Data for (Study ST000818)
(Analysis AN001296)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 LYSO PC (M+Cl)- | 1.0215 | 1.0801 | 0.6258 | 1.1522 | 1.0845 | 1.0988 | 1.0388 | 1.0667 | 0.1864 | 0.8028 | 1.0618 | 1.2913 | 0.9315 | 1.2102 | 0.9971 | 1.2570 | 0.2139 | 0.8488 | 1.0902 | 1.2974 | 0.3713 | 1.1815 | 1.5401 | 0.1482 | 0.2600 | 1.2623 | 0.9002 | 0.0888 | 1.1370 | 1.5019 | 1.7200 | 0.4208 | 1.0961 | 0.7816 | 0.9107 | 1.3649 | 1.5602 | 1.2640 | 1.0003 | 0.8332 | 1.1484 | 1.0841 | 1.0206 | 1.0228 | 1.0001 | 1.0149 | 1.1803 | 0.8478 | 1.1093 | 1.1391 | 0.8077 |
18:0 LYSO-PE (M-H)- | 1.1031 | 1.3655 | 1.5460 | 0.9825 | 0.9082 | 0.7721 | 1.1907 | 0.8783 | 1.6450 | 0.9614 | 0.8853 | 0.4946 | 0.8873 | 0.6156 | 1.0351 | 0.6561 | 0.6503 | 0.7882 | 0.5778 | 1.0126 | 0.3463 | 0.7534 | 0.3802 | 0.9219 | 0.2366 | 1.4855 | 0.9296 | 0.5974 | 1.4152 | 0.9429 | 1.2939 | 1.4267 | 0.1311 | 0.7665 | 0.4324 | 0.5411 | 0.5654 | 1.1128 | 0.7990 | 0.8606 | 0.7660 | 1.5949 | 1.0217 | 1.2814 | 0.9875 | 0.8245 | 1.0672 | 0.9588 | 1.2245 | 0.9838 | 1.0201 |
1-METHYLXANTHINE (M-H)- | 0.5972 | 0.7613 | 0.5076 | 0.5135 | NA | NA | NA | NA | NA | 1.5130 | 1.9561 | NA | 0.8033 | 0.1415 | 2.9637 | NA | 0.2835 | NA | NA | 3.6012 | 0.1107 | 0.9439 | NA | 2.0727 | 1.6998 | 1.3129 | 1.1610 | 0.1668 | 1.7350 | 2.3426 | 0.2106 | NA | NA | 1.1047 | 3.5579 | NA | NA | NA | NA | 0.9574 | NA | 2.4644 | 0.1914 | 0.2749 | 0.8168 | 0.1902 | 0.4339 | 0.6656 | 0.8086 | 1.0215 | 0.3920 |
24:0 SM (D18:1/24:0) (M+Cl)- | 0.8143 | 1.0878 | 1.0929 | 1.0708 | 1.0621 | 0.9303 | 0.8003 | 0.9231 | 1.3817 | 1.0505 | 0.8483 | 2.0387 | 1.0176 | 1.0367 | 0.8556 | 0.9390 | 0.8494 | NA | NA | 1.6699 | 0.6137 | 0.7893 | 1.0657 | 0.7156 | 2.1157 | 1.9884 | 1.0956 | 1.0842 | 1.3985 | 1.8754 | 0.7809 | 1.3857 | NA | 0.8697 | 0.5307 | 1.0865 | 0.7782 | 0.7668 | 0.7487 | 1.1860 | 0.6325 | 1.2060 | 0.8911 | 1.0922 | 0.9547 | 1.0805 | 1.2234 | 0.7135 | 1.0960 | 1.0936 | 1.0427 |
2-DEOXY-D-GLUCOSE (M+Cl)- | 0.5249 | 0.5669 | 0.6066 | 2.3915 | 0.3936 | 9.9155 | 0.3895 | 0.8524 | 0.0490 | 1.4172 | 0.3097 | 0.1998 | 0.6307 | 0.4163 | 0.7552 | 0.3827 | 0.2258 | 0.6897 | 0.2154 | NA | 0.0782 | 0.2955 | 10.3303 | 0.3881 | 0.2049 | 0.7987 | 0.3957 | 0.5486 | 0.9022 | 0.5091 | 0.0274 | 0.3035 | 4.6085 | 0.3843 | 2.3630 | 0.9048 | 0.3403 | 0.8436 | 0.4694 | 0.4838 | 0.6365 | 0.9744 | 0.7767 | 0.3867 | 0.5688 | 0.3994 | 0.5940 | 1.1792 | 1.3153 | 0.5364 | 0.6697 |
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- | 0.6752 | 0.8780 | 0.6370 | 0.9578 | 0.7726 | 0.8578 | 0.8734 | 1.5076 | 1.4700 | 0.8702 | 1.1286 | 0.3025 | 0.7475 | 0.8781 | 0.7971 | 0.5945 | 0.3340 | 0.9823 | 0.7788 | 4.3891 | 0.6333 | 1.3675 | 0.7156 | 0.5877 | 0.3453 | 0.6323 | 0.4236 | 0.5073 | 1.2071 | 2.3842 | 0.7396 | 1.0116 | 1.5497 | 0.4126 | 2.1682 | 1.0887 | 3.4772 | 1.1168 | 1.5504 | 0.8366 | 1.4911 | 0.6509 | 1.0485 | 1.3864 | 1.6143 | 0.4291 | 0.8444 | 0.7527 | 1.2740 | 0.9638 | 1.2485 |
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M-H)- | 1.0605 | 1.0314 | 1.0954 | 1.1759 | 0.6231 | 0.7812 | 0.7547 | 0.8693 | NA | 0.6836 | 0.9669 | NA | 1.0633 | 1.0030 | 0.7330 | 0.9716 | NA | NA | NA | 0.6752 | 0.6002 | 1.1402 | 0.8377 | NA | NA | 0.7696 | 0.5705 | NA | 0.7701 | NA | 1.0263 | 1.7936 | NA | 0.9073 | NA | NA | 1.0320 | 1.1547 | 2.0182 | 0.5053 | 1.2502 | 0.4734 | 0.4754 | 1.4013 | 1.8397 | 0.4434 | 0.8982 | 0.6302 | 1.4843 | 0.6897 | 0.9226 |
2-HYDROXYBUTYRIC ACID (M-H)- | 0.5060 | 0.6610 | 0.4487 | 0.6473 | 0.9962 | 0.8147 | 0.4809 | 0.9864 | 0.3591 | 0.8592 | 0.7192 | 1.2429 | 1.2189 | 1.4021 | 0.8652 | 1.6909 | 0.8594 | 2.2633 | 1.6894 | 0.5068 | 1.2401 | 1.2785 | 1.7662 | 0.2845 | 0.1535 | 0.2628 | 0.3897 | 0.8977 | 0.5326 | 1.0420 | 1.4682 | 0.7060 | 1.1876 | 1.1767 | 2.1042 | 1.1755 | 2.9821 | 1.3214 | 1.9784 | 0.9131 | 1.7144 | 1.1342 | 1.5659 | 1.1641 | 1.3496 | 0.7899 | 0.6879 | 0.7148 | 0.6352 | 0.6930 | 0.8777 |
2-METHYLMALEIC ACID (M-H)- | 1.2459 | 1.7429 | 3.9777 | 0.9476 | 0.4026 | NA | 0.7376 | 1.0417 | NA | 0.8210 | 0.5540 | NA | 1.2429 | 1.1980 | NA | NA | NA | NA | NA | 1.8688 | NA | NA | NA | NA | NA | 1.7017 | 0.8702 | NA | 1.3114 | 1.4138 | NA | NA | NA | NA | NA | NA | NA | NA | 0.6455 | 0.6467 | NA | 0.5040 | 0.7397 | 1.0377 | NA | 0.5045 | 0.5747 | 0.7657 | 1.4618 | 0.8151 | 1.0437 |
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)- | 0.7680 | 1.2307 | 0.9217 | 1.2980 | 0.8801 | 1.0250 | 0.6376 | 1.0877 | 0.6742 | 0.9646 | 1.2280 | 0.5285 | 0.8323 | 0.9597 | 0.7133 | 0.7950 | 0.3050 | 0.7270 | 1.4910 | 1.0517 | 0.7296 | 1.1672 | 0.9980 | 0.6943 | 0.2356 | 0.6852 | 0.6082 | 0.2933 | 0.9681 | 0.9352 | 1.1765 | 0.8081 | 2.7950 | 0.8325 | 0.8773 | 0.9106 | 1.2418 | 1.3959 | 1.8460 | 0.4845 | 1.1399 | 0.7845 | 0.9847 | 1.1088 | 1.3591 | 0.8381 | 1.3168 | 0.7173 | 1.2699 | 0.7322 | 0.8782 |
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- | 0.6949 | 0.5872 | 0.7037 | 1.0116 | 0.8875 | 1.0258 | 0.6503 | 0.7547 | 0.3025 | 1.2429 | 1.1034 | 0.4326 | 1.3528 | 1.4289 | 0.5478 | 0.7516 | 1.2564 | 0.4595 | 0.0994 | 0.9066 | 1.1977 | 1.0659 | 1.9889 | 0.5964 | 0.2146 | 0.4138 | 0.9964 | 0.2254 | 0.5771 | 1.0802 | 3.0098 | 0.7508 | 0.2445 | 1.5267 | 0.9373 | 1.6703 | 1.8516 | 1.4570 | 1.4648 | 0.7923 | 1.1643 | 1.4803 | 1.6481 | 0.7221 | 0.9595 | 0.7752 | 0.8660 | 0.6653 | 0.7847 | 1.1460 | 0.9024 |
