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 1-methyl-4-imidazoleacetate Methylimidazoleacetic acid 0.7085 0.8108 0.8897 0.8041 0.5500 0.4531 1.0891 1.1106 1.3187 1.3820 1.1445 1.5678 1.5648 0.9241 1.0641 0.8184 0.5175 1.0053 1.1945 0.9689 0.8441 0.8503 0.9792 1.0208 0.9315 1.1875 1.3409 0.9242 1.2967 1.1204 0.9087 1.0846 0.9947 1.0357 0.8377 1.2722 1-methyl-5-imidazoleacetate 1-Methyl-5-imidazoleacetic acid 1.2188 1.0777 0.6066 0.7179 0.7421 0.5892 3.8587 4.0051 4.7434 4.4904 3.9473 5.5577 1.5721 1.1441 0.9465 0.8481 0.9131 1.1541 1.2287 1.1578 1.1779 1.0443 1.2458 1.1278 0.8698 0.7749 0.8208 0.8477 0.8319 0.9557 1.0471 0.8509 0.7845 0.9529 0.7643 0.9482 1-methyl-5-imidazolelactate 1.1561 1.0358 0.5636 0.7457 0.6775 0.6593 2.9247 3.1121 3.0951 3.4036 3.4027 4.4834 1.6157 1.2856 0.9459 0.8827 0.8410 1.1430 1.2214 0.8530 0.7450 0.9642 0.8929 0.9312 1-methyladenine 1-Methyladenine 0.5483 0.5483 0.5898 0.7882 0.5483 0.5483 1 1.3853 1.2594 1.7942 1.4033 1.7071 1.0192 1.4908 0.5483 0.8216 1.0588 0.7912 0.5483 0.8449 0.5483 0.6119 0.5483 0.9979 1-methyladenosine 1-Methyladenosine 0.6268 0.5575 0.4360 0.5842 0.4506 0.4335 1.3646 1.4706 1.5218 1.5087 1.4421 2.0125 1.7181 1.5502 1.2399 1.0680 1.0310 1.2287 1.1289 1.1128 1.0257 0.9743 1.1299 1.2165 0.8845 0.7618 0.8344 0.8347 0.9421 1.0669 0.9690 0.6841 0.7092 0.8096 0.7171 0.7457 1-methylhistidine 1-Methylhistidine 0.3056 0.4530 0.1931 0.1931 0.2132 0.1931 4.1420 3.8837 4.1076 0.8862 0.1931 2.8801 2.7194 2.5618 1.8773 1.1336 1.0790 1.6980 0.4342 0.6425 0.6590 1.2647 1.1388 0.4342 1.9207 0.4342 1.2101 1.4146 0.8612 0.8107 0.9210 0.1931 0.4280 0.6536 0.7588 0.6586 1-methylnicotinamide 1-Methyl nicotinamide 1.2873 1.1870 1.0010 0.8407 1.1249 1.0153 0.9690 0.7747 0.8496 0.7802 0.9990 1.1132 2-aminoadipate alpha-Aminoadipic acid 0.5336 0.5170 0.7021 0.8866 0.3572 0.3495 5.8412 5.3151 2.7164 5.6480 5.9162 7.4385 1.5128 3.6453 0.9950 2.4057 2.0958 1.1183 0.5537 1.0050 0.8085 0.4833 0.4548 0.4208 2^-deoxyadenosine Deoxyadenosine 2.4588 2.1378 1.6347 2.0948 2.2914 1.9936 0.8875 0.9132 1.0025 1.0054 0.9018 1.3312 1.7258 1.2626 0.9804 0.9191 0.9721 0.9975 0.8655 0.8055 1.0221 0.7526 0.6639 0.7340 2^-deoxyadenosine 5^-monophosphate dAMP 1.2225 0.9225 1.0260 1.0865 1.0142 0.8418 1.7775 1.4681 1.7138 1.7143 1.5241 2.1306 1.2123 1.3393 0.8519 0.8036 0.9139 0.9858 0.7946 0.7206 0.7711 1.1330 0.8489 1.0356 1.5020 1.3092 1.4267 1.3058 0.6136 0.9644 0.7579 0.7482 0.7491 0.6711 0.6690 0.6670 2^-deoxycytidine Deoxycytidine 1.8005 1.6708 0.8465 1.1744 1.1938 1.3071 0.9006 0.8921 1.0699 0.9998 1.0909 1.6554 1.4328 1.3659 1.0063 0.8184 0.7583 0.9148 1.0748 0.9033 0.9732 1.0824 1.1283 1.1631 0.7367 0.6525 0.7613 0.6571 1.0268 1.0724 0.5965 1.0002 0.9670 0.7961 0.4264 0.6945 2-hydroxyglutarate 2-Hydroxyglutaric acid 1.0099 1.2781 0.6402 0.9901 0.9160 0.7091 1.8066 1.7799 2.0189 1.6686 1.6594 2.3852 1.5549 1.2386 1.3062 0.9244 1.2259 0.8588 1.2858 0.7865 0.9947 0.8093 0.9266 0.7463 1.1418 1.0053 0.9105 1.0908 1.2278 1.3178 0.9429 0.5501 0.7353 0.6124 0.7047 0.6901 2-methylbutyrylcarnitine (C5) CAR 4:0;2Me 0.4291 0.4865 0.4195 0.4018 0.3287 0.2785 1.4987 1.6421 1.6434 1.7580 1.5063 2.2143 2.2489 2.4377 1.5243 1.6549 1.3660 1.5593 0.4508 0.4317 0.5662 0.3817 0.2948 0.2350 2.0328 1.9646 1.5592 1.4519 1.6113 1.4338 0.6042 0.6340 0.5490 0.5076 0.4880 0.5588 2^-O-methylcytidine 2'-O-Methylcytidine 0.6413 0.6091 0.4266 0.4266 0.4574 0.4266 1.2724 0.8486 1.1337 1.4202 1.0120 1.4928 1.5156 1.2394 1.0430 1.2090 0.8985 1.3892 1.3634 1.2011 1.0268 0.9732 1.0410 1.4430 0.9692 0.9413 0.8327 0.8295 1.0609 0.8552 1.1587 0.6350 0.9706 0.9880 0.8909 0.8981 2-oxoarginine* 2-Oxoarginine 3.7495 4.5619 2.2355 1.5292 2.9661 2.4881 0.3874 0.4867 0.2125 0.4309 0.4510 0.5744 0.4515 0.6944 0.4728 0.3519 0.4808 0.5304 1.1865 1.3850 1 1.1948 1.3461 1.1303 0.9196 0.6987 0.7285 0.6089 0.8032 0.6089 1.5723 1.6089 1.6030 1.3449 1.3056 1.5183 3-amino-2-piperidone 3-Amino-2-piperidone 1.0058 1.0775 0.8166 0.9158 0.9366 0.9903 0.9738 0.9153 1.0391 0.9589 1.0017 1.2527 1.0232 1.0945 0.7998 0.8018 0.8884 1.7228 0.9437 1.0200 0.7650 0.7495 0.8813 0.8624 1.0970 0.9800 1.1875 1.1246 1.2696 1.1612 1.0716 1.0812 1.1102 0.9983 0.9067 1.0796 3-aminoisobutyrate 3-Aminoisobutanoic acid 0.6488 0.7629 0.6680 0.7085 0.4060 0.5705 6.2297 6.1093 5.8685 6.9856 6.5486 8.2990 0.8221 1.3927 0.8839 1.0624 0.6070 1.0159 0.9952 1.0048 0.9951 1.4026 0.6734 1.7326 0.7305 1.0254 0.7467 0.6587 1.8111 2.0525 1.5042 0.9264 0.9841 1.1400 0.7094 1.0811 3-formylindole 1H-Indole-3-carboxaldehyde 0.2412 0.2783 0.2107 0.2805 0.1525 0.2860 0.9547 0.8794 0.8450 0.8457 0.7633 1.2884 1.6447 1.4935 1.2302 1.3337 1.1725 1.1916 0.6042 0.5705 0.6545 0.5978 0.7049 0.8774 1.5723 1.4228 1.4082 1.2739 1.3941 1.1226 1.2590 1.0225 1.0687 0.9781 1.0219 1.2350 3-hydroxyhexanoylcarnitine (1) CAR 6:0;3OH 1.0754 0.7006 0.9270 1 0.6751 0.7230 1.3862 0.7553 1.2044 1.0682 0.9476 1.1655 1.5477 1.0029 1.1313 0.6751 0.8623 1.4342 0.5465 0.8858 0.8286 0.6164 0.7627 0.8767 1.2322 1.1142 1.2565 1.3299 1.2059 1.7394 0.6751 0.6751 0.6751 0.6751 0.9182 0.7570 3-methoxytyrosine 3-Methoxytyrosine 0.2625 0.2625 0.2625 0.2625 0.2625 0.2625 1.0068 1.7996 1.0375 0.6980 0.2625 0.2625 0.2625 0.9932 0.2625 0.2625 0.2625 0.2625 0.2625 0.2625 0.2625 0.2625 0.2625 0.2625 3-methylcytidine 3-Methylcytidine 0.9553 0.8677 0.8725 0.9902 0.9947 0.8364 1.0855 1.0053 1.2743 1.1148 1.3104 1.5157 3-methylhistidine 3-Methylhistidine 0.6183 0.9331 0.4725 0.6077 0.6977 0.6233 4.1620 3.6474 2.9814 2.7326 1.0669 1.0770 2.1257 2.0447 1.5828 1.3169 1.4699 1.7036 0.9810 0.9031 1.0006 1.0572 1.2689 1.0240 1.5056 0.8829 0.9433 1.0375 0.9151 0.9994 0.8183 0.1943 0.6924 0.6166 0.7911 0.8924 3-phosphoglycerate 3-Phosphoglyceric acid 1.4146 1.4700 1.2169 1.2237 1.2027 1.1873 0.0096 0.0165 0.0138 0.0099 0.0101 0.0188 1.8468 1.2534 1.1149 1.0274 0.9726 1.1115 0.7388 0.2390 0.3736 0.4721 0.2531 0.6646 1.7486 1.3980 1.4095 1.2612 1.6442 1.8263 0.6851 0.9352 1.2443 0.8468 0.5403 0.8922 3-phosphoserine Phosphoserine 1.2883 0.4681 0.9113 1.0114 0.5184 0.9886 1.1516 0.9538 1.0125 1.0580 0.7040 1.0292 3-ureidopropionate Ureidopropionic acid 0.9738 0.9753 0.6454 0.6701 0.8382 0.6878 2.6230 2.7442 2.9505 2.7808 2.8019 3.5648 0.6907 0.5742 0.4582 0.5042 0.5123 0.6756 1.1557 1.2893 1.1379 1.2162 1.0247 1.2559 4-acetamidobutanoate 4-Acetamidobutanoic acid 1.1381 0.7256 0.8897 0.7547 1.2939 0.7742 1.3972 1.4419 0.8316 1.1538 1.5006 2.0880 0.9787 1.0032 0.9168 0.9968 0.9692 1.1026 1.1649 0.8107 0.9047 0.9377 0.8970 0.9540 1.0886 1.0968 1.0512 0.9239 1.0460 1.3438 0.9834 1.1801 1.0481 0.6914 0.7402 1.0449 4-guanidinobutanoate 4-Guanidinobutanoic acid 1.0166 1.1370 0.5491 0.6354 0.8615 0.7881 2.2621 2.1477 2.8346 2.5904 2.4379 3.3253 0.7887 0.6197 0.4450 0.3985 0.4554 0.4019 1.7629 1.7527 1.5470 1.1393 1.6643 1.5766 0.8607 0.8076 0.6566 0.8409 0.7369 0.7446 1.0980 1.1242 0.9391 1.1870 0.9834 1.1995 4-hydroxyglutamate Erythro-4-hydroxy-glutamic acid 0.4181 0.3458 0.2717 0.3840 0.1987 0.2406 3.7405 3.0099 3.7599 3.2100 3.0737 4.3076 1.8011 1.8299 1.2185 1.1054 1.0529 1.2912 0.9471 0.7240 0.7218 0.8367 0.7449 0.7768 4-imidazoleacetate Imidazoleacetic acid 1.2846 1.0584 0.4699 0.5687 0.7009 0.8605 3.8218 4.3339 4.7129 4.7320 4.2732 5.5243 1.0946 1.5446 0.6286 0.8478 0.7269 1.5044 0.8607 0.7333 1.1496 0.7350 0.8383 0.9133 1.2080 1.5569 1 1.4664 1.7106 0.7333 0.9416 0.8324 0.7241 0.9379 0.7316 1.2126 5-(2-Hydroxyethyl)-4-methylthiazole 5-(2-Hydroxyethyl)-4-methylthiazole 0.2221 0.2221 0.2866 0.2490 0.2221 0.2221 4.8618 3.9027 3.8856 3.1405 2.9367 4.3063 0.2221 1.3303 0.2221 0.6697 0.4771 0.2221 0.2221 0.5414 0.4028 0.2221 