Data for Integrated nutrigenomic and metabolomic analysis of Africans with variable diet (Study ST000818)
(Analysis AN001297)Values for each metabolite have been scaled by dividing by the mean across all factors Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this studyMetabolite | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 | F22 | F23 | F24 | F25 | F26 | F27 | F28 | F29 | F30 | F31 | F32 | F33 | F34 | F35 | F36 | F37 | F38 | F39 | F40 | F41 | F42 | F43 | F44 | F45 | F46 | F47 | F48 | F49 | F50 | F51 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
16:0-18:0 PC (M+H)+ | 0.9221 | 0.9667 | 1.0609 | 0.6749 | 1.0123 | 0.8677 | 0.7736 | 0.8399 | 0.9452 | 0.9071 | 1.0871 | 0.8975 | 1.0800 | 1.4107 | 1.0099 | 1.2038 | 0.9928 | 0.4457 | 1.5754 | 1.4031 | 0.4095 | 1.0132 | 1.0385 | 0.8682 | 0.2764 | 1.6587 | 1.2474 | 0.6794 | 1.2306 | 1.4833 | 1.0146 | 1.3774 | 0.1617 | 1.0983 | 1.5592 | 0.8356 | 0.6170 | 0.9595 | 1.0723 | 0.9789 | 1.4348 | 0.9499 | 0.9999 | 0.9259 | 0.9444 | 1.0221 | 1.1465 | 0.8561 | 0.9058 | 0.9564 | 1.1187 |
16:0 LYSO PC (M+H)+ | 1.1863 | 0.8500 | 1.0223 | 0.7626 | 0.9702 | 0.8538 | 0.7629 | 1.1014 | 0.5426 | 1.2423 | 1.0304 | 0.6117 | 0.9676 | 1.0741 | 1.3427 | 1.0871 | 0.5501 | 1.3588 | 1.6844 | 1.7191 | 0.4990 | 0.5948 | 0.4965 | 1.5144 | 1.2088 | 0.5881 | 1.3815 | 0.5698 | 1.2941 | 0.5373 | 0.6416 | 0.8395 | 0.7042 | 0.9472 | 1.1904 | 0.1180 | 0.3466 | 0.8975 | 1.0968 | 1.0256 | 1.1337 | 0.9318 | 0.8851 | 1.1809 | 0.9992 | 1.1194 | 0.8502 | 0.8552 | 1.0284 | 0.9989 | 0.9470 |
16:0 LYSO PC (M+Na)+ | 0.9505 | 0.8899 | 1.0186 | 0.7654 | 1.1411 | 0.6913 | 0.9953 | 0.9997 | 0.5388 | 0.9773 | 1.4243 | 0.6858 | 0.9426 | 1.2994 | 1.1203 | 0.7266 | 0.5121 | 1.2675 | 0.6605 | 1.6429 | 0.5599 | 0.7477 | 1.3805 | 0.6326 | 1.0932 | 1.7775 | 1.7375 | 1.1252 | 1.5207 | 1.3856 | 0.4395 | 1.6408 | 1.0458 | 0.8917 | 0.8207 | 1.4840 | 0.7842 | 1.1564 | 0.9865 | 1.1772 | 0.8350 | 0.9251 | 0.8375 | 0.7926 | 1.0568 | 1.0653 | 0.8544 | 0.8713 | 1.0881 | 1.0790 | 0.8616 |
18:0 LYSO-PE (M+H)+ | 1.1908 | 1.1499 | 1.3809 | 0.9070 | 1.2415 | 0.9377 | 1.0654 | 0.8986 | 1.4962 | 0.9517 | 0.9474 | NA | 0.6907 | 0.8811 | 0.7676 | 0.6016 | 1.0651 | 0.5295 | 0.4986 | 0.9683 | 0.5156 | 0.8886 | NA | 0.9448 | 0.6625 | 1.0931 | 1.1634 | 0.9318 | 0.9525 | 1.0623 | 1.1166 | 1.1022 | 0.1861 | 0.8244 | 0.5210 | NA | NA | 1.3095 | 0.8257 | 0.8995 | 0.7479 | 1.1981 | 0.9100 | 1.4545 | 1.3955 | 1.0491 | 1.0847 | 1.0034 | 0.9254 | 0.8816 | 0.8725 |
18:0 LYSO-PE (M+Na)+ | 1.3975 | 1.1197 | 1.4420 | 1.0036 | 1.0410 | 0.9275 | 1.0486 | 0.9792 | NA | 1.0310 | 0.9275 | 0.4316 | 0.5990 | 0.4223 | 0.9159 | 0.6772 | 0.7762 | 0.8656 | NA | NA | 0.3833 | 0.5390 | 0.4332 | 1.0939 | 0.8660 | NA | 0.9832 | NA | 1.1323 | NA | NA | NA | 0.2754 | 0.6840 | 0.5330 | 0.7582 | 0.5584 | 1.4617 | 0.8145 | 0.9490 | 0.6612 | 1.0690 | 0.7397 | 1.5269 | 1.2711 | 0.9359 | 0.8759 | 0.8560 | 1.0060 | 0.8511 | 1.0632 |
1-METHYLADENOSINE (M+H)+ | 0.7872 | 0.8345 | 0.8843 | 0.8533 | 0.9794 | 0.8903 | 0.8989 | 0.8522 | 1.2369 | 1.0429 | 1.0316 | 1.0245 | 1.0006 | 0.9262 | 0.8321 | 1.1602 | 0.7347 | 0.9460 | 0.7316 | 1.0871 | 1.1610 | 1.2232 | 1.2795 | 1.5604 | 1.0936 | 1.0785 | 1.3810 | 0.9964 | 1.0685 | 1.6482 | 1.6178 | 0.9885 | 0.9343 | 1.1197 | 0.7706 | 1.2668 | 0.9475 | 0.8984 | 1.2284 | 1.0432 | 1.3657 | 1.0497 | 1.0530 | 0.9833 | 1.0696 | 0.8897 | 1.0749 | 0.7958 | 0.9940 | 1.0211 | 1.0860 |
1-METHYLXANTHINE (M+H)+ | 1.0650 | 0.9097 | 0.8492 | 0.8664 | 1.0369 | 0.7806 | 0.8940 | 1.0269 | 1.1712 | 1.1426 | 1.1414 | 0.4385 | 1.0207 | 1.0721 | 0.8582 | 0.8656 | 1.0775 | 1.1678 | 0.9411 | 1.1703 | 0.6417 | 0.6544 | 0.7585 | 1.1436 | 1.0979 | 1.2541 | 1.1691 | 1.3882 | 1.3177 | 1.3528 | 0.6851 | 1.1244 | 1.0570 | 0.9085 | 1.0429 | 0.9450 | 0.7541 | 1.0220 | 1.3486 | 1.0592 | 0.7607 | 1.0142 | 0.8520 | 0.9486 | 0.9250 | 1.0198 | 0.8969 | 0.8899 | 1.1640 | 0.9383 | 1.1783 |
1-METHYLXANTHINE (M+Na)+ | 0.5952 | 0.9526 | 0.6007 | 0.9759 | 0.7389 | 1.0411 | 0.7571 | 0.8258 | 0.8037 | 0.9758 | 1.5573 | 1.1114 | 1.0807 | 1.3899 | 0.7066 | 1.1037 | 0.8377 | NA | NA | NA | NA | 0.7855 | 1.7060 | NA | 0.7640 | NA | 1.3583 | 0.8860 | NA | NA | NA | NA | NA | 0.8509 | 0.6652 | 2.4404 | 1.6427 | 1.1821 | 1.6511 | 0.7467 | 1.0434 | 0.8562 | 0.7442 | 0.6634 | 0.8318 | 0.9649 | 0.9292 | 0.9529 | 0.8359 | 0.7806 | 1.0616 |
20:0 LYSO PC (M+H)+ | 0.6320 | 1.0275 | 0.8580 | 0.7740 | 1.9992 | 0.5448 | 0.5419 | 0.7572 | 1.3267 | 0.4703 | 0.7806 | 0.5280 | 0.9194 | 1.0504 | 0.9695 | 0.3538 | 1.1018 | NA | NA | 0.7839 | 0.1290 | 1.1902 | 0.4176 | 0.3847 | 0.2252 | 1.2835 | 2.2992 | 1.2308 | 1.0515 | 2.2776 | 1.2352 | 1.7460 | NA | 0.9109 | 0.9498 | 0.5779 | 0.5199 | 0.5078 | 0.4516 | 1.2718 | 0.3473 | 1.7835 | 1.7701 | 0.8533 | 0.6229 | 1.4957 | 1.6488 | 1.2794 | 0.7766 | 0.9421 | 1.0294 |
20:0 LYSO PC (M+Na)+ | 0.4087 | 0.8821 | 0.7653 | 0.8100 | 2.3977 | 0.5575 | 0.4389 | 0.8713 | 1.3904 | 0.4632 | 0.8507 | 0.5182 | 0.9202 | 1.1014 | 0.6381 | 0.4373 | 1.6046 | NA | NA | NA | 0.0454 | 1.1234 | 0.4986 | 0.1633 | 0.0380 | 0.6412 | 2.3368 | 1.2154 | 0.9365 | 2.5571 | 1.4123 | 1.6495 | NA | 0.8200 | 0.7931 | 0.9998 | 0.6556 | 0.3963 | 0.3795 | 1.2194 | 0.2954 | 2.3524 | 2.0264 | 0.7551 | 0.7338 | 1.8435 | 1.7930 | 1.1470 | 0.5084 | 0.8115 | 0.6690 |
24:0 SM (D18:1/24:0) (M+H)+ | 0.8891 | 0.5990 | 1.0942 | 0.5675 | 1.5876 | 0.4541 | 0.5741 | 0.8319 | 1.0974 | 0.7590 | 0.6094 | 0.3047 | 1.3131 | 1.4028 | 1.2402 | 0.9018 | 0.9675 | NA | NA | 0.8172 | NA | 1.5461 | 0.1752 | 0.5288 | 0.2150 | 1.8870 | 1.2489 | 1.4287 | 1.0626 | 5.1610 | NA | 0.6194 | NA | 1.2347 | 2.6696 | 0.1477 | 0.1066 | 0.4299 | 0.7347 | 0.9876 | 1.9213 | 0.9075 | 1.3166 | 1.3533 | 0.8588 | 1.0366 | 1.3424 | 0.7844 | 0.6810 | 1.2131 | 1.0527 |
24:0 SM (D18:1/24:0) (M+Na)+ | 0.7455 | 0.7599 | 1.2741 | 0.8054 | 1.3384 | 0.7341 | 0.7273 | 0.6120 | 1.8516 | 0.7248 | 0.8169 | NA | 1.1338 | 0.9129 | 0.6297 | 1.2492 | 1.4087 | NA | NA | 0.8470 | NA | 0.6766 | NA | 0.5840 | 0.0535 | 2.0184 | 1.7558 | 1.9972 | 1.3630 | 1.1467 | NA | 0.8554 | NA | 0.8316 | 1.3123 | NA | NA | 0.4712 | 0.7536 | 1.1287 | 1.5212 | 1.0327 | 1.3320 | 0.9237 | 0.9197 | 1.1725 | 1.5575 | 0.8597 | 0.8914 | 1.0755 | 0.8038 |
2^,4^-DIHYDROXYACETOPHENONE (M+H)+ | NA | 0.2039 | 2.5225 | 0.2440 | 0.5075 | 1.0814 | 3.8633 | 1.0426 | NA | 0.5233 | 0.7269 | NA | 0.1029 | NA | NA | 0.8788 | NA | NA | 0.5210 | NA | NA | 0.2945 | 0.1005 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.2225 | 0.2334 | 0.5050 | 0.2279 | 1.5575 | 0.4096 | NA | NA | 0.1200 | NA | 1.1554 | 0.3589 | 1.6109 | 2.7768 | 0.1217 | NA | 1.3913 | 2.1738 |
25-HYDROXYCHOLESTEROL (M+H)+[-H2O] | 0.7461 | 1.0864 | 0.6460 | 1.9675 | 1.1019 | 0.5299 | 0.3028 | 1.7832 | 0.0569 | 1.1417 | 0.3377 | NA | 0.8986 | NA | 2.4192 | 2.3549 | 0.2846 | 2.2706 | 2.0140 | NA | 0.3375 | 0.4674 | NA | 0.3136 | 0.2086 | NA | 0.2541 | 0.3877 | NA | NA | 0.5042 | NA | 3.0557 | 0.3148 | 1.8102 | NA | NA | 0.3543 | 0.9431 | 0.9293 | 2.1165 | 0.9226 | 1.0163 | 0.7225 | 0.9671 | 1.1731 | 0.8536 | 1.1553 | 1.1567 | 1.1442 | 1.0262 |
2-DEOXY-D-GLUCOSE (M+Na)+ | 1.0375 | 0.8898 | 1.4778 | 1.1219 | 0.7959 | 0.5901 | 0.7419 | 1.1109 | 0.9538 | 0.9012 | 0.5740 | 0.3623 | 1.2418 | 1.3968 | 1.6907 | 0.4863 | 1.5371 | NA | 0.6121 | 3.1541 | 0.2668 | 0.6606 | 0.2223 | 1.9341 | 1.0034 | 1.7778 | 1.0404 | 2.0136 | 2.1501 | 1.7057 | 0.0767 | NA | 1.1641 | 0.6255 | 1.2525 | 0.5275 | 0.4112 | 0.7648 | 0.6882 | 0.9231 | 0.6834 | 1.3560 | 1.0243 | 0.9525 | 1.0352 | 1.0228 | 0.9305 | 1.0951 | 1.2736 | 0.9337 | 1.0387 |
3-(4-HYDROXYPHENYL)LACTIC ACID (M+Na)+ | 0.8022 | 1.7559 | 0.6710 | 0.8912 | 0.9439 | 0.9523 | 0.9054 | 0.8638 | NA | 1.0398 | 0.9914 | NA | 0.8948 | 0.5086 | 0.4625 | 0.2935 | NA | 0.3259 | 1.8109 | NA | NA | 0.5854 | NA | NA | NA | NA | NA | NA | NA | NA | 0.4654 | NA | 2.1995 | 0.2989 | 0.6880 | NA | NA | 1.0350 | 2.3578 | 0.2903 | 0.9679 | 0.3084 | 0.6208 | 0.9347 | 1.7035 | 1.6621 | 1.6076 | 0.6179 | 1.4482 | 0.4927 | 0.4618 |
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O] | 1.1000 | 1.0398 | 1.3412 | 1.1111 | 1.7458 | 1.3344 | 1.5991 | 1.4146 | 6.3955 | 2.0056 | 1.6763 | 0.1983 | 0.3911 | 0.5320 | 0.8342 | 0.6115 | 0.5224 | 0.5994 | 0.2965 | 0.5279 | 0.1650 | 0.3444 | 0.2455 | 1.0172 | 0.8584 | 0.9169 | 0.7783 | 0.1873 | 1.3779 | 0.3087 | 0.2660 | 0.8629 | 0.5310 | 0.5960 | 0.6653 | 0.1529 | 0.2220 | 0.6605 | 0.8213 | 0.6534 | 0.8356 | 0.7436 | 0.6247 | 1.0456 | 1.0313 | 1.1989 | 0.8672 | 0.8582 | 1.0195 | 0.6376 | 0.4510 |
3-HYDROXYLAUROYLCARNITINE (*) (M+H)+ | 0.4459 | 1.1940 | 0.6686 | 0.7890 | 0.9839 | 0.6037 | 0.7226 | 1.1127 | 0.9570 | 0.7630 | 1.2636 | 0.8762 | 1.2065 | 1.4559 | 0.5655 | 0.9362 | 1.9753 | 0.2451 | 1.3217 | 0.2308 | 0.5700 | 1.0071 | 0.8546 | 0.3845 | 0.5040 | 0.4513 | 1.5640 | 1.4916 | 0.9109 | 2.0218 | 1.5987 | 1.3560 | 0.1070 | 1.5616 | 0.6921 | 0.7194 | 0.8158 | 0.3879 | 0.5769 | 1.0051 | 1.1334 | 1.6640 | 1.8645 | 0.8222 | 1.2129 | 1.1895 | 1.3012 | 0.8000 | 0.7157 | 0.8212 | 0.7382 |
3-METHOXYTYROSINE (M+H)+ | 1.2007 | 1.1502 | 1.0608 | 1.0562 | 1.0822 | 0.6623 | 0.7838 | 0.8556 | 1.4263 | 1.2255 | 0.9723 | 0.3014 | 0.8305 | 0.9115 | 1.0931 | 0.9968 | 1.6431 | 1.0587 | 3.5733 | 1.2767 | 0.7131 | 0.5181 | 0.6666 | 1.6660 | 1.1838 | 2.1031 | 1.4262 | 0.9141 | 1.1328 | 1.4502 | 0.7101 | 0.8553 | 1.6330 | 0.8605 | 0.8198 | 0.9135 | 0.1384 | 0.8286 | 0.9885 | 0.9921 | 0.7779 | 1.1467 | 1.0325 | 0.9992 | 0.7911 | 1.1979 | 0.8455 | 0.9032 | 1.1857 | 1.0759 | 1.0967 |
