Data for Metabolomic Profiles of Recovery from Traumatic Brain Injury (Study ST000721)
(Analysis AN001128)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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
16:0-18:0 PC (M+CL)- | 0.8905 | 1.0447 | 0.7214 | 1.1387 | 0.5904 | 0.6505 | 0.8198 | 1.0690 | 1.0223 | 1.1498 | 0.8896 | 1.0846 | 0.9039 | 1.1963 | 1.1133 | 0.7868 | 1.2099 | 1.1831 | 1.0830 | 0.6144 | 1.0581 | 1.0188 | 1.0135 | 0.9374 | 0.9100 | 0.9669 | 0.8974 | 0.9439 | 0.9469 | 0.8504 | 1.1412 | 1.0082 | 1.0759 | 1.0857 |
16:0 LYSO PC (M+CL)- | 0.9885 | 1.0612 | 0.9684 | 0.9843 | 0.9013 | 1.1229 | 0.9256 | 0.9755 | 1.0148 | 0.8965 | 0.9491 | 1.0710 | 1.0083 | 1.0431 | 0.9247 | 0.9802 | 1.0226 | 1.0700 | 1.0612 | 1.0142 | 1.0617 | 1.0272 | 1.0023 | 0.9867 | 1.0143 | 0.9787 | 0.9961 | 0.9879 | 0.7829 | 0.9425 | 1.0132 | 0.9924 | 1.0231 | 1.0376 |
18:0 LYSO-PE (M-H)- | 1.4147 | 1.3374 | 0.3573 | 0.7638 | 0.3535 | 0.4902 | 0.7205 | 0.9791 | 1.4041 | 0.4361 | 1.3411 | 1.0906 | 1.0473 | 1.2618 | 0.8686 | 0.3079 | 0.9298 | 1.0408 | 1.5655 | 0.7182 | 1.0729 | 1.1457 | 1.0071 | 0.8076 | 1.1777 | 0.8870 | 1.0265 | 0.8788 | 0.4919 | 0.6674 | 1.1104 | 1.1340 | 0.6684 | 0.9642 |
1-METHYLXANTHINE (M-H)- | 0.3691 | 0.2463 | 0.2136 | NA | NA | NA | 0.4591 | 2.3147 | 0.3916 | 1.9309 | 1.5639 | 0.1400 | 0.6681 | 0.2016 | 0.7764 | 0.8477 | 0.2748 | 0.4656 | 0.3692 | 0.8168 | 0.3930 | 1.1705 | 0.9565 | 0.9639 | 1.0998 | 0.7389 | 2.6405 | 1.8667 | 1.3521 | 1.2735 | 0.8042 | 0.7682 | 1.2108 | 1.3737 |
24:0 SM (D18:1/24:0) (M+CL)- | 1.2666 | 1.2407 | 0.8191 | 1.0876 | 0.4909 | 0.4971 | 0.3924 | 1.2678 | 0.8345 | 0.9615 | 0.8145 | 1.4203 | 0.8709 | 1.3617 | 1.0093 | 0.4284 | 1.1109 | 1.0767 | 0.9796 | 0.7211 | 1.3108 | 0.8706 | 1.0805 | 0.9115 | 1.0583 | 0.8634 | 0.9650 | 0.8210 | 0.9881 | 0.7312 | 1.2176 | 0.9662 | 0.7122 | 1.1253 |
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- | 1.9874 | 0.6352 | 0.5356 | 0.9177 | 0.6648 | 1.1217 | 0.4781 | 1.5070 | 3.2633 | 0.5067 | 0.3832 | 2.5716 | 0.9067 | 1.2557 | 2.1379 | 0.8614 | 0.5811 | 0.6402 | 1.8350 | 0.6859 | 1.0257 | 0.6857 | 1.0933 | 0.7769 | 0.9276 | 0.7228 | 0.7643 | 1.0797 | 0.3575 | 0.6703 | 1.0274 | 0.8187 | 0.5705 | 1.2642 |
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)- | 0.9468 | 0.8779 | 0.6519 | 1.1575 | 1.2802 | 0.7012 | 1.1796 | 0.9118 | 1.2689 | 2.2705 | 1.2223 | 1.3325 | 1.2217 | 1.0605 | 0.9085 | 0.6823 | 0.9181 | 0.9841 | 0.8262 | 1.3837 | 0.9043 | 0.7635 | 1.0091 | 0.9015 | 0.9735 | 0.7960 | 1.0464 | 1.1055 | 1.7370 | 1.6458 | 1.0233 | 0.7900 | 1.0258 | 0.8852 |
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- | 2.1593 | NA | NA | NA | NA | NA | NA | 0.7917 | 1.0815 | NA | NA | 0.9865 | 1.0097 | 0.4342 | 1.7741 | NA | 0.4200 | NA | 0.6873 | 0.8009 | 1.4521 | 0.8306 | 1.1666 | 1.2561 | 0.7476 | 0.6374 | 1.2327 | 0.9395 | 1.4868 | 3.7781 | 0.8498 | 0.6776 | NA | 0.2469 |
3-METHYL-2-OXOPENTANOIC ACID (M-H)- | 0.8604 | NA | NA | 1.0218 | 1.0134 | 1.2093 | 0.8275 | 0.9926 | 1.3606 | 1.1539 | 0.8129 | 1.3177 | 1.0112 | 0.9857 | 1.1231 | 0.6630 | 0.8295 | 0.6577 | 1.4839 | 0.9562 | 0.8544 | 0.9837 | 1.0335 | 0.8017 | 1.0718 | 0.8474 | 0.9887 | 1.0393 | 0.7892 | 0.9349 | 1.0276 | 1.0111 | 1.1017 | 1.2017 |
3-METHYLXANTHINE (M-H)- | 0.3975 | 0.2245 | 0.6139 | NA | NA | NA | 3.8582 | 0.5563 | 0.5549 | NA | NA | 0.3484 | 0.3908 | 0.3013 | 0.3630 | 2.1618 | 0.7030 | 1.0957 | 1.3303 | 1.9267 | 0.7872 | 1.5338 | 0.4520 | 0.6870 | 2.9608 | 0.5174 | 0.4425 | 1.0923 | 2.5836 | 1.3795 | 1.4098 | 1.0443 | NA | 0.8276 |