0.2221 0.2221 5_6-dihydrothymine Dihydrothymine 1.0755 1.1446 0.7830 0.5630 0.5316 0.7723 2.4704 2.1519 2.9200 2.4801 1.9632 2.9341 1.1960 0.7596 0.8174 0.6728 0.5667 0.9475 1.4306 0.5655 0.7688 1.0234 0.9766 1.1374 5_6-dihydrouridine 5,6-Dihydrouridine 0.7945 0.6612 0.5385 0.5385 0.5385 0.6415 0.9938 1.1062 0.8452 0.7902 0.8373 1.2351 1.7354 1.2160 1.0200 1.1312 1.0419 1.1672 1.3024 1.0556 1 0.8440 1.0697 1.3173 0.6159 0.5469 0.6193 0.5469 0.8742 1.0302 1.2127 1.0062 0.9518 0.9369 0.8620 1.3942 5-aminovalerate 5-Aminopentanoic acid 0.2112 0.2112 0.2112 0.2112 0.2112 0.2112 1.5857 2.0311 1.9184 1.8671 1.7740 0.2112 0.8685 0.5526 1 0.2112 0.5531 0.5308 1.1133 1.0172 0.6444 0.9281 0.8374 1.0358 0.9828 1.1624 1.1828 0.6888 0.5042 1.1520 1.3732 0.2263 0.2112 1.0878 0.2112 0.3930 5-(galactosylhydroxy)-L-lysine 5-(Galactosylhydroxy)-lysine 0.9046 1.3056 0.8139 0.9323 0.9431 1.1979 0.8967 0.7598 0.9235 0.6865 0.6860 1.0478 1.1939 1.1306 0.8752 0.9160 1.0117 1.2219 1.0662 1.0435 0.9939 1.0061 1.1257 0.7877 0.8044 0.7085 0.7639 0.7981 1.0917 1.1627 1.2037 1.1577 1.1878 1.1657 0.9883 1.2243 5^- GMP GMP 0.9840 0.9322 0.7710 0.9032 0.8589 0.7967 1.6455 1.4269 1.7839 1.4497 1.2940 1.6561 1.5735 1.3675 1.0989 1.0160 0.9337 1.1305 1.0405 1.1221 0.9984 1.0341 1.0693 1.0016 1.0620 0.8333 0.8857 0.8454 0.8592 0.9309 1.0713 0.7598 0.7741 0.8553 0.8705 0.9614 5-hydroxylysine 5-Hydroxylysine 0.9497 1.1218 0.7566 1.0474 0.9200 0.9718 1.3511 1.2000 1.2277 1.2779 1.0916 1.3705 0.8225 0.9783 0.7264 0.7467 0.8404 1.0152 1.1080 1.0014 0.7436 0.8069 1.0560 1.0331 1.0849 0.8449 0.9986 0.8206 0.7884 1.1479 1.0158 0.8247 0.9848 1.0164 0.8019 1.0321 5-methylcytidine 5-Methylcytidine 0.4029 0.5780 0.4298 0.5623 0.3827 0.4010 2.5188 2.0243 1.9802 2.0577 1.7614 2.4286 1.3576 1.3289 0.9078 1.1358 1.0867 1.3087 1.2459 1.1284 1.0730 0.9579 1.0421 1.2267 1.0471 0.9488 0.8848 0.7981 0.7719 0.8386 1.1626 0.8009 0.8223 0.9133 0.9046 0.8707 5-methylcytosine 5-Methylcytosine 0.4590 0.4590 0.4590 0.4590 0.4590 0.4590 2.4692 2.1347 2.1310 2.1293 1.8583 2.6286 0.8942 1.2884 0.9918 0.9616 0.7567 0.4590 0.9117 1.0898 0.4590 0.9943 0.9049 1 5-methylnorleucine 0.9401 1.0042 0.6740 0.8180 0.9958 0.7614 1.7806 1.9400 1.6201 1.7017 1.9145 2.4939 1.6604 1.9632 1.0843 1.0884 0.9035 1.5823 0.8714 0.8944 0.9363 0.7513 0.6055 0.6748 5-methylthioadenosine (MTA) 5'-Methylthioadenosine 0.9087 0.9620 0.6872 0.7101 0.6044 0.7129 2.5663 2.1153 2.4531 2.1857 1.9867 2.8295 1.3029 1.4160 0.9138 0.8971 1.1148 1.2009 0.9951 0.9527 1.0606 0.7503 0.8726 0.8746 1.0403 0.9629 1.0464 1.0049 1.3469 1.4606 1.1102 0.9058 0.9259 0.9121 0.8344 1.0380 6-oxopiperidine-2-carboxylate 6-oxopiperidine-2-carboxylic acid 1.3614 0.4830 0.5224 0.4595 0.4595 0.9511 1.0878 1.2469 0.8671 1.1519 1 1.0833 0.8100 2.2320 0.4595 0.9252 0.9700 1.5849 1.1922 0.4595 0.4595 0.9161 0.4595 1.0409 7-methylguanine 7-Methylguanine 0.4293 0.4348 0.3046 0.3081 0.3046 0.3499 2.9753 3.0370 2.8585 3.5540 3.4082 4.3933 1.1625 1.2882 0.7604 0.9212 0.7729 1.1175 1.5584 1.1757 1.3196 0.9958 1.1345 1.6127 1.0042 0.8581 0.9244 0.9304 0.8377 0.9063 1.1181 1 0.9867 0.7980 0.7495 1.0234 acetylcarnitine (C2) CAR 2:0 0.4327 0.3938 0.3669 0.5062 0.2438 0.2300 4.0518 2.6815 2.1303 1.8614 1.8809 2.5747 1.1049 1.3485 0.8067 0.9865 0.9933 1.1731 0.9749 0.9741 1.0719 0.8013 0.9035 0.9950 1.0931 1.0654 0.9709 1.0050 1.4016 1.3349 1.2796 0.8500 0.6174 1.0067 1.0843 0.9800 adenine Adenine 1.5766 1.6090 0.4999 1.0018 0.9104 0.9681 1.0446 1.3619 1.3080 1.1508 0.9982 1.3889 1.6029 1.0996 0.9278 0.8592 1.1270 1.4418 0.7190 0.8116 0.9337 0.8590 0.9985 0.9833 1.3920 1.0015 1.2746 1.6415 1.3582 1.1393 0.8644 0.5759 0.6091 0.7489 0.7712 0.6595 adenosine Adenosine 1.6949 2.1421 1.3073 1.6427 1.7264 1.6153 0.6085 0.7282 0.7079 0.7164 0.7316 0.7936 1.8887 1.3097 1.1600 1.0815 0.9150 1.1104 0.5788 0.6137 0.6608 0.6522 0.7851 0.5884 1.5876 1.2149 1.7510 1.7339 1.7843 2.0299 0.9584 0.9271 0.9384 0.7951 0.7575 1.0416 alanine Alanine 0.6844 0.7952 0.4965 0.5345 0.6183 0.5813 1.7649 2.1644 2.6176 2.1640 2.2067 2.8022 1.4129 1.2142 1.0172 0.8316 0.8417 1.1818 0.8852 0.9174 0.8738 0.9195 0.9679 0.8991 1.3815 1.0321 1.1359 1.0579 1.0807 1.1478 0.9828 0.8487 0.7562 1.0447 0.8203 1.0716 alanylleucine Ala-Leu 0.7272 1.0822 0.6274 0.7630 0.9150 1.0958 2.1177 0.9739 1.6908 0.4643 1.1931 3.5599 1.1048 2.9864 0.4643 0.4643 0.4643 1.0261 1.1334 0.7087 1.2783 0.7034 0.8307 1.3134 0.6882 0.6882 0.8666 0.6882 2.5153 2.1217 0.6824 1.0359 0.7417 0.8609 0.4643 0.7914 AMP AMP 1.0065 0.9077 0.8781 0.9608 0.9015 0.8135 1.5032 1.2257 1.3651 1.2971 1.1302 1.4202 1.4319 1.3557 1.0299 1.0267 0.9935 1.1179 0.8130 1.0269 0.9731 0.9670 0.9400 0.8827 1.1455 1.0997 1.2210 1.1703 0.8072 1.0278 0.8928 0.8996 0.8692 0.8502 0.8222 0.9188 anserine Anserine 1.0297 0.9404 0.7228 1.0488 0.8316 0.7235 11.3789 10.3398 12.9312 12.1264 10.3754 14.4546 1.4525 1.4610 0.8111 1.0281 0.9890 1.0110 0.6931 0.6117 0.4710 0.6608 0.4266 0.6518 arginine Arginine 1.2405 1.6860 0.9312 1.2983 1.2077 1.2529 0.9409 0.9573 0.8637 0.7179 0.7634 1.0052 0.9453 0.8907 0.7378 0.8129 0.8415 0.9948 1.6864 1.5586 1.6251 1.2587 1.5228 1.6186 0.7413 0.3623 0.1835 0.3262 0.4125 0.3714 1.1881 1.1261 1.2662 1.2322 1.0895 1.3594 argininosuccinate Argininosuccinic acid 1.4256 1.7617 0.5565 0.7729 0.7705 0.6720 1.1744 0.9833 1.3829 0.7766 1.0226 1.6423 1.8979 1.0992 1.0242 0.5233 0.6438 1.0261 1.1119 1.3808 1.2594 1.3256 1.6732 0.8881 1.1811 0.2948 0.2596 0.4828 0.3407 0.3238 1.1175 0.4786 0.5687 0.7098 0.9129 1.0167 asparagine Asparagine 1.0469 1.2687 0.8479 0.9919 0.9439 0.9182 1.5631 1.3375 1.2139 1.1350 1.0680 1.3077 1.0096 1.0286 0.7369 0.8313 0.8497 0.8976 1.3168 1.0107 1.0702 0.8910 1.1828 1.4500 0.9085 0.7541 0.7528 0.6775 0.9893 1.2444 1.0081 0.8700 0.9579 0.9343 0.9443 1.1108 aspartate Aspartic acid 1.0680 1.1384 0.8646 1.0188 0.8760 0.7824 2.7613 2.3749 2.4122 2.2883 2.0140 2.6140 1.1887 1.1928 0.8179 0.8316 0.7587 0.8464 0.9315 0.8889 0.8960 0.7840 0.9142 1.0792 1.2455 1.0800 1.0388 0.9612 1.2121 1.3355 1.0713 0.8589 0.9045 0.9470 0.9509 0.9812 benzoylcarnitine* Benzoylcarnitine 1.0012 0.8890 0.6331 0.8040 0.4968 0.5871 2.2462 1.9539 2.0286 1.9082 1.8582 2.8149 1.3701 1.7417 0.8906 0.9988 1.0421 1.1809 1.1763 0.9999 1.1985 0.8159 1.0539 1.1970 1.0001 0.9160 0.9378 0.8069 0.8916 1.3068 1.2340 0.9479 0.7443 0.9224 0.7040 0.9074 beta-alanine beta-Alanine 0.5224 0.5342 0.4205 0.4976 0.3403 0.3406 1.6265 1.6748 1.6092 1.7636 1.6038 2.2313 1.8086 1.9818 1.1403 1.1244 1.1674 1.2875 0.9938 0.7584 0.8731 0.7606 0.8096 1.0062 1.1787 1.1096 1.0998 0.9886 1.3769 1.5065 0.7131 0.8756 0.6922 0.7323 0.6223 0.6781 beta-guanidinopropanoate 3-Guanidinopropanoic acid 0.9949 2.0890 1.0051 0.5786 1.0399 1.0526 0.9126 1.2022 0.8135 0.6221 1.0578 0.9379 beta-hydroxyisovaleroylcarnitine CAR 4:0;OH,Me 0.6855 0.9725 0.7937 0.9137 1.6512 0.4563 1.4682 1.0354 1.7740 1.1787 0.9920 1.7285 2.0145 1.3791 1.3625 0.9735 1.2020 1.0080 0.7214 0.6105 0.8561 0.7970 0.8789 0.6138 1.4076 1.1211 1.2522 1.3319 1.4536 1.2348 0.9592 0.5665 0.6920 0.7755 1.0758 0.6420 betaine Betaine 0.7001 0.6846 0.5561 0.5881 0.5126 0.4836 5.1021 5.2442 5.3742 5.1250 4.9670 6.4724 1.1632 1.0337 0.7022 0.6546 0.6789 0.8423 1.0527 0.9969 1.0031 0.9932 1.0275 1.0378 1.0108 0.8146 0.9367 0.8915 0.9744 1.1007 1.2240 1.0795 0.9663 1.1906 0.9174 1.0975 betaine aldehyde Betaine aldehyde 0.2083 0.4724 0.3950 0.8023 0.4983 0.5239 1.5369 1.4873 2 1.7507 1.1977 1.3711 butyrylcarnitine (C4) CAR 4:0 0.5107 0.6780 0.5976 0.4788 0.6822 0.4104 1.3362 1.7875 1.3469 1.0924 1.3854 1.9039 2.2725 2.5852 1.7429 1.8209 1.6752 2.2420 1.4484 0.4406 0.8548 0.4406 0.7310 0.6020 