4-QUINOLINECARBOXYLIC ACID #2 (M+H)+ | 0.7991 | 0.7617 | 1.7551 | 3.0467 | 0.9817 | 1.0786 | 0.8665 | 0.4201 | 0.2995 | 0.9982 | 1.1409 | NA | 0.4787 | 0.3271 | 0.3004 | 0.3888 | 0.3078 | NA | NA | 0.5738 | 0.1301 | 0.2780 | NA | 0.9841 | 0.3591 | NA | 0.6086 | 0.1555 | 0.5320 | 0.2742 | 0.6532 | NA | 0.6134 | 0.8345 | 0.6322 | 1.4578 | NA | 1.1124 | 1.0567 | 0.9480 | 0.6317 | 0.5962 | 0.6189 | 1.5554 | 1.8214 | 1.1242 | 1.5612 | 0.5157 | 0.3607 | 1.0616 | 0.9099 |
5-AMINOPENTANOIC ACID (M+H)+ | 1.1622 | 0.9088 | 0.7129 | 0.7892 | 1.3663 | 0.5345 | 1.7436 | 1.1043 | 0.8860 | 1.1983 | 1.1525 | 0.1117 | 1.1129 | 0.5073 | 1.2680 | 0.2847 | 1.5442 | 2.2230 | 0.0997 | 0.9709 | 0.1427 | 0.1844 | 0.0116 | 1.2558 | 1.4182 | 1.7892 | 0.6464 | 2.1362 | 1.2601 | 1.6562 | 0.3041 | 1.9574 | 1.5171 | 0.6895 | 0.9066 | 0.1985 | 0.2618 | 0.6275 | 2.1816 | 0.8548 | 0.3260 | 0.9486 | 0.7466 | 0.6449 | 1.0579 | 0.7648 | 0.6927 | 0.8120 | 0.9392 | 1.1242 | 1.1688 |
5-HYDROXYINDOLEACETIC ACID (M+Na)+ | 1.3967 | 0.6568 | 1.1681 | 0.9623 | 1.0718 | 0.2947 | 0.7045 | 0.7069 | NA | 0.8537 | 1.2188 | NA | 0.7021 | 1.0255 | 0.9919 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 2.1259 | NA | 1.1951 | NA | NA | 1.6146 | NA | 1.8640 | 0.1462 | NA | NA | 0.9755 | 0.6980 | 1.1297 | 0.5867 | 1.0990 | 0.7300 | 1.2165 | 0.9417 | 1.0358 | 0.7051 | 0.6480 | 1.5591 | 0.9713 | 1.8958 |
5-HYDROXYTRYPTOPHAN (M+H)+ | 1.0216 | 0.7664 | 0.8247 | 0.9089 | 1.0009 | 0.7941 | 0.8914 | 0.8963 | 1.7007 | 1.2720 | 1.3764 | NA | 0.8359 | 0.9139 | 0.9591 | 0.7547 | NA | 0.8701 | 1.0220 | 0.8372 | 0.4359 | 0.6399 | NA | 1.6730 | 1.2899 | 1.0450 | 1.4268 | 0.9288 | 1.3664 | 1.5238 | 0.8640 | 1.1647 | 1.6378 | 1.2450 | 0.7750 | 0.9678 | NA | 0.9589 | 1.0209 | 0.9880 | 0.7933 | 1.1155 | 1.1108 | 1.1380 | 1.1955 | 1.0299 | 0.8718 | 0.8380 | 1.1205 | 0.9096 | 0.7299 |
5^-METHYLTHIOADENOSINE (M+H)+ | 1.1627 | 0.8216 | 0.9842 | 0.7897 | 0.8859 | 0.7067 | 0.7965 | 0.8442 | 1.4074 | 1.2906 | 1.2745 | 0.4542 | 1.0236 | 1.5997 | 0.8061 | 0.7392 | 0.9825 | 0.6165 | NA | 2.0387 | 0.7647 | 0.8832 | 0.4699 | 1.1460 | 1.2217 | 2.1166 | 1.3543 | 1.5657 | 2.1038 | 1.7657 | 0.9896 | NA | 0.4213 | 1.0749 | 0.8733 | 1.2004 | 0.7969 | 0.9981 | 1.2667 | 1.0044 | 0.9256 | 1.1472 | 0.9365 | 1.0357 | 0.7926 | 0.9285 | 1.0358 | 0.7493 | 1.0534 | 0.9695 | 1.0013 |
ACETAMINOPHEN (TN TYLENOL) (M+H)+ | NA | NA | 0.0068 | NA | 0.0098 | 0.0806 | 0.0185 | 0.0147 | NA | 0.3539 | 0.0215 | NA | 0.7082 | 0.0042 | 0.3318 | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.0223 | NA | 0.6211 | 0.0989 | 0.0107 | NA | NA | 0.0783 | NA | 0.4207 | 6.6727 | 0.9689 | 1.5373 | 0.0049 | 0.0015 | 1.2207 | 0.0143 | NA | NA | NA | 2.1264 | 3.9077 | 8.6516 | NA | 1.4521 | 0.7357 | 0.2423 |
ACETAMINOPHEN (TN TYLENOL) (M+Na)+ | 0.0417 | 0.0442 | 0.0400 | 0.0356 | 0.0746 | 0.3677 | 0.9279 | 2.1648 | 6.6215 | 0.0715 | 0.0743 | NA | 1.1049 | 0.0662 | 1.0265 | 0.1011 | 0.0360 | 0.0546 | 0.0586 | 0.0829 | NA | 0.0147 | NA | 0.0805 | 0.0772 | NA | 0.1003 | 0.3871 | 0.0709 | 0.0421 | 0.0068 | 0.0706 | 0.0825 | 0.4013 | 4.9323 | NA | NA | 0.0618 | 0.0836 | 1.8327 | 1.4888 | 0.0462 | 0.0540 | 0.0628 | 2.3390 | 3.5286 | 5.2933 | 0.0345 | 0.6336 | 1.1310 | 0.0709 |
ACETYLCARNITINE (M+H)+ | 0.5681 | 0.9165 | 0.7316 | 0.9191 | 0.9529 | 0.8314 | 1.0718 | 0.5755 | 0.7064 | 0.8189 | 0.9167 | 1.7765 | 1.1456 | 1.2704 | 0.4925 | 0.7557 | 3.1654 | 0.5390 | 2.5529 | 0.6667 | 0.9397 | 0.8939 | 1.6074 | 0.4707 | 0.8362 | 0.5926 | 1.3892 | 1.1420 | 0.7156 | 0.7710 | 2.9945 | 1.3544 | 0.6885 | 1.8184 | 0.8165 | 1.0340 | 2.0699 | 0.6265 | 0.8153 | 1.5189 | 0.7446 | 1.5741 | 1.3897 | 1.0877 | 0.8638 | 1.3897 | 0.8278 | 0.8757 | 0.7683 | 0.8138 | 0.9192 |
ALPHA-LINOLENIC ACID (M+Na)+ | 0.7179 | 0.9261 | 1.1992 | 0.8194 | 1.2822 | 1.2196 | 1.0927 | 1.2284 | 1.7084 | 1.0265 | 1.1620 | 0.5797 | 0.8387 | 1.0847 | 0.8841 | 1.4363 | 1.5442 | 0.6364 | 1.2784 | 0.2179 | NA | NA | 1.1159 | 0.4457 | 0.6928 | 0.3503 | 1.0082 | 0.6544 | 0.6801 | 0.6462 | NA | 1.3084 | 0.3675 | 1.0484 | 0.6858 | 1.1933 | 0.7868 | 0.9219 | 0.9467 | 0.8001 | 0.6580 | 1.2290 | 1.3474 | 1.1808 | 1.3564 | 1.2461 | 0.7050 | 0.8799 | 0.8273 | 0.7678 | 0.6379 |
ALPHA-TOCOPHEROL (M+H)+ | 0.9493 | 0.8621 | 0.5211 | 0.8810 | 0.9185 | 1.1786 | 0.5078 | 1.6867 | 0.3807 | 1.0981 | 0.8343 | 0.6224 | 1.0025 | 0.6538 | 1.7308 | 1.0487 | 0.4375 | 2.1247 | 0.9352 | 0.5865 | 1.2568 | 0.9190 | 0.7619 | 1.0851 | 0.7762 | 0.4777 | 0.8932 | 0.3471 | 0.5819 | 0.1373 | 0.4907 | 0.9841 | 2.6025 | 0.8664 | 1.8413 | 0.7971 | 0.5253 | 0.6673 | 0.7950 | 0.9072 | 1.8826 | 0.8833 | 0.7524 | 0.7074 | 0.9447 | 1.2580 | 0.9600 | 1.3059 | 1.0952 | 1.2502 | 0.8298 |
ASPARAGINE (M+H)+ | 0.8001 | 0.4936 | 0.3674 | 0.4285 | 1.9043 | 1.1822 | 0.6267 | 0.7540 | 0.6173 | 0.6413 | 0.9759 | NA | 1.1180 | 1.4461 | 1.1288 | 0.8778 | 2.0041 | 1.5190 | 0.3804 | NA | NA | 0.2465 | NA | 1.0530 | 0.9479 | NA | 0.9897 | 2.7631 | 1.6735 | NA | 0.3633 | 1.7859 | 0.6300 | 1.7162 | 1.7670 | NA | NA | 0.4751 | 1.0116 | 1.2535 | 1.1446 | 1.1367 | 0.9854 | 0.5902 | 0.7247 | 1.1534 | 0.4952 | 1.0364 | 1.1555 | 1.0949 | 0.6622 |
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+ | 0.7638 | 0.7848 | 1.2046 | 0.7363 | 1.3507 | 0.9683 | 1.0580 | 1.0477 | 1.5002 | 0.8770 | 1.0422 | 0.7940 | 0.9256 | 1.3654 | 1.0159 | 0.6764 | 1.6799 | 0.2177 | 0.3194 | 1.3067 | 0.7724 | 0.7342 | 0.7880 | 1.3681 | 1.0821 | 1.5636 | 1.8893 | 1.3513 | 1.5274 | 1.4351 | 0.8625 | 2.3254 | 0.1631 | 1.0870 | 0.4542 | 0.8780 | 0.8880 | 1.1540 | 0.8656 | 1.1625 | 0.6548 | 1.0848 | 0.9222 | 0.9119 | 0.8252 | 1.1864 | 1.2376 | 0.8743 | 0.8933 | 0.9763 | 0.8118 |
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+Na)+ | 0.6605 | 0.5752 | 1.0173 | 0.6695 | 1.4394 | 1.3183 | 1.1442 | 1.1413 | 1.4552 | 0.7017 | 0.9368 | 0.6988 | 1.0378 | 1.6358 | 1.0074 | 0.9345 | 1.7633 | 0.1104 | 0.2590 | 1.0342 | 1.0153 | 1.2228 | 1.3002 | 1.3178 | 0.5356 | 1.6213 | 1.4308 | 1.3603 | 1.4164 | 2.0897 | 1.6036 | 2.1914 | 0.0815 | 1.4025 | 0.4297 | 1.4989 | 1.0739 | 1.1053 | 0.7848 | 1.1505 | 0.5374 | 1.0697 | 0.8218 | 0.6998 | 0.6159 | 1.4499 | 1.7094 | 0.6267 | 0.6696 | 1.0008 | 0.8703 |
BUTYRYLCARNITINE (*) (M+H)+ | 1.2927 | 1.5003 | 0.7754 | 0.6841 | 1.4736 | 1.2865 | 1.5484 | 0.7022 | 2.9384 | 1.2564 | 1.0689 | 2.7920 | 0.7146 | 0.6394 | 0.4901 | 0.3423 | 0.3867 | 1.0030 | 0.1247 | 0.5379 | 0.1154 | 0.4475 | 0.4025 | 0.3207 | 2.2884 | 0.9256 | 0.9743 | 0.5492 | 2.1577 | 0.3549 | 4.8342 | 2.2987 | 0.5195 | 0.8510 | 0.5278 | 0.4452 | 0.7674 | 0.9789 | 1.2103 | 0.6730 | 0.6163 | 1.2035 | 0.4956 | 0.3965 | 0.6068 | 1.2898 | 1.0458 | 1.6850 | 0.9169 | 1.0102 | 0.8323 |
CAFFEINE (M+H)+ | 1.2056 | 0.9178 | 0.7483 | 0.7921 | NA | NA | NA | NA | NA | 2.5621 | 1.7399 | NA | 0.5565 | 0.0855 | 1.0097 | 0.4856 | 0.1071 | 0.2940 | 0.4277 | 3.7198 | NA | 1.0696 | 1.2459 | 3.3988 | 0.7848 | 1.0118 | 1.6477 | 0.1271 | 1.8112 | 0.5047 | 0.8472 | NA | 2.3994 | 0.9236 | 0.6886 | 0.2053 | 1.6142 | 0.0107 | 0.0805 | 1.0679 | 1.2649 | 1.1170 | 0.2095 | 0.5228 | 0.5156 | 0.2942 | 0.5111 | 1.0678 | 1.1179 | 1.2481 | 0.8597 |
CALCIDIOL (M+H)+[-H2O] | 0.5042 | 0.2544 | 0.6548 | 0.2062 | 1.4426 | 0.8260 | 1.2661 | 0.8172 | NA | 0.8837 | NA | NA | 1.1511 | NA | NA | NA | NA | NA | NA | NA | 1.5881 | 1.5074 | NA | NA | NA | NA | NA | NA | NA | NA | 1.1593 | NA | NA | 1.1414 | NA | NA | NA | 1.4883 | 0.8430 | 1.5187 | NA | 0.4464 | 0.8194 | 0.8000 | 1.0040 | 1.3964 | 1.1145 | 0.6987 | 0.4808 | 1.2362 | 1.4248 |
CARNITINE (M+H)+ | 1.0881 | 0.3952 | 1.2169 | 1.4143 | 1.3915 | 0.3280 | 0.5765 | 0.9620 | 0.8537 | 0.5426 | 0.3558 | NA | 1.3187 | 0.5670 | 2.4603 | 0.4423 | 1.2232 | 0.0296 | 0.0490 | 2.9905 | 0.1587 | 0.8065 | NA | 1.4059 | 0.9224 | 0.4197 | 0.5095 | 1.1219 | 0.6151 | 0.7184 | 0.0176 | 0.1953 | 0.2796 | 1.8668 | 0.8685 | NA | NA | 0.5778 | 0.4525 | 0.8901 | 0.3694 | 1.4758 | 1.7442 | 1.4787 | 0.5795 | 0.5869 | 1.8220 | 2.4179 | 0.8729 | 0.4845 | 0.6082 |
CARNOSINE (M+H)+ | 0.2965 | 0.7026 | 0.4205 | 0.4266 | 0.6159 | 1.3854 | NA | 0.4964 | NA | 1.1892 | NA | NA | 0.7561 | NA | 0.7365 | NA | NA | 0.1433 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.3515 | NA | 1.5346 | NA | NA | NA | 3.7010 | 0.2809 | 0.9113 | 0.6559 | 1.8808 | 0.7166 | 1.9766 | 0.9186 | 0.7332 | 0.3952 | 0.4721 | 0.4676 | 0.7427 |
CARNOSINE (M+Na)+ | 1.2105 | 1.4896 | 1.0401 | 0.5699 | 0.7135 | 0.4959 | 1.1691 | 0.3855 | NA | 0.8933 | 2.3594 | NA | 1.4258 | 1.4395 | 0.5139 | 0.8027 | NA | 0.5284 | 0.8165 | 0.1196 | NA | NA | NA | NA | NA | 0.8901 | 1.8560 | NA | 1.0686 | 0.2221 | NA | NA | 1.7501 | NA | 0.7303 | NA | NA | 1.5255 | 1.8839 | 0.7919 | 0.5499 | 1.1305 | 1.3190 | 1.4570 | 0.6624 | 0.5227 | 0.5854 | 1.1657 | 1.1833 | 0.6965 | 1.2835 |
CHOLESTEROL HYDROGEN SULFATE M+[-HSO4] | 0.6218 | 0.8248 | 1.0835 | NA | 0.6349 | 0.9535 | 0.3735 | 1.7521 | 0.3015 | 1.0064 | 1.7473 | NA | 0.9166 | 1.1419 | NA | NA | NA | NA | NA | 1.3272 | NA | NA | NA | 1.8993 | 0.6702 | 1.5294 | 0.3329 | NA | 0.9636 | 0.1885 | NA | NA | NA | 0.9448 | 0.7910 | NA | NA | NA | 0.6955 | 0.4110 | NA | 1.2244 | 0.3397 | 1.7904 | 0.7884 | 1.1101 | 0.1810 | 1.0070 | 2.7596 | 0.6565 | 0.4283 |