4-ACETAMINOPHEN SULFATE (M-H)- | 0.0409 | NA | NA | NA | 0.1621 | NA | NA | 0.1232 | 0.0044 | 0.0076 | 0.2037 | NA | 0.1812 | 1.9015 | 2.1425 | NA | 0.0329 | 0.9411 | NA | 0.0397 | 0.8666 | 1.2201 | 1.1139 | 1.4779 | 1.6304 | 0.1531 | 1.7441 | 1.5724 | 0.2840 | 2.3103 | 0.9987 | 0.9402 | 0.4590 | 1.1367 |
4-METHYL-2-OXOPENTANOIC ACID (M-H)- | 0.9003 | NA | NA | 0.9258 | 0.9289 | 1.1613 | 0.8719 | 0.9724 | 1.3366 | 1.0372 | 0.7454 | 1.3368 | 1.0247 | 1.0952 | 1.1907 | 0.5532 | 0.8677 | 0.6807 | 1.5019 | 1.0234 | 0.8325 | 0.9368 | 1.1468 | 0.8278 | 1.0351 | 0.8458 | 0.9378 | 0.9995 | 0.7283 | 0.8379 | 1.0700 | 1.0295 | 0.9013 | 1.1369 |
4-PYRIDOXIC ACID (M-H)- | 0.3403 | 0.2662 | 0.2067 | 0.1684 | 0.2620 | 0.2244 | 0.3833 | 0.4015 | 0.1740 | 0.8741 | 4.1527 | 0.4315 | 0.7175 | 0.8206 | 0.5948 | 0.4805 | 0.2801 | 0.4067 | 0.5015 | 0.7458 | 0.3703 | 0.7362 | 1.8315 | 1.2275 | 0.5340 | 0.5487 | 1.2598 | 1.3546 | 5.0013 | 1.9662 | 0.9938 | 1.3136 | 0.5048 | 0.3627 |
5-HYDROXY OMEPRAZOLE (M-H)- | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.1858 | 0.4622 | NA | NA | NA | NA | 0.4446 | NA | 1.0401 | NA | NA | 0.5018 | NA | 2.1827 | NA | NA |
5-HYDROXYTRYPTOPHAN (M-H)- | 1.1272 | 0.5060 | 0.9311 | 0.6364 | 0.8451 | 0.6825 | 0.7872 | 0.9466 | 1.4055 | 1.5432 | 1.6330 | 0.9030 | 1.0258 | 0.8884 | 0.9728 | 0.9959 | 0.7779 | 1.0251 | 0.7315 | 0.8242 | 1.0088 | 0.8010 | 0.8268 | 1.7100 | 1.0329 | 1.0031 | 1.2601 | 0.9263 | 1.6488 | 1.0797 | 0.9533 | 0.9773 | 0.6729 | 0.8357 |
5^-METHYLTHIOADENOSINE (M+CL)- | NA | NA | NA | 0.7445 | NA | NA | 0.6573 | 0.6150 | 1.5574 | NA | NA | NA | NA | NA | 1.2280 | NA | 0.6151 | NA | NA | 1.0240 | 1.5597 | 0.7003 | 1.4453 | 0.8000 | 0.7931 | 1.5728 | 0.9059 | 1.1652 | NA | NA | 0.8387 | 1.1269 | 0.4628 | 1.1404 |
ACETAMINOPHEN (TN TYLENOL) (M-H)- | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.4676 | NA | NA | 0.1950 | NA | NA | 0.7572 | 0.8828 | 2.6976 | NA | 1.2728 | NA | 0.2202 | 0.5463 | NA | 1.0172 | 0.2644 | NA | 0.0799 | 1.4766 |
ADIPIC ACID (M-H)- | 0.9781 | 0.4686 | 0.7031 | 0.7359 | 0.4010 | 0.8775 | 0.8545 | 0.9970 | 0.5928 | 1.6359 | 0.6000 | 0.9709 | 0.4945 | 0.6589 | 0.6388 | 0.3407 | 0.6273 | 0.8349 | 0.6109 | 0.6479 | 0.8167 | 3.3387 | 0.7766 | 1.1669 | 0.8865 | 0.5296 | 0.7138 | 0.6493 | 2.2346 | 4.1107 | 0.9451 | 1.4206 | 0.9846 | 0.5685 |
ALPHA-HYDROXYISOBUTYRIC ACID (M-H)- | 0.6439 | 0.5234 | 1.8490 | NA | NA | NA | 0.2112 | 1.8228 | 0.5795 | 1.1760 | 0.2564 | 2.2151 | 0.8920 | 1.4248 | 1.1287 | 0.5253 | 0.8352 | 0.4240 | 1.4308 | 0.3024 | 1.0773 | 0.8882 | 1.2248 | 0.5910 | 1.3084 | 0.6879 | 1.5711 | 0.7077 | 1.1187 | 0.8032 | 1.2188 | 0.7065 | 1.0581 | 1.1549 |
ARACHIDIC ACID (M-H)- | 1.3876 | 0.6762 | 0.6870 | 1.0020 | 0.2492 | 0.9507 | 0.4686 | 1.2078 | 0.8040 | 0.8969 | 0.5786 | 1.4098 | 0.7008 | 1.5224 | 0.5816 | 0.3018 | 1.7650 | 0.7295 | 1.2140 | 0.5330 | 0.8164 | 0.6430 | 1.1847 | 0.7525 | 1.1117 | 0.9547 | 1.0230 | 0.6707 | 0.5842 | 0.9244 | 1.6032 | 0.8300 | 1.4046 | 0.9675 |
ARACHIDONIC ACID (M-H)- | 1.0047 | 0.5557 | 1.6987 | 2.0863 | 0.4152 | 1.7482 | 0.7450 | 1.4831 | 0.8655 | 1.0316 | 0.5755 | 1.4397 | 0.5425 | 1.6141 | 0.7442 | 0.5970 | 1.1575 | 1.2146 | 1.3281 | 0.6067 | 1.3434 | 0.8362 | 1.4285 | 0.6979 | 1.3239 | 0.7298 | 1.0838 | 0.6577 | 0.8607 | 0.5393 | 1.3850 | 0.6200 | 1.3711 | 1.1846 |
AZELAIC ACID (M-H)- | 0.6703 | 0.9188 | 0.5757 | 0.5413 | 0.9380 | 0.8274 | 21.6809 | 0.9425 | 0.4598 | 0.6436 | 1.0794 | 0.8734 | 0.8290 | 0.5270 | 0.7059 | 0.6772 | 0.8581 | 1.1389 | 0.6792 | 0.8893 | 0.8049 | 0.7547 | 0.6683 | 1.2507 | 0.6879 | 0.8311 | 0.8749 | 0.9473 | 0.6350 | 0.9202 | 0.7929 | 0.9306 | 0.7098 | 0.8154 |