1.7293 1.1176 1 0.7869 2.7456 2.0377 0.7550 0.7668 0.7963 0.9076 0.6139 0.7626 cadaverine Cadaverine 0.4762 0.4762 0.4762 0.4762 0.4762 0.4762 0.9939 0.8354 1.2253 0.4762 1.0061 1.5666 0.4762 0.4762 0.4762 0.4762 0.4762 0.4762 0.4762 0.4762 0.4762 0.4762 0.4762 0.4762 carboxyethyl-GABA N-Carboxyethyl-gamma-aminobutyric acid 0.9845 0.7152 0.7630 0.8070 0.5428 0.6089 1.5388 1.8379 1.8627 2.0801 1.6878 2.2470 1.2462 1.0292 0.7230 0.5679 1.1337 1.0155 1.1298 0.8198 1.0226 0.8277 0.8433 0.7760 carnitine Carnitine 1.0621 0.9573 0.7158 0.8190 0.7565 0.6375 1.7107 1.7308 2.2224 2.2470 1.8306 2.4738 1.5196 1.2802 0.8677 0.8595 0.8143 0.9492 0.9397 0.8305 0.9308 0.7182 0.8227 0.8355 1.3334 1.0603 1.1528 1.0897 1.1698 1.3572 1.1187 0.9833 0.9538 1.0167 0.8751 1.0262 carnosine Carnosine 0.8235 0.7816 0.5343 0.7065 0.5699 0.5519 14.2027 14.3741 18.4560 17.8733 14.8521 19.4227 2.0432 1.9022 1.2695 1.1963 1.1765 1.5302 1.1014 1.0162 1.0446 0.8939 1.1113 0.9838 0.9259 0.9020 0.9596 0.9526 1.1877 1.2834 0.7114 0.6173 0.5178 0.6000 0.5086 0.6287 C-glycosyltryptophan C-Glycosyltryptophan 1.1525 1.1471 0.6469 0.8471 0.7393 1.0058 1.3247 1.1046 1.4133 1.3619 1.2058 1.5243 0.9204 0.9403 0.4355 0.5300 0.4335 0.6139 1.3422 1.3446 1.4319 1 1.3524 1.4613 0.7732 0.7129 0.7646 0.7129 0.7531 0.8597 1.1720 0.8821 0.9079 1.0058 0.9942 1.1326 choline Choline 1.0319 0.9526 0.7945 1 1 0.9899 1.1710 1.0218 1.0343 0.9851 0.9347 1.2167 1.8043 1.5400 1.2159 1.3639 1.4265 1.6043 0.8833 0.8425 0.7854 0.9389 0.8774 1.0141 1.1186 1.0477 1.1352 1.0046 0.9954 1.2424 0.9429 0.8658 0.9150 0.8767 0.8278 0.9090 citrulline Citrulline 0.4281 0.3744 0.3114 0.4467 0.2929 0.3843 2.1723 2.2273 1.4089 2.0300 2.2828 2.7554 1.6468 2.3371 1.0653 1.4508 1.3724 1.4368 0.8683 0.6366 0.6593 0.7456 0.7610 1.0624 1.1018 1.1350 1.1193 0.9426 1.0574 1.3937 0.8487 0.9347 0.8048 0.7942 0.7622 0.8070 CMP CMP 0.8269 0.8238 0.7156 0.8163 0.7934 0.7183 1.9112 1.4400 1.7925 1.6737 1.5710 1.8172 1.8263 1.7820 1.2587 1.2300 1.1731 1.3179 0.9032 0.9958 0.9821 0.9734 0.9120 0.9057 1.2240 1.0520 1.1637 1.0980 1.0042 1.1987 0.6337 0.5412 0.5814 0.5643 0.5720 0.6691 creatine Creatine 0.5600 0.4836 0.4208 0.4879 0.3451 0.3377 4.8210 4.7483 4.4610 4.7976 4.7260 5.5819 1.8488 2.0790 1.2561 1.2693 1.2692 1.3905 1.1233 0.9653 1.0446 0.9231 0.9985 1.1212 1.0015 0.9178 0.8657 0.8299 1.0383 1.1709 0.7036 0.7439 0.6268 0.6720 0.5579 0.7023 creatinine Creatinine 0.8056 0.7960 0.5644 0.5877 0.6199 0.6079 2.7299 2.7808 3.0669 2.8305 2.5995 3.6384 1.2077 1.1219 0.8321 0.8008 0.8628 1.0420 1.1699 1.2185 1.1606 1.1306 1.1708 1.1018 0.7861 0.8133 0.7523 0.7847 0.7831 0.8982 0.9882 1.0522 0.9227 1.0118 0.7925 1.0473 cystathionine Cystathionine 0.3044 0.2609 0.1914 0.1807 0.1796 0.1653 2.0831 1.9500 1.9151 1.9953 1.9768 2.8486 3.2078 2.1446 1.8692 1.3062 1.2837 1.8369 0.6024 0.6714 0.6801 0.6401 0.6805 0.5748 1.8538 1.4047 1.5550 1.3195 1.4736 1.7989 0.7163 0.3878 0.3461 0.4796 0.5288 0.4479 cysteine Cysteine 0.9226 0.8775 0.6070 0.7935 0.6156 0.6065 2.6003 2.1096 2.3559 2.2840 2.0237 2.7199 1.3158 1.2949 1.0086 1.0059 0.9941 1.2066 1.0708 1.0514 0.8674 0.7331 1.0740 1.1141 1.0259 0.8276 0.9741 0.8259 0.9544 1.0311 1.1714 0.8527 0.8116 0.9735 0.9312 0.9763 cysteine-glutathione disulfide S-Glutathionyl-cysteine 0.3049 0.2910 0.1561 0.1510 0.2700 0.2442 2.5562 5.7542 6.9572 5.6356 6.0673 7.9276 7.8298 6.8179 4.1568 1.9100 1 3.1711 0.9676 0.8020 0.9235 0.6004 0.8746 0.8911 1.1786 1.2629 1.0928 1.0324 1.4628 1.3190 0.6473 0.2113 0.1510 0.2646 0.3066 0.2515 cysteinylglycine Cys-Gly 0.3096 0.2721 0.2428 0.3381 0.2484 0.3427 7.4053 14.8876 24.6920 12.2670 17.2946 45.1232 12.0795 15.4902 5.5710 2.1583 1.0587 3.8629 0.9506 0.9852 0.8501 0.5851 0.5831 0.8374 1.4698 1.3977 1.2766 1.0148 1.4197 2.0543 0.9413 0.3369 0.3509 0.3524 0.2928 0.3230 cysteinylglycine disulfide* Cysteinylglycine disulfide 0.4064 0.4064 0.4064 0.4064 0.4064 0.4064 0.6047 0.8509 1.6231 0.5714 1 2.3929 1.0291 1.7323 1.0864 0.4064 0.4064 0.8765 0.4064 0.4064 0.4064 0.4064 0.4064 0.4064 cystine Cystine 1.1735 1.1444 0.9311 0.9993 0.9523 0.8424 1.6216 0.8675 0.7949 0.9384 0.8048 1.0103 0.6920 0.8346 0.8229 1.3042 1.4399 1.3286 1.3993 1.1931 0.9868 0.7061 1.0058 1.2926 0.8841 0.9942 0.9005 0.7892 1.1466 1.1587 1.0007 1.0896 1.1511 1.0477 0.8897 1.0838 cytidine Cytidine 0.7746 0.6944 0.5083 0.5838 0.4466 0.5177 2.0381 1.7550 2.0253 1.6298 1.5938 2.2261 1.6611 1.6423 1.1793 1.1849 1.0995 1.3006 1.1504 1.0728 1.0742 0.9122 1.0227 1.0884 1.1714 0.9773 0.8364 0.7107 0.8774 0.9745 0.9005 0.6709 0.6979 0.7379 0.6969 0.7074 cytosine Cytosine 0.7822 0.7212 0.5404 0.5939 0.4691 0.5324 1.8398 1.5978 1.7677 1.5544 1.4477 2.0494 1.6410 1.5888 1.1611 1.1876 1.1211 1.2901 1.2991 0.8221 0.6770 0.8129 1 0.6545 0.6545 1.6398 1.5065 1.0134 0.7860 1.8177 0.8789 0.7162 0.7538 0.7446 0.6907 0.7499 dCMP dCMP 1.0838 1.0447 1.0995 1.2017 1.2369 1.1840 0.9553 0.7699 0.9047 0.8602 0.9064 0.8490 deoxycarnitine 3-Dehydroxycarnitine 0.8025 0.7152 0.5160 0.6486 0.5028 0.4770 4.4546 4.0190 5.1515 5.3848 4.3410 6.2498 1.8077 1.5956 1.0390 0.9817 0.8546 1.1238 1.0187 1.0963 0.9163 0.9569 1.0350 1.0469 0.9813 0.8044 0.9170 0.8767 1.0433 1.0909 1.1400 0.8711 0.7669 1.0183 0.8535 0.9250 diacetylchitobiose N,N'-Diacetylchitobiose 1.5642 1.2774 1.1955 1.6920 1.8481 1.7195 1.0035 0.9020 1.0565 0.7205 0.6008 0.6689 0.8192 0.6045 0.7135 0.8109 0.9845 0.7674 1.2392 0.9965 1.1783 1.2986 0.8836 1.3412 dimethylarginine (ADMA + SDMA) Dimethylarginine 1.0523 1.3776 0.9719 0.9924 1.1549 1.0918 1.6279 1.2476 1.2940 1.0966 1.1331 1.4869 0.7908 0.8719 0.6493 0.6772 0.7102 0.8062 1.3546 1.2085 1.0194 0.9229 1.3488 1.5216 0.9806 0.7338 0.7367 0.6318 0.8282 1.0786 0.9401 0.8701 0.9357 0.9971 1.0029 1.2601 dimethylglycine Dimethylglycine 0.9615 0.9950 0.6439 1.0357 0.6822 0.7429 2.2612 2.1123 2.1676 2.2805 2.0440 2.6045 1.7110 1.0738 0.7687 1.3157 0.6204 0.8882 0.8688 1.0362 1.1666 0.9645 0.9008 1.2078 0.7776 1.2890 0.7697 0.8584 1.3963 1.0355 1.0476 0.9923 0.9565 1.0050 0.8784 0.8826 ectoine Ectoine 0.3467 0.3467 0.4991 0.3467 1.1415 0.3467 0.9916 1.0006 1.6120 2.0249 1.2630 0.9994 1.7362 1.0879 1.5001 0.5559 0.3467 0.7959 0.4650 0.3467 0.4921 0.4699 7.4043 0.3467 ergothioneine Ergothioneine 1.0642 1.1966 1.0743 0.9973 1.2636 1.1101 1.0027 0.7056 0.8028 0.7718 0.8093 0.9111 formiminoglutamate Formiminoglutamic acid 0.8309 0.8792 0.1495 0.1836 0.5330 0.1495 0.1495 2.2679 2.3049 2.0504 2.1140 2.9445 1.6191 1.7550 0.9933 0.8430 1.0222 1.5806 0.9554 0.1495 1.0067 0.9157 0.8557 0.1495 fructosyllysine Fructosyllysine 0.5694 0.5694 0.6466 0.5694 0.5694 0.5989 1.7311 1.7558 2.6348 1.6301 1.5885 2.1641 0.5694 0.9964 0.5694 0.5694 0.5694 1.0624 1.2668 0.9028 0.8513 0.4588 1.0215 0.8923 0.9785 2.0470 0.9681 1.2125 1.5303 2.0044 1.3311 0.7016 0.7381 1 0.8382 0.8551 gamma-glutamyl-2-aminobutyrate gamma-Glutamyl-2-aminobutanoate 0.6699 0.7246 0.3741 0.3715 0.5460 0.5193 1.3102 1.0786 1.5736 1.0274 1.0392 1.2854 2.3394 2.1132 1.3873 1.4409 1.3919 1.5119 0.9726 0.6046 0.7081 0.8509 0.8357 0.8769 gamma-glutamylalanine gamma-Glutamylalanine 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 3.3454 5.6890 6.9491 11.4195 9.8294 10.1030 2.9323 3.2222 1.4239 0.7392 0.4566 1 0.3481 0.0429 0.0163 0.0596 0.0884 0.0243 gamma-glutamyl-alpha-lysine gamma-Glutamyllysine 0.6784 0.4525 0.3916 0.5872 0.2776 0.3375 4.7417 2.4063 4.1766 4.3262 3.3455 4.4045 1.7236 1.8244 1.0284 0.9292 1.0936 0.9716 1.3107 0.5419 0.7043 0.9039 1.0373 0.7622 gamma-glutamylcitrulline* 0.3439 0.3439 0.3439 0.3439 0.3439 0.3439 0.3439 1.0905 1.5817 1.3197 1.1143 1.4823 0.9095 0.6749 0.3815 0.3439 0.3439 0.4596 0.0630 0.0630 0.0630 