3-METHYL-2-OXOPENTANOIC ACID (M-H)- | 0.9748 | 1.0544 | 0.7015 | 0.9842 | 0.8641 | 1.0053 | 0.6196 | 0.7789 | 0.8309 | 0.8431 | 1.1791 | 0.8016 | 0.9638 | 1.3362 | 0.7488 | 1.0423 | 1.4103 | 0.9776 | 1.0731 | 1.2274 | 1.1270 | 1.2610 | 0.9937 | 0.6702 | 0.6123 | 0.9392 | 0.8328 | 1.5539 | 0.8836 | 1.5640 | 1.1195 | 1.1324 | 0.8816 | 1.0018 | 1.1530 | 0.9837 | 2.2795 | 1.2226 | 1.4880 | 0.9118 | 1.1215 | 0.9913 | 1.2081 | 1.1712 | 1.2712 | 0.8086 | 0.9995 | 0.7455 | 0.9167 | 0.8133 | 1.3253 |
4-METHYL-2-OXOPENTANOIC ACID (M-H)- | 0.8440 | 0.9555 | 1.0886 | 1.3619 | 0.9177 | 1.1353 | 0.6910 | 1.0059 | 0.4823 | 0.8754 | 1.0854 | 0.6681 | 0.9396 | 1.2309 | 0.6704 | 1.0788 | 1.0478 | 1.0403 | 1.2139 | 1.2113 | 1.0602 | 1.1086 | 1.1154 | 0.4190 | 0.4410 | 0.6238 | 0.7260 | 1.1829 | 0.8263 | 1.3793 | 0.9835 | 0.8613 | 0.9643 | 0.8762 | 1.0443 | 0.8115 | 2.0278 | 1.1990 | 1.4126 | 0.8441 | 1.0444 | 1.0356 | 1.1876 | 1.1304 | 1.1467 | 0.8596 | 1.1676 | 0.7360 | 0.8344 | 0.7994 | 1.0750 |
4-PYRIDOXIC ACID (M-H)- | 1.1382 | 0.9528 | 1.2905 | 1.0292 | 0.7768 | 0.9414 | 0.6288 | 0.7499 | 1.2721 | 0.9895 | 1.0784 | 0.2665 | 0.6932 | 0.6939 | 1.5554 | 1.3918 | 0.5643 | 1.2413 | NA | 0.8942 | 0.3945 | 0.6584 | 0.5397 | 1.7121 | 1.1620 | 0.7247 | 0.8130 | 0.8739 | 0.9349 | 1.5701 | 1.0596 | 0.7793 | 0.9699 | 1.7785 | 0.7278 | 0.4899 | 0.8035 | 0.5504 | 0.7106 | 0.7736 | 1.0013 | 1.2547 | 1.5447 | 1.2588 | 1.1009 | 1.3892 | 1.4540 | 0.9807 | 0.9747 | 0.7706 | 0.7755 |
5-HYDROXYINDOLEACETIC ACID (M-H)- | 0.9602 | 0.7898 | 0.9534 | 0.8663 | 0.8984 | 1.1662 | 0.6576 | 0.7766 | NA | 1.1234 | 1.3411 | 0.5572 | 1.1970 | 0.9932 | 0.9350 | 1.1356 | NA | NA | NA | 0.8878 | 1.0212 | 1.1423 | 1.3766 | NA | NA | 0.8586 | 1.2463 | NA | 0.9344 | 0.6504 | 1.5434 | 1.1982 | NA | 1.4212 | 0.6942 | 1.7718 | 0.8035 | 0.8712 | 1.2656 | 0.8268 | 1.2824 | 0.8902 | 0.9317 | 0.8822 | 0.8044 | 1.0597 | 1.0419 | 0.8012 | 1.1058 | 1.0968 | 0.8021 |
ADIPIC ACID (M-H)- | 1.0105 | 0.9660 | 1.1240 | 1.1997 | 1.0881 | 0.9978 | 0.6820 | 0.6698 | 0.6405 | 0.8808 | 1.0167 | 0.8855 | 1.1099 | 0.9228 | 0.7114 | 0.8992 | 1.7921 | 0.5669 | 0.5661 | 0.6785 | 0.7046 | 0.8181 | 1.0103 | 0.7221 | 0.6812 | 0.8279 | 0.9665 | 0.7058 | 0.8329 | 1.5948 | 1.5979 | 1.0136 | 0.8033 | 1.0736 | 0.8143 | 0.9890 | 1.4331 | 0.9922 | 1.1691 | 1.0051 | 0.6662 | 1.1961 | 1.8481 | 0.8593 | 0.9295 | 1.1702 | 0.9702 | 1.0437 | 0.9863 | 0.7409 | 0.8233 |
ALPHA-HYDROXYISOBUTYRIC ACID (M-H)- | 0.5039 | 0.6507 | 0.4769 | 0.6710 | 0.9804 | 0.8219 | 0.4875 | 0.9745 | 0.3826 | 0.8639 | 0.7522 | 1.3218 | 1.2326 | 1.4398 | 0.8568 | 1.6673 | 0.9837 | 2.2400 | 1.6608 | 0.4954 | 1.2146 | 1.2531 | 1.7334 | 0.3062 | 0.1601 | 0.2653 | 0.3683 | 0.8322 | 0.5271 | 1.0327 | 1.4379 | 0.7058 | 1.1680 | 1.2381 | 1.8443 | 1.1477 | 2.9512 | 1.3010 | 1.9725 | 0.9376 | 1.7023 | 1.1256 | 1.5458 | 1.1652 | 1.3123 | 0.8354 | 0.7227 | 0.7039 | 0.6335 | 0.6914 | 0.8875 |
ARACHIDIC ACID (M-H)- | 0.6146 | 1.0111 | 0.6964 | 0.5876 | 1.3269 | 0.6632 | 0.6987 | 1.1306 | 0.1888 | 0.7493 | 1.0027 | NA | 0.8788 | 1.3892 | 0.6717 | 0.8570 | 0.4127 | 0.4812 | 1.5381 | 0.7779 | 0.3505 | 0.9258 | NA | 0.1536 | 0.1074 | 1.1187 | 1.3604 | 0.1321 | 1.1593 | 6.4959 | 0.5287 | 1.6992 | 0.1494 | 0.5323 | 0.5582 | NA | NA | 0.5739 | 0.7113 | 1.1022 | 0.6749 | 1.4856 | 2.0162 | 1.2530 | 1.1624 | 0.9772 | 2.2047 | 0.7866 | 1.1092 | 0.7309 | 0.7704 |
ARACHIDONATE #2 (M-H)- | 0.8701 | 0.7000 | 1.0434 | 0.5828 | 1.6440 | 0.4390 | 0.4745 | 1.0213 | 0.0708 | 0.6504 | 0.7872 | 0.2334 | 1.0071 | 1.9910 | 0.9253 | 0.4547 | 0.0128 | 0.0890 | 0.5644 | 0.5812 | 0.1341 | 0.5173 | 1.4134 | 0.6999 | 1.5049 | 1.4391 | 1.6816 | 0.4437 | 2.3130 | 6.5061 | 1.0328 | 3.3909 | 0.2502 | 0.9793 | 0.4286 | 1.4461 | 1.0665 | 0.4384 | 0.3945 | 1.2699 | 0.5009 | 2.2450 | 1.9095 | 1.2727 | 0.6171 | 1.2076 | 1.7507 | 0.4908 | 0.6330 | 1.0402 | 0.6587 |
ARACHIDONIC ACID (M-H)- | 0.7785 | 0.8146 | 0.9402 | 0.6287 | 1.7807 | 0.4581 | 0.4312 | 1.0154 | 0.3331 | 0.7984 | 0.7643 | 0.2113 | 1.0514 | 1.8217 | 0.8702 | 0.5396 | 0.2967 | 0.4549 | 1.6359 | 0.5284 | 0.1222 | 0.4814 | 1.2824 | 0.3998 | 0.7095 | 1.3128 | 1.5223 | 0.3406 | 2.0931 | 5.9385 | 0.9417 | 3.0604 | 0.1589 | 0.9410 | 0.5853 | 1.3116 | 0.9667 | 0.3964 | 0.3214 | 1.1822 | 0.6870 | 2.1918 | 1.7346 | 1.2648 | 0.8057 | 1.3536 | 1.6010 | 0.5791 | 0.6396 | 0.9392 | 0.6832 |
BEHENIC ACID (M-H)- | 0.7642 | 1.2016 | 0.6778 | 0.5464 | 1.0003 | 0.6392 | 0.5248 | 0.8229 | 0.2204 | 0.7434 | 0.9400 | NA | 0.9844 | 1.2434 | 0.9331 | 0.6582 | 0.3498 | 0.5064 | 1.3518 | 1.6043 | 0.3198 | 0.9461 | NA | 0.9918 | 0.2316 | 2.2801 | 1.8142 | 0.1453 | 1.0488 | 4.3536 | 0.4639 | 1.8208 | NA | 0.5347 | 0.5322 | NA | NA | 0.7005 | 1.0025 | 1.0845 | 0.4300 | 1.1574 | 1.2024 | 0.7606 | 0.6625 | 1.0352 | 3.4867 | 0.7059 | 1.8441 | 0.7325 | 1.4118 |
BENZOIC ACID (M-H)- | 1.3864 | 0.9823 | 0.9912 | 0.8335 | 1.1529 | 0.8306 | 0.7196 | 0.7650 | NA | 1.2979 | 1.2195 | NA | 0.8982 | 1.0714 | 1.0188 | NA | NA | NA | NA | 0.8849 | 0.6566 | 0.5347 | NA | NA | NA | 1.0687 | 0.7960 | NA | 1.2671 | 1.3150 | 1.4198 | 0.9848 | NA | 0.8064 | NA | NA | NA | 1.1179 | 1.1053 | 0.6347 | NA | 0.9401 | 1.1029 | 0.8680 | 1.0256 | 0.8324 | 0.9851 | 0.6549 | 1.6839 | 0.8797 | 0.8027 |
BILIVERDIN (M-H)- | 0.7303 | 1.5350 | 0.5992 | 0.5682 | 0.9180 | 0.7370 | 0.6566 | 0.9863 | NA | 0.9149 | 1.8097 | NA | 1.2061 | 1.4102 | 0.8047 | 0.7888 | NA | 0.3210 | 0.8126 | 1.6467 | 1.1257 | 1.1554 | NA | NA | NA | 0.7165 | 1.1188 | NA | 0.8823 | 1.3937 | 1.2199 | 1.8976 | NA | 0.9565 | 0.4852 | NA | NA | 0.9224 | 1.2275 | 1.1420 | 0.6686 | 1.0791 | 1.2132 | 0.5922 | 0.9225 | 1.0991 | 0.8957 | 0.6734 | 0.8525 | 1.1875 | 1.1560 |