BEHENIC ACID (M-H)- | 1.2741 | 0.9744 | 0.4724 | 0.6976 | 0.5702 | 0.6340 | 0.5648 | 0.8965 | 0.7725 | 0.4590 | 0.3710 | 1.0431 | 0.8441 | 1.2666 | 0.6120 | 0.4115 | 2.4843 | 0.6691 | 1.0396 | 0.5996 | 0.8117 | 0.8075 | 0.8248 | 0.9706 | 0.9498 | 1.3332 | 0.8431 | 0.7611 | 0.7588 | 1.2507 | 1.3589 | 0.8783 | 1.2074 | 0.7746 |
BILIVERDIN (M-H)- | NA | NA | NA | 1.2247 | 0.8556 | 0.6351 | 0.5212 | 1.0262 | 1.5697 | 0.8693 | 0.4654 | 1.2032 | 0.9332 | 1.4403 | 0.9277 | 0.6681 | 0.8780 | 0.9495 | 0.5560 | 0.7091 | 0.8551 | 0.4867 | 1.1091 | 0.7498 | 0.8517 | 0.8689 | 1.0883 | 0.8086 | 1.0342 | 0.7533 | 1.2127 | 1.3541 | 1.4495 | 1.0997 |
CHOLIC ACID (M+CL)- | 8.7020 | 0.4234 | NA | 0.1317 | 0.5035 | NA | NA | 0.4652 | 4.1863 | 0.0809 | 0.7739 | 1.1405 | 0.3867 | 1.0141 | 0.8106 | 0.5657 | 0.8199 | 0.1702 | 1.2159 | 0.6636 | 0.2610 | 0.3813 | 0.7408 | 0.6023 | 0.9242 | 0.8356 | 2.4425 | 2.3330 | 0.3643 | 1.9817 | 0.9129 | 0.5534 | 0.1757 | 0.1934 |
CHOLIC ACID (M-H)- | 5.9040 | 0.5134 | NA | 0.1103 | 0.5042 | NA | 0.0584 | 0.5262 | 2.0626 | 0.1577 | 1.5560 | 1.2001 | 0.3321 | 0.4483 | 1.0084 | 0.7502 | 1.3291 | 0.1821 | 1.0763 | 0.7264 | 0.2225 | 0.2885 | 0.6341 | 0.8393 | 1.1118 | 1.0393 | 1.8543 | 2.0449 | 0.2861 | 4.5301 | 0.7367 | 0.4825 | 0.1126 | 0.2294 |
CIS-11-EICOSENOIC ACID (M-H)- | 1.6055 | 0.4332 | 1.0919 | 1.6313 | 0.0724 | 2.4072 | 0.5794 | 1.5191 | 0.7516 | 1.5548 | 0.6127 | 1.9164 | 0.4492 | 2.0179 | 0.7036 | 0.2032 | 1.6784 | 0.8886 | 1.9349 | 0.5047 | 1.2662 | 0.5977 | 1.4783 | 0.5402 | 1.4278 | 0.7044 | 1.2209 | 0.5271 | 0.7313 | 0.6458 | 1.3759 | 0.4593 | 1.7489 | 0.8684 |
CIS-VACCENIC ACID (M-H)- | 1.2648 | 0.2950 | 2.2714 | 2.0227 | 0.0746 | 2.0756 | 0.6554 | 1.5268 | 0.6364 | 1.7720 | 0.5517 | 1.7959 | 0.4370 | 1.8825 | 0.6157 | 0.1940 | 1.4266 | 1.1219 | 1.4233 | 0.5262 | 1.3166 | 0.6455 | 1.6008 | 0.5569 | 1.4385 | 0.6162 | 1.1670 | 0.4606 | 0.9385 | 0.6198 | 1.5565 | 0.4888 | 1.4341 | 0.9467 |
CITRAMALIC ACID (M-H)- | NA | NA | NA | NA | NA | NA | NA | 0.2009 | NA | NA | NA | 0.5026 | 0.5721 | NA | NA | 0.3938 | 0.3612 | NA | 0.5132 | 0.3082 | 0.4355 | NA | 0.5408 | 0.7694 | 1.0741 | 0.1770 | 0.1821 | NA | 6.8518 | 3.6785 | 0.3397 | 0.8142 | NA | 0.7312 |
CITRIC ACID (M-H)- | 1.6160 | 0.6222 | 0.4630 | 1.8399 | 1.7384 | 0.3288 | 0.2921 | 1.4334 | 1.3917 | 1.7013 | 1.5745 | 0.8529 | 0.7089 | 0.4655 | 1.2714 | 0.5802 | 1.0760 | 1.0059 | 0.8476 | 0.9271 | 1.1585 | 1.2811 | 1.0148 | 0.8536 | 0.9105 | 1.1161 | 1.2165 | 0.9509 | 1.0679 | 1.1893 | 0.9136 | 0.8413 | 1.8569 | 0.8556 |
CORTISOL (M+CL)- | 1.4761 | 0.3026 | 2.8699 | 1.2283 | 0.4604 | 1.4344 | 0.6336 | 1.5908 | 1.5782 | 1.8609 | 0.7288 | 1.8071 | 0.7593 | 2.0521 | 0.9359 | 0.5107 | 0.8323 | 0.6058 | 1.1352 | 0.9874 | 0.8306 | 0.6190 | 1.1263 | 0.8807 | 0.8351 | 0.9691 | 1.0240 | 0.7790 | 0.5417 | 1.0502 | 1.3422 | 0.8544 | 0.6808 | 1.0053 |
CORTISONE (M+CL)- | 0.9961 | 0.4546 | 1.5726 | 1.4329 | 0.6756 | 1.4919 | 0.6638 | 1.2403 | 1.6575 | 0.8098 | 0.6619 | 1.2172 | 0.9234 | 1.2559 | 1.0928 | 0.6713 | 0.8472 | 0.7819 | 1.0108 | 1.1825 | 0.8943 | 0.7230 | 1.0063 | 1.0300 | 0.8725 | 1.0627 | 0.9816 | 0.9845 | 0.7553 | 1.0767 | 1.1229 | 1.0254 | 0.4690 | 0.9518 |
DEHYDROASCORBIC ACID (M-H)- | 1.1290 | 1.2465 | 0.7961 | 1.1780 | 1.2262 | 0.5523 | 0.1915 | 1.1169 | 0.9887 | 1.3048 | 1.5319 | 1.0691 | 1.0978 | 0.7218 | 0.9714 | 0.0913 | 1.0235 | 1.0146 | 1.1962 | 0.7496 | 1.0237 | 0.8030 | 1.0802 | 0.9615 | 1.0531 | 0.7893 | 1.2346 | 1.0054 | 1.2169 | 0.8490 | 1.1194 | 0.9108 | 1.0486 | 1.1394 |