0.0630 0.0630 0.0630 1.1104 1 1.8313 1.5062 0.4496 0.6492 0.3439 0.3439 0.3439 0.3439 0.3439 0.3439 gamma-glutamylcysteine gamma-Glutamylcysteine 0.5930 0.5778 0.6384 0.5690 0.5227 0.3886 1.8591 1.5734 1.6921 1.5910 1.3616 1.7430 gamma-glutamyl-epsilon-lysine Epsilon-(gamma-Glutamyl)-lysine 0.5883 0.6691 0.3189 0.3189 0.3189 0.4902 2.1883 0.3189 1.8548 0.7862 0.8179 0.9828 1.2670 1.1546 1.1071 1.2014 0.9875 1.3254 0.3055 0.3780 0.4348 0.3943 0.4274 0.2802 2.0272 1.5652 2.0819 2.0167 2.2428 2.2839 1.1956 0.4871 0.5509 1 1.3495 1.0134 gamma-glutamylglutamate gamma-Glutamylglutamic acid 0.0339 0.0103 0.0119 0.0323 0.0077 0.0125 4.6441 5.0873 7.0822 7.0415 6.0548 8.1384 2.5089 2.9639 1.5147 1.2474 1.0514 1.2175 0.6315 0.7225 0.7543 0.6860 0.5184 0.5126 1.4352 1.5608 1.2650 1.2999 1.2457 1.6350 0.9486 0.2613 0.1131 0.1942 0.2592 0.0824 gamma-glutamylglutamine gamma-Glutamylglutamine 0.0456 0.0456 0.0456 0.0456 0.0456 0.0456 3.9096 5.2041 6.4591 4.7696 4.8310 6.4629 1.6704 1.5736 0.8699 0.5104 0.3213 1 0.1358 0.1358 0.1506 0.1524 0.1441 0.1376 1.5015 1 1.1656 1.1826 1.0619 1.6717 1.1384 0.1885 0.0890 0.2010 0.3388 0.1212 gamma-glutamylglycine gamma-Glutamylglycine 0.0681 0.0235 0.0235 0.0736 0.0235 0.0235 6.2808 4.7303 6.5579 7.7253 6.4639 7.7869 1.9146 2.0165 1.1352 1.0984 0.7878 1 0.6631 0.6121 0.6720 0.5914 0.6528 0.7121 1.5574 1.2943 1.2879 1.3106 1.6313 1.6227 0.9409 0.3954 0.2208 0.3862 0.4474 0.2309 gamma-glutamylhistidine gamma-Glutamylhistidine 0.2959 0.2296 0.1781 0.2728 0.1106 0.1176 7.3142 5.0121 6.0489 6.8420 6.5534 8.0990 2.0333 2.3538 1.2803 1.0983 1.0593 1.1336 0.4994 0.4994 0.4994 0.6153 0.4994 0.4994 1.2530 1 1.0375 0.4994 0.4994 0.4994 0.9407 0.4534 0.4192 0.5329 0.6798 0.4957 gamma-glutamylisoleucine* gamma-Glutamylisoleucine 0.6700 0.3953 0.3350 0.5296 0.2538 0.3056 3.6155 2.4887 3.6153 3.8590 2.7957 3.8911 1.6848 1.7766 1.0164 0.9950 1.0050 1.2261 0.4989 0.4512 0.5522 0.4346 0.3991 0.4246 1.7201 1.4519 1.5454 1.5426 1.4478 1.7731 1.2010 0.5940 0.5283 0.7419 0.7721 0.7666 gamma-glutamylleucine gamma-Glutamylleucine 0.5397 0.2825 0.3436 0.5159 0.2405 0.2669 4.7972 2.9874 4.1350 4.3512 3.4743 4.8011 1.7015 1.8667 1.1966 1.0369 0.9631 1.0689 0.5626 0.5380 0.5647 0.5667 0.5751 0.4854 1.9267 1.4249 1.5744 1.4333 1.5541 1.7467 1.3748 0.5089 0.5277 0.7067 0.8304 0.6603 gamma-glutamylmethionine gamma-Glutamylmethionine 0.0135 0.0135 0.0135 0.0135 0.0135 0.0135 1.6612 2.2446 2.4641 2.0283 1.9688 2.9012 2.0856 2.1596 1.3095 0.7940 0.4978 1 0.6454 0.6454 0.6454 0.6454 0.6454 0.6454 1.1571 0.9815 1.2549 0.9995 0.6454 1.0005 0.5018 0.0748 0.0465 0.0854 0.1269 0.0511 gamma-glutamylphenylalanine gamma-Glutamylphenylalanine 0.4465 0.2257 0.2388 0.3971 0.1609 0.1834 6.3831 4.1652 4.6843 5.7044 5.0371 6.2730 1.7951 1.8777 1.2119 1.0511 0.9774 1.0850 1.0226 0.4411 0.3830 0.5572 0.7266 0.5662 gamma-glutamylserine gamma-Glu-Ser 0.0755 0.0268 0.0317 0.0648 0.0268 0.0268 4.4469 3.6175 6.0464 5.2438 4.4824 5.4034 2.3850 1.9992 1.2960 0.9341 0.7390 1.1000 0.4388 0.4349 0.4506 0.5401 0.4500 0.7159 2.5851 1.9020 2.0198 2.2570 1.2841 1.5828 1.0659 0.2633 0.1536 0.2992 0.4651 0.1953 gamma-glutamylthreonine gamma-Glutamylthreonine 0.4118 0.2613 0.2270 0.3031 0.1381 0.1886 5.9530 3.9741 3.9051 6.3898 5.4055 7.1760 1.9939 2.2777 1.3070 1.0887 1.1349 1.2951 0.4718 0.5559 0.5066 0.4664 0.5080 0.4383 1.9134 1.4441 1.8364 1.6572 1.4747 1.5141 0.9113 0.7572 0.5502 0.7030 0.5884 0.7636 gamma-glutamyltyrosine gamma-Glutamyltyrosine 0.3016 0.1348 0.1954 0.2711 0.0878 0.0997 5.8444 3.9950 5.1421 5.5540 5.0581 6.4743 2.0876 2.0487 1.3922 1.1629 0.9569 1.1919 1.0431 0.3894 0.3314 0.5385 0.6724 0.4786 gamma-glutamylvaline gamma-Glutamylvaline 0.7676 0.4999 0.4441 0.5193 0.3185 0.2803 4.2145 2.2498 4.0010 3.7003 2.7977 3.6262 1.8877 2.0419 1.2903 1.3162 0.9600 1.2831 0.3355 0.3407 0.4138 0.4100 0.3888 0.3029 2.2569 1.7487 1.7942 1.5862 1.6196 1.8464 1.0400 0.6713 0.6898 0.7124 0.8530 0.6310 glutamate Glutamic acid 0.9901 0.9366 0.8239 0.9307 0.7580 0.7035 2.4797 2.1844 2.2316 2.2810 2.1281 2.8736 1.3230 1.3755 0.9354 1.0401 0.9865 1.0755 1.1012 0.9294 0.9871 1.0128 1.0234 1.2159 1.2913 1.1391 0.9872 0.9332 0.8915 0.9753 1.1301 0.9971 0.9470 1.0029 0.9066 0.9387 glutamate_ gamma-methyl ester Glutamic acid, gamma-methyl ester 0.5802 0.6954 0.3424 0.5319 0.3952 0.6334 7.9825 7.5324 13.6614 5.3064 8.2510 25.2831 4.3612 9.6088 2.1810 1.1767 0.8233 1.5524 1.1383 0.7313 1.0582 0.5840 0.9715 1.0285 1.0819 0.7606 0.8315 0.5429 1.4275 1.5357 1.2095 0.6654 0.5636 0.7722 0.6429 0.6868 glutamine Glutamine 1.1055 1.5910 0.5485 1.0774 0.8432 0.8278 1.6228 1.3538 1.2618 1.0333 1.0049 1.3487 0.3142 0.3221 0.1958 0.2096 0.1651 0.3057 1.2685 0.8212 1.1788 0.5935 1.2422 1.5020 0.7963 0.4291 0.5537 0.4787 1.5680 1.7335 1.0833 0.9511 0.8173 1.0149 0.9951 1.2761 glutamine_degradant* 0.9294 0.8993 0.8080 0.9454 0.6456 0.6348 5.8286 5.5593 5.5563 6.1798 5.6569 6.9357 1.5740 1.7475 0.9527 1.0152 1.0501 1.1628 1.2903 1.1107 1.1855 0.9968 1.1252 1.2806 0.8159 0.7770 0.7391 0.7674 0.9179 1.0032 0.9848 1.0793 0.8583 0.9538 0.7783 0.9626 glutathione_ oxidized (GSSG) Oxidized glutathione 0.1006 0.1006 0.1006 0.1006 0.1006 0.1006 0.1006 1 1.1363 0.9054 1.1002 1.7496 2.7215 2.0260 0.6441 0.1011 0.1006 0.2612 0.7886 0.5297 0.6936 0.4026 0.5813 0.4644 1.5171 1.7786 1.3689 1.2114 2.9841 2.6340 0.1006 0.1006 0.1006 0.1006 0.1006 0.1006 glutathione_ reduced (GSH) Glutathione 0.5935 0.3736 0.1487 0.2530 0.3355 0.2493 3.4425 11.4056 26.4146 19.0992 14.4737 17.0721 41.0875 18.8180 10.5838 1.9766 0.9947 4.4605 0.4856 0.9230 0.8601 1.1343 1.2349 0.5199 2.4619 0.9940 1.6827 1.5533 0.7967 1.0060 1.0053 0.1736 0.1867 0.3248 0.4406 0.3373 glycerol 3-phosphate sn-Glycero-3-phosphate 0.9826 0.7232 0.7131 0.7547 0.9320 1.0891 1.2845 0.8137 0.8803 1.0167 0.9727 1.1450 1.9975 1.4793 1.2042 1.3856 1.3950 1.3829 1.0252 0.8877 0.8225 0.9740 0.8072 0.9823 1.7461 1.6298 1.2585 1.1636 0.9110 1.0177 0.8965 1.0139 1.3593 0.9861 0.9382 0.8987 glycerophosphoethanolamine sn-Glycero-3-phosphoethanolamine 0.9835 0.9446 0.8169 1.0247 0.9321 0.7944 1.1180 1.0597 1.1128 1.1036 1.0539 1.3321 1.1353 1.0676 0.8299 0.8883 0.9147 1.0165 0.9749 0.9875 0.8243 0.9770 0.9000 1.0125 1.2273 1.2503 1.1063 1.0187 0.9595 1.0543 0.9415 0.9525 1.0199 1.0691 0.9032 0.8868 glycerophosphorylcholine (GPC) sn-Glycero-3-phosphocholine 0.9457 0.9198 0.8505 1.1217 1.0110 0.8654 1.0004 0.9199 0.9996 0.9564 0.9823 1.2506 1.6553 1.5642 1.2855 1.3304 1.3813 1.5656 0.9789 0.9224 0.8153 0.9392 0.8248 1.0211 1.1177 1.1726 1.1273 1.0347 0.9062 1.0819 0.9816 0.9805 1.0668 1.0729 0.9178 0.9386 glycerophosphoserine* sn-Glycero-3-phosphoserine 0.9732 1.0031 0.9969 1.0624 1.1108 0.9879 1.0582 0.9050 0.8979 0.9164 0.8105 0.9716 1.4286 1.3829 1.1187 1.2541 1.2212 1.3117 1.7110 1.2768 1.5271 1.2677 1.3511 1.7313 0.6047 0.5841 0.5520 0.5241 0.6467 0.7323 0.9898 0.9718 1.1676 0.9850 0.9578 1.0311 glycine Glycine 0.8725 0.8826 0.5666 0.6910 0.7046 0.6330 2.1363 1.8271 2.4779 1.9037 1.8261 2.4025 1.3429 1.0959 0.9612 0.8438 0.8112 1.1583 0.9800 1.0439 0.8367 0.9995 1.1168 1.0780 1.1854 0.8688 1.0005 0.9044 0.8997 1.0356 1.0918 0.8091 0.7970 1.0388 0.9511 1.0773 glycylisoleucine Gly-Ile 1.0871 1.0472 1.1196 0.7852 1.0008 1.2860 0.3036 0.2949 0.2949 0.4252 0.8901 1 glycylleucine Gly-Leu 0.8947 1.4346 0.8823 1.1334 1.3797 1.3774 0.8468 1.0141 0.7634 0.5753 0.6460 0.9859 1.2494 1.1937 0.8652 0.9543 0.8673 1.2230 1.1573 0.8735 1.3705 0.7942 1.1265 1.3046 0.4702 0.4415 0.6105 0.6164 1.8939 1.8090 0.9704 1.2745 1.2660 1.0569 0.8417 1.2770 glycylvaline Gly-Val 0.6914 1.1834 0.6292 0.7901 0.9228 0.9551 1.0461 1.1552 1.0301 0.6709 0.8054 