2910 1.0407 1.0435 1.5807 1.5942 1.8374 1.2771 1.1036 1.0688 1.3869 1.5862 1.1840 1.4439 1.0467 1.3487 1.3042 0.6310 0.4531 0.4525 0.5011 0.9533 0.8597 0.8464 0.8074 0.8190 0.8420 0.8932 0.6876 N-delta-acetylornithine N(5)-Acetyl-ornithine 0.3577 0.3259 0.3723 0.2952 0.4657 0.1829 2.7859 2.2773 1.8004 2.3910 2.9462 3.1040 2.3595 2.2133 1.6231 1.3757 1.3911 1.7297 0.9813 0.5993 0.8043 0.7759 0.7122 0.8044 1.4537 1.3083 1.2407 1.0187 1.1472 1.1936 0.5506 0.6243 0.5587 0.6020 0.6168 0.5601 nervonate (24:1n9)* Nervonic acid 1.0946 0.3065 0.8021 0.6109 0.7948 1.8712 0.9605 2.0256 1.0395 0.8783 3.3983 1.0536 1.0884 0.2748 0.7366 0.6592 8.9681 0.5460 0.6932 3.0293 0.6702 1.1636 1 0.3068 0.8062 1.0074 2.0613 1.3081 0.2961 0.2961 3.9312 0.1129 1.0441 1.9497 0.9094 2.8764 N-formylkynurenine N-Formyl-L-kynurenine 0.7023 0.6361 0.7246 0.5101 0.8241 0.6121 0.4851 0.3861 0.4101 0.3427 0.3695 0.5922 1.9252 1.5695 1.3791 1.5127 1.1759 1.7589 1.4862 2.1673 2.2530 2.0233 1.6547 1.9190 N-formylmethionine N-Formylmethionine 0.8807 1.1596 1.0095 0.9672 1.1292 0.9138 1.1910 0.9905 1.0164 1.0150 1.0790 1.4767 1.3469 1.4480 1.0112 1.0589 0.9401 0.9407 0.9543 0.7725 0.8551 0.7554 0.7222 0.8446 1.1780 1.1308 1.1480 1.0457 1.3533 1.4291 0.3775 0.7333 0.7581 0.6698 0.7072 0.9613 nisinate (24:6n3) THA 0.5244 0.2675 1.0475 0.4960 0.6626 0.5786 1.4146 1.0929 1.1291 0.7479 2.8378 0.9160 1.3240 0.3684 1.0872 1.3626 7.8807 0.5762 4.3895 1.4878 0.5394 1.2124 0.4834 1 0.4628 0.4628 0.4628 0.4628 0.4628 0.4628 0.8118 0.9525 1.1376 1.0904 1.3503 0.8688 nonadecanoate (19:0) Nonadecenoic acid 0.7818 0.4772 1.1079 0.7506 0.9600 0.8729 1.2208 1.1205 0.9441 0.7045 2.2912 0.9198 1.5086 0.5289 1.1033 1.3159 5.8652 0.8771 2.3304 0.9597 0.5907 1.0403 0.6307 0.8585 0.5072 1.6786 1.8309 0.8246 1.6221 1.2567 1.0294 0.9370 0.9887 1.0113 1.0766 1.0726 N-stearoyltaurine N-Stearoyl taurine 2.8778 1.2588 0.6460 1.3104 0.6921 0.9393 0.3776 1.0252 1.2612 0.3776 1 0.7263 octadecenedioate (C18:1-DC) 0.7142 0.7142 0.7142 0.7142 0.7142 0.7142 1 0.8059 1.0267 0.7142 0.7822 1.0143 0.7142 0.7142 0.7142 0.7142 0.7142 0.7142 0.7142 0.7142 1.7141 0.7142 0.8220 1.5601 oleate/vaccenate (18:1) Oleic acid 0.5880 0.3386 1.0355 0.6283 0.6763 0.6439 1.1657 0.9092 0.9645 0.7684 2.5769 0.8910 1.4447 0.4942 1.1629 1.4455 6.8791 0.7480 2.6438 1.0506 0.4355 1.0239 0.5264 0.8239 0.3965 2.4185 2.5089 0.8897 1.9455 0.9761 0.8273 1.1658 1.1525 1.2085 1.2668 1.1238 O-sulfo-L-tyrosine Sulfotyrosine 1.0884 1.2345 1.1514 1.1616 1.4305 0.9831 1.2539 0.9717 0.9735 1.0703 1.0698 1.4472 1.0827 0.9198 0.5522 0.8868 0.7317 0.8780 1.4227 1.0172 1 0.8956 0.8076 1.5274 0.7350 0.7350 0.9734 0.8026 1.2744 