CHOLESTEROL (M+H)+[-H2O] | 1.2449 | 1.0385 | 0.8588 | 1.0076 | 0.6252 | 1.0276 | 0.9300 | 1.2835 | 0.4485 | 1.0168 | 1.1432 | 0.6882 | 0.9132 | 0.9260 | 1.7178 | 0.9076 | 0.8475 | 1.2016 | 0.7533 | 1.4594 | 1.3158 | 0.8583 | 0.7721 | 1.3165 | 1.6142 | 1.0959 | 1.2769 | 0.4002 | 1.4046 | 0.5306 | 0.5017 | 1.3510 | 1.1175 | 0.9087 | 0.9900 | 0.7701 | 0.6268 | 0.9841 | 0.9786 | 1.0265 | 1.0440 | 0.7738 | 0.7156 | 1.0318 | 0.9992 | 0.8870 | 0.8300 | 0.9570 | 1.3165 | 1.1404 | 0.9931 |
CHOLINE M+ | 1.3387 | 1.7279 | 1.0838 | 1.2055 | 0.6696 | 1.2892 | 1.0178 | 0.9125 | 1.0893 | 1.2113 | 1.5288 | 0.3414 | 0.7204 | 0.5688 | 0.5032 | 0.7988 | 1.1659 | 0.4285 | 0.4383 | 0.9115 | 1.9748 | 1.1987 | 2.0254 | 1.5926 | 0.6682 | 0.6609 | 0.7922 | 1.0636 | 0.5776 | 0.6845 | 0.6802 | 1.2158 | 0.4642 | 0.8225 | 0.8318 | 2.1018 | 0.7479 | 1.0886 | 0.8279 | 0.9488 | 1.0385 | 1.1018 | 0.9351 | 0.5858 | 0.6664 | 0.9345 | 1.4261 | 0.9012 | 1.3055 | 0.8640 | 0.9733 |
CITRIC ACID (M+Na)+ | 0.9444 | 0.8375 | 1.2087 | 1.0912 | 0.9546 | 0.6916 | 0.7844 | 0.8225 | 0.8903 | 1.0963 | 1.1277 | 0.2472 | 1.0948 | 1.2636 | 1.1983 | 0.5341 | 1.4430 | 1.0019 | 0.8657 | 1.1336 | 0.3918 | 0.5064 | 0.2064 | 1.3205 | 0.9813 | 1.1602 | 1.1899 | 1.2760 | 1.4055 | 1.2690 | 0.6242 | 1.5802 | 1.2949 | 0.9024 | 1.1041 | 0.2825 | 0.2890 | 0.9820 | 1.0006 | 1.0415 | 0.8309 | 1.1899 | 1.1609 | 1.5187 | 1.0406 | 1.0688 | 0.9607 | 0.8733 | 0.9679 | 0.8054 | 0.8722 |
CREATINE (M+H)+ | 1.2622 | 0.2269 | 0.5507 | 0.3239 | 0.9813 | 1.7965 | 0.6934 | 0.5529 | NA | 0.8431 | 0.6453 | 0.0923 | 1.2563 | 0.5573 | 4.0788 | 0.1102 | 5.0793 | NA | NA | NA | 0.1921 | 0.6020 | 0.1204 | 2.2023 | 3.6456 | NA | 2.1031 | 12.8320 | NA | NA | NA | NA | NA | 2.1134 | 1.0263 | 0.1085 | 0.0999 | 0.1226 | 0.7861 | 1.2459 | 0.2816 | 1.2596 | 0.4762 | 0.5627 | 0.6816 | 1.5608 | 0.1764 | 1.4061 | 1.0237 | 0.8358 | 0.9023 |
CREATININE (M+H)+ | 0.9751 | 0.8593 | 1.0796 | 1.3878 | 1.3352 | 1.1524 | 0.4886 | 0.5922 | 0.5243 | 0.7382 | 0.8566 | NA | 1.0274 | 0.6251 | 1.3460 | 0.9677 | 0.9811 | 0.6074 | NA | NA | NA | 0.3280 | NA | 1.2065 | 0.6653 | NA | 1.0377 | 1.9623 | 1.1395 | NA | NA | 2.2412 | NA | 1.1848 | 1.2320 | NA | NA | 0.3127 | 0.7434 | 1.3735 | 0.9217 | 0.7293 | 0.8539 | 1.0294 | 1.4816 | 1.1753 | 1.3770 | 0.9198 | 0.9514 | 0.5101 | 1.0769 |
CYSTATHIONINE (M+H)+ | 1.0110 | 0.8220 | 0.7847 | 0.6478 | 1.1751 | 0.8563 | 0.7939 | 0.9958 | 0.8761 | 1.1911 | 1.4361 | NA | 1.0132 | 0.9965 | 1.1636 | 0.8149 | 0.5307 | 0.5078 | 0.4096 | 0.9404 | 0.6770 | 0.4818 | NA | 0.9085 | NA | 0.7070 | 0.9846 | 0.7855 | 1.1599 | 0.5203 | 0.7871 | 1.2492 | 1.1199 | 1.0549 | 1.2446 | NA | NA | 1.1752 | 1.3959 | 0.9251 | 1.1578 | 0.9720 | 0.8889 | 0.9367 | 1.0115 | 0.9897 | 0.7674 | 1.0542 | 1.0092 | 0.9250 | 0.8475 |
CYTIDINE 5^-DIPHOSPHOCHOLINE (M+Na)+ | 0.9099 | 0.2973 | 0.9919 | 2.5828 | 0.4426 | 1.0885 | 0.9700 | 0.9731 | NA | 0.9701 | 0.4541 | NA | 1.0323 | NA | 1.8582 | 2.1501 | NA | NA | NA | 0.4479 | 2.7790 | 1.1039 | NA | NA | NA | 0.9699 | 0.8496 | NA | 1.3225 | 1.4019 | 1.6436 | NA | NA | 1.1033 | 1.4946 | NA | NA | 0.4486 | 1.4458 | 0.7837 | 1.0576 | 0.9127 | 0.9990 | 0.5683 | 0.5579 | 1.1472 | 1.0680 | 1.2233 | 0.9586 | 1.1950 | 0.7526 |
DECANOYLCARNITINE (*) (M+H)+ | 0.5946 | 0.7611 | 0.5729 | 0.6776 | 1.0216 | 0.5908 | 0.8128 | 1.2740 | 1.7779 | 0.7263 | 1.1353 | 2.0094 | 1.0473 | 1.5503 | 0.4225 | 0.5952 | 1.5202 | 0.3981 | 0.8481 | 0.1203 | 0.8841 | 0.7914 | 1.5362 | 0.5582 | 0.3902 | 0.3377 | 2.0479 | 1.9130 | 0.7290 | 1.4590 | 2.0927 | 2.7208 | 0.1690 | 2.0474 | 1.0717 | 0.8327 | 1.2321 | 0.1849 | 0.5001 | 1.1072 | 0.7350 | 2.1396 | 1.5380 | 0.8531 | 1.0602 | 1.3757 | 1.3209 | 0.8867 | 0.8604 | 0.6602 | 0.7827 |
DECENOYLCARNITINE (*) (M+H)+ | 0.4475 | 0.6005 | 0.4801 | 0.6307 | 0.8812 | 0.6712 | 0.5760 | 1.0325 | 1.7253 | 0.5657 | 0.5960 | 3.1383 | 1.4640 | 1.7282 | 0.6195 | 0.5154 | 2.4039 | 0.1831 | 0.7671 | 0.5284 | 1.8425 | 1.1094 | 2.7193 | 1.9036 | 0.7374 | 1.1266 | 3.3086 | 2.7264 | 1.3291 | 1.5462 | 2.9735 | 4.0599 | 0.1752 | 2.3604 | 1.0660 | 2.7384 | 2.7448 | 0.1779 | 0.1625 | 1.6842 | 0.9336 | 1.5377 | 1.2184 | 0.4536 | 0.4872 | 1.5202 | 1.4455 | 0.6448 | 0.5825 | 0.9917 | 0.9972 |
DODECENOYLCARNITINE (*) II M+ | 0.5540 | 0.9600 | 0.4786 | 0.3963 | 1.6533 | 0.5503 | 0.5664 | 0.9486 | 1.4806 | 0.7921 | 0.9898 | 0.5297 | 1.3533 | 0.7278 | 0.2403 | 0.6297 | 3.4090 | 0.1092 | 0.7633 | 0.2624 | 0.4179 | 0.6691 | 1.3850 | 0.1961 | 0.1321 | 0.1488 | 1.8361 | 1.8594 | 0.4961 | 1.3187 | 1.8975 | 1.8723 | 0.0326 | 1.8801 | 0.4420 | 1.1760 | 1.2776 | 0.1852 | 0.1939 | 1.6303 | 0.5550 | 2.1415 | 2.1863 | 0.8166 | 1.3159 | 1.2746 | 0.8176 | 0.7676 | 0.5035 | 0.9449 | 0.5793 |
DODECENOYLCARNITINE (*) M+ | 1.1932 | 0.7573 | 0.4090 | 0.5868 | 0.7423 | 0.6305 | 0.6665 | 0.6547 | 1.1452 | 0.4702 | 0.9155 | 1.5147 | 1.6259 | 1.7178 | 0.6284 | 0.2938 | 2.9945 | NA | 0.5998 | NA | NA | NA | 1.7868 | 0.4444 | 0.5368 | 0.3253 | 2.1145 | 2.0435 | 0.6429 | 0.4101 | NA | 2.2012 | NA | 1.8081 | 0.6722 | 1.1469 | 1.5638 | 0.8876 | 0.4638 | 1.4221 | 0.3799 | 1.6176 | 1.3267 | 0.5481 | 0.9669 | 1.4205 | 0.9076 | 0.7983 | 0.3607 | 1.0426 | 0.8664 |
DUMP (M+H)+ | 1.1274 | 0.9787 | 1.3680 | 3.2911 | 1.2387 | 0.8452 | 1.2035 | 1.2734 | NA | 1.0743 | NA | NA | 0.8037 | 0.5972 | 1.7064 | 1.3040 | NA | NA | NA | NA | 0.9317 | 0.6176 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0342 | 0.6079 | NA | NA | 1.0413 | 0.7045 | 0.6272 | 1.0498 | 0.6796 | 1.1391 | 1.0887 | 0.9227 | 1.2253 | 1.0379 | 0.9789 | 0.8805 | 0.6125 | 0.7736 |
EICOSANOYLCARNITINE (*) (M+H)+ | 0.6685 | 0.6484 | 0.7397 | 0.7659 | 1.1162 | 0.5427 | 0.8774 | 0.7940 | 3.1803 | 0.8151 | 1.1261 | 1.1034 | 1.0274 | 1.4311 | 0.8197 | 0.3489 | 1.3328 | NA | NA | 0.9606 | 0.4528 | 0.5883 | 0.8227 | 1.2861 | 0.3028 | 1.3767 | 1.4587 | 1.4658 | 0.6645 | 1.7342 | 1.5825 | 1.4361 | NA | 1.2879 | 1.1974 | 0.3576 | 0.6398 | 0.6809 | 0.7344 | 1.1515 | 0.5952 | 1.7052 | 1.8111 | 0.8232 | 0.6513 | 1.0376 | 1.3726 | 1.2623 | 1.1005 | 0.9943 | 1.0430 |
EICOSATRIENOYLCARNITINE (*) M+ | 0.6271 | 1.1214 | 0.6881 | 0.8022 | 1.7509 | 0.5151 | 0.7604 | 0.8876 | 1.1959 | 1.1201 | 1.1024 | 1.0398 | 0.8701 | 1.5841 | 0.5572 | 1.0651 | 2.1558 | 0.4275 | 1.4079 | NA | NA | 0.9432 | 0.9308 | 0.3928 | 0.1116 | NA | 0.7820 | 1.1312 | 0.9986 | NA | NA | 0.8880 | NA | 1.0928 | 0.9291 | 1.1816 | 1.1959 | 0.4755 | 0.9096 | 0.8856 | 0.9104 | 1.6735 | 2.0587 | 0.7595 | 1.0220 | 1.1399 | 0.9298 | 0.9658 | 0.6790 | 0.6742 | 0.9023 |
EICOSENOYLCARNITINE (*) (M+H)+ | 1.0930 | 1.0802 | 0.6823 | 0.8674 | 1.1682 | 0.4898 | 0.8018 | 0.7134 | 2.1577 | 0.9269 | 1.1081 | 0.7847 | 0.8416 | 0.9961 | 0.8218 | 0.5257 | 2.5435 | NA | NA | NA | NA | NA | 1.0498 | 0.7318 | NA | 0.6215 | 1.0352 | 1.7435 | 0.3387 | 1.4768 | NA | 0.8259 | NA | 1.2375 | 0.9165 | 0.4611 | 0.4765 | 0.3850 | 0.4505 | 0.9915 | 0.5633 | 1.9662 | 2.6969 | 0.8731 | 1.0558 | 1.1277 | 1.5496 | 0.8943 | 0.9984 | 0.9047 | 0.6421 |
ELAIDIC ACID (M+H)+ | 0.5231 | 0.7516 | 0.8760 | 0.6123 | 1.4466 | 0.6018 | 0.5326 | 1.0154 | 1.5250 | 1.0895 | 1.0919 | 0.5793 | 1.0227 | 1.5375 | 1.0929 | 0.7448 | 2.1587 | 0.4404 | 1.3555 | 0.1869 | 0.1737 | 0.6821 | 1.0656 | 0.3598 | 0.2006 | 0.5893 | 1.6963 | 1.2921 | 1.3406 | 2.1037 | 0.7212 | 2.7919 | 0.3984 | 1.3539 | 0.8014 | 1.3787 | 0.8500 | 0.5896 | 0.6002 | 1.1852 | 0.4047 | 1.6144 | 1.6152 | 1.1629 | 1.0439 | 1.4862 | 1.0932 | 0.8214 | 0.7608 | 0.8635 | 0.6249 |
ELAIDIC ACID (M+Na)+ | 1.0984 | 1.0253 | 1.1244 | 1.2346 | 0.3678 | 0.8205 | 0.9406 | 1.0683 | NA | 1.4000 | NA | NA | 0.5677 | NA | NA | NA | NA | NA | NA | NA | NA | 1.3464 | NA | NA | NA | NA | NA | NA | NA | NA | 1.3498 | NA | NA | 1.2612 | NA | NA | NA | 0.5353 | 0.4107 | 0.9342 | NA | 0.0905 | 0.6251 | 1.3909 | 0.7319 | 0.8402 | 1.7220 | 1.1780 | 1.2264 | 0.9270 | NA |
EPIBRASSINOLIDE [ISTD] (M+H)+ | 1.0973 | 0.8756 | 1.0742 | 0.9165 | 1.1541 | 0.6713 | 0.8529 | 1.1067 | 1.3073 | 1.0420 | 0.9868 | 0.2769 | 1.0228 | 1.1772 | 1.2267 | 0.6960 | 1.2845 | 1.1419 | 1.2991 | 1.3415 | 0.2621 | 0.4603 | 0.2600 | 1.1951 | 1.2325 | 1.4469 | 1.2186 | 1.2950 | 1.4187 | 1.6486 | 0.2695 | 1.5692 | 1.1707 | 0.8783 | 1.1871 | 0.2768 | 0.2578 | 0.8703 | 0.9949 | 1.0721 | 0.8678 | 1.0345 | 1.0309 | 1.0839 | 0.9245 | 1.1345 | 0.8959 | 0.9568 | 1.0746 | 0.9675 | 0.9180 |
EPIBRASSINOLIDE [ISTD] (M+Na)+ | 1.0232 | 0.9405 | 1.0422 | 0.9146 | 1.0599 | 0.8706 | 0.9561 | 1.0140 | 1.1922 | 0.9822 | 1.0545 | 0.7610 | 1.0006 | 1.1270 | 1.0319 | 0.8294 | 1.2440 | 0.8629 | 0.9749 | 1.1914 | 0.8071 | 0.8184 | 0.7947 | 1.1325 | 1.1492 | 1.2343 | 1.1854 | 1.1367 | 1.2439 | 1.3684 | 0.8138 | 1.3674 | 0.8954 | 0.9554 | 0.9544 | 0.8483 | 0.7965 | 0.9917 | 1.0218 | 1.0633 | 0.8574 | 1.0441 | 0.9848 | 1.0203 | 0.9810 | 1.0302 | 0.9588 | 0.9632 | 1.0286 | 0.9768 | 0.9711 |
GAMMA-LINOLENIC ACID (M+Na)+ | 0.6850 | 0.9297 | 1.2083 | 0.8071 | 1.2665 | 1.1964 | 1.0923 | 1.2267 | 1.7550 | 1.0373 | 1.2013 | 0.5719 | 0.8440 | 1.0622 | 0.8831 | 1.4057 | 1.5946 | 0.6317 | 1.2754 | 0.2327 | NA | NA | 1.0867 | 0.4584 | 0.7095 | 0.3106 | 1.0072 | 0.6525 | 0.6552 | 0.6267 | NA | 1.3031 | 0.3694 | 1.0428 | 0.6937 | 1.1462 | 0.7878 | 0.9209 | 0.9561 | 0.8026 | 0.6818 | 1.2211 | 1.3220 | 1.1396 | 1.3892 | 1.2286 | 0.7194 | 0.8730 | 0.8395 | 0.7811 | 0.6313 |