1.1732 1.1041 1.1685 0.8397 0.7612 0.8166 1.0645 1.1257 0.9078 1.2382 0.8089 1.1343 1.4148 0.5018 0.3962 0.5474 0.6048 1.0922 1.2507 1.1042 1.0854 1.1545 0.9699 0.8796 1.0925 guanidinoacetate Guanidoacetic acid 0.3290 0.2262 0.2262 0.2262 0.2262 0.2262 0.3562 0.4986 0.8214 1.1786 0.8027 0.2262 8.8499 6.9935 4.5947 3.7872 3.6412 4.6384 1.0505 1.4397 1.3418 1.1806 1.5932 1.3872 0.9495 0.7016 0.7575 0.7616 0.6962 0.7737 0.2262 0.2262 0.2262 0.2262 0.2490 0.2262 guanine Guanine 1.1456 1.2916 0.6354 0.8786 0.7249 0.6478 1.8932 1.6636 1.9246 1.8124 1.4717 1.9586 1.3877 1.1387 0.8174 0.9334 0.9095 1.0387 1.4037 0.9198 0.9833 0.6820 1.0550 1.2910 1.0463 0.8631 0.8727 0.7684 1.0167 1.1224 1.2747 0.6901 0.7464 0.8256 0.9613 0.8204 hexanoylcarnitine (C6) CAR 6:0 0.6769 0.5849 0.5849 0.5849 0.5849 0.5849 0.6362 1.5260 1.0624 0.8368 0.9739 1.4231 1.8524 2.1230 1.3397 1.0261 0.8662 1.7544 0.9443 0.5849 0.5849 0.5849 0.5849 0.6924 homoarginine Homoarginine 0.3703 0.4660 0.3719 0.2311 0.3740 0.9430 2.9024 3.3410 3.2020 3.0501 3.2947 5.6124 2.1686 1.4240 1.0951 0.7103 1.0570 0.7708 1.0724 1.1051 0.5549 0.9085 0.8488 0.8689 homocitrulline Homocitrulline 0.2714 0.2714 0.2714 0.2714 0.2714 0.2714 1.4084 1.6343 0.5749 1.1721 1.5067 1.9860 0.2714 0.8279 0.2714 0.5189 0.5081 0.2714 0.2714 0.2714 0.2714 0.2714 0.2714 0.2714 homocysteine Homocysteine 1.1993 1.1318 1.0142 1.1375 1.0882 1.1666 0.9858 0.8815 0.7094 0.6798 0.4880 0.6492 homostachydrine* (S)-Homostachydrine 0.9012 1.0137 0.9622 0.8064 0.5582 0.4320 3.7974 3.6585 4.1378 3.9733 3.6331 5.4413 1.8819 1.5069 0.9863 1.0522 1.1875 0.8405 1.1485 1.0443 1.0766 0.9825 1.1078 1.1657 0.9312 0.7440 0.7352 0.6751 1.0175 0.8948 1.0685 0.9471 0.6000 0.8865 0.9775 0.9093 hydroxyasparagine Hydroxyasparagine 0.8150 0.9830 0.3488 0.3488 0.3488 0.3488 0.3488 1.5301 0.9819 0.3488 2.4311 2.1380 0.3488 0.3488 0.3488 0.3488 0.3757 0.5164 1.1068 1.0170 0.3488 1.2714 0.8004 1.3252 hydroxy-N6_N6_N6-trimethyllysine* 0.8766 0.9961 1.0573 0.8801 1.0323 1.0085 1.0509 0.8761 1.0039 0.8654 0.9949 1.1132 hydroxyproline Hydroxyproline 0.5937 0.5949 0.4453 0.4709 0.3829 0.4107 1.9616 1.9843 1.9695 1.9433 2.0003 2.5042 1.5029 1.4146 0.9947 1.0053 1.0504 1.1929 0.8346 0.7674 0.8522 0.7923 0.8058 0.7701 1.3210 1.1507 1.1478 1.1741 1.3162 1.4967 1.0096 0.9747 0.8915 0.9366 0.7614 0.9596 hypotaurine Hypotaurine 0.9553 0.8478 0.6403 0.9041 0.5854 0.5847 3.5316 3.2790 3.8088 3.9044 3.5709 4.5454 1.7583 1.6698 1.0274 0.9543 0.8476 1.1511 0.9668 1.0008 0.9992 0.9408 1.0279 1.0542 1.0701 0.9166 0.9036 0.8835 1.0782 1.2049 1.0398 0.9726 0.7574 1.0484 0.8053 0.9552 imidazole lactate Imidazolelactic acid 0.4509 0.3806 0.2974 0.2990 0.2791 0.2586 3.9610 4.5234 4.4362 4.7969 4.8310 5.8573 2.3416 2.0945 1.2757 1.2932 1.2856 1.5068 1.4666 1.5666 1.4581 1.4271 1.7437 1.6165 0.4476 0.4147 0.4240 0.4209 0.4914 0.5729 0.7243 0.5612 0.4881 0.5890 0.5424 0.5691 imidazole propionate Imidazole propanoate 0.9319 0.7012 0.4617 0.5409 0.6337 0.5788 4.0806 4.3408 6.0241 6.0713 4.7845 6.7468 1.4090 1.1325 0.8532 0.7166 0.8445 1.1409 1.1424 1.4917 1.3293 1.1431 1.3445 1.1980 0.8576 0.6423 0.7214 0.6863 0.6602 0.8122 1.0900 0.9279 0.7151 1.0681 0.7781 1.0775 inosine 5^-monophosphate (IMP) IMP 1.0174 0.5161 0.5785 0.6930 0.5139 0.5329 4.2307 3.9123 8.0243 5.8216 6.2834 9.3832 2.4304 1.6443 1.1240 0.9826 0.8003 1.5039 0.7998 1.6238 0.9936 2.1335 1.2780 1.0064 1.7728 1.2453 0.8845 0.9179 0.3878 0.6666 1.2474 0.5918 0.5293 0.5137 0.7898 0.7231 isobutyrylcarnitine (C4) CAR 3:0;2Me 0.7247 0.4806 0.3423 0.3765 0.2878 0.2027 1.9845 2.3004 2.0325 2.8375 2.8965 3.4779 3.1932 2.1495 1.5170 1.2995 1.2536 1.3757 0.9597 0.8568 1.0134 0.7346 0.6038 0.4529 2.0559 1.5496 1.4800 1.2156 1.3744 0.9866 0.7464 0.3337 0.3688 0.4437 0.5545 0.3495 isoleucine Isoleucine 0.9923 1.0800 0.7305 0.9284 0.8745 0.8770 1.1157 1.1310 1.0631 1.0247 0.9956 1.2217 1.3781 1.2816 0.9834 0.9881 1.0044 1.1985 1.1679 0.9481 1.0043 0.9589 0.9733 1.2006 1.1571 0.9957 0.9786 0.9290 1.1091 1.2746 1.0644 0.8945 1.0394 0.9844 0.9024 0.9950 isoleucylhydroxyproline* Isoleucylhydroxyproline 1.0534 0.9382 1.1124 0.9466 0.9098 1.0694 0.9098 0.9098 0.9098 0.9098 0.9098 0.9098 isovalerylcarnitine (C5) CAR 4:0;3Me 0.5084 0.4782 0.3757 0.3533 0.3235 0.2821 1.8688 1.7422 1.6072 2.2008 1.8195 2.6921 2.1590 2.2123 1.4372 1.4037 1.3894 1.4842 0.9591 1.1119 0.8311 0.8312 0.7961 0.4179 1.5777 1.3515 1.1187 1.0409 1.5126 0.8128 0.6106 0.4476 0.4393 0.4427 0.4116 0.4927 kynurenate Kynurenic acid 0.2002 0.2704 0.2982 0.1630 0.2252 0.2151 1.1472 1.0287 0.9552 1.0210 0.9790 1.3627 2.1977 2.0896 1.4253 1.5240 1.4439 1.7502 0.9261 0.9521 0.8647 0.8707 1.0366 0.9939 1.0670 0.9166 1.0061 1.0320 1.1632 1.1600 1.2416 0.9664 0.8642 0.8407 0.9539 1.0619 kynurenine Kynurenine 0.2032 0.2375 0.1771 0.1584 0.1449 0.1744 0.8991 0.8318 0.7776 0.8291 0.8097 1.1523 1.6426 1.6706 1.2040 1.1974 1.1838 1.3407 0.7043 0.6187 0.8138 0.6841 0.7087 0.7651 1.5402 1.4013 1.2353 1.1862 1.5401 1.5786 1.2141 1.0669 1.0465 1.0181 0.9819 1.2713 lanthionine Lanthionine 0.5170 0.5170 0.5170 0.5170 0.5170 0.5170 9.1850 4.6374 4.6901 6.3022 5.1050 5.6866 1 0.8202 0.5170 0.5170 0.5170 0.8652 0.8685 0.5170 0.5170 0.5170 0.7423 0.8090 leucine Leucine 0.9976 1.3693 0.8764 1.0262 1.0666 1.0024 1.1324 1.0334 0.9933 0.9449 0.8396 1.1729 1.1202 1.1234 0.8255 0.9176 0.9031 1.0366 1.1067 0.9415 0.9803 0.8857 1.0443 1.1716 1.0197 0.8512 0.8343 0.7497 1.0546 1.1387 1.0197 0.8890 0.9757 0.9625 0.9411 1.0889 leucylglutamine* Leu-Gln 1.4213 1.6968 0.7315 1.2475 1.5223 1.5887 0.9146 0.7090 0.6032 0.6032 0.6032 0.9447 0.6032 0.9814 0.6948 1.0186 0.6032 1.1499 1.0079 0.5637 1.3651 0.5533 0.9573 0.9124 0.5533 0.5533 1.1912 0.9921 2.0714 2.3323 0.9078 1.1199 1.3255 0.9070 0.7372 1.0194 leucylglycine Leu-Gly 1.2589 2.1282 1.0045 1.3845 1.5934 1.6240 0.6861 0.6233 0.6020 0.2605 0.3039 0.4212 1.3033 0.9231 0.9060 0.9315 0.8222 1.0819 1.0293 0.8771 1.3599 0.8118 0.9707 1.3278 0.8571 0.6688 0.9496 1.0871 2.5709 2.7472 0.9955 1.3785 1.1389 1.2069 0.8900 1.2495 lysine Lysine 1.0106 1.1471 0.7665 0.9372 0.9894 0.9719 1.1057 1.0818 0.9853 0.9099 0.9305 1.1468 1.1826 1.0555 0.8827 0.9438 0.9681 1.1629 1.1709 0.9551 0.9842 0.9698 1.0154 1.2399 1.1231 0.9291 0.9846 0.8872 1.0218 1.2231 1.0381 0.9180 1.0897 1.0371 0.9435 1.0923 methionine Methionine 1.1212 1.5054 0.9226 1.1045 1.2635 1.1648 1.0721 0.8953 0.9024 0.6862 0.6839 0.9163 1.1186 1.0199 0.8295 0.8796 0.8580 1.0623 1.1722 1.0388 1.0094 0.9557 1.1093 1.2423 0.9906 0.7841 0.7785 0.7598 0.9260 1.0867 1.0617 0.9228 0.9968 1.0032 0.9903 1.2009 methionine sulfone Methionine sulfone 0.3807 0.3239 0.2540 0.1890 0.3696 0.2508 2.7103 2.4758 2.1419 2.4622 2.7540 3.2835 2.4600 1.8648 1.5061 1.1997 1.2815 1.7330 0.9310 0.9572 0.8623 0.9912 1.0088 0.7309 1.5999 1.2892 1.3321 1.3070 0.7599 1.1856 0.7926 0.7647 0.6267 0.7247 0.7986 0.8003 methionine sulfoxide Methionine sulfoxide 0.8622 1.0934 0.7147 0.8072 0.9463 0.8662 1.6266 1.5223 1.3016 1.3310 1.5301 1.8942 1.4274 1.4143 0.9635 1.0076 0.9775 1.1598 0.9661 0.8990 1.0300 0.9331 0.9700 1.1164 1.1709 1.1310 0.9574 0.9651 1.1896 1.4327 0.9832 0.9418 0.9924 0.9698 0.8683 1.1130 methylphosphate Methanolphosphate 2.5136 2.7866 1.9455 2.4186 3.0726 3.0685 1.1987 0.7345 0.8531 0.7203 0.7181 1.0522 0.9413 1.0463 0.7166 0.7240 0.7723 0.8284 1.1683 1.0054 1.0506 0.8754 0.9946 1.1158 0.8900 0.7679 0.9259 0.8470 1.1597 1.1696 0.7748 1.0738 1.3839 0.9537 0.7717 1.1087 N1-methylinosine 1-Methylinosine 1.7108 0.7995 1.5113 1.2342 1.2005 1.4709 0.3419 0.3926 0.3419 0.3419 0.5905 0.6492 (N(1) + N(8))-acetylspermidine Asparagine 0.4382 0.4382 0.4382 0.4382 0.4382 0.4382 