DEHYDROEPIANDROSTERONE SULFATE (M-H)- | 0.5119 | 0.7924 | 0.5159 | NA | NA | NA | 0.3211 | 1.5212 | 0.1566 | 0.1063 | 0.0842 | 1.5542 | 0.9133 | 1.0576 | 2.3615 | 1.2428 | 1.0517 | 0.7751 | 1.4513 | 0.9817 | 0.5938 | 0.7410 | 1.2645 | 1.3788 | 0.6480 | 0.6846 | 0.9579 | 1.0009 | 0.6193 | 0.6623 | 1.2685 | 1.0981 | 0.2921 | 1.3933 |
DEOXYADENOSINE (M+CL)- | 1.0976 | NA | 2.2772 | 2.0980 | 0.9141 | 2.1827 | 0.6532 | 1.5030 | 1.0140 | 1.4191 | 0.4422 | 1.7005 | 1.0062 | 1.1960 | 0.6500 | 0.3574 | 1.0579 | 0.6862 | 1.3870 | 0.5772 | 0.9102 | 0.6762 | 1.5227 | 0.7749 | 1.1404 | 0.8139 | 1.0990 | 0.7786 | 0.9770 | 0.7318 | 1.1805 | 0.7095 | 1.1204 | 0.9817 |
DEOXYCHOLIC ACID (2M-H)- | 0.4689 | 0.5866 | NA | NA | 0.2148 | NA | 0.3153 | 0.1572 | 0.2594 | 0.1477 | 4.5940 | 0.5825 | 0.7593 | 0.2122 | 0.3775 | 0.1860 | 0.1975 | 0.5649 | 0.5709 | 0.5153 | 0.1338 | 0.2100 | 0.1804 | 0.1811 | 0.5593 | 0.5186 | 1.9132 | 5.5839 | 0.1450 | 0.9746 | 0.5617 | 0.9268 | 0.1800 | 0.1449 |
DEOXYCHOLIC ACID (M+CL)- | 0.7113 | 1.5352 | 0.1360 | 0.2681 | 0.7939 | 0.1463 | 1.0117 | 0.6193 | 0.5700 | 0.6436 | 3.9311 | 0.8803 | 1.2746 | 0.7282 | 1.0098 | 0.4428 | 0.6031 | 0.8356 | 0.6479 | 0.9131 | 0.5822 | 0.8321 | 0.4722 | 0.6892 | 0.9370 | 0.8873 | 1.3059 | 2.1266 | 0.4747 | 1.5159 | 0.8768 | 1.3183 | 0.3832 | 0.4549 |
DEOXYCHOLIC ACID (M-H)- | 0.4993 | 1.1140 | 0.1134 | 0.2615 | 0.9316 | NA | 1.2444 | 0.6892 | 0.4492 | 0.8277 | 5.1714 | 1.0980 | 1.5158 | 0.8628 | 1.1454 | 0.4877 | 0.7451 | 1.0477 | 0.9945 | 1.0158 | 0.6322 | 0.9511 | 0.4555 | 0.7558 | 0.9628 | 1.0738 | 1.4886 | 1.2198 | 0.5672 | 0.8243 | 0.8596 | 1.3613 | 0.3945 | 0.5649 |
DEOXYURIDINE (M+CL)- | NA | NA | NA | NA | NA | NA | NA | 0.8099 | NA | 0.9695 | 0.5757 | 1.3645 | 0.9760 | NA | 0.5773 | 1.0028 | 1.1227 | 1.0213 | 0.6266 | 0.3211 | 0.9471 | 0.7866 | 1.2696 | 0.8635 | 0.9602 | 1.0133 | 0.3036 | 0.9572 | 0.8818 | 0.9617 | 0.9649 | 1.1351 | 0.9836 | 1.5321 |
DOCOSAHEXAENOIC ACID (M-H)- | 1.0356 | 0.5755 | 1.1999 | 1.7548 | 0.1973 | 2.2525 | 0.9671 | 1.1377 | 0.7754 | 1.0686 | 0.7191 | 1.5546 | 0.5222 | 1.2327 | 0.7028 | 0.2778 | 1.0140 | 1.0037 | 1.8601 | 0.6888 | 1.1845 | 0.8066 | 1.4514 | 0.7836 | 1.3277 | 0.7226 | 1.1355 | 0.6203 | 0.9022 | 0.4977 | 1.4030 | 0.7154 | 1.3382 | 0.9375 |
DUMP (M-H)- | NA | NA | NA | 2.8601 | 0.7892 | NA | 0.3736 | 1.4704 | 0.8529 | 0.6514 | 1.3652 | 1.2606 | 0.5251 | NA | 1.6192 | NA | 1.0184 | 0.7394 | 0.7946 | 0.9204 | 2.4885 | 0.7810 | 1.5736 | 1.0714 | 0.4632 | 0.8962 | 0.9101 | 1.0059 | NA | 1.2384 | 0.6779 | 0.9437 | 0.4325 | 1.6342 |
EPIBRASSINOLIDE [ISTD] (M+CL)- | 0.9773 | 0.9845 | 0.9794 | 0.8769 | 1.0324 | 1.0792 | 0.9734 | 1.0174 | 0.9486 | 0.9435 | 1.0277 | 1.0231 | 0.9706 | 0.9774 | 1.0019 | 1.0554 | 1.0001 | 1.0229 | 1.0104 | 0.9799 | 1.0077 | 1.0074 | 0.9973 | 0.9568 | 1.0156 | 1.0232 | 0.9617 | 1.0071 | 1.0051 | 0.9963 | 0.9897 | 1.0166 | 0.9497 | 1.0092 |
ERUCIC ACID (M-H)- | 1.8110 | 0.4141 | 0.8048 | 1.0546 | 0.1427 | 1.2237 | 0.4731 | 1.2811 | 1.3640 | 0.9158 | 0.4713 | 1.4566 | 0.5565 | 1.5639 | 0.9997 | 0.1221 | 1.2241 | 0.6024 | 2.4102 | 0.6338 | 0.8720 | 0.8193 | 1.3124 | 0.6642 | 1.0864 | 0.9281 | 1.0851 | 0.7532 | 0.9371 | 0.7756 | 1.3362 | 0.6521 | 1.2384 | 0.9500 |
GERANYLGERANYL DIPHOSPHATE (M-H)- | 1.0036 | 1.1161 | 0.3733 | NA | NA | NA | 0.3033 | 1.8941 | 0.6365 | 1.0939 | 2.3818 | 1.2088 | 0.7834 | 1.2761 | 0.6224 | NA | 1.1609 | 1.0135 | 1.6094 | 0.6322 | 1.2825 | 0.5863 | 0.9859 | 0.6321 | 1.2258 | 0.7720 | 1.5565 | 0.9177 | 0.6549 | 0.5750 | 0.9910 | 0.7816 | 1.4829 | 0.9203 |