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+Cl)- | 0.6354 | 1.0581 | 0.8440 | 0.8481 | 1.6126 | 0.6423 | 0.7900 | 0.8635 | 0.5491 | 1.2895 | 0.6404 | 0.3587 | 1.1078 | 1.3266 | 1.0690 | 1.3640 | 0.8394 | 2.3907 | 3.9809 | NA | 0.2070 | 0.6789 | 0.4993 | 0.1895 | 0.6228 | NA | 1.2107 | 0.2635 | NA | NA | 0.7686 | 1.1544 | 0.2654 | 0.7081 | 1.7279 | 0.4146 | 0.4681 | 0.7156 | 1.1630 | 0.8814 | 1.0462 | 1.4765 | 1.6383 | 0.8998 | 1.0384 | 1.1834 | 0.6021 | 0.8040 | 0.9100 | 0.7864 | 0.6320 |
CIS-11-EICOSENOIC ACID (M-H)- | 0.8140 | 1.4815 | 0.6782 | 0.2889 | 1.7779 | 0.1539 | 0.3219 | 0.9420 | 0.2539 | 0.4519 | 0.7274 | 0.0483 | 0.9305 | 1.4917 | 0.7456 | 0.7920 | 0.4836 | 0.3254 | 3.5963 | 0.1294 | 0.0151 | 0.1187 | 0.3234 | 0.0379 | 0.1008 | 0.5719 | 1.7174 | 0.1810 | 1.7805 | 8.4809 | 0.2287 | 3.4013 | 0.0324 | 0.8590 | 0.4221 | 0.1494 | 0.1571 | 0.1443 | 0.2254 | 1.2959 | 0.5625 | 2.7924 | 2.7874 | 1.0726 | 1.2412 | 1.1333 | 1.6483 | 0.4992 | 0.6595 | 0.9104 | 0.3447 |
CIS-VACCENIC ACID (M-H)- | 0.4303 | 0.6812 | 0.8865 | 0.4820 | 1.9603 | 0.2808 | 0.3498 | 1.0952 | 0.5981 | 0.8321 | 0.8521 | 0.1071 | 1.1088 | 1.8250 | 0.8764 | 0.8017 | 0.8491 | 0.6289 | 2.7001 | 0.1354 | 0.0226 | 0.1947 | 0.5798 | 0.0484 | 0.1448 | 0.7470 | 2.0389 | 0.3587 | 1.3430 | 5.7151 | 0.4095 | 3.3027 | 0.0478 | 0.9672 | 0.7720 | 0.5119 | 0.2443 | 0.2219 | 0.3247 | 1.3146 | 0.7416 | 2.1078 | 1.8033 | 1.3026 | 1.1347 | 1.5264 | 1.3383 | 0.6779 | 0.7643 | 0.8175 | 0.5282 |
CITRAMALIC ACID (M-H)- | 0.6685 | 0.4751 | 0.6461 | 0.7626 | 0.7475 | 1.1399 | 0.3608 | 0.9669 | 0.7634 | 3.5635 | 3.9187 | 0.1000 | 0.8573 | 0.5370 | 1.8011 | 1.0318 | 0.2754 | 0.5275 | 0.8955 | 1.5861 | 0.4112 | 0.6825 | 0.2305 | 0.9387 | 0.3323 | 0.4323 | 0.7689 | 0.5607 | 1.1481 | 0.8939 | 0.2822 | 0.4532 | NA | 0.9010 | 0.7634 | NA | 0.4224 | 0.4578 | 0.6650 | 0.6540 | 1.1722 | 0.5760 | 0.4742 | 1.1388 | 1.0461 | 0.5251 | 0.7935 | 0.5175 | 0.7174 | 1.0101 | 0.8616 |
CITRIC ACID (M-H)- | 1.2833 | 1.0395 | 0.7381 | 1.3783 | 0.8828 | 0.8915 | 0.6403 | 0.9641 | 0.2485 | 1.0380 | 0.6866 | 0.6425 | 1.1350 | 0.9522 | 1.4991 | 0.8480 | NA | 2.0268 | 1.2126 | NA | 0.3746 | 0.5230 | 0.4156 | 0.4557 | 0.6637 | 0.2829 | 0.6468 | 1.2576 | 0.8907 | 0.1314 | 0.8693 | NA | 1.8163 | 0.8287 | 1.8506 | 0.4390 | 0.4787 | 0.6310 | 1.0984 | 0.7600 | 1.3319 | 1.0538 | 1.1050 | 1.0709 | 0.9982 | 1.0943 | 1.0601 | 1.1932 | 1.1422 | 0.9140 | 0.8856 |
CITRULLINE (M-H)- | 1.1191 | 1.1779 | 0.8829 | 1.1496 | 0.7523 | 0.7658 | 1.1384 | 0.8417 | NA | 1.0168 | 1.3667 | 0.9385 | 1.0170 | 1.5398 | 0.3396 | 1.0007 | NA | 1.0283 | 0.8973 | NA | 0.8285 | 0.8917 | 0.4549 | NA | NA | NA | NA | NA | NA | NA | 1.2224 | NA | 1.0369 | 1.0068 | 0.9214 | 0.8807 | 0.8167 | 1.4907 | 1.3585 | 0.6816 | 1.0588 | 0.8646 | 0.9887 | 0.7158 | 0.7930 | 0.8934 | 1.3400 | 1.0537 | 1.6020 | 0.7917 | 1.0980 |
DEOXYADENOSINE (M+Cl)- | 0.5342 | 0.8262 | 0.5408 | 0.7621 | 1.0433 | 0.8373 | 0.5532 | 1.0137 | NA | 0.8137 | 0.8738 | 1.1768 | 0.9648 | 1.3949 | 0.7226 | 1.4588 | 0.4251 | 1.8427 | 2.0082 | 0.5606 | 1.5854 | 0.9677 | 2.2105 | 0.1710 | 0.0905 | 0.3146 | 0.7652 | 0.4328 | 0.6041 | 1.1834 | NA | 1.1255 | 1.2287 | 1.0979 | 1.8482 | 1.6228 | 2.4622 | 1.1743 | 1.7047 | 1.0826 | 1.4717 | 1.1385 | 1.1924 | 1.1357 | 1.2874 | 0.8683 | 0.8051 | 0.8121 | 0.7372 | 0.7615 | 0.9591 |
DEOXYCHOLIC ACID (M+Cl)- | 0.7000 | 0.8573 | 8.2041 | 2.8138 | 0.5687 | 0.8149 | 0.2721 | 0.5717 | 0.0585 | 0.4939 | 0.5096 | 0.0699 | 0.3514 | 0.2189 | 0.2800 | 0.3908 | 0.1336 | 0.0457 | NA | 0.4779 | 0.0798 | 0.1346 | NA | 0.1499 | NA | 0.0991 | 0.2519 | 0.0765 | 0.7700 | 0.3616 | 0.1492 | 0.4985 | 1.4469 | 0.4798 | 0.0801 | NA | 0.2855 | 1.2029 | 0.6550 | 0.4067 | 0.2235 | 0.3320 | 0.2511 | 0.5332 | 0.3127 | 0.4572 | 0.5259 | 1.0646 | 0.7206 | 0.7286 | 0.7792 |
DEOXYCHOLIC ACID (M-H)- | 0.7426 | 0.6546 | 4.8067 | 3.4477 | 1.0299 | 1.0418 | 0.4435 | 0.7331 | NA | 0.4807 | 0.7181 | 0.1920 | 0.4702 | 0.4241 | 0.5377 | 0.5415 | 0.1895 | NA | NA | 0.4874 | 0.0971 | 0.1613 | 0.0799 | 0.1324 | 0.1881 | 0.0743 | 0.4015 | 0.0886 | 1.0886 | 0.5806 | 0.3365 | 0.8679 | 0.2753 | 0.8382 | 0.1096 | 0.3886 | 0.4708 | 1.9605 | 0.8773 | 0.4946 | 0.3682 | 0.4715 | 0.3710 | 0.8908 | 0.4838 | 0.6896 | 0.9861 | 1.3678 | 0.5639 | 0.9340 | 1.2193 |
DEOXYURIDINE (M+Cl)- | 0.8272 | 0.8162 | 0.8463 | 0.9658 | 1.0480 | 1.0230 | 0.7710 | 0.9760 | 0.7382 | 1.0537 | 1.1331 | 0.8291 | 1.0270 | 1.3293 | 0.8947 | 0.8718 | 0.7515 | 0.8105 | 0.3570 | 0.9920 | 1.9097 | 1.2754 | 1.1774 | 0.5731 | 0.9046 | 0.8256 | 0.7082 | 2.5560 | 1.2527 | 0.7240 | 1.1911 | 1.3915 | 0.9249 | 1.1992 | 0.9781 | 0.8516 | 1.7641 | 1.2897 | 1.2082 | 0.8975 | 0.8319 | 1.0968 | 0.9216 | 0.7691 | 0.9484 | 0.9214 | 1.0111 | 1.0013 | 1.1119 | 1.0089 | 0.9806 |
DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M-H)- | 1.1504 | 1.7604 | 1.4040 | 0.9954 | 0.8696 | 0.7918 | 0.5660 | 0.8527 | 0.3318 | 1.0006 | 1.1273 | 0.9158 | 0.5754 | 0.5581 | 0.8114 | 1.3570 | 0.6135 | 0.6397 | 0.8669 | 0.9539 | 0.5616 | 0.8572 | 1.3284 | 0.4871 | 0.4402 | 0.8438 | 0.8626 | 0.2285 | 0.9549 | 0.6118 | 0.5951 | 0.4093 | 0.6512 | 0.4685 | 0.5816 | 0.5829 | 0.3728 | 2.8848 | 1.8418 | 0.7495 | 0.5754 | 0.7783 | 0.6927 | 1.1012 | 1.3204 | 0.5900 | 0.6794 | 0.7949 | 1.3995 | 1.1155 | 0.7461 |