5.2449 5.2646 4.2785 4.4147 4.4941 5.7822 1.6105 1.3419 0.7412 0.7723 0.8218 1.0788 1.4054 1.0070 1.0417 0.5527 1.0996 0.8779 0.9930 0.9336 0.9654 0.8100 1.2851 1.4746 0.9212 0.5732 0.4382 0.7034 0.6254 0.6269 N2_N2-dimethylguanosine N2,N2-Dimethylguanosine 0.5311 0.6199 0.4939 0.4669 0.4214 0.4403 1.8120 2.0695 1.9097 1.6670 1.6147 2.0820 1.3309 1.1109 0.7634 0.9262 1.0005 1.0571 1.4084 0.9873 1.0991 1.0207 1.0127 1.2700 0.8321 0.7982 0.9012 0.7763 0.6614 1.0310 1.3423 0.8492 1.0254 0.9995 0.7659 0.9755 N4-acetylcytidine N4-Acetylcytidine 0.3717 0.8135 0.3717 0.7590 0.3717 0.3717 1.4889 1.9580 1.0196 1.0943 1 1.6708 0.3717 1.5475 0.3717 0.5089 0.3717 0.3717 0.3717 0.7832 0.3717 0.3717 0.4466 0.3717 N6-methyllysine N(6)-Methyllysine 0.6914 0.7028 0.5462 0.6586 0.6947 0.8026 2.2166 2.0357 1.9986 2.0298 2.1190 2.7089 1.2042 1.1991 0.7265 0.7509 0.7193 1.0262 0.9669 0.8787 0.9707 0.9886 0.9130 0.9848 1.2837 1.0114 1.1085 1.1061 1.0973 1.2496 1.1703 0.9636 0.9549 1.0352 0.9738 1.1224 N6_N6-dimethyllysine N(6),N(6)-Dimethyl-lysine 0.5264 0.3900 0.3900 0.5063 0.5630 0.7979 2.0655 2.0388 1.9202 1.9400 2.0166 2.5284 0.7904 0.7048 0.5519 0.3900 0.5426 0.5884 0.9302 0.9758 0.8356 1.3921 1.1971 1.4992 1.2628 0.9188 1.0242 1.0248 0.8694 0.9653 1.3583 0.9130 1.0870 1.2173 1.0947 1.4070 N6_N6_N6-trimethyllysine N-6-Trimethyllysine 0.8901 0.9175 0.6270 0.9404 0.7097 0.7022 2.3416 2.3393 2.3710 2.2856 2.1735 2.6676 0.7469 0.7893 0.4892 0.5211 0.5071 0.6212 1.1146 0.9987 0.9594 1.1173 1.1528 1.2097 1.1012 0.9433 0.9589 0.9376 0.9597 1.0013 1.3192 1.0596 1.0803 1.2200 1.0665 1.2274 N-acetylarginine N-Acetylarginine 1.5398 1.2478 0.6455 1.1949 1.0005 0.9995 2.2155 1.9604 2.1857 2.1410 2.1007 2.8259 0.8763 0.8237 0.4350 0.4002 0.4002 0.4002 0.8760 0.8492 0.8223 0.6933 0.9812 1.0053 1.3432 1.1455 1.1159 0.9947 1.1539 1.3954 1.3404 0.8407 0.9900 0.9772 0.8852 0.9725 N-acetylasparagine N-Acetylasparagine 0.5871 0.5871 0.5871 0.5871 0.5871 0.5871 1.8801 1.4352 1.5537 1.1385 0.9518 1.5897 1.2234 0.5871 0.7758 1 0.6913 0.5871 0.9474 0.9146 0.8627 0.9082 0.9414 0.9276 1.3266 1.0526 1.1735 1.2695 1.5198 1.5979 0.5871 0.6868 0.5871 0.5871 0.5871 0.7149 N-acetylaspartate (NAA) N-Acetylaspartic acid 1.1910 1.0417 0.6695 0.9194 0.6887 0.7907 1.2171 1.2508 1.2725 1.2688 1.1249 1.5552 1.3763 1.2186 0.8620 0.9153 0.8997 1.0731 0.6866 0.9807 1.0644 1.1549 0.8384 0.8102 1.1532 0.6865 1.1747 1.0815 0.8577 1.0193 1.1765 0.8678 0.8585 0.8485 0.8095 0.9583 N-acetylcysteine N-Acetylcysteine 0.5514 0.5606 0.6241 0.6813 0.4211 0.2215 1.9773 1.5896 0.2215 1.0513 0.8568 1 1.0944 1.7270 0.8762 1.2429 1.5812 1.0322 1.2726 0.7463 1.0885 1.0131 0.9741 1.4338 0.9120 0.9869 0.8281 0.7640 1.3801 1.3595 1.1199 1.2674 1.2651 0.7424 0.9494 0.7783 N-acetylglucosamine/N-acetylgalactosamine N-Acetylhexosamine 0.7188 0.9344 0.8147 0.8656 1.1640 1.0278 0.3425 0.1697 0.1345 0.0948 0.1505 0.1189 1.2275 1.2241 1.1685 1.4474 1.7210 1.8678 1.0158 0.5613 0.7624 0.8873 0.7738 0.7497 1.3478 1.1889 0.9842 1.1628 1.4608 1.5925 1.0249 0.9638 1.1645 1.1437 0.9751 1.0689 N-acetylglucosaminylasparagine Aspartylglycosamine 1.0859 1.2002 0.9363 1.0913 1.1167 1.0135 1.1825 0.8768 1.1530 1.0650 0.8863 1.1802 1.1236 1.0481 0.7720 0.7827 0.8329 0.9622 1.2865 1.1807 1.0848 1.0103 1.2618 1.0673 0.8905 0.6507 0.7975 0.7448 0.8932 0.9897 0.9865 0.8452 0.8877 0.8556 0.8873 1.0168 N-acetylglutamate N-Acetylglutamic acid 1.0748 0.8429 0.7256 0.9252 0.6337 0.6056 1.2032 1.6095 0.7604 1.6418 1.5657 1.9267 1.3257 1.7100 1.1538 1.2984 1.2709 1.1127 1.0096 0.7045 0.9552 0.7037 0.7037 0.9904 0.8418 2.5242 1.2298 0.7037 2.8982 2.9852 0.5927 0.7979 0.7730 0.5556 0.5309 0.5280 N-acetylglutamine N-Acetylglutamine 0.9829 0.9054 0.5405 0.8026 0.7794 0.6940 1.3657 1.1370 1.2024 1.0987 1.1334 1.3970 1.5887 1.0509 1.0171 0.9460 1.3350 1.4633 0.6978 0.6024 0.6733 0.6654 0.6658 0.6824 1.6735 1.3022 1.4869 2.2458 1.5589 1.8458 0.6470 0.8202 0.7610 0.7918 0.7397 1.0899 N-acetylglycine N-Acetylglycine 0.8092 0.8884 0.8256 1.0334 0.3892 0.4264 1.1994 1.6172 1.5333 1.6888 1.2588 1.8789 1.3819 0.8266 1.3706 1.2755 0.9666 1.4446 0.5805 1.3878 0.7905 0.9329 0.4211 0.6579 N-acetylhistidine N-Acetylhistidine 1.0997 1.0560 0.7363 1.0772 0.7869 0.7018 2.4278 2.7864 2.5903 2.8250 2.5669 3.6279 1.4612 1.1863 0.7968 0.9056 0.8694 0.8827 1.1632 0.8664 0.8379 0.9440 0.7840 0.8469 N-acetylisoleucine N-Acetylisoleucine 1.0228 1.2848 0.3374 0.8760 0.3374 0.8428 1.5319 1.5373 2.7971 1.7645 1.8934 2.5719 1.2830 0.6867 0.3374 0.7644 0.5492 1.3274 0.9406 0.4966 0.3374 0.6778 0.6891 1 N-acetyl-isoputreanine N-Acetylisoputreanine 0.3727 0.3727 0.3727 0.3727 0.3727 0.3727 1 0.8723 1.3468 1.1371 0.8379 1.5347 0.3727 0.3727 0.3727 0.3727 0.3727 0.3727 0.2807 0.5214 0.4756 0.3677 0.4711 0.2807 1.2269 1.1549 1.0532 1 1.0845 1.0175 0.3727 0.3727 0.3727 0.3727 0.3727 0.3727 N-acetylmethionine sulfoxide N-Acetylmethionine sulfoxide 1.2901 1.8218 0.9374 1.3239 1.5748 1.6552 0.9426 1.0003 0.9997 0.7994 0.7874 1.0889 1.0569 1.0414 0.8750 0.9669 0.7777 0.9993 0.8462 0.6251 0.9371 0.6515 0.7162 0.9119 1.1118 1.0629 1.1662 1.1942 2.5543 3.0195 0.9511 1.1514 1.2349 0.9562 0.9161 1.2259 N-acetylproline N-Acetyl-proline 0.2648 0.2648 1.0843 1.2519 0.7186 0.7772 1.1229 1.4150 0.2648 0.2648 0.9157 0.9046 0.2648 1.8326 0.2648 0.2648 0.2648 0.8525 1.0879 0.2648 0.2648 0.2648 0.2648 0.2648 N-acetylputrescine N-Acetylputrescine 1.2713 1.2558 2.0709 1.0930 1.7548 0.8032 15.3889 13.5881 14.1375 15.3281 13.1441 18.0633 0.7664 0.6769 0.4899 0.3517 0.5150 0.6040 0.5817 0.4773 0.5491 0.4664 0.4081 0.4225 1.7087 1.7932 1.7923 1.4183 1.7211 2.1600 1.0863 0.8022 0.9137 0.8092 0.7908 0.6368 N-glycolylneuraminate N-Glycoloylneuraminic acid 1.3653 0.9725 1.4430 1.0134 1.1634 1.4683 1.1485 0.9866 0.9649 0.8907 0.8652 0.9652 nicotinamide Niacinamide 1.2415 1.1734 0.9444 1.1671 0.7646 0.8365 1.2329 1.0591 1.0994 1.2838 1.0968 1.2362 1.2988 1.2106 0.8635 1.0556 0.9025 0.8999 1.1310 0.9199 1.0327 0.9373 0.9221 1.1018 1.0738 0.9673 0.9407 0.8974 1.0890 1.1509 0.7410 0.7549 0.7328 0.6256 0.6225 0.7711 nicotinamide ribonucleotide (NMN) Nicotinamide ribotide 0.9865 1.2520 1.2693 1.0135 2.1685 1.3281 1.0218 0.6138 0.6542 0.4663 0.4573 0.7230 1.0759 1.0554 0.8522 1.1145 1.3162 1.2037 1.4287 1.2487 1.1316 1.0878 1.0696 1.4241 0.8766 0.7750 0.8020 0.7665 0.8876 0.9304 0.8316 0.8341 0.9298 0.7952 0.7669 1.0756 nicotinamide riboside Nicotinamide riboside 1.0605 0.9998 0.5677 0.8694 0.6227 0.5852 1.5038 1.3531 1.4143 1.3467 1.2731 1.7669 1.6051 1.3701 0.9245 1.0029 1.0002 1.1560 1.4041 1.1965 1.2434 0.9434 1.4310 1.2678 1.0147 0.7265 0.8364 0.8471 0.8956 0.9853 0.8716 0.6390 0.6738 0.6793 0.6710 0.6110 N-methyl-GABA 4-(Methylamino)butyric acid 0.8747 0.6755 0.9514 0.6760 1.0187 1.1155 1.1382 1.3765 1.0906 0.8081 0.9813 1.4024 N-methylpipecolate N-methyl pipecolic acid 0.6633 0.6633 0.6633 0.6633 0.6633 0.6633 1.1588 1.1592 1.0099 0.9901 0.8817 1.5818 1.3546 0.8872 0.6633 0.6633 0.6633 0.6633 0.9635 0.6633 0.6633 0.6633 0.6633 0.6633 N-methylproline N-Methyl-proline 0.6481 0.9300 0.5607 1 0.7889 1.3123 3.9921 3.3334 3.5630 3.7736 3.7971 4.7170 1.3927 0.8293 0.8951 0.8758 0.9351 0.8137 1.5649 1.1024 1.2022 0.9831 1.1005 0.9892 1.0108 0.9791 0.9311 0.8973 1.0374 0.9375 1.4510 0.7551 0.5607 1.4577 0.7696 1.4346 N-monomethylarginine Targinine 1.1780 1.7088 1.1439 1.1282 1.3694 1.3087 1.4466 0.9409 1.0333 0.7106 0.7544 1.0424 0.7596 0.7727 0.6444 0.7864 0.7354 0.8217 1.1301 1.1799 1.0563 1.0823 1.2645 1.3172 0.9437 0.7735 0.7361 0.7157 0.6599 0.9275 0.9075 0.8836 0.9667 1.0482 1.1113 1.4444 N_N-dimethyl-5-aminovalerate N,N-Dimethyl-5-aminovaleric acid 1.4805 1.0589 0.8190 