GLUCOSE (M+CL)- | 0.0217 | NA | 0.0888 | 6.8503 | 0.6622 | 0.0457 | 1.1806 | 0.5234 | 1.4725 | 0.0410 | 0.0317 | 1.0648 | 0.2003 | 0.0556 | 0.9294 | 0.0123 | 1.3862 | 6.2546 | 0.1724 | 1.3560 | 2.2694 | 0.7452 | 1.0855 | 0.9732 | 1.7562 | 0.3746 | 1.0658 | 0.9362 | 1.3288 | 0.7314 | 0.7562 | 0.6376 | 0.1046 | 0.2503 |
GLUTAMINE (M-H)- | 0.4278 | 0.7457 | 1.0524 | NA | 1.1446 | 0.4825 | 0.3500 | 0.6737 | 0.8917 | 0.6351 | 3.0962 | 0.7961 | 0.6367 | 0.7644 | 0.8467 | 0.6707 | 1.1117 | 2.6936 | 1.3028 | 1.7242 | 0.8563 | 1.2193 | 0.9742 | 1.0049 | 1.0295 | 0.9014 | 1.1238 | 0.7467 | 0.7964 | 0.8800 | 1.0088 | 1.1495 | 0.6079 | 0.9660 |
GLUTARIC ACID (M-H)- | NA | NA | NA | NA | NA | NA | NA | 2.6244 | 7.1003 | 0.1913 | 0.2123 | 0.6398 | 1.0179 | 0.4897 | 0.8547 | 2.5658 | 0.7402 | 1.0207 | 0.7425 | 1.1267 | 2.1094 | 1.1301 | 0.8121 | 0.6323 | 0.9592 | 1.0609 | 0.6580 | 0.9999 | 0.8724 | 3.2711 | 0.9724 | 0.7478 | 0.6705 | 1.4159 |
GLYCOCHOLIC ACID (2M-H)- | 1.5462 | 1.8849 | NA | NA | 0.4221 | NA | 0.3622 | NA | 4.2005 | NA | 0.2766 | 1.4450 | 1.7670 | NA | 0.1049 | NA | 0.6098 | 0.0870 | 0.3024 | NA | 0.6479 | 1.9307 | 1.3875 | 2.2833 | 0.5035 | 1.1401 | 0.7038 | 1.1181 | NA | 0.1756 | 0.5046 | 0.7167 | 1.2393 | 0.4720 |
GLYCOCHOLIC ACID (M-H)- | 1.6788 | 3.0620 | 0.0291 | 0.6952 | 1.4963 | 0.0295 | 0.6554 | 0.1576 | 4.2976 | 0.0149 | 1.2882 | 1.0298 | 2.3349 | 0.2383 | 0.4588 | 0.2173 | 0.5911 | 0.3284 | 0.6128 | 0.3563 | 1.1996 | 1.5054 | 0.6185 | 1.9928 | 0.9297 | 1.5051 | 0.6340 | 1.1301 | 0.2478 | 0.5619 | 0.5672 | 1.0499 | 1.0394 | 0.9912 |
GLYCOLITHOCHOLIC ACID (M-H)- | 0.8747 | 0.6927 | NA | NA | 1.6201 | NA | 1.7409 | 0.9520 | 1.3781 | NA | 0.7699 | 0.2522 | 2.0722 | 0.9358 | 0.5728 | NA | 0.5719 | 0.3498 | 0.5615 | NA | 0.4285 | 0.8870 | 0.4320 | 0.8182 | 0.7733 | 1.5580 | 1.0618 | 0.8088 | 0.5764 | 0.5355 | 1.6223 | 1.2665 | 2.1039 | 1.0237 |
HEPTADECANOIC ACID (M-H)- | 1.4915 | 0.5423 | 1.3224 | 1.3512 | 0.5043 | 1.2400 | 0.5371 | 1.2438 | 1.1360 | 2.5151 | 1.5151 | 1.5834 | 1.1300 | 1.8356 | 0.8604 | 0.6927 | 0.9979 | 0.9610 | 1.2824 | 0.8250 | 1.2523 | 0.8038 | 1.1466 | 0.7631 | 1.1954 | 0.6632 | 1.0558 | 0.7250 | 1.0137 | 1.4717 | 1.1061 | 0.7233 | 1.4206 | 0.9632 |
HEXACOSANOIC ACID (M-H)- | 1.1732 | 0.8373 | 0.4973 | 0.8232 | 0.5685 | 0.4601 | 0.4335 | 1.2448 | 1.0813 | 0.5580 | 0.9537 | 1.1635 | 0.8077 | 1.0578 | 0.9124 | NA | 2.0917 | 0.8099 | 1.1089 | 0.6064 | 0.8044 | 0.7815 | 0.6892 | 0.8665 | 0.8797 | 1.2665 | 0.7919 | 0.6738 | 0.5976 | 4.0046 | 1.1759 | 0.9325 | 0.6018 | 0.7152 |
HIPPURIC ACID (M-H)- | 0.2865 | 0.1396 | NA | 0.4014 | 1.5239 | 0.5123 | 0.5389 | 0.2261 | 0.2841 | 3.3317 | 11.1156 | 0.6342 | 0.8745 | 1.4368 | 1.1663 | 0.1677 | 0.5439 | 0.5803 | 0.4990 | 0.7883 | 1.0664 | 0.6008 | 0.3174 | 3.5077 | 0.7455 | 0.4439 | 2.2411 | 0.8577 | 4.7033 | 3.5648 | 0.6515 | 0.4144 | 0.2434 | 0.2655 |
HYODEOXYCHOLIC ACID (M-H)- | 0.7768 | NA | NA | NA | NA | NA | NA | 0.5334 | 0.9334 | NA | NA | 1.5740 | 0.7988 | 0.3266 | 0.8563 | 0.7075 | 0.3966 | NA | 0.5912 | 1.1187 | 0.6875 | 0.4904 | 0.3714 | 0.5865 | 0.6179 | 0.5821 | 0.5521 | 0.2747 | 1.0647 | 0.7541 | 0.9835 | 2.7382 | NA | 1.4647 |
HYPOXANTHINE (M-H)- | 1.2122 | 0.8143 | 0.1437 | 1.7287 | 2.1705 | 0.8424 | 0.7086 | 1.0173 | 1.2329 | 1.3769 | 0.5149 | 0.9014 | 0.6596 | 0.6728 | 0.5145 | 0.7005 | 0.9759 | 0.9408 | 0.7011 | 1.2798 | 1.0277 | 0.5377 | 1.4941 | 0.8727 | 1.0123 | 0.9473 | 1.1534 | 0.8795 | 0.9421 | 0.7486 | 1.2593 | 0.9284 | 0.5625 | 1.2854 |
IBUPROFEN CARBOXYLIC ACID (2M-H)- | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.3166 | NA | 1.3425 | NA | 0.0081 | 0.9916 | NA | NA | 0.8020 | 1.8805 | NA | 0.6412 | NA | 1.8730 | NA | NA | NA | NA | NA | NA |