DOCOSAHEXAENOIC ACID (M-H)- | 0.6395 | 0.7643 | 0.7317 | 0.4642 | 1.8408 | 0.4699 | 0.4381 | 1.0222 | 0.7177 | 0.6892 | 0.7370 | 0.1679 | 1.0665 | 1.8361 | 0.6490 | 0.4717 | 1.1599 | 0.2643 | 1.1077 | 0.2228 | 0.1203 | 0.4664 | 1.1378 | 0.2041 | 0.3889 | 0.8696 | 1.4948 | 0.6928 | 1.7158 | 5.9540 | 1.2667 | 2.4791 | 0.1133 | 1.3402 | 0.5974 | 1.6459 | 1.0610 | 0.2773 | 0.2954 | 1.0427 | 0.6042 | 1.7041 | 1.1065 | 2.0137 | 1.8655 | 1.3734 | 1.2006 | 1.0031 | 0.6783 | 0.8918 | 0.6551 |
EDTA (M-H)- | 1.0831 | 0.7550 | 0.8902 | 4.0063 | 1.0442 | NA | NA | 0.8755 | NA | 0.6899 | 0.3929 | NA | 1.0739 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.0717 | 1.1107 | NA | 1.2333 | 1.7588 | NA | NA | NA | NA | NA | NA | NA | NA | 0.3880 | 0.8877 | NA | 0.9729 | 0.0319 | 1.1291 | NA | 1.6043 | 1.1964 | 1.1165 | 0.9370 | 0.9122 | 0.4089 |
ELAIDIC ACID (M-H)- | 0.4292 | 0.6848 | 0.8852 | 0.4845 | 1.9601 | 0.2866 | 0.3526 | 1.0975 | 0.6461 | 0.8319 | 0.8735 | 0.1074 | 1.1032 | 1.8279 | 0.8796 | 0.8054 | 0.9484 | 0.6320 | 2.7119 | 0.1366 | 0.0228 | 0.1961 | 0.5840 | 0.0525 | 0.1546 | 0.7424 | 2.0554 | 0.3555 | 1.3447 | 5.7305 | 0.4132 | 3.3146 | 0.0479 | 0.9213 | 0.7818 | 0.5142 | 0.2452 | 0.2224 | 0.3277 | 1.3211 | 0.7448 | 2.1188 | 1.8046 | 1.3016 | 1.1131 | 1.5232 | 1.3473 | 0.6732 | 0.7692 | 0.8211 | 0.4807 |
EPIBRASSINOLIDE [ISTD] (M+Cl)- | 0.9926 | 1.0022 | 0.9999 | 1.0484 | 1.1090 | 0.8469 | 0.7745 | 1.0334 | 0.4557 | 0.9430 | 1.1179 | 1.0729 | 0.9288 | 1.2569 | 1.1527 | 0.8669 | 0.4215 | 0.6077 | 0.8468 | 1.1915 | 1.2043 | 1.0819 | 1.1442 | 0.3731 | 0.5376 | 1.2736 | 1.1552 | 0.4135 | 1.3880 | 1.5087 | 1.2868 | 1.8868 | 0.7315 | 1.0165 | 0.6873 | 1.0611 | 1.0612 | 1.1541 | 0.8931 | 0.9552 | 0.8280 | 1.1715 | 0.9868 | 1.0064 | 1.0098 | 0.9645 | 1.0178 | 0.9465 | 1.0529 | 1.0619 | 0.9866 |
ERUCIC ACID (M-H)- | 7.4395 | 7.8226 | 0.2173 | 0.1589 | 0.4622 | 0.1094 | 0.1601 | 0.3896 | 0.1029 | 0.2085 | 0.3081 | NA | 0.3677 | 0.3004 | 0.2282 | 0.1520 | 0.1507 | 0.0966 | 0.4677 | 0.1339 | 0.0233 | 0.0616 | 0.0918 | 0.0496 | 0.0584 | 0.3260 | 0.3557 | 0.0550 | 0.2850 | 1.3555 | 0.0341 | 0.4403 | NA | 0.1348 | 0.1374 | 0.0491 | 0.0880 | 0.1632 | 0.1755 | 0.2655 | 0.1146 | 1.4240 | 1.6115 | 0.6168 | 1.2026 | 0.3093 | 0.3908 | 0.5630 | 0.9952 | 0.2296 | 0.1688 |
GERANYLGERANYL DIPHOSPHATE (M-H)- | 0.7767 | 0.7413 | 1.0714 | 0.9132 | 1.0944 | 1.1416 | 1.2729 | 0.8390 | 1.4092 | 1.1481 | 1.4063 | 0.7934 | 0.7765 | 1.4257 | 0.5193 | 0.9917 | 1.7356 | 0.9200 | 0.8410 | NA | 1.0004 | 0.9466 | 2.0176 | 0.5352 | 0.6746 | NA | 0.2497 | 0.7762 | NA | NA | 0.9631 | NA | NA | 0.9945 | 0.8322 | 1.2783 | 0.9586 | 0.7943 | 0.9068 | 0.8396 | 0.7628 | 1.4342 | 1.3556 | 1.2250 | 1.4837 | 1.1316 | 0.8776 | 0.9325 | 0.7848 | 0.7610 | 0.7496 |
GLUCOSE (M+Cl)- | 0.9108 | 1.1083 | 0.8779 | 1.3014 | 0.8111 | 1.1107 | 1.5008 | 1.1153 | 0.2088 | 1.2298 | 0.8769 | 1.4678 | 0.9289 | 0.9093 | 0.9546 | 1.4786 | 0.2324 | 0.9556 | 1.6274 | 0.1661 | 2.1659 | 1.3907 | 2.2293 | 0.2516 | 0.2179 | 0.4661 | 0.2715 | 0.2160 | 0.4557 | 0.4744 | 1.7472 | 0.5263 | 1.3930 | 0.8511 | 1.0553 | 1.7718 | 1.4357 | 0.8830 | 0.9133 | 0.6550 | 1.2360 | 0.9631 | 1.1982 | 0.9404 | 1.0468 | 0.8276 | 1.3303 | 1.2554 | 0.8797 | 0.9463 | 1.2017 |
GLUTAMINE (M-H)- | 0.8483 | 1.2414 | 0.9604 | 1.5576 | 0.8677 | 0.9611 | 1.1433 | 0.9628 | NA | 0.9966 | 0.9089 | 0.6475 | 0.7936 | 0.8042 | 0.6821 | 1.0579 | NA | 1.3426 | 1.0700 | 0.1490 | 0.8798 | 1.0220 | 0.8438 | NA | NA | 0.4482 | 0.4306 | NA | 0.2215 | 0.6749 | 1.8897 | NA | 1.3829 | 1.0288 | 0.9464 | 1.0987 | 0.5526 | 1.0350 | 1.1045 | 0.6534 | 0.8893 | 0.8502 | 1.1839 | 0.9573 | 1.3002 | 0.8999 | 1.3304 | 1.1613 | 1.0931 | 0.8324 | 1.2244 |
GLUTARIC ACID (M-H)- | 0.7404 | 0.7479 | 0.5952 | 0.9613 | 2.7403 | 1.5169 | 0.8446 | 2.2747 | 0.0993 | 0.5515 | 1.0196 | 0.3601 | 0.7213 | 0.5230 | 0.4458 | 0.5528 | NA | 0.5428 | NA | NA | NA | 0.4174 | 0.2254 | 0.0490 | NA | NA | 0.9029 | 0.2338 | 0.4555 | NA | NA | 0.9172 | 2.2801 | 1.0071 | 0.4471 | 0.4321 | 0.7307 | 0.5209 | 1.3336 | 0.5901 | 0.5736 | 0.5083 | 0.6433 | 0.8900 | 1.1643 | 0.7955 | 1.0361 | 0.8463 | 1.4000 | 0.5351 | 0.5213 |
GLYCOLITHOCHOLIC ACID (M-H)- | 1.4044 | 0.9198 | 0.8640 | 2.4418 | 0.8390 | 2.2353 | 1.1774 | 1.7809 | 0.3439 | 1.1682 | 1.1050 | 0.6996 | 1.3532 | 0.5831 | 0.5399 | 1.3631 | NA | NA | NA | 1.6890 | 1.0491 | 1.4656 | NA | 0.8455 | 0.3202 | 0.1898 | 0.4286 | 0.2167 | 0.3248 | 0.9483 | NA | 0.3013 | NA | 0.5531 | NA | NA | 1.2046 | 0.7305 | 0.6418 | 0.7901 | 0.6216 | 1.0107 | 0.6341 | 0.6012 | 0.5165 | 0.9817 | 0.9335 | 0.6488 | 0.9799 | 1.0984 | 1.4275 |
HEPTADECANOIC ACID (M-H)- | 0.3118 | 0.5391 | 0.4182 | 0.3159 | 1.1251 | 0.1274 | 0.2977 | 0.5426 | 0.1783 | 0.5119 | 0.7398 | 0.0535 | 7.1736 | 2.0936 | 0.9043 | 0.4985 | 0.2468 | 0.8670 | 1.7147 | 0.2614 | 0.0356 | 0.1261 | 0.2858 | 0.0288 | 0.1300 | 0.5713 | 1.7959 | 0.1549 | 1.3157 | 5.6554 | 0.2667 | 2.4218 | 0.0972 | 1.3955 | 0.4534 | 0.1989 | 0.1314 | 0.3453 | 0.4774 | 0.9858 | 0.3586 | 0.9573 | 0.6240 | 0.4667 | 1.0899 | 0.5661 | 0.4416 | 0.4518 | 0.4380 | 0.3872 | 0.6812 |
HIPPURIC ACID (M-H)- | 1.2128 | 1.0983 | 1.2877 | 1.2299 | 1.8065 | 1.6676 | 0.9153 | 1.6816 | 4.0506 | 1.9803 | 2.0805 | 0.2096 | 0.3606 | 0.4216 | 0.8582 | 0.7534 | 0.2711 | 0.4605 | 0.1920 | 0.3752 | 0.2209 | 0.5179 | 0.3419 | 0.3744 | 0.3724 | 0.7387 | 0.5326 | 0.0967 | 1.1647 | 0.2300 | 0.4043 | 0.6967 | 0.4879 | 0.7163 | 0.4651 | 0.1871 | 0.2905 | 0.7226 | 0.8419 | 0.5054 | 0.9335 | 0.7616 | 0.6199 | 0.9993 | 0.9932 | 1.2376 | 1.0118 | 0.8020 | 0.9268 | 0.5967 | 0.3907 |