GLUCOSE (M+Na)+ | 0.9037 | 0.8065 | 1.0504 | 0.7720 | 1.0938 | 0.5423 | 0.6952 | 1.0893 | 0.9741 | 0.6999 | 0.3963 | 0.0828 | 1.0904 | 0.6911 | 1.6658 | 0.4081 | 1.0899 | 0.4304 | 1.6327 | 0.6556 | 0.7055 | 0.3062 | 0.1451 | 1.4408 | 3.3476 | 1.1884 | 2.2245 | 0.8751 | 2.0099 | 0.1571 | 0.4299 | 2.7794 | 3.3065 | 1.1073 | 1.6073 | 0.1180 | 0.0990 | 0.6603 | 0.6510 | 1.1437 | 0.6604 | 0.8855 | 1.0964 | 1.0603 | 0.8854 | 1.8832 | 0.3239 | 1.6225 | 0.8048 | 1.2354 | 1.1754 |
GLUTARYLCARNITINE (*) (M+H)+ | 0.6629 | 0.6884 | 0.6543 | 0.5088 | 0.7750 | 1.1688 | 0.8075 | 0.7392 | 0.3434 | 0.9559 | 0.7320 | NA | 1.4611 | 1.5007 | 0.9689 | 1.6469 | 0.2193 | 0.6310 | NA | 0.2810 | 3.2258 | 4.0670 | NA | 0.3600 | 0.1037 | 0.6163 | 0.2760 | 1.0920 | 0.3596 | 0.3481 | 2.4628 | 0.1310 | 0.1129 | 1.7628 | 1.9634 | NA | NA | 1.2106 | 1.4279 | 0.8971 | 1.6075 | 0.6342 | 0.7879 | 0.6990 | 0.6393 | 0.6429 | 1.0353 | 0.7334 | 0.8233 | 1.4834 | 1.9949 |
GLYCEROL MYRISTATE (M+Na)+ | 0.7853 | 0.9995 | 0.9684 | 0.5346 | 1.1689 | 0.8229 | 1.1749 | 0.7908 | 0.9600 | 1.8824 | 1.4653 | NA | 0.6724 | 0.7210 | 0.8708 | 0.3871 | 0.8567 | NA | NA | 0.5149 | NA | 0.2627 | 0.6064 | 0.9828 | NA | 0.4303 | 1.1828 | 0.5284 | 1.0146 | 0.5033 | NA | 0.8902 | NA | 0.9506 | 0.7715 | 0.4950 | 0.3492 | 1.1250 | 1.8618 | 0.8362 | 0.4837 | 0.7981 | 0.8295 | 1.2961 | 1.2226 | 0.7862 | 0.6338 | 0.7616 | 1.2203 | 0.6507 | 0.9216 |
GLYCOCHENODEOXYCHOLIC ACID (M+H)+ | 1.2556 | 0.7191 | 0.9869 | 0.9171 | 0.6311 | 0.9168 | 1.0239 | 1.1079 | 1.1771 | 1.2075 | 1.2202 | NA | 0.7369 | 0.6187 | 0.6122 | 0.9758 | 1.3797 | 0.4079 | NA | 2.9371 | 0.3254 | 0.7325 | NA | 1.3397 | 1.7446 | 1.6816 | 1.1251 | 0.7420 | 1.4677 | 2.1922 | NA | 1.0739 | 0.2488 | 0.8939 | 0.6417 | NA | NA | 0.7364 | 1.3178 | 1.1342 | 0.6043 | 0.7244 | 0.8683 | 1.2362 | 0.6968 | 0.9884 | 1.2944 | 1.1646 | 1.2056 | 1.0636 | 0.9280 |
GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O] | 1.4728 | 0.7021 | 1.1067 | 0.9559 | 0.5664 | 0.6844 | 0.7088 | 1.2694 | 1.2319 | 1.3552 | 1.2390 | 0.6387 | 0.8207 | 0.6175 | 1.0012 | 0.9576 | 1.4978 | 0.7309 | 0.0616 | 3.3700 | 0.1902 | 0.5436 | 0.2808 | 0.7143 | 2.1411 | 1.9561 | 0.9516 | 0.8449 | 1.7782 | 2.5202 | 0.0081 | 1.0221 | 0.3656 | 1.0954 | 0.8162 | 0.9009 | 0.2496 | 0.6644 | 1.3480 | 1.1289 | 0.7174 | 0.5470 | 0.9579 | 1.0888 | 0.7019 | 0.8943 | 1.2130 | 1.2206 | 1.2333 | 1.1688 | 0.9893 |
GLYCOCHENODEOXYCHOLIC ACID (M+Na)+ | 1.3631 | 0.7161 | 1.0731 | 0.9204 | 0.5369 | 0.8137 | 0.9148 | 1.1162 | 1.0606 | 1.2988 | 1.3028 | 1.7683 | 0.9330 | 0.5179 | 0.8633 | 1.2034 | 1.3418 | 0.5548 | NA | 2.9064 | 0.3613 | 0.8044 | 0.6616 | 1.6353 | 1.7405 | 1.5074 | 0.8332 | 0.7531 | 1.5584 | 2.1464 | 0.0277 | 0.7878 | 0.3827 | 0.8985 | 0.6855 | 2.8046 | 0.6583 | 0.7165 | 1.5159 | 1.0955 | 0.9335 | 0.4810 | 0.8660 | 1.0352 | 0.5897 | 0.7985 | 1.2934 | 1.2852 | 1.2597 | 1.0633 | 1.0239 |
GLYCOCHOLIC ACID (M+H)+[-H2O] | 1.0463 | 0.7907 | 0.7900 | 1.1172 | 0.8206 | 0.2931 | 1.4702 | 0.5985 | 0.8387 | 0.6860 | 0.6039 | NA | 1.5015 | 0.6200 | 1.2914 | 0.3634 | 0.8142 | 0.5924 | NA | 1.6910 | 0.3604 | 0.4249 | NA | 1.8483 | 0.8384 | NA | 1.5992 | 1.0968 | 1.7265 | 1.5048 | 0.0812 | 0.5368 | 1.3657 | 1.2432 | 0.9304 | NA | NA | 0.8767 | 0.5060 | 0.9983 | 0.4625 | 0.5953 | 1.0475 | 1.2785 | 1.2983 | 2.2999 | 1.0663 | 0.7078 | 0.8397 | 0.9690 | 1.2217 |
HEXANOYLCARNITINE (*) M+ | 0.3851 | 0.5555 | 0.4770 | 0.5488 | 1.0521 | 0.6556 | 1.2097 | 1.6146 | 6.7539 | 0.7810 | 0.8260 | 1.6487 | 1.2579 | 1.2742 | 0.4484 | 0.6978 | 2.7504 | 0.4994 | 0.7925 | 0.2752 | 0.8687 | 0.8350 | 1.9290 | 0.8435 | 0.4393 | 0.3917 | 2.0565 | 1.4229 | 0.6968 | 1.6530 | 2.4165 | 1.8820 | 0.2187 | 2.5590 | 0.8827 | 1.7725 | 1.7507 | 0.2732 | 0.5719 | 1.4474 | 0.8755 | 1.6515 | 1.2549 | 0.5760 | 0.5925 | 1.3134 | 1.1255 | 0.8542 | 0.7197 | 0.7996 | 0.8191 |
HIPPURIC ACID (M+H)+ | 1.1218 | 1.0524 | 1.3625 | 1.1804 | 1.7886 | 1.4064 | 1.6919 | 1.4204 | 7.2683 | 2.0362 | 1.6613 | 0.2010 | 0.3948 | 0.4553 | 0.6832 | 0.6361 | 0.5232 | 0.6215 | 0.3122 | 0.5433 | 0.1658 | 0.3296 | 0.0181 | 1.0681 | 0.8830 | 0.9145 | 0.7970 | 0.2005 | 1.3596 | 0.3227 | 0.2602 | 0.8232 | 0.5854 | 0.5528 | 0.5168 | 0.1709 | 0.3251 | 0.6049 | 0.8608 | 0.6067 | 0.8080 | 0.7354 | 0.5893 | 1.0639 | 1.0345 | 1.1746 | 0.8569 | 0.8616 | 1.0425 | 0.5968 | 0.4331 |
HIPPURIC ACID (M+Na)+ | 1.0588 | 1.1233 | 1.4096 | 1.1443 | 1.5942 | 1.6005 | 1.5536 | 1.4442 | 5.3103 | 1.8767 | 1.6562 | 0.3635 | 0.4229 | 0.4317 | 0.6042 | 0.7102 | 0.5228 | 0.4281 | 0.2212 | 0.4508 | 0.3430 | 0.6155 | 0.4779 | 0.9354 | 0.7745 | 0.7570 | 0.8164 | 0.1831 | 1.1286 | 0.2883 | 0.5565 | 0.6612 | 0.4025 | 0.7863 | 0.3732 | 0.3143 | 0.4390 | 0.7330 | 0.8621 | 0.6738 | 0.6716 | 0.8071 | 0.5966 | 1.0188 | 0.9979 | 1.2037 | 0.9880 | 0.8538 | 0.9818 | 0.7162 | 0.4341 |
HOMOGENTISIC ACID (M+H)+ | 0.9142 | 0.7562 | 0.9090 | 0.9041 | 1.2947 | 0.7121 | 0.8667 | 0.9571 | 0.4722 | 1.0781 | 0.7474 | 0.7194 | 1.1077 | 1.1720 | 0.9332 | 1.2587 | 4.2578 | 0.4655 | 0.6046 | 2.6033 | 1.2901 | 0.9432 | 2.0635 | 1.3131 | 0.5732 | 1.4322 | 1.3038 | 0.8385 | 1.5579 | 1.1656 | 0.5797 | 1.1779 | 1.1182 | 1.0654 | 0.9873 | 1.5528 | 3.0123 | 0.6343 | 0.8275 | 1.1372 | 0.9059 | 0.9073 | 1.1541 | 1.0811 | 0.9760 | 1.3310 | 0.7379 | 0.6229 | 0.8477 | 0.7999 | 0.9700 |
HOMOVANILLIC ACID (M+H)+ | 1.0591 | 0.5172 | 1.4240 | 0.6223 | 0.7086 | 0.5753 | 1.1194 | 0.6214 | 1.0670 | 1.0486 | 1.0573 | 0.8530 | 1.0667 | NA | NA | 0.2145 | NA | 0.3975 | 0.5199 | 1.0014 | NA | NA | 1.1176 | 1.3512 | 1.7816 | 0.8259 | 0.5702 | NA | 1.1481 | 0.2437 | NA | NA | 0.7706 | 1.1588 | 1.6401 | 0.8793 | 0.9112 | 0.2739 | 1.9130 | 0.8154 | 0.5266 | 0.7365 | 1.2955 | 0.8739 | 0.3397 | 0.5300 | 0.3363 | 1.5938 | 1.9215 | 0.7714 | 0.8029 |
INDOLE-3-ACETALDEHYDE (M+H)+ | 6.2574 | 5.3673 | 1.0631 | 1.0124 | 1.0630 | 0.9901 | 0.3159 | 0.3952 | NA | 0.8304 | 0.7352 | 0.5072 | 0.3378 | 0.3082 | 0.4422 | 0.5323 | NA | NA | 0.2269 | 0.7274 | 1.2219 | 0.6664 | 0.8855 | NA | NA | NA | 0.3642 | NA | 0.1957 | 0.1621 | 0.8278 | 0.9274 | NA | 0.2299 | 1.0965 | 0.5910 | 0.2628 | 0.5393 | 0.8001 | 0.4050 | 2.9370 | 0.5591 | 0.5632 | 0.8951 | 0.6190 | 0.9158 | 1.0946 | 0.6217 | 0.3544 | 0.4756 | 0.6790 |
ISO-BUTYRYLCARNITINE (*) (M+H)+ | 1.2713 | 1.2473 | 0.7350 | 0.7999 | 1.2495 | 1.1645 | 1.2958 | 0.6104 | 2.2954 | 1.2213 | 1.2029 | 1.6087 | 1.0537 | 0.7746 | 0.3812 | 0.4620 | 0.7788 | 0.6051 | 0.1163 | 0.8641 | 0.0553 | 0.5314 | 0.6952 | 0.6966 | 1.7818 | 0.6196 | 1.2181 | 0.8690 | 2.1380 | 0.5582 | 3.8353 | 1.6122 | 0.9119 | 1.3743 | 0.6877 | 1.2164 | 1.1973 | 0.8913 | 1.2171 | 0.7824 | 0.6602 | 1.1196 | 0.5064 | 0.5691 | 0.6190 | 1.0806 | 1.0481 | 1.5018 | 0.9912 | 0.9377 | 0.7923 |
ISOLEUCINE (M+H)+ | 0.7354 | 0.8537 | 1.1013 | 1.0162 | 1.1398 | 1.2198 | 0.9849 | 1.0376 | 1.6773 | 1.1863 | 1.1221 | 0.3895 | 1.0606 | 1.0131 | 0.4768 | 1.0044 | 1.6669 | 0.8619 | 0.7371 | 0.7524 | 0.6523 | 0.4904 | 0.5692 | 1.3357 | 1.3131 | 0.7371 | 1.0126 | 2.3988 | 1.1750 | 1.0868 | 0.8361 | 0.5890 | 0.7743 | 0.8920 | 1.1353 | 0.4744 | 0.6454 | 0.8476 | 1.4281 | 0.9403 | 0.7996 | 0.9376 | 0.9078 | 0.9566 | 1.0013 | 0.9822 | 0.9250 | 0.8950 | 1.0522 | 0.8283 | 1.0059 |
ISOLEUCINE (M+Na)+ | 0.7928 | 0.8611 | 0.6237 | 0.7648 | 1.1014 | 0.9362 | 0.7388 | 0.9436 | 0.7796 | 1.0540 | 1.0311 | 1.0331 | 1.1378 | 1.1949 | 0.6355 | 1.0510 | 1.4957 | 1.2311 | 1.0148 | 0.8081 | 0.8790 | 1.0622 | 1.2910 | 0.6792 | 0.6334 | 0.8027 | 1.1128 | 1.3181 | 0.9246 | 1.1801 | 1.4198 | 1.0981 | 1.1157 | 1.0572 | 1.2402 | 1.6809 | 1.8111 | 1.1692 | 1.5759 | 1.0486 | 0.9539 | 1.0071 | 1.1081 | 0.7723 | 1.0016 | 1.0741 | 0.8658 | 0.8943 | 0.8294 | 0.8469 | 1.0626 |
ISOVALERYLCARNITINE (*) (M+H)+ | 0.7375 | 0.7328 | 0.5802 | 0.6689 | 1.1650 | 1.2986 | 1.4112 | 1.1764 | 1.8439 | 1.0293 | 1.4094 | 0.7361 | 1.4539 | 1.3617 | 0.4537 | 0.8162 | 1.3577 | 0.4296 | 0.2122 | 0.6580 | 0.7905 | 0.6659 | 1.3022 | 0.5736 | 0.8862 | 0.6147 | 0.9347 | 1.7345 | 0.8445 | 0.6995 | 1.7654 | 2.0442 | 1.4702 | 1.3919 | 0.9227 | 0.9822 | 1.3297 | 1.1329 | 1.7578 | 0.8088 | 0.9746 | 0.8066 | 1.0446 | 0.5084 | 0.8211 | 0.8406 | 0.9546 | 0.6060 | 0.9058 | 0.8044 | 0.8614 |
KYNURENINE (M+H)+ | 1.3812 | 0.9714 | 0.8671 | 0.9631 | 0.8978 | 0.8137 | 0.8447 | 0.9405 | 1.5666 | 1.2641 | 1.4143 | 0.4048 | 0.8435 | 0.8877 | 0.9614 | 0.6665 | 0.7165 | 0.8937 | 0.9238 | 1.0484 | 0.7072 | 0.6802 | 0.3777 | 1.6267 | 1.1303 | 1.1285 | 1.2136 | 1.2239 | 1.3306 | 1.2653 | 0.6362 | 1.1431 | 2.0828 | 1.0455 | 0.8616 | 0.7899 | 0.4063 | 1.0027 | 1.2622 | 0.8391 | 0.7402 | 1.0360 | 1.0065 | 1.1000 | 1.0480 | 1.0460 | 0.8701 | 0.9621 | 1.3238 | 0.8525 | 0.7846 |
KYNURENINE (M+Na)+ | NA | 1.3208 | 1.2814 | 1.0706 | 0.5503 | 0.9480 | 0.7262 | 0.6708 | NA | NA | 1.4210 | 0.4297 | 1.2046 | 0.8846 | NA | 0.8483 | NA | NA | NA | NA | NA | NA | 0.5061 | NA | NA | NA | 0.7607 | NA | NA | NA | NA | NA | NA | 1.6125 | NA | 0.9038 | 0.6862 | NA | 1.2902 | 0.4662 | 1.1543 | 0.8326 | 0.9160 | NA | 1.0847 | 0.8524 | 0.6815 | 1.3472 | 0.8342 | NA | 0.6353 |