IBUPROFEN CARBOXYLIC ACID (M+CL)- | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.1098 | NA | 0.0878 | 1.6596 | NA | NA | 1.0576 | NA | NA | 1.2508 | NA | 1.8026 | NA | 0.0317 | NA | NA | NA | NA |
IBUPROFEN CARBOXYLIC ACID (M-H)- | 0.0082 | NA | 0.0111 | NA | NA | NA | 0.0070 | 17.0099 | 0.0076 | 10.8256 | 0.1735 | 0.0500 | 0.0028 | 0.2127 | 0.3854 | NA | 2.0052 | 0.3797 | 0.1627 | 2.1321 | 0.0108 | 0.0052 | 0.9797 | 0.8794 | 0.0108 | 0.5257 | 0.0062 | 0.9847 | 0.0825 | 0.0919 | 0.4459 | 0.4181 | 0.0711 | 1.8296 |
IBUPROFEN (M-H)- | 0.0043 | NA | 0.0149 | NA | NA | NA | NA | 0.0144 | NA | NA | NA | 0.0156 | NA | NA | 0.5300 | NA | 1.9398 | NA | 0.0365 | 3.8623 | 0.0618 | 0.0041 | 0.1330 | 0.5227 | 0.0023 | 0.3153 | 0.0060 | 0.4569 | NA | 0.0051 | 2.2677 | 0.6509 | NA | 23.0400 |
INOSINE 5^-DIPHOSPHATE (M-H)- | 0.1640 | 1.0866 | 0.5635 | NA | NA | NA | NA | NA | NA | NA | NA | 0.6579 | NA | NA | 0.9747 | NA | 0.8821 | 1.1469 | 0.9795 | NA | 0.7703 | 1.3066 | 1.0441 | 0.7109 | 0.9650 | 0.9923 | 1.5902 | 1.1932 | NA | NA | 1.0172 | 1.0825 | NA | 0.7618 |
ISOCITRIC ACID (M-H)- | 0.2571 | 0.3205 | 0.2845 | 0.9903 | 3.6583 | 0.2672 | 0.0532 | 0.3857 | 1.2259 | 3.0183 | 4.7257 | 1.0447 | 0.7438 | 0.4495 | 1.4049 | 0.0427 | 1.0960 | 1.3548 | 0.8702 | 0.5146 | 0.9028 | 0.5485 | 1.0755 | 1.1624 | 1.0674 | 0.8622 | 1.4202 | 1.0125 | 1.0080 | 0.7914 | 1.0404 | 1.0516 | 1.4836 | 0.5178 |
ISOLEUCINE (M-H)- | 1.2437 | 1.9310 | 0.9457 | 0.6503 | 0.8466 | 0.7409 | 1.0693 | 0.4887 | 1.8434 | 0.2818 | 0.4914 | 0.7421 | 1.3915 | 0.8588 | 0.8865 | 0.7053 | 0.7275 | 0.9896 | 1.5617 | 1.1051 | 1.0892 | 0.8846 | 0.9711 | 1.0823 | 0.9413 | 0.9669 | 0.8479 | 0.8531 | 0.8982 | 1.2499 | 0.9077 | 1.1838 | 0.8917 | 1.1894 |
KYNURENIC ACID (M-H)- | 0.7542 | NA | NA | 0.5339 | 0.4130 | NA | 0.1981 | 0.4867 | 0.7290 | 0.9331 | 1.0906 | 0.6363 | 0.7020 | 0.5746 | 0.6054 | 0.3959 | 0.6738 | 0.4965 | 0.5361 | 0.6636 | 0.4263 | 0.6466 | 0.7075 | 2.7896 | 0.6826 | 0.6730 | 2.3539 | 0.7859 | 3.0689 | 5.2014 | 0.6171 | 0.6091 | 0.8142 | 0.7165 |
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- | 0.9422 | 1.0561 | 1.2748 | 0.8991 | 1.0573 | 0.1976 | 1.0701 | 0.4964 | 0.8238 | 0.7458 | 0.5896 | 1.0070 | 0.9689 | 1.0942 | 1.0077 | 1.0038 | 1.0317 | 0.9585 | 0.9169 | 0.9452 | 1.0341 | 1.0570 | 1.1002 | 1.1112 | 0.9851 | 1.1917 | 0.8713 | 1.0756 | 1.0019 | 0.9390 | 0.9051 | 1.0458 | 0.4095 | 0.8365 |
LAURIC ACID (M-H)- | 1.2341 | 0.7062 | 1.4578 | 0.7189 | 0.3556 | 1.1076 | 0.6104 | 0.9992 | 1.4545 | 1.5156 | 0.7430 | 1.1865 | 0.6753 | 1.4139 | 0.7445 | 0.6008 | 1.0613 | 1.3004 | 0.9877 | 0.9619 | 1.2400 | 0.7188 | 1.3561 | 0.7981 | 0.9437 | 0.7069 | 1.0639 | 0.9795 | 0.9488 | 0.6056 | 1.1991 | 1.0710 | 0.8269 | 0.7338 |
L-HISTIDINE (M-H)- | 0.9198 | 1.2648 | 0.8156 | 1.0404 | 1.4821 | 0.8316 | 0.6565 | 0.7926 | 1.0057 | 0.8552 | 1.3059 | 0.9392 | 1.0342 | 0.7399 | 1.0113 | 0.7939 | 0.8708 | 1.1599 | 1.0015 | 1.0683 | 1.0431 | 0.9245 | 0.9167 | 1.0664 | 0.9923 | 1.0710 | 1.0365 | 0.9129 | 0.9362 | 0.9886 | 1.0045 | 1.1143 | 0.7739 | 1.0258 |
LIGNOCERIC ACID (M-H)- | 1.1531 | 0.8318 | 0.6029 | 0.8678 | 0.6604 | 0.4795 | 0.5588 | 1.0490 | 0.7921 | 0.5978 | 0.6364 | 1.0490 | 0.8310 | 1.1502 | 0.7358 | 0.3232 | 2.3198 | 0.7383 | 1.1153 | 0.6152 | 0.8851 | 0.7882 | 0.8238 | 0.8871 | 0.8875 | 1.1638 | 0.8253 | 0.7881 | 0.5882 | 2.2039 | 1.3090 | 0.9400 | 0.7629 | 0.8265 |
LINOLEIC ACID (M-H)- | 1.2441 | 0.4297 | 2.0773 | 2.1731 | 0.1622 | 2.0831 | 0.7510 | 1.3972 | 0.5826 | 1.0623 | 0.4528 | 1.5637 | 0.4620 | 1.7218 | 0.5641 | 0.2731 | 1.3172 | 1.1777 | 1.2378 | 0.5836 | 1.2167 | 0.6306 | 1.5445 | 0.6629 | 1.4382 | 0.7295 | 1.1932 | 0.5800 | 0.8779 | 0.5618 | 1.5264 | 0.5375 | 1.4767 | 0.9381 |