HYODEOXYCHOLIC ACID (M-H)- | 1.4235 | 0.9857 | 0.8892 | 0.8040 | 1.5559 | 0.5471 | 0.5475 | 1.0317 | 0.1022 | 0.9951 | 0.7505 | 0.2863 | 0.8716 | 1.5937 | 1.3490 | 1.1769 | 0.1769 | 1.8418 | 2.9506 | 0.3395 | 0.0758 | 0.3978 | 0.4665 | 0.0513 | 0.4340 | 2.6440 | 1.4772 | 0.4188 | 1.2716 | 2.2735 | 0.6564 | 1.7874 | NA | 0.7792 | 1.1153 | 0.6069 | 0.3009 | 0.3354 | 0.7327 | 0.9259 | 0.9616 | 1.6475 | 1.4746 | 1.5578 | 0.9325 | 0.9212 | 1.3735 | 0.8723 | 0.7571 | 0.9426 | 0.5461 |
ISOCITRIC ACID (M-H)- | 0.9550 | 1.2309 | 0.6596 | 0.9341 | 0.6698 | 0.9211 | 1.0303 | 0.8223 | 0.7766 | 1.0306 | 1.0551 | 1.4464 | 0.9702 | 1.1625 | 0.8620 | 1.0147 | 1.0094 | 0.9441 | 0.5784 | NA | 2.1004 | 1.8682 | 1.0840 | 0.2735 | 1.7040 | 0.4357 | 0.4911 | 0.0280 | 0.2759 | 0.2441 | 0.5931 | 0.5920 | 1.7182 | 1.0022 | 1.1887 | 0.9892 | 0.9881 | 1.0868 | 1.1581 | 0.9353 | 0.9654 | 0.8937 | 0.9013 | 1.0410 | 0.8359 | 1.2068 | 1.2558 | 1.2524 | 1.1127 | 1.1446 | 1.3899 |
ISOLEUCINE (M-H)- | 0.9546 | 0.9371 | 0.8482 | 1.0860 | 1.0401 | 1.0683 | 0.6819 | 1.0367 | 0.3902 | 1.0375 | 1.4624 | 0.9995 | 0.9825 | 1.2055 | 0.8139 | 0.8798 | 0.2095 | 0.9899 | 0.3884 | 1.1672 | 1.0892 | 1.2310 | 0.9027 | 0.1336 | 0.2696 | 1.3643 | 0.7201 | 0.9111 | 1.1584 | 1.1319 | 1.2445 | 0.8705 | 0.9852 | 1.0921 | 0.9200 | 0.9775 | 1.1890 | 1.5016 | 1.6124 | 0.6866 | 0.8362 | 0.9034 | 0.7904 | 0.8929 | 0.9815 | 0.8011 | 1.1330 | 0.9123 | 1.1296 | 0.8630 | 1.1235 |
ITACONIC ACID (M-H)- | 1.2459 | 1.7429 | 3.9777 | 0.9476 | 0.4026 | NA | 0.7376 | 1.0417 | NA | 0.8210 | 0.5540 | NA | 1.2429 | 1.1980 | NA | NA | NA | NA | NA | 1.8688 | NA | NA | NA | NA | NA | 1.7017 | 0.8702 | NA | 1.3114 | 1.4138 | NA | NA | NA | NA | NA | NA | NA | NA | 0.6455 | 0.6467 | NA | 0.5040 | 0.7397 | 1.0377 | NA | 0.5045 | 0.5747 | 0.7657 | 1.4618 | 0.8151 | 1.0437 |
KYNURENINE (M-H)- | 1.1723 | 0.9560 | 0.7561 | 1.0403 | 0.8585 | 1.0634 | 0.8716 | 1.0647 | 0.2765 | 1.0702 | 1.4695 | 0.7435 | 0.9198 | 1.1478 | 1.1527 | 0.9630 | NA | 0.7425 | 0.7236 | 0.8431 | 1.4803 | 1.3345 | 0.6630 | 0.2752 | 0.2326 | 1.0987 | 0.9683 | NA | 1.1823 | 1.1488 | 1.0609 | 1.0684 | 1.9618 | 1.1101 | 0.8212 | 1.3597 | 0.8222 | 1.2488 | 1.1438 | 0.6513 | 0.9710 | 1.0356 | 1.0537 | 0.9990 | 1.0529 | 0.9379 | 0.9908 | 0.9747 | 1.1399 | 0.8634 | 0.7891 |
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- | 1.0801 | 0.9950 | 0.9652 | 0.8974 | 1.0977 | 0.7277 | 0.7131 | 1.0525 | 0.6100 | 0.9206 | 1.0788 | 0.8864 | 0.9826 | 1.3249 | 0.9735 | 0.8077 | 1.2751 | 0.7838 | 1.0469 | 1.2550 | 1.0555 | 0.8947 | 0.8129 | 0.4000 | 0.7624 | 1.4493 | 1.0779 | 0.7812 | 1.4090 | 1.8882 | 0.6791 | 1.5061 | 0.8368 | 0.9421 | 0.6732 | 0.8615 | 0.7673 | 1.0985 | 0.9217 | 0.9677 | 0.7195 | 1.3193 | 1.0970 | 0.9860 | 1.0380 | 1.0803 | 0.9861 | 0.9379 | 1.0887 | 1.0856 | 0.9502 |
LAURIC ACID (M-H)- | 0.6595 | 0.7081 | 0.6689 | 0.6426 | 0.8981 | 0.4708 | 0.5398 | 0.7190 | NA | 0.7302 | 1.1364 | NA | 1.6310 | 1.4265 | 1.0692 | NA | NA | NA | NA | 0.3197 | 0.3139 | 0.6777 | NA | NA | NA | 0.4457 | 1.4755 | NA | 0.8610 | 2.4889 | 0.9508 | 1.3358 | NA | 0.9993 | NA | NA | NA | 0.6628 | 2.1307 | 1.4049 | NA | 1.4508 | 1.1775 | 0.9639 | 0.7333 | 1.0343 | 1.0892 | 0.8227 | 0.7576 | 0.7517 | 0.8787 |
L-CARNITINE (M+Cl)- | 0.8581 | 0.8938 | 1.1186 | 1.2656 | 0.8519 | 0.8320 | 1.2294 | 0.9074 | NA | 1.0065 | 1.1461 | 1.0425 | 0.9291 | 1.1327 | 0.8179 | 0.7716 | NA | 0.9492 | 0.3097 | NA | 1.0054 | 0.8053 | 0.9204 | NA | NA | NA | 0.1247 | NA | NA | NA | 1.0732 | NA | 1.2338 | 0.9256 | 0.8780 | 0.9442 | 0.6498 | 0.7404 | 0.8284 | 0.9173 | 1.1862 | 1.2197 | 1.3466 | 0.9178 | 0.8900 | 0.9680 | 1.3365 | 1.0913 | 1.1911 | 0.9928 | 1.3616 |
LEUCINE (M-H)- | 0.9702 | 0.9431 | 0.8429 | 1.0845 | 1.0353 | 1.0755 | 0.6775 | 1.0324 | 0.3891 | 1.0382 | 1.4543 | 0.9966 | 0.9919 | 1.2007 | 0.8084 | 0.8795 | 0.2089 | 0.9833 | 0.3865 | 1.1639 | 1.0160 | 1.2180 | 0.9001 | 0.1332 | 0.2688 | 1.3607 | 0.7180 | 0.9084 | 1.1552 | 1.1286 | 1.1655 | 0.8680 | 0.9837 | 1.0807 | 0.9116 | 0.9746 | 1.1856 | 1.5388 | 1.6193 | 0.6909 | 0.8358 | 0.9041 | 0.7878 | 0.8921 | 0.9797 | 0.8041 | 1.1317 | 0.9112 | 1.1142 | 0.8710 | 1.1150 |
L-HISTIDINE (M-H)- | 1.0486 | 1.2579 | 1.0068 | 1.4143 | 0.8719 | 0.9337 | 0.8453 | 0.9141 | NA | 1.0054 | 1.0333 | 0.9452 | 1.0148 | 0.9816 | 0.8717 | 1.0571 | NA | 1.5277 | 1.0514 | 0.5638 | 0.5771 | 1.0022 | 0.6606 | NA | NA | 0.8710 | 0.5272 | NA | 0.8675 | 0.9785 | 1.2400 | 0.5303 | 1.2794 | 1.0634 | 1.2051 | 1.0838 | 0.9320 | 0.8905 | 1.1582 | 0.7228 | 1.0748 | 0.9580 | 1.0650 | 0.8041 | 0.8881 | 0.9811 | 1.2034 | 1.0779 | 0.9936 | 0.9319 | 1.3045 |
LINOLEIC ACID (M-H)- | 0.5425 | 0.7719 | 0.8380 | 0.5237 | 1.9841 | 0.2296 | 0.2382 | 0.8558 | 0.0339 | 0.7052 | 0.6501 | 0.2157 | 1.3695 | 1.8492 | 1.0807 | 0.4046 | 0.0245 | 0.2290 | 2.3844 | 0.5320 | 0.0470 | 0.2951 | 0.7319 | 0.1234 | 0.2173 | 1.7951 | 3.2911 | 0.1415 | 2.6509 | 6.8290 | 0.4933 | 4.9018 | 0.1370 | 0.9052 | 0.6805 | 1.2207 | 0.5961 | 0.2783 | 0.2170 | 1.6236 | 0.7958 | 1.9745 | 1.5488 | 0.6205 | 0.4625 | 1.7132 | 1.6055 | 0.6208 | 0.5381 | 0.9008 | 0.7018 |
L-TRYPTOPHAN-15N2 [ISTD] (M-H)- | 1.0711 | 1.0204 | 0.9678 | 1.1674 | 1.0893 | 0.8944 | 0.7454 | 1.0767 | 0.3068 | 0.9762 | 1.0184 | 1.2569 | 0.9668 | 1.1806 | 1.1697 | 1.1278 | 0.2958 | 1.0801 | 1.1494 | 0.9608 | 1.2965 | 1.0370 | 1.1865 | 0.2208 | 0.3964 | 1.4066 | 0.9516 | 0.3921 | 1.1941 | 1.1699 | 1.1235 | 1.2898 | 1.2048 | 0.9384 | 0.8384 | 1.1071 | 0.8474 | 1.1538 | 0.9059 | 0.8777 | 0.9820 | 1.0830 | 0.9493 | 0.9431 | 0.9649 | 0.9993 | 1.0950 | 1.0251 | 1.0474 | 1.0799 | 0.9455 |