L-ARGININE (M+H)+ | 1.4081 | 0.9596 | 1.1302 | 1.1178 | 0.7818 | 1.0117 | 0.9296 | 0.8263 | 1.6382 | 0.8024 | 1.0830 | NA | 0.8286 | 0.9886 | 1.0482 | 1.5470 | 0.4350 | 1.5713 | 1.1295 | 1.8043 | 0.3932 | 0.7804 | NA | NA | NA | 2.3153 | 1.0660 | 2.5436 | 1.0072 | 1.4389 | 0.1929 | 0.6394 | 0.3996 | 0.8556 | 1.1033 | NA | NA | 0.7939 | 0.9953 | 1.1407 | 0.9277 | 1.1464 | 0.7638 | 0.8476 | 0.7528 | 0.8815 | 1.0578 | 1.0494 | 1.6299 | 0.8357 | 1.2434 |
L-ARGININE (M+Na)+ | 1.2218 | 0.9075 | 0.9316 | 1.0085 | 1.0428 | 1.0346 | 0.9057 | 1.1129 | 1.1010 | 1.4086 | 1.5615 | NA | 0.8298 | 0.8990 | 0.7823 | 0.8952 | NA | NA | 0.4857 | NA | 0.5025 | 0.3514 | NA | 1.2624 | 0.5461 | 1.4756 | 0.8977 | 1.6598 | 0.8894 | 0.7195 | 0.3588 | 0.7658 | 0.5543 | 0.9640 | 1.1204 | NA | NA | 1.3108 | 1.2605 | 0.8943 | 0.8539 | 1.0480 | 0.9245 | 0.8862 | 0.8524 | 0.9542 | 0.9365 | 0.7981 | 1.1804 | 0.7073 | 1.1317 |
LAUROYLCARNITINE (M+H)+ | 0.7593 | 0.9140 | 0.4171 | 0.5853 | 1.2405 | 0.4949 | 0.7959 | 0.9804 | 1.3627 | 0.8755 | 1.2443 | 1.5035 | 1.2415 | 1.5005 | 0.3074 | 0.6075 | 2.6672 | 0.2996 | 0.7782 | 0.1771 | NA | 0.2265 | 1.3678 | 0.5081 | 0.4084 | 0.4287 | 1.9595 | 2.9039 | 0.6777 | 1.6160 | NA | 2.1140 | 0.1407 | 1.8281 | 0.7126 | 1.1580 | 1.2567 | 0.1933 | 0.5273 | 1.2744 | 0.6207 | 2.1553 | 1.9669 | 0.5070 | 1.0147 | 1.2926 | 1.0184 | 0.7654 | 0.9238 | 0.6741 | 0.9213 |
LEUCINE (M+H)+ | 0.7406 | 0.8397 | 1.1145 | 0.9867 | 1.0991 | 1.2193 | 0.9884 | 1.0315 | 1.6899 | 1.2052 | 1.1236 | 0.3582 | 1.0837 | 1.0756 | 0.4503 | 1.0078 | 1.6795 | 0.8137 | 0.7423 | 0.7622 | 0.7010 | 0.5187 | 0.5127 | 1.3457 | 1.3230 | 0.7515 | 0.9198 | 2.4168 | 1.1354 | 0.8944 | 0.8985 | 0.5423 | 0.7797 | 0.9373 | 1.1239 | 0.4667 | 0.6929 | 0.9510 | 1.3584 | 0.9775 | 0.8927 | 0.9366 | 0.9206 | 0.9820 | 1.0010 | 1.0001 | 0.9168 | 0.8725 | 1.0593 | 0.8153 | 0.9494 |
LEUCINE (M+Na)+ | 0.7970 | 0.8586 | 0.6226 | 0.7647 | 1.1022 | 0.9364 | 0.7404 | 0.9423 | 0.7798 | 1.0518 | 1.0285 | 1.0337 | 1.1371 | 1.1971 | 0.6357 | 1.0514 | 1.4959 | 1.2314 | 1.0151 | 0.7912 | 0.8804 | 1.0622 | 1.2913 | 0.6793 | 0.6335 | 0.8289 | 1.1180 | 1.3186 | 0.9378 | 1.1916 | 1.4222 | 1.0986 | 1.1162 | 1.0578 | 1.2406 | 1.6819 | 1.8117 | 1.1671 | 1.5741 | 1.0464 | 0.9540 | 1.0104 | 1.1109 | 0.7765 | 1.0013 | 1.0769 | 0.8633 | 0.8931 | 0.8298 | 0.8441 | 1.0596 |
LINOLEOYLCARNITINE (*) (M+H)+ | 0.5701 | 0.6010 | 0.6937 | 0.6336 | 1.1182 | 0.5756 | 0.4831 | 0.6314 | 1.1167 | 0.6503 | 1.0464 | 0.7584 | 1.2085 | 1.2498 | 0.8005 | 0.6180 | 7.0047 | 0.1939 | 0.8593 | 2.4661 | NA | 0.4151 | 1.1742 | 1.1120 | 0.5224 | 3.5039 | 2.3250 | 2.2677 | 1.9473 | 2.9150 | NA | 2.4311 | 0.2464 | 1.2794 | 0.7728 | 2.1413 | 1.3286 | 0.8097 | 0.3445 | 1.7514 | 0.8106 | 1.2921 | 1.8772 | 0.4706 | 0.6228 | 1.4097 | 1.7155 | 0.6254 | 0.6518 | 0.9450 | 1.3357 |
LL-2,6-DIAMINOHEPTANEDIOIC ACID (M+H)+[-H2O] | 0.7417 | 0.7044 | 0.6534 | 0.5817 | 1.0658 | 0.4745 | 0.5309 | 0.5434 | 0.3610 | 0.6752 | 0.3263 | 0.8864 | 1.4354 | 1.5904 | 1.6751 | 0.9352 | 2.6593 | NA | NA | 2.2170 | 0.7052 | 1.1972 | 1.0789 | 1.8944 | 2.7750 | 1.6658 | 1.4782 | 2.7498 | 1.6790 | 2.1633 | 0.3708 | NA | NA | 1.1233 | 1.5275 | 0.6808 | 0.6288 | 0.5163 | 0.4768 | 1.7723 | 0.7709 | 0.6117 | 0.4143 | 1.1286 | 0.6567 | 1.3058 | 0.9811 | 0.3789 | 0.6156 | 1.4755 | 1.3257 |
L-METHIONINE SULFOXIMINE (M+Na)+ | 1.1689 | 0.4795 | 1.7595 | 0.8933 | 0.6339 | 1.7180 | 1.0805 | 0.8122 | 0.9259 | 1.0441 | 0.6812 | NA | 0.6882 | 0.4558 | 1.9386 | NA | NA | NA | NA | 1.6588 | NA | NA | NA | 1.6381 | NA | NA | 1.6832 | 0.9987 | 0.8522 | 0.5287 | NA | 0.5526 | NA | 1.0036 | NA | NA | NA | 0.5370 | 0.8997 | 1.2466 | NA | 0.9724 | 1.4478 | 1.1017 | 0.9570 | 0.7330 | 0.8895 | 0.7433 | 1.2834 | 0.8101 | 1.1755 |
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+ | 1.0193 | 0.9360 | 1.1072 | 1.0116 | 1.0780 | 0.8233 | 0.9586 | 1.0254 | 1.1646 | 1.0494 | 0.9638 | 0.8026 | 0.9718 | 1.0163 | 1.0058 | 0.7696 | 1.1405 | 1.1259 | 1.2641 | 1.4569 | 0.6633 | 0.6398 | 0.6954 | 1.1739 | 1.1894 | 1.3600 | 1.2712 | 1.1098 | 1.3175 | 1.4213 | 0.6902 | 1.3360 | 1.1962 | 0.8755 | 0.9976 | 0.7446 | 0.6873 | 0.9158 | 0.9523 | 1.1310 | 0.8325 | 1.0048 | 0.9331 | 1.0534 | 0.9913 | 1.0727 | 0.9413 | 0.9634 | 1.0778 | 0.9889 | 0.9529 |
LYSINE (M+H)+ | 0.9440 | 0.8282 | 0.7086 | 0.8225 | 1.0497 | 0.8701 | 0.9117 | 0.9620 | 2.1154 | 1.0635 | 1.1897 | 0.2593 | 1.0788 | 1.3117 | 0.8892 | 0.7618 | 1.4706 | 1.9980 | 1.3067 | 1.0934 | 0.2717 | 0.5000 | 0.3327 | 1.3802 | 0.9008 | 1.9699 | 1.1969 | 2.5959 | 1.0848 | 1.6919 | 0.4694 | 1.1375 | 1.8085 | 1.0162 | 1.6054 | 0.4075 | 0.3642 | 0.7346 | 1.2473 | 1.0369 | 1.0167 | 1.0974 | 1.1847 | 0.7482 | 0.6878 | 1.1069 | 1.0460 | 0.8924 | 1.0993 | 0.9011 | 1.1533 |
LYSINE (M+Na)+ | 0.8491 | 0.7914 | 0.6626 | 0.8709 | 1.0039 | 0.8668 | 1.0269 | 0.9145 | 1.7888 | 0.9901 | 1.3298 | NA | 1.0384 | 1.3009 | 0.8396 | 1.1806 | 1.2968 | 1.7275 | 1.0517 | 0.7387 | 0.3184 | 0.6225 | NA | NA | 0.8374 | 1.6653 | 1.2305 | 2.5780 | 0.9902 | NA | 0.5425 | 1.0445 | 1.5240 | 0.9278 | 1.4484 | NA | NA | 0.7065 | 1.2638 | 0.9527 | 1.2338 | 1.1457 | 1.1505 | 0.6982 | 0.7321 | 1.1030 | 1.0002 | 0.8955 | 1.0220 | 0.9634 | 1.3421 |
METHIONINE (M+H)+ | 1.1669 | 0.9252 | 0.7505 | 0.9350 | 1.1006 | 0.9055 | 0.8654 | 1.1261 | 1.2756 | 1.1468 | 1.2022 | 0.3322 | 1.0064 | 1.0342 | 0.7301 | 0.6983 | 1.1321 | 0.9872 | 1.4273 | 0.6793 | 0.4279 | 0.5531 | 0.3329 | 0.9810 | 0.7201 | 1.3534 | 0.8754 | 1.9936 | 1.1244 | 1.4470 | 0.3999 | 1.1419 | 1.2768 | 0.9029 | 1.1692 | 0.3537 | 0.3867 | 0.7758 | 1.5279 | 0.8509 | 0.7230 | 1.1683 | 1.0785 | 0.9270 | 0.8699 | 1.0692 | 0.9918 | 0.8996 | 1.3218 | 0.7448 | 1.0283 |
METHYL BETA-D-GALACTOSIDE (M+Na)+ | 0.5942 | 0.7208 | 0.2173 | 0.3586 | 0.3880 | 0.9748 | NA | 0.4767 | NA | 0.2083 | NA | NA | 2.1573 | NA | 1.0279 | NA | NA | 2.3612 | 2.4518 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 3.1998 | NA | 2.0513 | NA | NA | NA | 0.3899 | 2.4567 | 2.0728 | 0.2073 | 0.2414 | 0.2792 | 0.4810 | 0.3043 | 1.0731 | 0.0985 | 0.2166 | 1.5391 | 2.4550 |
METHYL JASMONATE (M+Na)+ | 1.0103 | 1.0562 | 1.0313 | 0.6326 | 0.9566 | 0.8905 | 1.1437 | 0.8116 | 0.7718 | 1.0556 | 1.0140 | 0.9649 | 1.0276 | 1.0089 | 0.5891 | 0.6884 | 1.0538 | 0.1807 | 0.1845 | 2.3847 | 1.3612 | 1.5886 | 1.1101 | 0.6499 | 1.0609 | 0.9601 | 1.2943 | 0.6966 | 1.1437 | 1.2097 | 0.7267 | 0.8076 | 0.1475 | 2.3790 | 0.3276 | 0.9070 | 1.0999 | 0.7996 | 0.8977 | 0.8458 | 1.4426 | 0.8226 | 0.7683 | 1.2430 | 1.0192 | 0.9119 | 1.2138 | 0.9147 | 0.9527 | 1.0173 | 1.1428 |
MYRISTOYLCARNITINE (*) (M+H)+ | 0.5534 | 0.7170 | 0.4449 | 0.4560 | 1.3453 | 0.5999 | 0.7493 | 0.7566 | 1.8338 | 0.9615 | 1.3353 | 1.1001 | 1.2257 | 1.4979 | 0.5728 | 0.8723 | 4.6069 | 0.4686 | 1.2729 | 0.3790 | 0.7630 | 1.4235 | 1.4096 | 0.5351 | 0.5783 | 0.6370 | 1.7294 | 2.5219 | 0.7357 | 2.2370 | 2.7754 | 1.3616 | 0.1472 | 1.5633 | 0.6102 | 1.1445 | 0.9989 | 0.4181 | 1.0070 | 1.3822 | 0.6153 | 1.6772 | 2.0413 | 0.7859 | 0.8273 | 1.1028 | 1.0157 | 0.8308 | 0.7537 | 0.7494 | 0.8238 |
N6,N6,N6-TRIMETHYL-L-LYSINE (M+H)+ | 0.5259 | 0.6489 | 0.8382 | 0.4719 | 0.9912 | 0.8736 | 0.6757 | 1.0560 | 2.1198 | 0.9556 | 1.1264 | NA | 0.6941 | 1.0089 | NA | NA | 0.5867 | NA | NA | 3.0785 | NA | NA | NA | 1.4023 | 0.7931 | 1.1336 | 1.5722 | 1.0001 | 0.8506 | 0.7931 | NA | NA | NA | 1.5807 | 1.1206 | NA | NA | 0.6921 | 0.9694 | 1.0152 | NA | 0.4716 | 0.8447 | 0.7873 | 1.7959 | 0.6339 | 0.8132 | NA | 0.7892 | 1.0232 | 1.2314 |
N-ACETYL-DL-METHIONINE (M+Na)+ | 1.3380 | 0.7848 | 1.1040 | 0.9167 | 0.8966 | 0.1364 | 0.6757 | 0.6670 | NA | 0.9044 | 1.1935 | NA | 0.6717 | 0.9943 | 0.8271 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 2.0399 | NA | 1.1470 | NA | NA | 1.5491 | NA | 1.7870 | NA | NA | NA | 0.9124 | 0.6187 | 1.4040 | 0.4834 | 1.0474 | 1.0779 | 1.1526 | 0.8909 | 1.1700 | 0.6599 | 1.0296 | 1.4966 | 0.9389 | 1.8170 |
N-ACETYL-DL-SERINE (M+H)+[-H2O] | 0.9809 | 0.8616 | 0.9470 | 1.0902 | 1.1309 | 0.4602 | 0.4935 | 0.7325 | NA | 1.0693 | 1.0541 | NA | 1.3624 | 1.1294 | 1.2329 | 1.0529 | NA | 0.7270 | 1.2285 | 1.3809 | 0.3977 | 0.5767 | NA | NA | NA | 1.0974 | 1.8985 | NA | 1.0735 | 1.1499 | 0.4731 | NA | 0.1979 | 0.9256 | 0.7769 | NA | NA | 1.2433 | 0.9890 | 0.9336 | 1.6707 | 0.6258 | 0.8004 | 1.1182 | 0.9357 | 0.8570 | 1.7024 | 1.0274 | 0.7935 | 1.1092 | 0.9200 |
N-ACETYLNEURAMINIC ACID (M+H)+ | 0.8281 | 0.7021 | 0.7901 | 0.5326 | 0.7481 | 0.8154 | 0.3717 | 0.5851 | NA | 0.7382 | 0.9473 | NA | 1.4235 | 2.0253 | 1.9322 | 2.9855 | NA | 0.5988 | NA | 0.3517 | 1.6940 | 2.1860 | NA | NA | NA | 0.3677 | 0.5601 | NA | 0.4855 | NA | 1.2160 | NA | NA | 2.4715 | 1.6387 | NA | NA | 0.7778 | 0.7953 | 1.1652 | 1.8027 | 0.7245 | 0.8705 | 0.8261 | 0.7972 | 0.7847 | 0.7413 | 0.8015 | 0.8004 | 1.5544 | 2.1833 |
N-CYCLOHEXYLFORMAMIDE (M+H)+ | 1.0542 | 0.9351 | 0.9643 | 0.9192 | 1.0569 | 0.8372 | 1.0536 | 1.1815 | 0.8148 | 0.9245 | 1.1129 | 1.0585 | 0.9543 | 1.0963 | 1.1578 | 1.0835 | 1.2496 | 0.8488 | 0.9118 | 0.9633 | 0.8810 | 0.8171 | 0.8773 | 0.8378 | 0.9866 | 0.8467 | 1.3585 | 1.0986 | 1.1101 | 0.8192 | 0.7694 | 1.7933 | 1.1389 | 0.9537 | 0.8696 | 1.4031 | 1.3451 | 1.0861 | 0.9473 | 1.0898 | 0.9813 | 1.1184 | 0.9933 | 0.9496 | 0.9062 | 0.9070 | 0.8665 | 0.9318 | 1.1319 | 0.8944 | 0.9870 |