1.4199 2.2332 1 0.7191 0.9965 0.4965 0.6251 0.9520 1.5036 3.2082 1.1774 0.5742 1.2032 1.4693 2.3204 0.7363 0.7686 1.0915 0.4858 0.1461 0.1461 N_N-dimethyl-pro-pro 1.4520 1.2819 0.8887 1.5574 1.2780 1.1682 2.1584 1.6895 2.1109 1.8993 1.8178 2.5017 0.8479 0.9866 0.4441 0.6165 0.4917 0.5717 1.0134 0.9305 0.7833 0.9682 0.8268 0.9356 N_N_N-trimethyl-5-aminovalerate N,N,N-trimethyl-5-aminovalerate 0.9986 0.9703 0.6480 0.8793 0.7026 0.6599 1.9575 1.7240 2.2566 2.1606 1.9059 2.7560 1.6717 1.6041 1.0110 1.0014 0.8739 1.1278 0.9559 0.9418 0.9316 0.8501 0.9188 0.9067 1.3261 1.0912 1.1120 1.0441 1.1936 1.3270 1.1326 0.8834 0.8173 0.9164 0.8915 0.9351 N_N_N-trimethyl-alanylproline betaine (TMAP) N,N,N-Trimethyl-alanylproline betaine 1.8391 1.5376 0.6662 1.2862 1.4073 0.9832 3.4950 2.8884 3.7356 3.5517 2.5811 4.5501 1.3049 0.6026 0.6909 0.6005 0.6319 0.9799 1.2075 1.3024 1.0421 1.1225 1.3870 0.5421 0.8684 0.5421 0.8662 1 0.9210 0.7897 1.0168 0.7342 0.6500 0.6766 0.7897 0.9390 O-methyltyrosine O-Methyltyrosine 1.2614 1.1124 1.3452 1.0143 1.2575 1.3507 0.9857 0.7465 0.9844 0.8448 0.7223 0.7801 ophthalmate Ophthalmic acid 0.0691 0.0691 0.0691 0.0691 0.0691 0.0691 0.7639 1.7066 2.3201 2.2228 1.8396 2.9241 1.0223 0.9777 0.4147 0.1361 0.0691 0.2029 0.3605 0.6438 0.6977 0.5754 0.5603 0.5742 1.5239 1.3063 1.3023 1.3151 1.5142 1.7391 0.0691 0.0691 0.0691 0.0691 0.0691 0.0691 ornithine Ornithine 0.7840 1.0039 0.8078 0.5605 0.7587 0.8025 1.3604 0.9758 1.1505 0.9506 0.9056 1.2150 1.2473 1.3220 0.9104 1.0371 1.2406 1.3126 0.6965 0.6379 0.7030 0.7491 0.7043 0.7314 1.4068 1.2646 1.3819 1.2509 1.5388 1.9155 0.9866 0.9061 1.1178 0.9961 1.0565 1.1411 oxindolylalanine Oxyindolylalanine 0.4058 0.8393 0.6039 0.4676 0.4658 0.4987 1.9066 1.7605 1.3310 1.1607 1.3287 1.6305 0.4058 0.4058 0.4058 0.4058 0.4058 0.4058 1.1867 0.9751 1.0163 0.8595 1.0475 1.1160 1.1243 1.0876 0.7986 0.7242 0.8336 0.9837 0.4058 0.4058 0.4058 0.4058 0.4058 0.4058 pantothenate (Vitamin B5) Pantothenic acid 0.9575 0.8305 0.7148 0.9094 0.6906 0.6423 2.1324 1.8748 1.5191 2.0467 1.8833 2.5283 1.4068 1.6259 0.9286 1.0620 1.0353 1.1313 1.1518 1.0928 1.0628 0.9800 1.1249 1.1978 0.9750 0.9114 0.9295 0.8095 0.9050 1.0200 0.9725 1.0214 0.9786 0.9055 0.7216 0.9229 phenylacetylglycine Phenylacetylglycine 0.5418 0.5071 0.3397 0.2945 0.3995 0.3484 0.7043 0.8840 1.0351 0.9398 0.8958 1.2847 1.2430 1.0611 0.9178 0.9739 1.0261 1.3917 0.9964 0.7333 0.8710 1.0036 0.8965 0.9134 0.9387 1.0755 1.0551 1.0561 1.1301 1.1675 1.6043 1.8452 1.4872 1.3874 1.3453 1.6614 phenylalanine Phenylalanine 0.8818 1.1176 0.7448 0.8714 0.9259 0.8651 1.4574 1.3462 1.1526 1.2042 1.2172 1.5317 1.3865 1.3564 1.0020 0.9964 0.9996 1.1370 1.0778 0.9712 0.9590 0.8972 1.0476 1.1601 1.0372 0.8608 0.8429 0.7905 1.0288 1.1501 0.9125 0.8224 0.8689 0.8782 0.8493 1.0004 phenylalanylalanine Phe-Ala 1.0983 1.5860 0.7939 0.8370 1.5529 0.6308 0.6308 1.0253 0.6308 0.6308 0.6308 0.8333 0.6308 0.7840 0.6308 0.6308 0.6308 0.6308 1.4396 0.9103 1.5043 0.5517 1.0897 1.4456 0.3650 0.2763 0.3700 0.4911 3.6991 3.2104 0.6308 1.0021 1.3094 0.6308 0.6308 0.9979 phenylalanylglycine Phe-Gly 1.3184 2.2362 1.1138 1.4819 2.0674 1.9570 0.4117 0.7103 0.4290 0.2284 0.2856 0.3847 0.8998 0.7851 0.6763 0.8352 0.8260 1.1793 1.7512 0.8276 1.2148 0.5277 1.1724 1.5692 0.3933 0.2783 0.4593 0.4929 3.6682 3.6031 1.1002 1.4345 1.3470 1.1560 0.8921 1.3045 phosphate Phosphoric acid 0.9458 1.0223 0.9848 0.9881 1.1462 0.9839 0.9106 0.8732 0.8187 0.8054 0.7847 0.9675 1.3202 1.2635 1.0824 1.2041 1.1743 1.4099 0.9947 0.8378 0.8690 0.8138 0.8554 1.0053 1.0761 1.0186 1.0344 0.9650 1.2423 1.3819 0.9743 1.0279 1.0643 1.0255 0.9053 1.0119 phosphocholine Choline phosphate 0.8823 0.7705 0.6193 0.8266 0.6403 0.5066 1.5538 1.3107 1.4633 1.4192 1.2095 1.5856 1.8244 1.6521 1.3074 1.2784 1.1177 1.3614 1.0381 0.9680 0.9663 0.8434 0.8799 0.9968 1.1272 1.0032 1.0268 0.9574 1.0096 1.2156 0.7467 0.4626 0.5362 0.5375 0.6036 0.5237 phosphoethanolamine (PE) Phosphoethanolamine 1.1465 1.0164 0.8620 1.4284 1.0262 0.7616 2.1036 1.9768 1.8485 1.9643 1.7437 2.0176 1.1297 0.9836 0.8060 0.8941 0.9696 0.9785 0.7777 1.0879 1.1512 1.5464 1.1969 1.2108 0.9717 1.0283 0.9337 0.8894 0.7679 0.8898 1.0826 0.7491 0.8364 0.8880 0.9728 0.7965 pipecolate Pipecolic acid 4.2705 5.1746 2.1488 2.2165 3.0782 2.5387 0.7916 0.7777 0.7947 0.8749 0.9127 1.2342 1.0019 0.9745 0.6371 0.6617 0.5002 0.6448 1.2541 1.5249 1.3632 1.1467 1.5748 1.5564 0.8249 0.4237 0.7046 0.8533 0.6272 0.6501 1.3863 0.9981 0.7992 1.1328 1.0088 1.0999 proline Proline 0.9142 0.9346 0.7231 0.7477 0.7248 0.6966 1.4276 1.3357 1.3805 1.3243 1.2929 1.6292 1.6491 1.5032 1.0773 1.1387 1.0563 1.2968 1.0576 1.0823 1.0057 0.9597 1.0702 1.0960 1.0726 0.8966 0.8184 0.8028 0.8077 0.9943 0.9437 0.7776 0.7842 0.8250 0.8063 0.9087 prolylglycine Pro-Gly 1.2436 1.7750 0.6934 0.9132 1.2908 1.3487 1.2310 1.3971 1.2175 0.8476 0.8589 1.2571 1.3160 0.9808 0.8703 0.8307 0.8904 1.0265 0.8279 0.8570 0.9629 0.7973 1.1678 1.0093 1.1563 0.7929 1.0827 0.9907 1.0711 1.4090 1.1921 0.9104 0.9155 0.8542 0.8509 1.0192 prolylhydroxyproline Pro-hydroxyPro 0.3580 0.2552 0.2648 0.2309 0.1285 0.1855 1.3101 1.5266 1.7492 1.4884 1.4284 2.2048 2.9348 1.9714 1.6916 1.2936 1.2587 1.5146 1.2282 1.1610 1.2145 1.3895 1.3744 1 0.2929 0.7263 0.2929 0.4177 0.6949 0.5350 0.7413 0.6848 0.5598 0.6750 0.5673 0.6305 propionylcarnitine (C3) CAR 3:0 0.6617 0.6887 0.3617 0.3767 0.4285 0.4161 1.1867 2.0906 2.8975 2.7858 2.5076 3.4320 3.0294 2.1844 1.7634 1.4890 1.3872 2.0840 0.7353 0.6780 1.0460 0.5477 0.5963 0.4485 1.1854 0.9540 1.0486 1.1366 2.0550 1.4035 0.8133 0.7591 0.6227 0.7113 0.4815 0.5463 pterin Pterin 1.1740 1.3612 0.7228 0.9354 0.9194 0.8631 1.3540 1.3242 1.2891 0.8621 0.9537 1.3483 1.0037 0.9965 1.0326 1.0035 1.0925 1.2428 1.0107 0.9664 1.1920 0.9893 1.1120 1.0484 0.7074 0.7665 0.7248 0.8259 1.0199 1.0659 0.9301 0.9808 0.8149 0.9391 0.8294 1.4536 putrescine Putrescine 1.1410 1.2096 0.7030 1.0562 1.1845 0.9599 15.0905 14.4339 15.1758 13.1340 12.8246 20.4493 0.6204 0.4223 0.4027 0.3171 0.4243 0.6268 0.6989 0.5594 0.6848 0.5272 0.5428 0.5186 1.5207 1.5834 1.5113 1.3011 1.8438 2.5065 0.9948 1.0052 0.7469 1.0530 0.8713 0.8360 pyridoxal Pyridoxal 1.2664 1.2397 0.6731 0.8717 0.8819 0.8589 1.1628 1.1522 1.2721 1.0987 0.9933 1.3902 1.3086 1.0770 0.8565 0.8830 0.8542 1.0067 1.1621 0.9755 1.0245 0.8369 1.0400 1.1415 0.9360 0.8172 0.8390 0.8009 1.1142 1.1158 1.2779 0.9369 0.9808 0.9007 0.8778 1.0696 pyridoxamine Pyridoxamine 1.1844 1.1737 0.7888 0.8719 0.9024 0.8532 0.7416 0.9394 0.7960 0.6471 0.6879 0.9285 1.2466 1.1209 0.9809 1.0191 1.0777 1.2854 1.1040 0.9598 0.8094 0.8414 0.8459 1.0681 1.0473 1.0402 0.8523 0.8639 1.1357 1.2108 1.2903 1.3025 1.4189 1.2531 0.9672 1.3206 pyridoxamine phosphate Pyridoxamine 5'-phosphate 0.4614 1.2695 0.8822 1.1793 1.4189 0.8104 1.4033 0.6185 1.1178 1.1681 0.5995 0.6654 quinolinate Quinolinic acid 0.8942 0.8340 1 1.0301 0.7595 0.7595 0.7968 0.9945 1.3660 1.3012 1.3276 1.9082 (R)-3-hydroxybutyrylcarnitine CAR 4:0;3OH 0.9690 0.7130 0.2717 0.5310 0.5475 0.5428 4.7647 3.3147 4.4898 3.8718 3.4570 5.4652 1.9609 1.4885 1.0310 0.4041 0.8718 1.0811 1.1077 0.2717 0.2845 0.7082 0.8301 0.2717 riboflavin (Vitamin B2) Riboflavin 1.1725 0.9835 0.9272 0.9468 1.1795 1.0791 3.7655 3.4090 5.4919 3.3118 3.3640 4.6664 1.0165 0.6664 0.4852 0.4373 0.4693 0.7279 1.1703 1.0603 0.9397 1.2669 1.1106 1.3434 1.3860 0.7775 0.7034 0.7346 0.8931 0.8369 1.3840 0.8574 0.7517 1.0610 0.7863 0.9425 S-1-pyrroline-5-carboxylate 1-Pyrroline-5-carboxylic acid 0.7590 0.7226 0.6393 0.7473 1.0557 0.9443 1.2246 1.5016 1.4998 1.1747 1.2120 1.1100 2.2299 1.4762 1.4221 0.2516 1.3117 1.5886 0.5345 