MALIC ACID (M-H)- | 0.8186 | 1.0271 | 0.6500 | 1.7069 | 1.0660 | 0.7036 | 1.0427 | 0.9903 | 0.3006 | 1.5285 | 0.8112 | 1.4604 | 0.5534 | 0.4051 | 0.5527 | 0.8341 | 0.4638 | 1.2626 | 0.7413 | NA | 0.4935 | 0.5899 | 0.5565 | 0.1393 | 0.5686 | 0.1122 | 0.4926 | 0.7134 | 0.2851 | 0.0779 | 0.4254 | 0.4138 | 1.4887 | 0.3796 | 2.2171 | 0.8216 | 0.5468 | 2.4953 | 2.6122 | 0.7813 | 0.7514 | 0.5716 | 0.7687 | 1.1412 | 1.5085 | 0.7972 | 0.8310 | 0.7078 | 0.8642 | 1.0287 | 0.7700 |
METHYLMALONIC ACID (M-H)- | 1.1634 | 1.1979 | 1.2334 | 0.3410 | 0.8191 | 0.7880 | 0.4086 | 0.5394 | 0.7944 | 0.3057 | 0.6227 | NA | 1.0899 | NA | 1.2156 | NA | 0.4763 | NA | NA | NA | 3.4506 | 2.2707 | NA | 0.3646 | 0.5126 | NA | 0.5479 | 0.5737 | 0.7737 | NA | 1.4151 | 2.4261 | NA | 1.6062 | 0.4264 | NA | NA | 1.0125 | 1.7716 | 1.0550 | NA | 1.0239 | 0.4839 | 0.9663 | 0.6230 | 0.6497 | 1.1785 | 0.4634 | 0.5514 | 1.8895 | 1.0853 |
MEVALONIC ACID (M-H)- | 1.1248 | 0.5123 | 0.6304 | 8.3383 | 0.7917 | 0.5206 | 6.7267 | 1.0122 | 1.5672 | 0.4309 | 0.7701 | NA | 0.6302 | 0.3931 | NA | NA | 0.2384 | NA | NA | NA | 0.1847 | 0.3012 | NA | 0.1847 | 0.3146 | NA | 0.0630 | 1.1848 | 0.2305 | NA | 0.2918 | NA | NA | 0.8204 | 0.1608 | NA | NA | 1.3582 | 0.4187 | 0.6896 | NA | 0.3799 | 0.5901 | 1.1751 | 2.3087 | 0.4322 | 0.9530 | 1.8930 | 1.0713 | 0.6589 | 0.4596 |
MYRISTIC ACID (M-H)- | 0.4643 | 0.5324 | 0.7267 | 0.3917 | 1.9437 | 0.1903 | 0.4044 | 1.0426 | 0.4463 | 0.5576 | 1.0942 | 0.1068 | 1.6046 | 2.7157 | 1.2362 | 0.5596 | 0.8983 | 0.6864 | 2.2604 | 0.8784 | 0.0642 | 0.1531 | 0.4152 | 0.0921 | 0.1714 | 1.0277 | 2.5775 | 0.2602 | 2.6898 | 9.5715 | 0.2233 | 3.8948 | 0.2144 | 0.8903 | 0.4243 | 0.3617 | 0.1905 | 0.5517 | 0.8210 | 1.9677 | 0.4017 | 1.7306 | 1.0168 | 0.8825 | 0.7614 | 1.1580 | 0.9898 | 0.5002 | 0.6587 | 0.7882 | 0.4767 |
MYRISTOLEIC ACID (M-H)- | 0.6787 | 0.8686 | 0.7059 | 0.2263 | 1.7363 | 0.2296 | 0.2287 | 1.0466 | 0.2123 | 0.7079 | 0.8241 | 0.0900 | 1.4528 | 1.9116 | 1.2178 | 1.2295 | 0.5522 | 0.8233 | 1.5432 | 0.1053 | 0.0212 | 0.1520 | 0.4368 | NA | 0.0416 | 0.3480 | 2.3669 | 0.2281 | 1.3742 | 6.3311 | 0.2531 | 2.4783 | NA | 0.6772 | 0.6024 | 0.2748 | 0.2452 | 0.5021 | 0.5807 | 1.6499 | 0.5727 | 2.1030 | 1.2195 | 1.3358 | 0.8354 | 1.0250 | 0.9351 | 0.5653 | 0.6232 | 0.9358 | 0.7538 |
N-ACETYL-DL-METHIONINE (M-H)- | 0.9603 | 0.7832 | 0.9508 | 0.8667 | 0.9174 | 1.1730 | 0.6682 | 0.7778 | NA | 1.1187 | 1.3460 | 0.5600 | 1.2002 | 0.9869 | 0.9270 | 1.1333 | NA | NA | NA | 0.8860 | 1.0065 | 1.1105 | 1.4127 | NA | NA | 0.8423 | 1.2479 | NA | 0.9328 | 0.6545 | 1.5211 | 1.2069 | NA | 1.4298 | 0.6669 | 1.7426 | 0.8088 | 0.8727 | 1.2719 | 0.8243 | 1.3104 | 0.8876 | 0.9184 | 0.8856 | 0.8062 | 1.0512 | 1.0321 | 0.7956 | 1.1022 | 1.0959 | 0.8004 |
N-ACETYLGLYCINE (M-H)- | 0.3906 | 0.9068 | 0.8297 | 0.8695 | 0.4130 | 0.7324 | 1.3752 | 0.3955 | NA | 1.1625 | 1.1235 | 1.1253 | 0.7005 | 1.7660 | NA | 3.3169 | 0.9831 | NA | NA | NA | 0.4284 | 0.9252 | 0.8794 | 0.5734 | 1.1265 | NA | 0.5911 | 0.2259 | NA | NA | 1.0952 | NA | NA | 0.6674 | 0.3733 | NA | 0.4901 | 1.0667 | 0.8457 | 1.5240 | 0.8004 | 1.1579 | 1.8860 | 0.8444 | 0.9435 | 1.4116 | 0.9678 | 1.5098 | 0.6890 | 0.9765 | 1.0227 |
N-ACETYL-L-ALANINE (M-H)- | 1.1916 | 0.9000 | 0.8525 | 0.8034 | 1.0685 | 0.7951 | 0.7917 | 0.8427 | 0.4091 | 1.1359 | 0.8980 | 1.0745 | 1.1062 | 1.0758 | 0.9475 | 1.1061 | 1.0417 | 0.9529 | 0.8918 | 0.7729 | 1.4122 | 1.1179 | 1.3648 | 0.6932 | 0.6268 | 0.8075 | 0.8204 | 0.7745 | 0.9748 | 1.1240 | 1.6696 | 0.6730 | 1.7560 | 1.1228 | 1.1060 | 1.6950 | 0.7331 | 1.1151 | 1.1926 | 0.7624 | 1.3891 | 0.9285 | 0.9822 | 0.9197 | 1.0357 | 1.1086 | 1.1460 | 1.0169 | 0.9123 | 1.0499 | 0.9033 |
N-ACETYLNEURAMINIC ACID (M-H)- | 0.9566 | 1.2090 | 0.8074 | 0.9214 | 0.7064 | 0.9339 | 1.2759 | 0.9204 | NA | 1.1634 | 0.9628 | 1.1264 | 0.8559 | 0.9722 | 0.6561 | 0.9877 | NA | NA | NA | NA | 1.3306 | 0.9540 | 1.3969 | NA | NA | NA | 0.9131 | NA | NA | NA | 1.1574 | NA | 0.6293 | 1.4091 | 0.6497 | 1.0198 | 0.7712 | 0.9293 | 1.0110 | 1.0145 | 1.1658 | 1.0277 | 0.9979 | 1.0879 | 1.1544 | 0.8064 | 0.9752 | 1.1013 | 0.8172 | 0.9847 | 1.6642 |
NERVONIC ACID (M-H)- | 2.7195 | 2.8178 | 0.7151 | 0.6489 | 1.1631 | 0.4105 | 0.5716 | 0.9972 | 0.4985 | 0.8698 | 1.0736 | 0.1457 | 0.5837 | 0.8996 | 0.6116 | 0.5349 | 0.3424 | 0.5350 | 1.3281 | 0.5975 | 0.1440 | 0.3513 | 0.5447 | 0.1846 | 0.2394 | 1.1449 | 1.0986 | 0.2680 | 0.8104 | 2.3202 | 0.2998 | 1.4414 | 0.1201 | 0.5492 | 0.4719 | 0.2745 | 0.3685 | 0.5066 | 0.5397 | 0.7324 | 0.4232 | 1.7938 | 2.0171 | 1.2903 | 1.4160 | 0.8138 | 0.9972 | 0.7931 | 1.3893 | 0.6690 | 0.6411 |
N-ETHYLMALEIMIDE (M-H)- | 2.1826 | 2.1479 | 0.9893 | 0.5892 | 0.8442 | 0.9864 | 0.7808 | 0.9702 | NA | 0.8227 | 0.8381 | NA | 0.2383 | 0.4479 | 0.5871 | 1.0231 | NA | 0.7855 | NA | 1.3401 | 0.3031 | 0.4788 | 0.9310 | 0.2411 | 0.6292 | 0.6031 | 0.4562 | NA | 0.2883 | 0.3747 | NA | NA | 0.5114 | 0.4928 | NA | 0.1368 | 0.3927 | 1.6052 | 1.0770 | 0.4966 | 0.5268 | 0.7227 | 0.5496 | 2.3081 | 1.5740 | 0.6325 | 0.4451 | 1.2573 | 1.0131 | 0.7457 | 0.6748 |
OLEIC ACID (M-H)- | 0.4300 | 0.6814 | 0.8866 | 0.4822 | 1.9601 | 0.2812 | 0.3498 | 1.0949 | 0.5980 | 0.8321 | 0.8524 | 0.1070 | 1.1087 | 1.8246 | 0.8763 | 0.8022 | 0.8490 | 0.6294 | 2.7011 | 0.1354 | 0.0227 | 0.1953 | 0.5822 | 0.0484 | 0.1447 | 0.7459 | 2.0383 | 0.3587 | 1.3424 | 5.7138 | 0.4113 | 3.3019 | 0.0478 | 0.9675 | 0.7722 | 0.5125 | 0.2443 | 0.2219 | 0.3248 | 1.3143 | 0.7419 | 2.1075 | 1.8024 | 1.3016 | 1.1345 | 1.5274 | 1.3387 | 0.6783 | 0.7642 | 0.8174 | 0.5285 |