OCTANOYLCARNITINE (*) (M+H)+ | 0.5575 | 0.7266 | 0.5682 | 0.6793 | 0.9518 | 0.6673 | 0.9215 | 1.3155 | 3.0711 | 0.7127 | 1.0050 | 2.1755 | 1.0621 | 1.4663 | 0.4570 | 0.6003 | 1.5124 | 0.4233 | 0.8925 | 0.1652 | 1.1095 | 0.8817 | 1.5897 | 0.7947 | 0.4174 | 0.3802 | 2.0125 | 1.8626 | 0.7099 | 1.3301 | 2.3611 | 2.5105 | 0.1870 | 2.3318 | 1.1336 | 1.0279 | 1.5775 | 0.1942 | 0.4519 | 1.1967 | 0.8237 | 1.9842 | 1.4512 | 0.8250 | 0.8658 | 1.3598 | 1.3791 | 0.8589 | 0.7884 | 0.7016 | 0.8113 |
OCTENOYLCARNITINE (*) M+ | 0.1527 | 0.2844 | 0.0937 | 0.0328 | 0.0661 | 0.0780 | 0.1011 | 0.1813 | 0.5032 | 0.6549 | 0.8604 | 3.5953 | 2.0234 | 1.7165 | 1.6497 | 0.7319 | 3.2529 | 0.3964 | 0.6370 | 1.3087 | 6.1218 | 3.7601 | 1.9042 | 1.8879 | 1.5914 | 5.5148 | 2.7556 | 2.7884 | 2.0005 | 2.9448 | 9.2248 | 2.3735 | 0.2452 | 4.5171 | 1.0047 | 10.3934 | 2.3265 | 0.0151 | 0.0900 | 2.2824 | 1.1489 | 0.1605 | 0.1031 | 0.0945 | 0.0727 | 0.2584 | 0.1838 | 0.1902 | 0.2302 | 1.5927 | 1.5872 |
OLEAMIDE (M+H)+ | 0.2060 | 0.3006 | 0.1809 | 0.1777 | 1.2877 | 0.6195 | 0.6159 | 1.8824 | 0.2686 | 0.2201 | 0.3199 | 5.5995 | 2.5119 | 1.0811 | 0.2468 | 0.0851 | 0.1339 | 0.0633 | 0.0864 | 1.7742 | 0.0707 | 0.1606 | 2.5400 | 0.5541 | NA | 2.4146 | 7.7027 | 0.7740 | 0.6866 | 4.2500 | 1.1727 | 0.3928 | 0.1863 | 2.6210 | 1.6477 | 0.5163 | 0.2804 | 0.1277 | 0.2039 | 2.2317 | 0.9119 | 0.3045 | 0.1050 | 0.2543 | 0.1640 | 0.8676 | 0.6380 | 0.1432 | 0.1746 | 1.7784 | 3.2120 |
OLEAMIDE (M+Na)+ | 0.2983 | 0.2806 | 0.1300 | 0.1401 | 0.9401 | 0.6073 | 0.5357 | 2.0933 | 0.1953 | 0.1836 | 0.3054 | 7.0505 | 2.0797 | 1.6977 | 0.2001 | 0.0576 | NA | 0.0216 | 0.0363 | 0.9139 | 0.0830 | 0.1098 | 4.7902 | 0.3926 | NA | 1.1757 | 7.5050 | 0.4938 | 0.6192 | 2.4846 | 0.9719 | 0.2488 | NA | 2.3102 | 1.3132 | 0.6461 | 0.3927 | 0.2218 | 0.1737 | 2.1026 | 0.7595 | 0.2480 | 0.0527 | 0.1978 | 0.1449 | 0.6469 | 0.3903 | 0.1332 | 0.3258 | 1.5411 | 2.5748 |
OLEIC ACID (M+H)+ | 1.0739 | 0.9995 | 1.0454 | 0.9912 | 0.9671 | 0.6955 | 0.9318 | 1.2062 | NA | 1.0692 | 1.1772 | NA | 0.9041 | 1.1632 | 1.5690 | 0.7243 | NA | 1.0272 | 1.1642 | 0.6042 | 0.7264 | 0.5499 | NA | NA | NA | 0.8054 | 0.8804 | NA | 1.2180 | 1.0315 | 0.3238 | 0.9374 | 1.8197 | 1.1389 | 0.9696 | NA | NA | 1.0266 | 1.0440 | 0.9881 | 0.8918 | 1.1193 | 0.7202 | 1.0479 | 1.0318 | 0.9297 | 0.7739 | 0.9973 | 1.0321 | 0.9636 | 0.9279 |
OLEIC ACID (M+Na)+ | 0.6475 | 0.9997 | 1.5021 | 0.7255 | 1.5079 | 0.6380 | 1.3210 | 1.2408 | 0.3740 | 0.9315 | 0.9357 | 0.3800 | 0.7708 | 0.8098 | 1.1549 | 0.4623 | 1.1765 | NA | NA | NA | NA | 0.1165 | 0.8623 | 1.1721 | 2.1001 | NA | 1.3358 | NA | 1.5439 | NA | NA | 1.0982 | NA | 1.5315 | 0.3118 | 0.6416 | 0.5391 | 0.5124 | 1.3065 | 1.0836 | 0.6983 | 0.8447 | 0.6451 | 1.2550 | 1.1850 | 1.0955 | 0.4298 | 0.7715 | 1.5345 | 0.8082 | 0.7036 |
OLEOYLCARNITINE (*) (M+H)+ | 0.3674 | 0.4993 | 0.7550 | 0.6059 | 1.2232 | 0.4956 | 0.7631 | 0.7860 | 2.0103 | 0.8821 | 1.4730 | 0.6634 | 0.9774 | 1.2987 | 0.6255 | 0.8656 | 4.5318 | 0.1622 | 1.0745 | 0.5620 | 0.3254 | 0.8657 | 1.3925 | 0.5435 | 0.2422 | 1.1000 | 1.4174 | 2.2913 | 0.9073 | 3.2877 | 2.1651 | 1.6824 | 0.0502 | 1.4709 | 0.5925 | 1.0598 | 0.9003 | 0.5474 | 0.5438 | 1.2955 | 0.5454 | 2.0075 | 2.3450 | 0.8053 | 1.0606 | 1.2431 | 1.4547 | 0.8255 | 0.8661 | 0.8447 | 0.7535 |
OLEOYL-GLYCEROL (M+Na)+ | 0.6222 | 0.6427 | 1.4803 | 0.8652 | 1.0245 | 1.0302 | 1.5672 | 0.9924 | 2.0431 | 1.9906 | 1.4025 | 0.4460 | 0.6891 | 0.9279 | 0.5571 | 1.2435 | 1.3150 | 0.2896 | 0.7811 | 0.2771 | 0.2615 | 0.5549 | 0.9684 | 1.1093 | 0.6162 | 0.2959 | 0.7705 | 0.8294 | 0.6679 | 0.8913 | 1.3962 | 1.6736 | 0.0656 | 1.2546 | 0.6824 | 2.1808 | 0.5221 | 1.2744 | 1.1769 | 0.6485 | 0.7778 | 1.1912 | 0.9189 | 1.0138 | 1.5175 | 1.0334 | 0.9456 | 0.8145 | 0.8859 | 0.5184 | 0.5905 |
ORNITHINE (M+H)+ | 1.0716 | 1.0910 | 0.7972 | 1.0117 | 1.1499 | 1.0968 | 1.0028 | 1.0000 | 1.3135 | 1.0712 | 1.1452 | 0.2165 | 1.0097 | 1.3905 | 0.8847 | 0.7535 | 1.8205 | 2.1011 | 1.3919 | 1.1906 | 0.3985 | 0.5856 | 0.2670 | 1.1933 | 0.8538 | 2.2354 | 0.8371 | 1.4959 | 1.3340 | 1.2603 | 0.5428 | 0.6434 | 1.3913 | 0.8719 | 1.3360 | 0.5477 | 0.3529 | 0.9278 | 1.1638 | 1.0661 | 0.7995 | 0.8593 | 0.9863 | 0.6302 | 0.5938 | 0.8524 | 0.9772 | 1.0502 | 1.5939 | 0.8469 | 1.1698 |
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+H)+ | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.2503 | NA | NA | 0.1106 | NA | 0.1509 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.3447 | 0.0371 | NA | NA | NA | 0.0178 | NA | 0.2313 | 3.5149 | 0.0803 | 0.2903 | NA | NA | 0.9821 | 0.4789 | NA | NA | NA | 1.0058 | 5.4615 | 3.5825 | NA | 0.3187 | 0.8049 | 0.1095 |
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+Na)+ | NA | NA | NA | NA | NA | NA | NA | NA | 0.0064 | 0.1937 | NA | NA | 0.5126 | NA | 0.1261 | 0.0075 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.9348 | 0.0193 | NA | NA | NA | 0.0176 | NA | 0.7050 | 3.8140 | 0.1574 | 0.5965 | NA | NA | 2.1253 | 0.5719 | NA | NA | NA | 0.8246 | 2.4473 | 3.7894 | NA | 0.2669 | 0.7656 | 0.1115 |
PALMITOLEYLCARNITINE (*) M+ | 0.5190 | 0.4531 | 0.7118 | 0.4692 | 1.4952 | 0.4322 | 0.5615 | 1.1148 | 2.2198 | 1.0659 | 1.1862 | 0.5926 | 1.2325 | 0.7856 | 0.8637 | 0.6197 | 1.6115 | NA | NA | 0.2519 | NA | NA | 0.3522 | 0.4988 | 0.3357 | 0.5233 | 1.2386 | 0.5614 | 0.5530 | 2.2853 | NA | 1.3301 | NA | 1.4676 | 0.8812 | 0.8482 | 0.7909 | 0.4172 | 0.3719 | 1.5865 | 0.2807 | 1.6172 | 1.8187 | 1.0775 | 1.4498 | 1.2947 | 1.2020 | 0.7113 | 0.7427 | 1.0805 | 0.6155 |
PALMITOYLCARNITINE (M+H)+ | 0.5554 | 0.5717 | 0.7144 | 0.6730 | 1.6497 | 0.4619 | 0.8349 | 0.8186 | 2.3374 | 0.8432 | 1.3386 | 0.8817 | 1.0968 | 1.2817 | 0.5228 | 0.6068 | 3.7757 | 0.1834 | 0.8750 | 0.5109 | NA | 0.3451 | 0.6645 | 0.5805 | 0.2585 | 0.9759 | 1.3802 | 2.3479 | 0.8467 | 2.8897 | NA | 1.5725 | 0.0486 | 1.5540 | 0.6055 | 0.7016 | 0.7164 | 0.6065 | 0.6915 | 1.2829 | 0.4875 | 1.8091 | 1.9320 | 0.8135 | 0.9976 | 1.1819 | 1.4102 | 0.8847 | 0.8977 | 0.8395 | 0.6704 |
PANTOTHENIC ACID (M+H)+ | 0.9442 | 1.1126 | 0.8904 | 0.7849 | 0.8348 | 0.8127 | 0.9677 | 1.1444 | 1.4031 | 1.0920 | 1.0806 | 0.3189 | 0.7365 | 0.7135 | 0.7414 | 0.9741 | 0.7661 | 1.4231 | 0.8686 | 0.7212 | 0.9165 | 0.7528 | 0.4661 | 0.6996 | 1.0090 | 0.8037 | 1.2175 | 1.2766 | 1.2973 | 0.8488 | 0.5584 | 0.7459 | 0.4605 | 1.2774 | 1.0495 | 0.7414 | 1.6449 | 0.8877 | 1.0475 | 1.1056 | 1.0013 | 1.0252 | 1.1821 | 0.9376 | 1.2389 | 1.2100 | 0.9361 | 0.8129 | 1.1699 | 0.8767 | 1.0966 |
PANTOTHENIC ACID (M+Na)+ | 0.8528 | 1.1424 | 1.0048 | 0.9961 | 0.9539 | 0.8306 | 0.8975 | 1.1401 | 0.7288 | 1.0627 | 1.1389 | 0.8106 | 0.7222 | 0.7037 | 0.6948 | 0.7665 | 0.8379 | 1.4361 | 1.0599 | 1.1050 | 0.8379 | 0.7979 | 0.6305 | 0.8515 | 1.0225 | 0.8371 | 1.1819 | 1.1003 | 1.2751 | 1.9141 | 0.9377 | 0.7722 | 1.2635 | 0.8554 | 0.9492 | 0.5466 | 1.1845 | 0.8025 | 1.1206 | 1.0543 | 1.0418 | 0.8469 | 1.0754 | 0.8684 | 1.1896 | 1.2345 | 1.1443 | 0.8461 | 1.2171 | 0.9757 | 0.9823 |
PHENYLALANINE (M+H)+ | 0.6029 | 0.9341 | 1.1320 | 1.0743 | 0.8489 | 1.2551 | 0.8561 | 0.6562 | 0.8678 | 1.1168 | 1.2478 | 2.5072 | 0.9786 | 1.2510 | 0.2713 | 1.6375 | 0.8745 | 0.1942 | 0.4595 | 0.9235 | 4.3348 | 1.7447 | 1.7774 | 0.9272 | 0.9957 | 0.7294 | 1.0503 | 0.5937 | 0.6636 | 0.5382 | 3.1811 | 0.2706 | 0.5388 | 1.4106 | 0.2669 | 2.5498 | 2.5152 | 1.2714 | 0.9083 | 1.1455 | 0.9700 | 0.7131 | 0.9087 | 0.9250 | 1.0256 | 0.8997 | 1.1683 | 0.8133 | 0.7750 | 1.1494 | 1.2795 |
PIPECOLIC ACID (M+H)+ | 0.8713 | 1.0728 | 0.5895 | 0.6349 | 1.1446 | 0.9185 | 0.9476 | 1.7287 | 0.6538 | 0.8067 | 0.9684 | 0.2643 | 0.2825 | 0.3589 | 0.6378 | 1.5120 | 0.4739 | 0.9838 | 0.9127 | 0.2653 | 0.6353 | 0.8057 | 0.3449 | 0.9116 | 0.4341 | 0.3626 | 0.4048 | 0.4611 | 0.5180 | 0.8513 | 0.1472 | 0.2794 | 0.5050 | 0.3149 | 0.4130 | 1.9227 | 0.4397 | 0.7701 | 0.5856 | 0.7154 | 0.3922 | 2.4158 | 3.6924 | 1.2330 | 1.3154 | 1.1175 | 0.9330 | 0.9917 | 2.2934 | 0.3466 | 0.5488 |
PROLINE (M+H)+ | 1.5803 | 0.6646 | 1.4970 | 0.4754 | 1.2217 | 1.2473 | 0.9724 | 0.5114 | 0.9451 | 1.3115 | 0.7670 | 0.4193 | 0.8552 | 0.5550 | 1.6098 | 0.3569 | 1.5636 | NA | NA | NA | NA | 1.9190 | 0.2421 | 2.0431 | 1.3925 | NA | 1.2407 | 1.5463 | NA | NA | NA | NA | NA | 0.9607 | 0.8936 | 0.7130 | 0.4138 | 0.6557 | 1.1518 | 1.6805 | 0.6044 | 0.7679 | 0.5497 | 1.6423 | 0.7413 | 1.1834 | 0.5124 | 1.0073 | 1.5572 | 1.0495 | 1.1633 |
PROLINE (M+Na)+ | 1.3254 | 1.3307 | 1.0219 | NA | 0.5817 | 0.3980 | 1.4008 | 0.3207 | NA | 3.7050 | 2.2517 | NA | 0.4367 | NA | 0.6047 | 0.0665 | 0.4717 | NA | NA | NA | NA | 0.5391 | NA | 0.8029 | 0.4664 | NA | 0.5692 | NA | NA | NA | NA | NA | NA | 0.4524 | 0.5372 | NA | NA | 0.1925 | 1.0378 | 0.7582 | NA | 0.8667 | 0.3550 | 1.1750 | 0.7840 | 0.7334 | 0.3102 | 1.5036 | 1.2580 | 0.7721 | 0.5331 |
PROPIONYLCARNITINE (*) (M+H)+ | 1.0522 | 0.9639 | 0.8952 | 0.6925 | 0.9462 | 0.8942 | 1.3412 | 0.7793 | 1.2252 | 1.1394 | 1.2446 | 2.3709 | 0.9206 | 1.0779 | 0.7268 | 0.7367 | 0.5802 | 0.8083 | 0.4827 | 0.2659 | 1.0191 | 0.8915 | 0.7112 | 0.7364 | 0.8130 | 0.7270 | 1.0618 | 0.8116 | 0.8667 | 0.4957 | 1.1717 | 1.5034 | 2.6434 | 1.6295 | 1.0802 | 0.4462 | 1.0508 | 0.7404 | 1.5083 | 0.9509 | 1.0818 | 0.9145 | 0.8238 | 0.6503 | 0.8383 | 0.9100 | 1.0491 | 1.1021 | 1.1950 | 0.8165 | 1.2171 |