1.6306 1 0.6155 0.5345 1.1759 1.6095 0.7875 0.8684 2.3476 0.8228 1.6912 0.9369 0.9210 0.7863 0.8466 0.5333 0.7902 (S)-3-hydroxybutyrylcarnitine CAR 4:0;3OH 0.9359 0.7843 0.5031 0.7692 0.4745 0.4973 1.8044 2.3015 2.1641 1.6268 1.7322 2.6260 2.2681 2.0656 1.2081 1.2783 1.0641 1.4545 0.6843 0.8194 0.8280 0.7038 0.7858 0.6123 1.6519 1.3614 1.2866 1.2703 1.1720 1.4057 0.8627 0.5166 0.4895 0.5291 0.6530 0.4864 saccharopine Saccharopine 0.2944 0.3233 0.2306 0.3371 0.2571 0.2343 1.8787 1.6942 1.6629 1.6918 1.9406 2.2542 2.9962 3.1892 2.2029 2.3343 2.2288 2.4560 0.3240 0.3174 0.2980 0.3066 0.3331 0.3262 S-adenosylmethionine (SAM) S-Adenosylmethionine 0.8557 0.8381 0.5161 0.6942 0.5294 0.5406 2.3388 2.1973 2.5086 2.3409 2.0886 3.1414 1.7950 1.6658 1.1118 1.0014 0.9986 1.2857 1.1038 0.9992 1.0008 0.8835 1.0434 0.9024 1.1111 0.7853 0.9741 0.9842 1.0984 1.1947 1.0369 0.6710 0.6866 0.7481 0.7756 0.7567 sarcosine Sarcosine 0.3732 0.4181 0.3133 0.2165 0.2922 0.2866 4.4271 4.4573 4.8828 4.5541 4.9213 6.2703 2.1255 1.9708 1.3716 1.1135 0.9619 1.4943 0.9789 0.8250 0.6536 1.0211 0.7889 0.8866 S-carboxymethyl-L-cysteine S-Carboxymethyl-cysteine 0.8266 1.1052 0.5794 0.6594 0.5849 0.6776 2.2076 1.7480 2.1478 1.4037 1.7451 2.4446 1.6338 1.5180 0.9772 0.9739 1.0132 1.5195 0.9715 0.9868 0.8039 0.8924 0.7508 1.3325 serine Serine 1.1869 1.3279 0.8643 0.9912 1.0363 0.9159 1.3111 1.1701 1.2640 1.0088 1.0549 1.3594 1.0367 0.9804 0.7233 0.7492 0.7507 0.8600 1.0033 1.0068 0.9801 1.0131 1.0947 1.2221 1.0782 0.8996 0.8741 0.8320 0.7959 0.9967 1.0362 0.8875 0.9270 0.9858 0.9537 1.1569 serotonin Serotonin 0.9397 0.9056 0.5766 0.7652 0.6310 0.6109 1.8957 2.0382 1.8115 1.9479 1.7537 2.6761 1.2956 1.6625 0.8845 0.9678 0.9012 0.8806 1.0980 1.2778 0.9731 1.0269 0.8034 1.0569 S-methylcysteine sulfoxide 2-amino-3-methanesulfinylpropanoic acid 0.2089 0.2089 0.2089 0.2089 0.2089 0.2089 1.8497 1.5548 1.8515 1.1137 0.8657 1.8989 1 0.4881 0.2089 0.2089 0.2428 0.5673 0.2089 0.2089 0.2089 0.2089 0.2089 0.2089 S-methylmethionine S-Methylmethionine 0.1804 0.1804 1.0614 0.1804 0.1804 0.1804 0.9858 1.3261 0.7674 1.0264 1 1.2775 0.1804 0.1804 0.1804 0.1804 0.1804 0.1804 0.2217 0.1804 0.1804 0.1804 0.1804 0.1804 spermidine Spermidine 0.7641 0.9201 0.6128 0.7432 0.6133 0.6195 3.7718 3.5720 4.2099 3.4770 3.6514 5.5635 1.3174 1.2489 0.8066 0.7744 0.8133 1.0453 1.2078 1.0270 1.0423 0.9411 1.1575 0.9730 0.9544 0.8720 0.9198 0.8346 1.0823 1.1903 1.0578 1.0141 0.9453 1.0860 0.8956 0.9859 spermine Spermine 1.1610 1.0404 1 1.2454 1.2775 0.7986 0.5082 0.5082 0.6998 0.5082 0.5082 0.5919 stachydrine Stachydrine 1.0397 1.0653 1.0121 0.8920 1.0039 0.9961 0.8482 0.7990 0.8269 1.0096 0.7016 1.0842 succinylcarnitine (C4-DC) CAR DC4:0 0.6208 0.5911 0.9595 0.6436 0.7295 0.5911 1.6433 1 1.7467 1.5921 1.5944 2.2890 taurine Taurine 0.8105 0.7504 0.5921 0.8112 0.6704 0.5988 2.7119 2.4748 2.7307 2.7460 2.4677 3.2970 1.5127 1.3673 0.9321 0.9104 0.8554 1.1299 1.0510 0.9618 0.9591 0.9257 0.9459 1.0619 1.0875 1.0182 0.9818 0.8778 1.1257 1.3826 0.9944 1.0062 0.7999 1.0984 0.8447 1.0056 thiamin monophosphate Thiamine monophosphate 0.7574 0.8138 0.7327 0.7791 1.1091 0.9440 0.4167 0.5341 0.2287 0.1479 0.2529 0.3515 1.4245 1.4285 1.0531 1.0160 1.2066 1.4763 0.9388 0.7891 0.8324 1.0437 0.8126 0.9563 1.1091 0.9512 1.2109 1.1593 1.3924 1.5384 1.0713 1.3326 1.3815 1.3346 0.9840 1.2797 thiamin (Vitamin B1) Thiamine 0.9781 1.1335 0.7476 0.8463 0.6939 0.6973 3.9721 3.0302 3.7555 3.2622 3.0397 4.3418 1.3593 1.4250 0.8920 0.9854 0.8960 1.0259 1.4468 1.3240 1.4400 1.0496 1.4694 1.7594 0.8385 0.8141 0.6726 0.6383 0.9383 0.9504 1.0435 0.7797 0.7574 0.8062 0.9327 1.0146 thioproline Thioproline 0.8951 0.7687 0.5963 0.7649 0.6164 0.6113 1.4349 1.3207 1.3071 1.3561 1.2444 1.4587 1.2999 1.1732 0.9862 1.0138 1.0702 1.1349 1.3490 0.9230 1.0377 0.7537 0.9449 1.1766 0.9592 0.9100 1.1464 0.9623 1.5446 1.6168 1.0163 0.8735 0.8655 0.8040 0.7864 0.9085 threonine Threonine 0.5960 0.6990 0.5762 0.5665 0.5442 0.4998 2.7033 2.7322 2.2332 2.5404 2.6775 3.3717 1.5976 1.7508 1.0675 1.0996 1.0625 1.2110 1.1314 0.9366 1.0295 0.9286 1.0240 1.2734 1.0988 0.9760 0.8754 0.8206 0.9336 1.1001 0.8757 0.8909 0.8308 0.8350 0.7697 0.9375 tiglyl carnitine (C5) CAR 4:1;2Me 1.0616 0.9384 0.6773 0.7281 0.6088 0.5640 2.8256 2.8470 3.8215 3.1859 2.8367 4.0112 2.0102 1.3008 1.1652 0.8919 0.9078 1.3608 0.8190 0.9485 0.9006 0.7621 0.8551 0.7112 1.5377 1.0848 1.2378 1.3051 1.0515 1.1299 1.3398 0.5977 0.6399 0.9052 0.8908 0.9098 trigonelline (N^-methylnicotinate) Trigonelline 0.9119 0.7648 0.7811 1.2344 0.6131 0.7661 1.3100 1.7797 1.3373 1.4172 1.1732 1.5055 0.2962 0.7442 0.4906 2.0911 1.0075 1.2319 0.9998 0.8708 1.0674 0.8208 1.0002 1.0621 1.3175 0.6977 0.5882 0.9822 1.4440 1.3851 0.7090 0.7292 1.0448 1.2469 0.9925 0.9721 trimethylamine N-oxide Trimethylamine N-oxide 1.0338 1.0822 1.0571 1.0367 1.0766 0.9578 0.8866 0.7935 0.8277 1.0203 0.9433 0.9797 tryptamine Tryptamine 0.6446 2.1133 0.6395 0.7687 0.6395 0.6395 0.9376 1.1603 1 0.7579 1.3201 2.3649 0.6395 0.6395 0.6395 0.6395 0.6395 0.6395 0.6395 1.1238 1.2283 0.6395 0.7701 0.6395 tryptophan Tryptophan 2.7446 3.6112 1.9521 2.7688 2.4691 2.2762 5.6455 5.8453 4.2489 4.5272 4.7107 5.7363 0.0176 0.0182 0.0158 0.0162 0.0166 0.0271 1.3254 1.0048 1.0233 0.9633 1.1111 1.2609 0.9952 0.8554 0.8635 0.7695 0.9395 1.1143 0.0471 0.0477 0.0466 0.0464 0.0364 0.0479 tryptophan betaine Lenticin 1.1088 1.1909 0.9418 1.0582 1.0699 1.1686 0.8673 0.4227 0.4916 1.2460 0.6415 0.8619 tryptophylglycine Trp-Gly 0.4972 0.4972 0.5580 1.0881 0.4972 0.4972 0.4972 0.4972 0.4972 0.4972 0.4972 0.4972 0.4972 0.9950 0.4972 0.4972 0.4972 0.4972 2.0928 0.8384 1.4003 0.5066 1.1616 1.7692 0.4212 0.2801 0.5866 0.7775 5.7361 4.6387 1.0803 1.3947 1.3092 1.0050 0.8110 0.9605 tyrosine Tyrosine 0.9486 1.2675 0.8211 0.9060 1.0014 0.8774 1.7744 1.5291 1.4332 1.2590 1.4159 1.7117 1.5513 1.2558 1.0030 0.8813 0.9372 1.1530 1.1419 0.9553 0.9626 1.0374 1.1903 1.3290 1.2011 0.7850 0.7978 0.8511 0.8986 1.1276 0.9489 0.8015 0.8534 0.8481 0.9563 0.9986 UMP UMP 1.0682 0.9098 0.9855 1.0145 0.9238 0.8632 1.3607 1.1651 1.4387 1.5556 1.5012 1.8213 1.4361 1.3385 0.9490 1.0538 0.9177 1.0246 0.8808 0.8378 1.0151 0.9640 0.8592 0.9759 1.1655 1.1333 1.1197 0.9849 1.1793 1.3534 0.6495 0.7232 0.7169 0.6818 0.5687 0.7565 uracil Uracil 0.8404 0.8901 0.5728 0.7323 0.4726 0.4711 2.3676 1.9109 2.4210 1.9631 1.7976 2.5311 1.3860 1.4820 0.9158 1.0790 1.0964 1.2327 1.3604 1.2505 1.0901 0.9133 1.1532 1.3154 1.0754 0.9246 0.7431 0.6220 0.5702 0.6892 1.1235 0.6823 0.7306 0.8525 0.9210 0.7968 urate Uric acid 0.7368 0.5523 0.6712 0.9746 0.7544 0.6316 1.2934 1.0254 1.2474 1.5661 1.2417 1.4674 urea Urea 0.9995 0.9777 0.7414 0.6349 0.6821 0.8303 0.9332 0.8432 0.7625 0.6581 0.8059 1.2138 1.1170 1.0083 0.7813 1.0128 1.0005 1.1623 1.1290 1.2690 1.1816 1.0310 1.0114 1.2724 valine Valine 0.8990 1.2076 0.8296 0.9861 0.9322 0.9264 1.6206 1.4100 1.3031 1.2167 1.2566 1.7189 1.1856 1.2959 0.8410 0.9601 0.9120 1.0309 1.2196 1.0575 0.9872 0.9191 0.9650 1.2855 1.0590 1.0128 0.8691 0.8095 0.9696 1.1851 0.9933 0.9553 1.0067 0.9351 0.8932 1.0753 valylleucine Val-Leu 0.5286 1.1658 0.5286 0.5286 0.5286 0.9775 0.8502 0.5286 0.8212 0.5286 0.5286 1.4112 1.1225 1.2138 0.5286 0.5286 0.5286 0.5286 1.1105 0.5493 0.5493 0.5493 0.5493 0.8895 0.5493 0.5493 0.5493 0.7503 1.7931 1.9272 1.0225 0.5286 0.5286 0.5866 0.5286 0.5286 xanthine Xanthine 1.0771 0.9171 0.3436 0.8047 0.3197 0.2142 4.5083 3.8291 3.2950 3.2605 2.4771 2.4205 1.9390 3.0165 1.7558 1.1963 0.9431 0.7537 0.8852 0.6305 0.7232 0.9372 0.9020 0.9057 1.5174 1.0794 1.3532 1.0628 1.4651 1.6063 1.0569 0.7007 0.7062 0.8700 0.8495 0.5749