1.1738 0.8996 0.9812 1.3264 1.0169 0.8981 0.9631 palmitate (16:0) Palmitic acid 0.8630 0.5103 1.3549 0.9553 0.9739 0.9384 1.1176 0.8802 0.9398 0.7395 2.8688 0.9272 1.6428 0.5869 1.2715 1.4034 7.6627 0.9573 2.6091 0.9134 0.4515 0.8753 0.4999 0.7537 0.4771 2.6240 2.7377 1.0866 2.5925 1.4201 0.8439 1.0678 1.0291 1.0544 1.1491 1.0261 palmitoleate (16:1n7) Palmitoleic acid 0.8943 0.5833 1.3768 0.9113 0.9974 0.9104 1.0474 0.8000 0.8380 0.6914 2.4158 0.8162 1.3719 0.5454 1.0711 1.2392 6.3073 0.8040 2.0349 0.7883 0.3777 0.7937 0.4575 0.6462 0.6636 3.0914 3.1323 1.2063 2.0927 1.3584 0.8653 1.0026 1.0238 1.0588 1.1441 1.0855 pantetheine Pantetheine 1.0810 1.0440 0.9152 0.8937 0.9962 1.3867 1.0038 0.7773 0.8142 0.7600 1.0719 1.0240 penicillin G Penicillin G 0.8829 1.1171 1.2820 0.6801 1.4432 0.7409 0.6801 0.6801 0.6801 0.6801 0.6801 0.6801 0.6801 0.6801 0.6801 0.6801 0.6801 0.6801 0.9661 0.8441 0.9485 1.0036 0.9964 0.8399 0.9833 1.0791 1.1498 1.2006 1.1705 1.3442 0.6801 0.6801 0.6801 0.6801 0.6801 0.6801 pentadecanoate (15:0) Pentadecylic acid 1.0398 0.7098 1.4990 0.9719 1.2488 1.1551 1.0082 0.8919 0.9333 0.6264 2.1977 0.7805 1.7229 0.6433 1.2724 1.2398 6.1675 0.9918 2.1825 0.8894 0.5054 0.8599 0.5269 0.7859 0.6008 2.3898 2.4720 1.1106 2.5002 1.4445 0.9045 0.9562 0.9299 0.9766 1.1397 1.0502 phenol red Phenolsulfonphthalein 0.9202 0.6753 0.8285 0.9798 0.8218 0.8684 1.0202 1.1454 1.1418 1.0636 1.2648 1.2020 phenol sulfate Phenyl hydrogen sulfate 0.8582 0.9628 1.0158 0.7746 1.1137 0.7281 1.1777 0.9131 1.0848 0.8803 1.0117 1.3850 1.5033 1.2101 0.9795 1.0918 1.0679 1.1230 1.1549 0.9004 0.8310 1.1554 1.0575 1.1304 0.9477 0.7829 0.9022 0.9030 1.2207 1.0523 0.8202 0.9519 0.9826 0.9760 0.9883 1.0296 phenyllactate (PLA) Phenyllactic acid 0.3944 0.4411 0.4116 0.1411 0.4556 0.2548 1.1908 1.1162 1 1.1175 1.4351 1.8457 2.3500 2.2674 1.4856 1.3057 1.1146 1.6166 1.1388 1.0957 1 1.0076 1.1424 0.9146 0.4565 0.3537 0.3537 0.3537 0.3607 0.3537 0.3577 0.2622 0.2798 0.1411 0.2467 0.1828 phosphoenolpyruvate (PEP) Phosphoenolpyruvic acid 1.1849 1.4240 1.2678 1.1910 1.4879 1.2115 0.0055 0.0104 0.0052 0.0045 0.0067 0.0098 1.3212 0.8105 0.9923 1.0076 0.8729 1.0501 0.5955 0.1778 0.2613 0.3253 0.1622 0.4778 2.0047 1.5952 1.6112 1.4045 1.6904 1.8630 0.5635 1.0871 1.3132 0.9924 0.5878 1.0286 phosphopantetheine Pantetheine 4'-phosphate 1.1400 1.4972 1.1678 1.3249 1.7827 1.3809 0.7608 0.4497 0.4888 0.3144 0.3148 0.5422 1.0755 1.1724 0.7887 0.9452 0.8373 1.1568 0.9073 0.8043 0.9064 0.9900 0.8512 1.0326 1.0906 1.0100 1.0145 0.9267 1.0380 1.1424 0.7125 1.0601 1.0470 0.9530 0.8797 1.2398 propionylglycine (C3) Propionylglycine 0.3448 1 0.4041 0.3448 0.3448 0.3448 