PYRIDOXAL (M+H)+[-H2O] | 1.1672 | 0.9252 | 0.7502 | 0.9352 | 1.1007 | 0.9058 | 0.8722 | 1.1250 | 1.2770 | 1.1472 | 1.2015 | 0.3323 | 1.0061 | 1.0344 | 0.7294 | 0.6979 | 1.1339 | 0.9874 | 1.4279 | 0.6796 | 0.4323 | 0.5529 | 0.3331 | 0.9821 | 0.7208 | 1.3532 | 0.8761 | 1.9939 | 1.1246 | 1.4483 | 0.4001 | 1.1423 | 1.2772 | 0.9039 | 1.1688 | 0.3618 | 0.3868 | 0.7679 | 1.5310 | 0.8503 | 0.7217 | 1.1682 | 1.0774 | 0.9272 | 0.8668 | 1.0693 | 0.9913 | 0.8993 | 1.3221 | 0.7455 | 1.0282 |
PYRIDOXAMINE (M+H)+ | 0.8496 | 0.7963 | 0.6620 | 0.8758 | 1.0169 | 0.8761 | 1.0111 | 0.9132 | 1.8232 | 0.9861 | 1.3163 | NA | 1.0373 | 1.2855 | 0.8262 | 1.2117 | 1.3111 | 1.7318 | 1.0545 | 0.7607 | 0.3226 | 0.6070 | NA | NA | 0.8554 | 1.6210 | 1.2350 | 2.6690 | 0.9809 | NA | 0.5495 | 1.0477 | 1.5288 | 0.9231 | 1.4342 | NA | NA | 0.7042 | 1.2759 | 0.9572 | 1.2465 | 1.1459 | 1.1568 | 0.6439 | 0.7746 | 1.0929 | 1.0029 | 0.8962 | 1.0187 | 0.9581 | 1.3510 |
SEROTONIN (M+H)+ | 0.3955 | 0.6139 | 0.1996 | 0.0725 | 1.3081 | 1.5717 | 1.1063 | 1.3340 | 3.5323 | 0.9832 | 0.8777 | NA | 0.2000 | 0.7997 | 0.6547 | 1.1647 | NA | 0.9815 | 0.6938 | 1.4158 | 0.3574 | 0.7959 | 0.9703 | 0.6574 | 1.6488 | 0.2039 | 0.5100 | NA | NA | 1.1860 | NA | NA | NA | 0.8593 | 0.6650 | NA | 0.3399 | 0.2488 | 0.7442 | 1.1213 | 0.9824 | NA | NA | 0.5870 | 0.4380 | 0.3212 | 1.1020 | NA | 0.9929 | 1.2178 | 1.0915 |
SEROTONIN (M+Na)+ | 0.0610 | 0.1829 | 0.4186 | NA | 1.3355 | 1.6644 | 0.8725 | 1.2342 | 2.1195 | 1.0012 | 0.9872 | NA | 0.3187 | 0.7438 | 0.5570 | 1.4836 | NA | 1.0757 | 0.9062 | 1.0268 | 0.6939 | 1.2429 | 2.0811 | 0.5384 | 1.0144 | 0.1793 | 0.6484 | NA | NA | 1.0886 | NA | NA | NA | 1.3263 | 0.6893 | NA | 0.8672 | 0.2451 | 0.6059 | 1.1080 | 1.1327 | 0.0288 | NA | 0.4844 | 0.4633 | 0.1759 | 1.2773 | NA | 1.1487 | 1.2561 | 1.1030 |
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+ | 1.4139 | 0.7684 | 1.2907 | 1.7031 | 0.9507 | 0.9915 | 0.2409 | 0.8250 | 0.0696 | 0.9024 | 1.1196 | 0.4186 | 0.8892 | 0.7288 | 1.7813 | 0.8976 | 0.4751 | 2.8534 | NA | 0.5605 | 0.3324 | 0.7044 | 0.0403 | 0.8731 | 1.3245 | 0.5711 | 0.8077 | 0.4674 | 0.7370 | 0.5755 | 0.3226 | 0.8172 | 1.0698 | 0.5870 | 1.1896 | 0.3738 | 0.2301 | 0.8877 | 0.9981 | 0.8462 | 1.1517 | 1.0471 | 1.1777 | 1.1313 | 1.2212 | 0.8105 | 0.9013 | 1.2985 | 1.0254 | 1.1334 | 1.0905 |
SPERMIDINE (M+H)+ | 0.9290 | 1.1049 | 0.6638 | 0.8773 | 0.8597 | 0.8193 | 1.0129 | 0.8796 | 0.6557 | 0.7995 | 1.2783 | 0.7356 | 0.8596 | 1.0276 | 1.1836 | 1.4985 | 1.1067 | 1.3049 | 0.8325 | 1.1867 | NA | 1.1994 | 0.4881 | 0.9802 | 0.4050 | 1.0912 | 0.8473 | 0.5840 | 1.4878 | 1.2127 | 1.0634 | 0.6243 | 0.7120 | 1.1782 | 0.6511 | 0.7852 | 0.7798 | 0.9557 | 1.5596 | 0.8694 | 1.1069 | 0.8708 | 1.3832 | 1.0616 | 1.5096 | 0.6404 | 0.9299 | 0.7514 | 1.0883 | 0.9760 | 0.9478 |
SPHINGANINE (M+H)+ | 1.3548 | 0.7308 | 0.9948 | 0.7200 | 1.3781 | 0.7144 | 1.7895 | 0.8328 | 1.2175 | 1.0305 | 0.9270 | 0.6591 | 1.3245 | 1.4276 | 0.7865 | 0.6984 | 1.8148 | 0.3612 | 0.6015 | 1.0210 | NA | 0.2559 | 0.7017 | 1.0283 | NA | 1.3060 | 1.2499 | 0.9751 | 1.4188 | 3.5598 | NA | 1.2548 | 0.1387 | 1.5016 | 0.5777 | 1.1095 | 0.4863 | 0.7596 | 0.8145 | 1.0824 | 0.8457 | 1.1605 | 0.7530 | 0.8449 | 0.7544 | 0.8777 | 1.4050 | 0.8989 | 1.0504 | 0.8065 | 0.8585 |
SPHINGOSINE (M+H)+ | 1.9440 | 0.7513 | 0.6551 | 0.6068 | 1.5318 | 0.6531 | 1.0495 | 0.7516 | 1.0972 | 1.0264 | 0.9059 | 0.7929 | 1.4479 | 1.7915 | 1.2871 | 0.7719 | 2.1500 | 0.4243 | 0.8047 | 0.9840 | NA | NA | 1.5167 | 1.0514 | 0.4815 | 1.9715 | 1.3715 | 1.1360 | 1.6223 | 2.1910 | NA | 1.3068 | 0.2544 | 1.4430 | 0.7993 | 2.1851 | 0.5851 | 0.7622 | 0.9192 | 1.0108 | 0.6796 | 0.9391 | 0.7627 | 0.7109 | 0.5707 | 0.7874 | 1.3039 | 0.6960 | 1.2578 | 1.0517 | 0.8919 |
SPHINGOSINE (M+H)+[-H2O] | 0.5056 | 0.2496 | 0.5218 | 1.2769 | 1.1246 | NA | 1.0765 | 0.7639 | NA | 0.2486 | 0.7851 | NA | 2.1079 | 0.6852 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.2823 | 1.5852 | NA | 0.8467 | 1.6790 | NA | NA | NA | NA | NA | NA | NA | 0.6884 | 1.8018 | 0.8393 | NA | 0.8461 | 0.5411 | 0.7749 | 0.6161 | 0.6787 | 1.1750 | 0.9197 | 0.9282 | 0.9377 | 1.4710 |
STEAROYLCARNITINE (*) (M+H)+ | 0.4174 | 0.4877 | 0.6591 | 0.6317 | 1.1990 | 0.4769 | 0.9176 | 0.7245 | 2.1978 | 0.9096 | 1.8032 | 1.3491 | 1.0688 | 1.6914 | 0.6804 | 0.5990 | 2.6908 | 0.2208 | 0.6495 | 0.9304 | 0.5372 | 1.1503 | 0.8784 | 0.7291 | 0.2540 | 1.5653 | 1.3455 | 2.5660 | 0.7892 | 2.4860 | 2.6607 | 1.7120 | NA | 1.5494 | 0.7768 | 0.7177 | 0.9668 | 0.7077 | 0.9387 | 1.2118 | 0.6057 | 1.6184 | 1.7106 | 0.8050 | 0.7534 | 0.9277 | 1.3525 | 1.1714 | 0.8857 | 0.8583 | 1.0745 |
TETRADECADIENOYLCARNITINE (*) M+ | 0.6102 | 0.6529 | 0.3245 | 0.4410 | 1.1996 | 0.4952 | 0.3834 | 0.6272 | 0.5676 | 0.8380 | 0.6583 | 1.2262 | 1.6402 | 1.2226 | 0.2566 | 0.3508 | 5.9459 | 0.1303 | 0.6167 | 0.3577 | NA | 0.1275 | 2.6874 | 0.6860 | 0.4213 | 0.9491 | 3.4347 | 3.3819 | 1.1041 | 1.3136 | NA | 3.0428 | 0.1462 | 1.7081 | 0.6648 | 4.2461 | 2.5060 | 0.1475 | 0.1225 | 2.2230 | 0.7009 | 1.5237 | 1.9491 | 0.2560 | 0.5545 | 1.8536 | 1.0506 | 0.5522 | 0.5277 | 0.9330 | 0.8750 |
TETRADECENOYLCARNITINE (*) M+ | 0.5652 | 0.6120 | 0.3449 | 0.4947 | 1.1691 | 0.5118 | 0.6234 | 0.7393 | 1.2162 | 1.0036 | 1.0390 | 1.1105 | 1.4551 | 1.2169 | 0.2634 | 0.5395 | 5.1672 | 0.1305 | 0.5303 | 0.1926 | 0.9003 | 0.5518 | 2.4694 | 0.5576 | 0.3475 | 0.4657 | 1.9081 | 3.2580 | 0.5481 | 1.6022 | 4.5294 | 1.9226 | 0.0551 | 1.9635 | 0.5308 | 1.9890 | 1.3576 | 0.1622 | 0.2565 | 1.5785 | 0.7298 | 2.3833 | 2.7468 | 0.4725 | 0.9443 | 1.3674 | 0.9639 | 0.7672 | 0.7557 | 0.6842 | 0.7484 |
THEOBROMINE (M+H)+ | 0.9206 | 0.7510 | 0.4906 | 0.5365 | NA | NA | 0.1604 | NA | NA | 1.5453 | 1.0056 | 0.1637 | 0.5234 | 0.5741 | 1.6023 | 0.8455 | 0.4586 | 1.0537 | 0.6497 | 3.3662 | 0.3304 | 1.1488 | 1.2545 | 5.2651 | 1.6937 | 1.7573 | 2.0850 | 0.1320 | 2.9470 | 0.6076 | 0.4591 | 0.1290 | 3.4872 | 1.3940 | 1.8376 | 0.1300 | 0.3290 | 0.1265 | 0.1599 | 1.1493 | 1.8401 | 1.6381 | 0.2893 | 0.6434 | 0.4680 | 0.2220 | 0.5807 | 0.6340 | 0.8842 | 1.2155 | 0.9615 |
THEOPHYLLINE (M+H)+ | 1.1915 | 0.9146 | 0.6588 | 0.5812 | 0.0055 | 0.0036 | 0.0056 | 0.0040 | NA | 2.3179 | 1.5317 | NA | 0.5045 | 0.1905 | 1.4353 | 0.7959 | 0.2523 | 0.9659 | 0.6772 | 3.0269 | 0.4616 | 1.2545 | 1.3968 | 5.0393 | 1.5973 | 1.9339 | 2.7479 | 0.1940 | 1.0886 | 0.8063 | 0.7401 | NA | 3.1804 | 1.0884 | 1.2524 | 0.1791 | 0.3645 | 0.0288 | 0.0743 | 1.2593 | 1.6137 | 1.1367 | 0.1574 | 0.6947 | 0.4642 | 0.1970 | 0.4652 | 0.9270 | 1.0345 | 1.1199 | 1.0147 |
THEOPHYLLINE (M+Na)+ | 1.6609 | 0.9452 | 0.8541 | 0.5122 | 0.4737 | 0.3577 | 0.2633 | 0.4732 | NA | 2.7252 | 1.5565 | 0.1183 | 0.5974 | 0.2857 | 1.2708 | 0.6026 | 0.6720 | 0.6865 | 0.4676 | 1.6584 | NA | 0.6176 | 0.9289 | 4.2997 | 2.2211 | 0.6610 | 2.0006 | 0.3885 | 1.3758 | 0.5128 | NA | 0.0466 | 1.2103 | 1.4171 | 0.7040 | 0.8687 | 0.8972 | 0.6100 | 0.4380 | 1.3660 | 1.1477 | 1.1649 | 0.3250 | 0.6669 | 0.5674 | 0.5386 | 2.4886 | 0.8779 | 1.2879 | 1.1107 | 0.8722 |
THREONINE (M+H)+[-H2O] | 0.7875 | 0.5508 | 0.7422 | 0.1385 | 1.6127 | 0.8017 | 0.6847 | 1.5438 | 0.8347 | 0.6982 | 0.4294 | NA | 1.1510 | 1.1517 | 1.1282 | 0.7095 | 1.2909 | 0.5438 | 1.3269 | NA | NA | 2.1115 | NA | 0.9993 | 0.4026 | 1.3615 | 0.7356 | 1.9895 | 0.9080 | 2.4863 | NA | 1.9197 | 2.9646 | 0.8988 | 0.9888 | NA | NA | 0.2076 | 1.3154 | 1.1286 | 1.2513 | 1.0257 | 0.6530 | 0.5087 | 0.6642 | 0.8331 | 1.5878 | 0.4787 | 0.8944 | 0.7680 | 1.0236 |
TRANS-3^-HYDROXYCOTININE (M+H)+ | NA | NA | 0.2458 | NA | 1.0582 | 1.0314 | 0.9222 | 1.1437 | 2.0630 | 1.1487 | 1.7923 | NA | 0.0304 | 0.6023 | 0.6299 | 1.1729 | NA | 0.4741 | 1.7161 | 0.5240 | NA | 0.4981 | 0.4277 | 0.1011 | 1.0057 | 0.0852 | 0.1569 | NA | NA | 0.9937 | NA | NA | NA | 1.0348 | 0.9084 | NA | 0.2510 | 0.7316 | 0.5182 | 1.2256 | 1.6033 | NA | NA | 0.7278 | 0.2673 | 0.9008 | 2.4342 | NA | 0.8190 | 1.1754 | 1.3012 |
TRANS-CYCLOHEXANE-1,2-DIOL (M+Na)+ | NA | 0.6747 | 0.2393 | 0.5212 | 0.6519 | 0.6678 | 0.9634 | 0.6520 | NA | NA | 0.7594 | 11.2109 | 0.4032 | 0.4555 | 0.2655 | 0.6526 | NA | 0.2640 | NA | NA | NA | NA | 0.5588 | NA | NA | NA | 0.8010 | NA | 0.2927 | NA | NA | NA | 1.3451 | 0.4723 | NA | 0.7857 | 0.9562 | 0.3509 | 1.1457 | 0.5280 | 2.1066 | 0.8252 | 1.0297 | NA | 0.5179 | 0.7566 | 0.6438 | 0.4158 | 1.8156 | 3.9752 | 0.6388 |
TRYPTOPHAN (M+H)+ | 1.1321 | 1.0608 | 0.8843 | 0.9910 | 0.9471 | 0.8390 | 0.9045 | 1.0285 | 1.3457 | 1.0349 | 1.0223 | 0.6604 | 1.0476 | 1.1257 | 0.8458 | 0.8376 | 1.1937 | 1.3858 | 0.9724 | 1.0493 | 0.7793 | 0.7335 | 0.5520 | 1.1710 | 1.3278 | 1.3205 | 1.1879 | 1.5233 | 1.3120 | 1.2604 | 0.7035 | 1.0947 | 1.3504 | 0.9363 | 0.9936 | 0.6254 | 0.6730 | 0.9644 | 1.2316 | 1.0957 | 0.8329 | 1.0404 | 0.9926 | 0.9122 | 0.8409 | 0.9760 | 0.8462 | 0.9563 | 1.2003 | 0.8944 | 1.0839 |
TRYPTOPHAN (M+Na)+ | 0.9237 | 1.2110 | 0.7112 | 1.1086 | 0.7869 | 1.3541 | 0.9753 | 0.9247 | 0.7583 | 0.9907 | 1.1577 | 1.7331 | 1.0011 | 0.9417 | 0.6516 | 1.2068 | 0.7458 | 0.8518 | 0.6556 | 0.6839 | 2.0245 | 1.5865 | 1.6672 | 0.7188 | 0.7538 | 0.6892 | 1.0289 | 0.6945 | 0.7261 | 0.7623 | 1.8313 | 0.5911 | 0.7338 | 1.0110 | 0.6599 | 1.6398 | 1.7211 | 1.2592 | 1.1723 | 0.9200 | 1.0789 | 1.0536 | 1.0178 | 0.7912 | 0.9926 | 0.8206 | 1.0341 | 1.0361 | 0.9549 | 0.9340 | 1.1057 |