L-TRYPTOPHAN-15N2 [ISTD] (M-H)- | 0.9662 | 0.9766 | 1.0252 | 1.0479 | 1.0392 | 1.0736 | 0.9957 | 0.9955 | 0.9409 | 0.9722 | 1.0242 | 0.9584 | 0.9983 | 0.9940 | 0.9533 | 1.0464 | 0.9781 | 1.0042 | 0.9821 | 0.9858 | 1.0141 | 0.9939 | 0.9674 | 0.9711 | 1.0135 | 1.0714 | 0.9816 | 0.9927 | 0.9822 | 0.9401 | 1.0101 | 1.0102 | 1.0281 | 1.0074 |
LYSINE (M-H)- | 0.4704 | NA | NA | NA | 1.1791 | 0.5891 | NA | 0.6630 | 0.4927 | NA | NA | 0.7484 | 1.3592 | 1.8559 | 1.0946 | NA | 0.6280 | NA | 0.4327 | 0.9026 | 1.0267 | 1.1281 | 0.7528 | 1.1198 | 1.0103 | 0.7983 | 0.9456 | 1.1653 | NA | 2.0071 | 1.0170 | 1.2542 | 0.9170 | 0.8351 |
MALIC ACID (M-H)- | 0.5632 | 0.7046 | 0.6575 | 1.0540 | 1.6665 | 0.4168 | 0.2039 | 0.9554 | 0.9139 | NA | NA | 1.1626 | 0.6842 | 0.7947 | 1.1916 | 0.1289 | 0.6727 | 0.8154 | 1.3561 | 0.7560 | 1.1070 | 1.1490 | 1.1586 | 0.8397 | 0.9116 | 0.9192 | 1.1423 | 0.9030 | 1.1777 | 0.8320 | 1.1829 | 0.9848 | 0.8620 | 1.3136 |
MANDELIC ACID (M-H)- | NA | NA | NA | NA | 0.5485 | NA | 0.5688 | 0.4302 | NA | NA | NA | 0.6602 | 1.0504 | NA | 0.5816 | NA | NA | NA | 0.6271 | 1.1235 | NA | 1.0065 | 1.5110 | 0.9887 | 0.4796 | 0.3407 | 1.4503 | 0.9307 | 2.4803 | 5.9028 | 0.6647 | 0.6693 | NA | 0.4481 |
MEVALONIC ACID (M-H)- | NA | NA | NA | NA | NA | NA | NA | 0.3503 | NA | NA | NA | NA | 1.1711 | NA | 0.0685 | NA | NA | NA | 1.1728 | NA | NA | NA | 0.7235 | 2.3584 | NA | 0.7356 | NA | 0.7007 | 1.4872 | 1.0952 | 0.5033 | 1.5129 | NA | 0.8977 |
MYRISTIC ACID (M-H)- | 1.1517 | 0.5045 | 2.0925 | 1.3187 | 0.5094 | 1.1848 | 0.5871 | 1.3763 | 0.9927 | 2.1366 | 0.9967 | 1.4218 | 0.8350 | 1.7243 | 0.7906 | 0.6157 | 1.0414 | 1.1113 | 1.2702 | 0.7359 | 1.1889 | 0.7450 | 1.4072 | 0.7891 | 1.1040 | 0.6629 | 1.1353 | 0.6798 | 1.0381 | 1.0877 | 1.3092 | 0.7503 | 1.0088 | 0.8695 |
MYRISTOLEIC ACID (M-H)- | 1.4094 | 0.4151 | 2.9498 | 1.0312 | 0.0871 | 0.9504 | 0.4771 | 1.7524 | 1.0794 | 2.5350 | 1.0166 | 1.3561 | 0.4985 | 1.7767 | 0.7340 | 0.4018 | 1.1685 | 1.2541 | 1.6582 | 0.4025 | 1.6284 | 0.8320 | 1.6470 | 0.7901 | 1.1680 | 0.6365 | 1.1028 | 0.4749 | 1.1856 | 1.2646 | 1.2806 | 0.5456 | 0.6991 | 0.6376 |
N-ACETYL-DL-METHIONINE (M-H)- | 1.1513 | 0.8313 | 1.0909 | 0.7829 | 0.8809 | 0.9182 | 0.7759 | 0.8215 | 0.9386 | 1.4993 | 1.7428 | 1.1616 | 0.9005 | 0.8586 | 0.8815 | NA | 0.8317 | 0.7068 | 0.8261 | 0.7325 | 0.7773 | 0.9093 | 1.0232 | 1.2905 | 0.9417 | 0.8724 | 1.3119 | 0.9432 | 2.1552 | 2.1790 | 0.8878 | 0.9032 | 0.9849 | 1.1223 |
N-ACETYL-D-TRYPTOPHAN (M-H)- | 1.3045 | 1.4447 | 0.8778 | 0.5217 | 0.8540 | NA | 0.5723 | 0.7358 | 0.4894 | 0.4585 | 1.2762 | 1.0269 | 0.8690 | 0.8795 | 0.9097 | 1.0397 | 0.6229 | 0.7290 | 1.2084 | 0.7411 | 0.7934 | 0.8270 | 1.0966 | 1.9566 | 0.8156 | 0.8665 | 1.6628 | 1.1215 | 1.5570 | 1.6560 | 0.7374 | 0.8851 | 0.5425 | 0.8393 |
N-ACETYLGLYCINE (M-H)- | 0.0434 | 0.6031 | 0.3640 | 0.8707 | 1.2295 | NA | 0.6623 | 1.0923 | 1.8694 | NA | NA | 1.1291 | 0.9735 | NA | 1.3462 | 0.5926 | 0.9954 | 0.7301 | 0.7254 | 1.1238 | 0.5858 | 1.1163 | 0.9626 | 1.1521 | 1.2017 | 1.2255 | 1.1650 | 1.1044 | 1.0529 | 1.0833 | 0.7439 | 0.7386 | 1.6010 | 1.5470 |
N-ACETYL-L-ALANINE (M-H)- | 1.1331 | 0.9000 | 1.0588 | 1.1601 | 0.9694 | 0.9276 | 0.7268 | 0.8757 | 1.0954 | 1.3969 | 1.2223 | 1.3352 | 0.9227 | 0.8983 | 1.0604 | 0.5882 | 0.8860 | 1.0042 | 0.9396 | 1.0293 | 1.0852 | 1.0957 | 0.9539 | 0.9077 | 1.0966 | 0.8703 | 1.0872 | 0.9967 | 1.1497 | 1.2416 | 0.9723 | 0.8923 | 1.4088 | 1.2065 |