OXALOACETIC ACID (M-H)-[-H2O] | 0.8595 | 1.0350 | 0.8101 | 1.1237 | 1.0267 | 0.9076 | 1.6304 | 1.1134 | 1.8140 | 0.9506 | 1.0497 | 1.0704 | 0.9253 | 1.0455 | 1.1152 | 1.1091 | NA | 1.2020 | 1.2159 | 0.9816 | 1.0598 | 1.0852 | 1.0922 | NA | 0.3753 | 1.0375 | 1.0693 | 0.0591 | 0.9483 | 0.9930 | 1.1226 | 0.9743 | 1.1616 | 0.8190 | 1.1987 | 1.0592 | 1.0453 | 1.0185 | 0.9186 | 0.9740 | 1.1508 | 1.0118 | 0.9447 | 0.8687 | 0.9961 | 1.0095 | 0.9921 | 1.0440 | 0.9555 | 0.9874 | 0.8688 |
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)- | NA | NA | NA | NA | NA | NA | 0.0017 | NA | NA | 0.2809 | NA | NA | 0.3586 | NA | 0.1665 | 0.0093 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.1941 | 0.0292 | NA | NA | NA | 0.0129 | NA | 0.6233 | 4.8258 | 0.1359 | 0.4228 | NA | NA | 1.5373 | 0.6485 | NA | NA | NA | 0.9151 | 4.2046 | 1.9496 | NA | 0.3480 | 0.6012 | 0.1015 |
PALMITIC ACID (M-H)- | 0.6012 | 0.8164 | 1.0284 | 0.5735 | 2.0832 | 0.1966 | 0.3983 | 1.2636 | 0.1053 | 0.6875 | 0.5418 | 0.0995 | 1.1065 | 2.1533 | 1.1233 | 0.5752 | 0.2688 | 0.5727 | 1.7614 | 0.3039 | 0.0212 | 0.1272 | 0.3524 | 0.0482 | 0.1656 | 0.8638 | 2.3792 | 0.0823 | 2.1083 | 6.3381 | 0.2190 | 3.8593 | 0.0767 | 0.8899 | 0.5240 | 0.3612 | 0.1892 | 0.3735 | 0.5246 | 1.3717 | 0.4897 | 2.0116 | 0.9230 | 1.4227 | 0.9071 | 1.3713 | 1.4547 | 0.5844 | 0.9665 | 0.8486 | 0.4905 |
PALMITOLEIC ACID (M-H)- | 0.3568 | 0.5655 | 1.0188 | 0.2491 | 2.1604 | 0.1800 | 0.2207 | 1.2493 | 0.6771 | 0.5065 | 1.1372 | 0.0634 | 1.1006 | 1.3905 | 0.9537 | 0.5569 | 0.7099 | 0.2002 | 2.2064 | 0.0760 | 0.0154 | 0.1121 | 0.3969 | 0.0197 | 0.0768 | 0.3270 | 2.0961 | 0.2511 | 1.2860 | 7.1844 | 0.3496 | 4.0725 | 0.0393 | 1.0144 | 0.4199 | 0.1783 | 0.1408 | 0.2050 | 0.1797 | 1.8251 | 0.5054 | 2.7274 | 1.8703 | 1.3557 | 1.0273 | 1.1721 | 1.3825 | 0.5053 | 0.5482 | 0.9708 | 0.3777 |
PANTOTHENIC ACID (M-H)- | 0.8747 | 1.0478 | 0.8618 | 0.9928 | 1.0560 | 1.0194 | 0.6796 | 1.2074 | 0.4751 | 1.0722 | 1.2422 | 0.5827 | 0.6690 | 0.9090 | 0.8936 | 1.2664 | 0.3903 | 1.0666 | 0.5968 | 0.8568 | 1.0328 | 1.1137 | 0.9130 | 0.5153 | 0.4536 | 1.1734 | 0.9107 | 0.4754 | 1.1269 | 1.3550 | 1.3304 | 0.7352 | 1.2994 | 1.2003 | 0.9613 | 1.2410 | 0.8606 | 1.0700 | 1.0101 | 0.7246 | 0.9583 | 1.0267 | 1.2556 | 1.0811 | 1.1280 | 1.0388 | 1.4772 | 0.7973 | 1.1468 | 0.9261 | 0.9075 |
PHENYLALANINE (M-H)- | 0.9156 | 0.8478 | 0.6323 | 0.9005 | 0.9771 | 0.8266 | 0.6180 | 1.0087 | 0.4737 | 0.8698 | 1.7385 | 0.8480 | 1.0110 | 1.4495 | 1.0301 | 1.1229 | 0.6924 | 0.9591 | 0.6917 | NA | NA | 1.3426 | 1.6476 | 0.4872 | 0.4703 | NA | 1.0728 | 0.6481 | 1.2104 | NA | NA | 1.1653 | 0.9118 | 1.0073 | 0.9019 | 2.2607 | 1.0949 | 1.3555 | 1.5998 | 0.8881 | 0.9743 | 0.9676 | 0.8210 | 0.7080 | 0.9053 | 0.9906 | 0.8921 | 0.9445 | 0.9815 | 0.8892 | 1.0649 |
PHENYLPYRUVIC ACID (M-H)- | 1.3553 | 1.2190 | 0.7362 | 0.7900 | 0.7795 | 0.8130 | 0.8392 | 1.1464 | 0.5565 | 0.7865 | 1.4077 | 0.6147 | 1.0711 | 1.3656 | 0.9228 | 1.2424 | 0.4750 | NA | 0.7579 | 1.1677 | 2.0760 | 1.3471 | 1.1178 | 0.5011 | 0.9056 | 1.1450 | 0.8988 | NA | 1.0833 | 0.8050 | 0.3615 | 0.8300 | 0.9120 | 0.8941 | 0.7058 | 0.9842 | 0.9698 | 1.0093 | 1.4225 | 0.9294 | 1.0358 | 0.8829 | 0.6545 | 0.8235 | 0.8857 | 0.8306 | 0.8612 | 0.9308 | 1.1813 | 0.9877 | 1.3212 |
PHYTANIC ACID (M-H)- | 0.2923 | 0.7292 | 0.5108 | 0.7330 | 0.9139 | 0.3249 | 0.8611 | 0.9767 | 0.3434 | 1.0372 | 1.7783 | 0.3542 | 1.2570 | 3.3212 | 0.7223 | 0.7582 | 0.4375 | 0.7524 | 4.0469 | 0.2553 | 0.1366 | 0.3157 | 0.4477 | 0.0452 | 0.3544 | 0.8655 | 1.6663 | 0.3915 | 1.1885 | 5.2931 | 0.4889 | 3.2532 | 0.2798 | 0.7420 | 0.6682 | 0.1440 | 0.3600 | 0.7334 | 3.5753 | 0.9115 | 0.5137 | 1.3200 | 1.0361 | 0.5036 | 0.4301 | 0.6871 | 0.9005 | 0.4344 | 0.6389 | 0.7269 | 0.5498 |
RIBITOL (M+Cl)- | 0.6239 | 0.9650 | 3.4779 | 2.0154 | 0.4712 | 0.7560 | 0.7231 | 0.6169 | NA | 1.2454 | 1.1489 | NA | 0.2583 | 0.3957 | 0.3465 | 0.2885 | NA | NA | 0.5122 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.3352 | 0.3350 | NA | NA | 1.8587 | 0.9958 | 0.5748 | 0.5057 | 1.1889 | 1.2105 | 1.4084 | 2.4640 | 0.3326 | 1.5484 | 0.4709 | 0.4759 | 0.5364 | 0.3222 |
S-ADENOSYL-L-HOMOCYSTEINE (M-H)- | 1.4459 | 1.0399 | 1.7680 | 0.8196 | 0.4544 | 0.6886 | 0.8998 | 0.5266 | 0.7048 | 1.5294 | 1.2300 | NA | 0.6589 | 0.5188 | 0.3770 | 0.6451 | 0.5525 | NA | NA | 0.3230 | 0.2038 | 0.3804 | 0.2980 | 0.5450 | 0.5088 | 0.3336 | 0.5194 | 1.4119 | 0.5376 | 0.2551 | 0.5026 | 0.8279 | NA | 0.6395 | 0.9413 | NA | 0.5385 | 1.3382 | 1.8944 | 0.6936 | 0.5338 | 1.1916 | 1.1549 | 1.0845 | 0.9986 | 0.5074 | 0.6316 | 1.2796 | 1.4960 | 0.6413 | 0.9450 |
STEARIC ACID (M-H)- | 0.4692 | 0.7177 | 0.8498 | 0.4961 | 1.8893 | 0.2114 | 0.4339 | 1.2123 | 0.4303 | 0.6956 | 1.0967 | 0.0676 | 1.0470 | 2.1708 | 1.1478 | 0.5416 | 0.5801 | 0.8546 | 2.6871 | 0.4604 | 0.0200 | 0.1317 | 0.3249 | 0.0585 | 0.1963 | 1.3351 | 2.2064 | 0.2248 | 2.4216 | 8.0885 | 0.1700 | 4.0621 | 0.1088 | 0.8074 | 0.5793 | 0.2762 | 0.2831 | 0.3167 | 0.5973 | 1.3732 | 0.5505 | 2.0874 | 1.5296 | 1.3238 | 0.9859 | 1.1365 | 1.4355 | 0.4895 | 0.7945 | 0.7028 | 0.5510 |