TYROSINE (M+H)+ | 0.8592 | 0.8521 | 0.9496 | 0.9013 | 1.1653 | 0.7538 | 0.7699 | 1.0659 | 1.2698 | 1.2843 | 1.2066 | 0.4074 | 1.0340 | 1.0045 | 0.9372 | 0.6335 | 0.9505 | 0.9473 | 0.8577 | 0.9350 | 0.3866 | 0.5291 | 0.4394 | 1.3187 | 0.7007 | 1.1906 | 1.0210 | 1.7506 | 1.0278 | 1.3820 | 0.4321 | 0.9345 | 1.5540 | 0.9593 | 1.1136 | 0.6311 | 0.4043 | 1.0540 | 1.7931 | 0.8994 | 0.6948 | 1.0427 | 0.9008 | 0.8062 | 0.8311 | 0.9432 | 0.9688 | 0.8397 | 1.2348 | 0.8749 | 0.9813 |
TYROSINE (M+Na)+ | 0.6298 | 1.0306 | 0.7622 | 0.9805 | 0.9768 | 1.2322 | 1.0191 | 0.9526 | 0.6699 | 1.3495 | 1.0902 | 1.0821 | 1.0134 | 0.8282 | 0.6229 | 0.8268 | 0.7277 | 0.6314 | 0.2812 | 0.6288 | 1.0722 | 0.8406 | 1.4889 | 0.5682 | 0.5643 | 0.4610 | 0.8051 | 1.1051 | 0.5719 | 1.2107 | 1.3693 | 0.8328 | 0.8274 | 1.0439 | 1.1602 | 2.5140 | 1.2727 | 1.2944 | 1.6888 | 0.9137 | 0.9507 | 1.0987 | 1.0022 | 0.9515 | 0.9327 | 0.9442 | 0.9767 | 0.8672 | 0.8297 | 0.7781 | 1.0355 |
URIC ACID (M+H)+ | 0.9331 | 1.1938 | 0.9831 | 1.2760 | 0.8642 | 0.8826 | 0.7949 | 1.0643 | 1.0645 | 0.9569 | 1.2388 | NA | 0.9665 | 0.9904 | 1.0228 | 0.9541 | 1.0894 | 0.8946 | 1.2255 | 1.2292 | 0.5515 | 0.8229 | NA | 2.0085 | 1.2588 | 0.9742 | 1.0029 | 1.0553 | 0.9577 | 1.1240 | 0.7951 | 0.4906 | 1.4888 | 1.0689 | 1.2235 | NA | NA | 0.6934 | 1.0671 | 0.9033 | 1.2819 | 0.8564 | 1.0349 | 1.0478 | 1.2046 | 0.9816 | 1.0703 | 0.6328 | 0.9233 | 1.0387 | 1.0507 |
URIDINE (M+Na)+ | 0.9673 | 1.0222 | 0.6979 | 0.7747 | 1.2504 | 0.7388 | 0.8135 | 1.0606 | 1.1071 | 0.7730 | 0.9340 | NA | 1.0342 | 0.8848 | 0.9081 | 0.8349 | 1.6346 | 0.9815 | 1.0001 | NA | 0.4379 | 0.4987 | NA | 0.6886 | 0.8265 | NA | 1.2343 | 0.6964 | 0.9866 | NA | 0.5211 | 1.1664 | 1.0782 | 0.8750 | 1.3907 | NA | NA | 1.1089 | 1.0697 | 0.9432 | 1.2146 | 1.0497 | 1.1486 | 1.2681 | 1.1617 | 1.5190 | 1.1263 | 0.8482 | 0.7635 | 1.0044 | 0.7989 |
URSODIOL (M+H)+[-H2O] | 0.2757 | 0.8692 | 4.0260 | 1.6779 | 0.1594 | 0.2294 | 0.0823 | 0.3088 | NA | 0.0155 | 0.9841 | NA | 0.1728 | NA | 0.2839 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.1596 | NA | 0.4476 | NA | NA | NA | NA | 0.3821 | NA | NA | NA | 0.4868 | 0.4650 | 0.4034 | NA | NA | NA | 0.1229 | 0.4078 | 0.3093 | 0.0307 | 2.5764 | 1.2623 | 0.3571 | NA |
VALINE (M+H)+ | 1.2049 | 1.1045 | 0.6789 | 0.6620 | 1.1478 | 0.6044 | 0.9473 | 1.1317 | 1.3545 | 1.2046 | 1.3040 | 0.3674 | 1.0615 | 1.1626 | 0.8532 | 0.7420 | 1.4563 | 1.6184 | 2.8301 | 1.3875 | 0.1905 | 0.4490 | 0.1266 | 1.2158 | 1.1220 | 1.6991 | 1.0676 | 1.9080 | 1.2711 | 1.5082 | 0.2442 | 0.9258 | 1.6653 | 0.8777 | 1.1946 | 0.4817 | 0.5054 | 0.7993 | 1.6398 | 0.9010 | 0.6834 | 0.8976 | 1.0017 | 0.8257 | 0.8259 | 0.9915 | 0.8149 | 0.9722 | 1.0084 | 0.8369 | 1.1507 |
VALINE (M+Na)+ | 1.0832 | 1.1420 | 0.6216 | 1.1102 | 1.1036 | 0.7006 | 0.9051 | 1.2614 | 0.3755 | 1.3199 | 1.6460 | 0.6406 | 0.9244 | 0.7231 | 1.0972 | 1.1285 | 1.0117 | 0.9733 | 1.7946 | 0.7786 | 0.3850 | 1.2336 | 0.7481 | 1.2518 | 1.0602 | 0.8673 | 0.8911 | 0.9756 | 0.7786 | 1.1287 | 0.6830 | 1.3286 | 1.0951 | 0.7607 | 1.1587 | 0.7922 | 0.5484 | 1.3484 | 1.4111 | 0.7896 | 0.9435 | 0.8375 | 0.9949 | 0.5928 | 0.7934 | 0.8931 | 0.7802 | 0.9585 | 0.9129 | 1.0839 | 1.1660 |
XANTHOSINE (M+H)+ | 0.6284 | 1.3781 | 2.4444 | 1.6178 | 0.7817 | 0.5475 | 0.8362 | 0.6480 | NA | 0.6937 | 1.8800 | NA | 0.7646 | 1.4717 | 1.2788 | NA | NA | NA | NA | NA | 0.8440 | 0.4612 | NA | NA | NA | NA | 0.9132 | NA | 1.5042 | NA | 0.6344 | 0.5426 | NA | 1.0512 | NA | NA | NA | 0.9428 | 1.0091 | 0.8629 | NA | 0.8953 | 0.9792 | 0.5943 | 1.3321 | 1.2646 | 0.4598 | 1.2529 | 0.6856 | 1.4540 | NA |
ZEATIN [ISTD] (M+H)+ | 0.9641 | 1.0386 | 1.0067 | 0.9178 | 0.9893 | 0.9937 | 1.0610 | 0.9180 | 1.0306 | 1.0092 | 1.0195 | 0.9634 | 0.9886 | 1.0021 | 0.7605 | 0.9070 | 1.0637 | 0.9294 | 0.9154 | 1.1866 | 1.1593 | 0.9758 | 1.1539 | 1.0391 | 1.0773 | 1.1955 | 1.2734 | 1.1476 | 1.1751 | 1.1772 | 1.1622 | 1.1057 | 0.9605 | 0.9735 | 0.7748 | 1.2197 | 1.2157 | 1.0378 | 1.0345 | 1.1196 | 0.7990 | 0.9800 | 0.8901 | 0.9673 | 1.0191 | 0.9883 | 1.0063 | 0.9711 | 1.0743 | 0.9964 | 1.0473 |
Factors:
F1 | Categorization:Amhara | Country:Ethiopia | Ethnicity:Amhara | Occupation:Agriculturalist | Sex:F |
F2 | Categorization:Amhara | Country:Ethiopia | Ethnicity:Amhara | Occupation:Agriculturalist | Sex:M |
F3 | Categorization:Dizi | Country:Ethiopia | Ethnicity:Dizi | Occupation:Agropastoralist | Sex:F |
F4 | Categorization:Dizi | Country:Ethiopia | Ethnicity:Dizi | Occupation:Agropastoralist | Sex:M |
F5 | Categorization:Hadza_settled | Country:Tanzania | Ethnicity:Hadza | Occupation:Hunter-Gatherer | Sex:F |
F6 | Categorization:Hadza_settled | Country:Tanzania | Ethnicity:Hadza | Occupation:Hunter-Gatherer | Sex:M |
F7 | Categorization:Hadza_traditional | Country:Tanzania | Ethnicity:Hadza | Occupation:Hunter-Gatherer | Sex:F |
F8 | Categorization:Hadza_traditional | Country:Tanzania | Ethnicity:Hadza | Occupation:Hunter-Gatherer | Sex:M |
F9 | Categorization:Hadza_traditional | Country:Tanzania | Ethnicity:Hadza | Occupation:Hunter-Gatherer | Sex:nan |
F10 | Categorization:Hamer | Country:Ethiopia | Ethnicity:Hamer | Occupation:Pastoralist | Sex:F |
F11 | Categorization:Hamer | Country:Ethiopia | Ethnicity:Hamer | Occupation:Pastoralist | Sex:M |
F12 | Categorization:Herero | Country:Botswana | Ethnicity:Herero/Na | Occupation:Pastoralist | Sex:F |
F13 | Categorization:Herero | Country:Botswana | Ethnicity:Herero | Occupation:Pastoralist | Sex:F |
F14 | Categorization:Herero | Country:Botswana | Ethnicity:Herero | Occupation:Pastoralist | Sex:M |
F15 | Categorization:Ju | Country:Botswana | Ethnicity:Ju|Hoan | Occupation:Hunter-Gatherer | Sex:F |
F16 | Categorization:Ju | Country:Botswana | Ethnicity:Ju|Hoan | Occupation:Hunter-Gatherer | Sex:M |
F17 | Categorization:Ju | Country:Botswana | Ethnicity:Ju|Hoan/!Xoo | Occupation:Hunter-Gatherer | Sex:F |
F18 | Categorization:Ju | Country:Botswana | Ethnicity:Ju|Hoan/!Xoo | Occupation:Hunter-Gatherer | Sex:M |
F19 | Categorization:Ju | Country:Botswana | Ethnicity:Kaukau/Ju|Hoan | Occupation:Hunter-Gatherer | Sex:M |
F20 | Categorization:Ju | Country:Botswana | Ethnicity:Kaukau/Naro | Occupation:Hunter-Gatherer | Sex:M |
F21 | Categorization:Ju | Country:Botswana | Ethnicity:Kaukau | Occupation:Hunter-Gatherer | Sex:F |
F22 | Categorization:Ju | Country:Botswana | Ethnicity:Kaukau | Occupation:Hunter-Gatherer | Sex:M |
F23 | Categorization:Ju | Country:Botswana | Ethnicity:Kaukau/Tsoa/Naro/Na | Occupation:Hunter-Gatherer | Sex:M |
F24 | Categorization:Ju | Country:Botswana | Ethnicity:Kaukau/Tsoa | Occupation:Hunter-Gatherer | Sex:M |
F25 | Categorization:Ju | Country:Botswana | Ethnicity:Kaukau/Tswana | Occupation:Hunter-Gatherer | Sex:F |
F26 | Categorization:Ju | Country:Botswana | Ethnicity:Naro/Kaukau/Nama/Na | Occupation:Hunter-Gatherer | Sex:M |
F27 | Categorization:Ju | Country:Botswana | Ethnicity:Naro/Kaukau | Occupation:Hunter-Gatherer | Sex:F |
F28 | Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Kgalagadi/Tswana | Occupation:Agropastoralist | Sex:F |
F29 | Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Mbukushu | Occupation:Agropastoralist | Sex:F |
F30 | Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Mbukushu | Occupation:Agropastoralist | Sex:M |
F31 | Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Tswana/Herero | Occupation:Agropastoralist | Sex:F |
F32 | Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Tswana/Na | Occupation:Agropastoralist | Sex:F |
F33 | Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Tswana/Na | Occupation:Agropastoralist | Sex:M |
F34 | Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Tswana | Occupation:Agropastoralist | Sex:F |
F35 | Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Tswana | Occupation:Agropastoralist | Sex:M |
F36 | Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Yeyi | Occupation:Agropastoralist | Sex:F |
F37 | Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Yeyi | Occupation:Agropastoralist | Sex:M |
F38 | Categorization:Mursi | Country:Ethiopia | Ethnicity:Mursi | Occupation:Pastoralist | Sex:F |
F39 | Categorization:Mursi | Country:Ethiopia | Ethnicity:Mursi | Occupation:Pastoralist | Sex:M |
F40 | Categorization:Naro | Country:Botswana | Ethnicity:Naro | Occupation:Hunter-Gatherer | Sex:F |
F41 | Categorization:Naro | Country:Botswana | Ethnicity:Naro | Occupation:Hunter-Gatherer | Sex:M |
F42 | Categorization:Qimant | Country:Ethiopia | Ethnicity:Qimant | Occupation:Agropastoralist | Sex:F |
F43 | Categorization:Qimant | Country:Ethiopia | Ethnicity:Qimant | Occupation:Agropastoralist | Sex:M |
F44 | Categorization:Sabue | Country:Ethiopia | Ethnicity:Sabue | Occupation:Hunter-Gatherer | Sex:F |
F45 | Categorization:Sabue | Country:Ethiopia | Ethnicity:Sabue | Occupation:Hunter-Gatherer | Sex:M |
F46 | Categorization:Sandawe | Country:Tanzania | Ethnicity:Sandawe | Occupation:Hunter-Gatherer | Sex:F |
F47 | Categorization:Sandawe | Country:Tanzania | Ethnicity:Sandawe | Occupation:Hunter-Gatherer | Sex:M |
F48 | Categorization:Weyto | Country:Ethiopia | Ethnicity:Weyto | Occupation:Hunter-Gatherer | Sex:F |
F49 | Categorization:Weyto | Country:Ethiopia | Ethnicity:Weyto | Occupation:Hunter-Gatherer | Sex:M |
F50 | Categorization:!Xoo | Country:Botswana | Ethnicity:!Xoo | Occupation:Hunter-Gatherer | Sex:F |
F51 | Categorization:!Xoo | Country:Botswana | Ethnicity:!Xoo | Occupation:Hunter-Gatherer | Sex:M |