0.9053 0.9257 1.2197 1.0156 1.2983 1.2100 0.3448 0.3448 0.3448 0.3448 0.3448 0.3448 0.3448 0.3448 0.3448 0.3448 0.3448 0.3448 prostaglandin E2 PGE2 1.0819 0.7533 0.9365 1.1643 0.9493 1.3569 1.1224 0.8711 1.0507 0.8817 0.8739 1.1441 prostaglandin F2alpha PGF2alpha 0.4563 0.4589 0.5762 0.6389 1 0.8800 0.0204 0.0204 0.0204 0.0204 0.0204 0.0204 0.9554 1.0626 0.9356 0.9835 1.1132 1.3506 0.8013 0.6823 0.7164 0.8983 0.7530 1.0645 1.3145 1.2312 1.3689 1.1044 0.9355 1.1343 1.1031 2.1342 2.0966 2.2527 1.1986 1.8805 pseudouridine Pseudouridine 0.6544 0.7543 0.5967 0.5414 0.6535 0.4296 1.4970 1.2070 1.4002 1.2133 1.2008 1.5579 1.5568 1.1758 1.0212 0.9879 0.7849 1.0656 1.2957 0.9717 0.8662 0.9138 0.9767 1.1475 1.0714 0.9388 1.0233 0.8717 1.1432 1.0578 0.9618 0.9098 0.9432 1.0977 1.0121 0.9133 pyridoxal phosphate Pyridoxal 5'-phosphate 1.1923 1.2966 1.1395 0.5594 0.8546 1.1284 1 0.5594 1.1818 0.7695 0.7438 0.8369 pyridoxate 4-Pyridoxic acid 0.7850 1 0.6726 1.2023 0.6093 1.3788 0.6073 1.5099 0.9369 0.6073 1.1617 1.1010 pyridoxine (Vitamin B6) Pyridoxine 1.1151 0.8121 0.9369 1.0342 0.8965 0.7647 1.2445 1.1212 1.0518 0.9658 1.1118 0.9506 S-adenosylhomocysteine (SAH) S-Adenosylhomocysteine 0.7949 1.0436 0.8062 0.7935 1.0122 0.8020 1.6146 0.9961 1.3117 1.1359 0.9779 1.4221 1.4512 1.3931 1.0529 1.1383 0.9089 1.2682 0.8733 0.7293 0.7884 0.8566 0.7590 0.9458 1.2895 1.1278 1.1294 1.0542 1.1357 1.2486 0.8414 0.7883 0.8470 1.0039 0.9407 0.8677 sedoheptulose-7-phosphate Sedoheptulose 7-phosphate 2.0679 0.8246 1.3897 0.5284 0.8344 1.0298 0.6057 0.7137 0.9702 1.1830 3.1336 2.8217 S-methylcysteine Methylcysteine 0.7185 0.5830 0.8284 0.6583 0.7687 0.5830 3.4266 2.3175 2.3686 2.4135 2.0399 2.7080 1 0.8807 0.7893 1.1081 0.9885 1.0176 0.9509 1.1286 0.8575 1.0784 1.2447 0.7439 stearate (18:0) Stearic acid 0.6841 0.3939 1.0999 0.7602 0.8753 0.7891 0.9645 0.7368 0.7220 0.5386 1.9457 0.7769 1.6348 0.6437 1.2392 1.4727 6.1939 1.0355 2.3623 0.9940 0.5497 1.0060 0.6108 0.8763 0.4293 1.6972 1.9454 0.8257 1.9232 1.2664 0.9001 1.1471 1.1877 1.1439 1.1847 1.0813 sulfate* Sulfate 1.0219 1.1420 1.2459 0.7257 1.2759 0.6682 0.7139 0.7260 0.7863 0.6070 0.7977 1.2156 0.9800 0.8864 0.7208 0.7807 0.6094 1.1653 1.1440 0.9519 1.0013 1.0504 1.0644 1.0031 0.8348 0.9987 0.8139 0.8996 0.7923 1.0153 1.0200 1.4863 1.3082 1.2265 1.2438 1.2548 taurochenodeoxycholate Taurochenodeoxycholic acid 0.2204 0.2204 0.6925 0.2204 0.2204 0.5152 0.2688 0.2204 0.2204 0.2204 0.2204 0.2204 0.2204 0.4082 0.4187 0.2204 1 0.2204 1.3161 0.5209 0.8402 0.9081 0.3811 0.9215 0.3811 1.3580 1.1577 1 1.9261 1.4192 1.8027 2.2239 2.0136 2.3192 1.7635 2.3758 tetradecanedioate (C14) Tetradecanedioic