SUCCINIC ACID (M-H)- | 1.0520 | 0.9412 | 1.0029 | 1.0076 | 1.0139 | 1.0183 | 0.7928 | 0.9234 | 1.3984 | 0.7859 | 0.8169 | 1.5607 | 1.1685 | 1.0825 | 1.3326 | 1.0784 | 0.8814 | 1.6183 | 1.5345 | 1.0268 | 1.3950 | 1.1977 | 1.4425 | 1.1951 | 1.0116 | 0.8856 | 0.8819 | 1.2952 | 0.8277 | 1.2194 | 0.5764 | 1.7176 | 1.7353 | 1.2606 | 1.5368 | 1.3411 | 0.9896 | 0.7886 | 1.0258 | 0.9786 | 1.3757 | 0.7667 | 0.9158 | 0.6620 | 0.7507 | 1.0702 | 1.0614 | 0.8486 | 0.8619 | 1.3680 | 0.8708 |
SUCROSE (M+Cl)- | 1.6314 | 1.7098 | 1.2650 | 0.5625 | 0.8913 | 0.9536 | 1.7378 | 0.6362 | NA | 0.7539 | 0.9767 | 2.3811 | 1.0620 | 0.8136 | 1.2841 | 1.3216 | NA | NA | NA | NA | 0.5598 | 0.5140 | 0.5103 | NA | NA | 0.5105 | 0.9489 | NA | 0.6799 | 0.7885 | 0.7764 | 0.2207 | NA | 1.9546 | NA | 0.8011 | 0.2446 | 1.8402 | 1.0343 | 0.8624 | 1.6085 | 0.3154 | 0.4532 | 0.8947 | 0.7527 | 1.1473 | 0.7625 | 1.0831 | 0.7004 | 0.6951 | 0.5528 |
TEREPHTHALIC ACID (M-H)- | 1.0497 | 0.9983 | 0.6248 | 0.7836 | 0.7156 | 0.4208 | 0.4420 | 0.9508 | 0.4808 | 0.6140 | 0.5796 | 0.8848 | 1.3678 | 1.9335 | 2.0596 | 1.7991 | 0.8661 | 3.7891 | 2.5145 | 1.7167 | 0.6354 | 1.3485 | 0.2793 | 0.2484 | 1.2715 | 1.5048 | 1.0940 | 1.6019 | 2.5501 | 3.4085 | 0.4234 | 1.4304 | 2.4270 | 1.0132 | 1.4118 | 0.8916 | 0.8954 | 0.9454 | 1.0687 | 0.8914 | 0.7744 | 1.1926 | 1.0536 | 0.7630 | 0.6390 | 0.6894 | 0.5746 | 1.1222 | 1.4205 | 1.3858 | 0.8889 |
THEOPHYLLINE (M-H)- | 0.9077 | 0.8212 | 0.7612 | 0.3421 | 0.2716 | 0.1793 | NA | 0.0475 | NA | 2.0195 | 1.5960 | 0.0430 | 0.6944 | 0.2541 | 2.0329 | 0.9814 | 0.1581 | 0.3191 | 0.2125 | 1.4503 | 1.3240 | 1.6822 | 1.4660 | 1.0743 | 0.7076 | 3.0488 | 2.2230 | 0.0434 | 1.5135 | 0.2301 | 0.8573 | NA | 1.7926 | 1.2730 | 0.4261 | 0.5407 | 0.9833 | 0.0912 | 0.5979 | 1.0940 | 1.6234 | 1.5448 | 0.8203 | 0.3561 | 0.3414 | 0.2354 | 1.8577 | 0.8243 | 0.9958 | 1.1424 | 0.8345 |
THYROXINE (M-H)- | 1.1332 | 0.9496 | 0.9053 | 0.7768 | 1.3792 | 0.9841 | 0.9607 | 1.0686 | 0.7828 | 0.9750 | 0.9892 | 0.6495 | 0.9009 | 1.0827 | 1.0485 | 0.7727 | 0.7690 | 0.7297 | 0.6215 | 1.5103 | 0.7445 | 0.9309 | 1.2552 | 0.6702 | 0.7259 | 1.4763 | 1.2591 | 0.6019 | 1.6995 | 1.6878 | 1.1117 | 2.1523 | 0.9843 | 0.9107 | 0.5837 | 0.8462 | 0.6062 | 1.2601 | 0.8718 | 0.9685 | 0.8233 | 1.2161 | 0.8437 | 1.0158 | 0.8142 | 1.1589 | 1.0595 | 0.9572 | 1.0201 | 1.0025 | 1.0558 |
TRANS-ACONITIC ACID (M-H)- | 1.0139 | 1.1444 | 1.2230 | 1.4149 | 1.0708 | 0.8249 | 0.9634 | 0.7250 | 0.8251 | 0.8752 | 0.8512 | 0.5267 | 1.0138 | 1.1341 | 1.1693 | 1.0521 | 0.7258 | 2.6439 | 1.4625 | 0.8868 | 0.8076 | 0.6716 | 0.4903 | 0.6834 | 0.8539 | 1.9476 | 0.7769 | 0.5319 | 1.4442 | 0.0742 | 0.8828 | 0.9131 | 1.8093 | 0.9199 | 1.4740 | 0.4030 | 0.6513 | 1.1480 | 1.4278 | 0.9604 | 1.1572 | 0.6920 | 0.7454 | 1.1899 | 0.9312 | 1.0653 | 1.1180 | 0.7302 | 0.7552 | 0.9600 | 0.8711 |
TRANS-VACCENIC ACID (M-H)- | 0.4302 | 0.6813 | 0.8864 | 0.4822 | 1.9601 | 0.2811 | 0.3499 | 1.0950 | 0.5980 | 0.8323 | 0.8521 | 0.1070 | 1.1087 | 1.8249 | 0.8762 | 0.8015 | 0.8490 | 0.6287 | 2.6995 | 0.1353 | 0.0227 | 0.1953 | 0.5820 | 0.0484 | 0.1447 | 0.7466 | 2.0384 | 0.3587 | 1.3427 | 5.7138 | 0.4115 | 3.3020 | 0.0478 | 0.9675 | 0.7721 | 0.5124 | 0.2443 | 0.2219 | 0.3248 | 1.3144 | 0.7415 | 2.1077 | 1.8031 | 1.3024 | 1.1346 | 1.5272 | 1.3384 | 0.6781 | 0.7642 | 0.8174 | 0.5283 |
TRYPTOPHAN (M-H)- | 1.2015 | 1.1735 | 0.7350 | 1.1673 | 0.9099 | 0.9136 | 0.6411 | 1.0627 | 0.3545 | 0.9665 | 1.1508 | 0.9990 | 1.0617 | 1.3422 | 1.0293 | 1.1795 | 0.2954 | 1.3963 | 0.8475 | 0.6990 | 1.4749 | 1.1417 | 0.8826 | 0.2181 | 0.4343 | 1.3732 | 0.8945 | 0.5293 | 1.2016 | 1.0077 | 1.1195 | 1.0411 | 1.4007 | 0.9744 | 0.8750 | 0.8925 | 0.7809 | 1.2582 | 1.1737 | 0.8045 | 0.9656 | 1.1234 | 0.9881 | 0.8349 | 0.8242 | 0.9453 | 0.9906 | 0.9867 | 1.1754 | 0.9787 | 1.0693 |
TYROSINE (M-H)- | 0.8893 | 1.0404 | 0.7575 | 1.1915 | 1.0549 | 1.0136 | 0.7757 | 1.0315 | 0.2761 | 1.1509 | 1.2892 | 1.0460 | 1.0206 | 1.0091 | 0.8534 | 0.8620 | 0.2688 | 0.8482 | 0.6487 | 0.5016 | 1.2773 | 1.1853 | 1.1560 | 0.2895 | 0.1773 | 1.0026 | 0.7306 | 0.2860 | 0.8842 | 0.8340 | 0.7807 | 0.7487 | 1.4659 | 1.0143 | 0.9916 | 1.6077 | 1.0562 | 1.6228 | 1.6480 | 0.6726 | 0.9979 | 0.9643 | 0.8727 | 0.7196 | 0.8900 | 0.8969 | 1.1559 | 0.9261 | 1.1092 | 0.8956 | 0.9149 |
URIC ACID (M-H)- | 0.9415 | 1.5646 | 0.7797 | 1.4703 | 0.1639 | 0.1464 | 0.6244 | 0.9170 | 0.1501 | 1.2105 | 1.1573 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.5399 | 1.2881 | NA | NA | 0.7445 | 1.2402 | 0.1372 | 1.5720 | NA | NA | NA | 0.5569 | NA | NA |
URIDINE (M+Cl)- | 1.6983 | 1.2735 | 1.0004 | 0.5867 | 0.0163 | NA | 1.0634 | 0.5815 | 3.1089 | 0.8931 | 1.0621 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 2.0923 | 0.7574 | NA | NA | 1.1414 | 1.1146 | 0.2798 | 1.2940 | NA | NA | NA | 1.3731 | NA | NA |
XANTHINE (M-H)- | 1.3841 | 1.7131 | 0.7885 | 0.6003 | 0.6179 | NA | 0.6730 | 0.6740 | 0.8596 | 1.0824 | 0.8573 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.6083 | 0.4672 | NA | NA | 1.1454 | 1.1847 | NA | 2.2448 | NA | NA | NA | 1.1944 | NA | NA |
ZEATIN [ISTD] (M+Cl)- | 0.9101 | 0.9151 | 0.9808 | 1.1081 | 0.0172 | NA | 0.5906 | 1.0505 | 0.9348 | 1.0610 | 0.9699 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.9633 | 1.2124 | NA | NA | 1.1176 | 1.1545 | 1.2576 | 0.8438 | NA | NA | NA | 1.0817 | NA | NA |
ZEATIN [ISTD] (M-H)- | 0.8293 | 0.9061 | 0.9091 | 1.0544 | 0.2414 | 0.1276 | 0.5704 | 1.0991 | 0.4959 | 1.0144 | 0.9402 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0154 | 1.0742 | NA | NA | 1.2823 | 1.2310 | 1.2366 | 1.1854 | NA | NA | NA | 0.8747 | NA | NA |
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 |