acid 0.8193 0.8193 1.3230 0.8193 0.8193 1.0639 1.5306 0.8193 0.9456 0.8193 0.9030 0.9247 0.8193 0.8193 0.8193 0.8193 0.8193 0.8193 1 0.8193 0.8193 0.8193 0.8193 1.1367 thymidine Thymidine 0.7275 0.7275 0.7275 0.7275 0.7275 0.7275 0.7357 0.7275 1.0674 1.0608 0.9392 1.5589 0.7275 0.7275 0.7275 0.7275 0.7275 0.7275 1.3290 0.9869 1.0678 1.0131 1.0345 1.3223 0.7792 0.6362 0.5710 0.4634 1.1003 0.9662 0.7275 0.7275 0.7275 0.7275 0.7275 0.7275 thymine Thymine 1.0271 0.9824 0.7935 0.7475 0.5364 0.4789 2.3076 1.5512 2.3292 1.9811 1.7894 3.0006 1.4875 1.5031 1.0592 1.0176 0.8684 1.1496 1.7764 1.0384 0.8101 1.0103 0.9897 1.3846 1.1179 1.0416 0.7401 0.5617 0.5306 0.7641 0.6163 0.4851 0.4883 0.5118 0.6442 0.5091 thymol sulfate 0.5669 0.5669 0.7750 1.1115 1.1947 0.5669 1.0992 1.0335 1.5341 0.8100 0.8885 0.9821 1.0179 1.1143 1.1103 0.9039 0.7309 0.5669 0.5669 0.5669 0.5669 0.5669 0.5669 0.6022 TMP TMP 1.0860 1.0318 1.1125 1.0414 1.2758 1.0170 0.9865 0.9527 1.5002 1.3501 1.4176 2.0335 1.1049 1.0135 0.8167 0.6274 0.5064 0.6966 0.5915 0.6336 0.6327 0.9288 0.6545 0.6613 1.5136 1.3107 1.5246 1.3207 1.0712 1.2999 0.3929 0.6859 0.5753 0.5557 0.5011 0.6086 tyrosylglycine Tyr-Gly 1.2588 1.8380 1.4014 1.6741 2.6480 2.0325 0.8230 0.8838 0.5379 0.2784 0.3909 0.4337 0.8719 0.8003 0.6294 0.8190 0.4758 0.9037 1.6186 0.7986 1.3396 0.6947 1.2014 1.6250 0.4831 0.3444 0.5874 0.6139 3.0567 3.2339 1.0963 1.5365 1.5703 1.5548 1.1309 1.4545 UDP-glucuronate UDP-glucuronic acid 1.3835 1.5267 0.8175 1.7732 0.9952 0.4545 2.2422 1.2927 1.4835 1.2625 0.9654 1.1032 1.4450 1.4589 1.0048 1.0975 0.7502 0.5247 0.9233 0.9153 1.0042 0.8388 0.7518 0.8290 1.4185 1.0916 1.0570 1.0443 0.9958 1.0303 0.6553 0.4692 0.6111 0.7838 0.7775 0.2067 uridine Uridine 0.7585 0.8279 0.8178 0.9030 0.5882 0.5026 3.4836 3.6330 4.0017 3.7276 3.3511 5.2061 1.9847 2.2142 1.2490 1.2054 1.0970 1.2877 1.2751 1.0220 1.0936 0.7533 1.1230 1.5365 0.6014 0.5554 0.4960 0.4070 1.1683 0.9780 0.6896 0.7063 0.6156 0.6410 0.6527 0.5330 uridine 5^-diphosphate (UDP) UDP 1.4204 1.0073 1.3123 0.7961 1.1041 1 0.7424 0.7424 0.7670 0.7424 0.7424 0.7810 xanthosine Xanthosine 1.2175 0.7212 0.3780 0.5001 0.1584 0.1106 5.6399 3.0639 4.5928 4.5114 4.2563 5.8067 2.1324 2.2539 1.1524 1.0463 0.8002 0.9537 1.3794 1.2863 0.8523 0.9815 1.0185 1.8010 1.0376 1.1705 0.4717 0.3642 0.3011 0.5137 1.1447 0.2970 0.2509 0.5713 0.8166 0.5207 xanthosine 5^-monophosphate (xmp) XMP 0.7644 0.3840 0.5019 0.4543 0.2774 0.2329 3.5942 1.8458 2.5740 2.3352 2.4895 3.5537 1.4331 1.5430 1.0558 1.1650 1.0500 1.2427 0.9258 1.4566 0.8704 1.4145 1.0742 1.3244 1.2882 1.1835 0.6388 0.5441 0.1869 0.4152 0.9500 0.4398 0.4417 0.6132 0.8499 0.6019