N-ACETYL-L-PHENYLALANINE (M-H)- | NA | NA | NA | NA | NA | NA | NA | NA | 0.9712 | NA | NA | 1.6054 | 1.2966 | 1.4286 | NA | NA | 0.5522 | NA | 1.1923 | 0.7219 | NA | 0.6826 | NA | 0.6890 | 0.8177 | 0.5748 | 0.9358 | 0.6504 | NA | 1.4861 | 0.8642 | 1.2807 | NA | NA |
NAPROXEN (M-H)- | NA | 2.7941 | NA | NA | NA | 0.1896 | NA | NA | 0.5899 | NA | NA | 0.3352 | 4.5405 | NA | NA | NA | NA | NA | NA | NA | 0.6136 | NA | NA | NA | 0.8949 | 1.2323 | 0.0400 | NA | NA | NA | 0.1214 | 0.6764 | NA | 1.0117 |
NERVONIC ACID (M-H)- | 1.2522 | 0.7094 | 0.7904 | 1.1534 | 0.3435 | 1.1839 | 0.5259 | 1.2796 | 1.2935 | 1.2394 | 0.8714 | 1.4562 | 0.8031 | 1.3788 | 0.9337 | 0.2512 | 1.0802 | 0.7076 | 1.5502 | 0.6898 | 0.9919 | 0.8457 | 1.1270 | 0.6721 | 1.1456 | 0.8889 | 1.0310 | 0.7649 | 1.1846 | 0.9299 | 1.2984 | 0.8597 | 1.4129 | 0.9183 |
N-ETHYLMALEIMIDE (M-H)- | 0.7846 | NA | NA | NA | NA | NA | NA | NA | 1.0017 | NA | NA | NA | 1.2979 | 1.4454 | NA | NA | NA | NA | NA | 1.1970 | NA | NA | 0.0835 | NA | 1.1977 | NA | 1.5302 | 0.6145 | NA | NA | 0.9301 | 1.0025 | NA | NA |
OXALIC ACID (M-H)- | NA | NA | NA | NA | NA | 0.3902 | 0.2388 | 0.6439 | 0.9592 | NA | NA | 0.9798 | NA | NA | 0.5253 | NA | 0.8264 | NA | 1.4398 | 1.2330 | NA | NA | 0.6665 | 1.1643 | 0.3130 | 1.3923 | 0.9387 | 1.5030 | NA | NA | 1.3246 | 0.8277 | 0.2362 | 0.8792 |
OXALOACETIC ACID (M-H)-[-H2O] | 0.9989 | 0.9960 | 1.0766 | 1.0623 | 1.0059 | 0.7959 | 1.5948 | 1.0468 | 0.9645 | 1.0840 | 1.0592 | 1.0128 | 0.9945 | 0.9834 | 0.9912 | 0.8998 | 1.0089 | 1.0311 | 0.9659 | 0.9749 | 0.9586 | 0.9550 | 0.9972 | 0.9671 | 0.9704 | 0.9874 | 1.0436 | 1.0006 | 0.9457 | 1.0179 | 0.9937 | 1.0102 | 1.0290 | 0.9984 |
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M-H)- | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.0224 | NA | 0.0071 | 0.3324 | 1.8557 | NA | NA | 0.1632 | NA | NA | 1.2590 | 1.3481 | 1.5236 | 2.8501 | 0.7277 | 0.0058 | 0.7272 | 3.1318 | 0.0394 | 0.8223 | 0.6250 | 0.6760 | 0.0427 | 0.6171 |
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)- | 0.0472 | NA | NA | NA | 0.0469 | NA | NA | 0.0499 | NA | NA | 0.1787 | NA | 0.1644 | 1.4118 | 2.0518 | NA | 0.0441 | 0.4614 | NA | 0.0130 | 1.2511 | 1.9865 | 1.6016 | 1.5906 | 1.1492 | 0.0658 | 0.8196 | 1.5957 | 0.2505 | 1.5552 | 0.5127 | 0.8299 | 0.3311 | 1.0596 |
PALMITIC ACID (M-H)- | 1.1976 | 0.3201 | 2.2714 | 2.2512 | 0.1484 | 2.1348 | 0.6324 | 1.5897 | 0.6504 | 1.9642 | 0.6372 | 1.8321 | 0.4697 | 1.8985 | 0.5821 | 0.2272 | 1.2076 | 1.0842 | 1.4797 | 0.5017 | 1.3330 | 0.6208 | 1.6056 | 0.5585 | 1.3285 | 0.5807 | 1.2657 | 0.4459 | 0.8803 | 0.6599 | 1.6255 | 0.4917 | 1.3665 | 0.9976 |
PALMITOLEIC ACID (M-H)- | 1.2098 | 0.3681 | 2.4247 | 1.0974 | 0.1255 | 1.3448 | 0.5476 | 1.5497 | 0.8335 | 2.1742 | 0.7815 | 1.6377 | 0.5128 | 1.9943 | 0.7794 | 0.3338 | 1.2468 | 1.2775 | 1.6058 | 0.5615 | 1.5421 | 0.7660 | 1.5180 | 0.6467 | 1.3383 | 0.6160 | 1.2001 | 0.5059 | 1.0398 | 1.4004 | 1.3214 | 0.4843 | 0.9753 | 0.8255 |
PANTOTHENIC ACID (M-H)- | 0.7424 | 0.7956 | 0.6594 | 0.6586 | 0.5718 | 0.4849 | 0.7866 | 0.6919 | 0.4926 | 1.2878 | 1.5278 | 1.5246 | 1.0501 | 1.1369 | 0.9936 | 0.6687 | 0.6350 | 0.6799 | 1.0965 | 0.9937 | 0.8849 | 1.0076 | 1.0236 | 1.0027 | 1.2785 | 0.9106 | 0.8921 | 0.9856 | 1.1300 | 1.3581 | 1.2489 | 0.8897 | 1.2125 | 0.8047 |
PHENYLALANINE (M-H)- | 1.0355 | 1.0777 | 1.1130 | 0.9165 | 1.3770 | 1.0044 | 1.2375 | 0.9312 | 0.9604 | 1.0425 | 1.1606 | 0.8963 | 0.9899 | 0.9441 | 0.9333 | 0.7612 | 0.9468 | 0.9429 | 0.9773 | 0.8808 | 1.0312 | 1.1208 | 1.0116 | 0.9999 | 0.9652 | 1.0731 | 0.9364 | 0.9736 | 0.8601 | 1.0842 | 0.9870 | 1.0538 | 1.0167 | 0.9730 |
PHYTANIC ACID (M-H)- | 1.4816 | 0.3995 | 0.9619 | 1.0462 | 0.3515 | 1.2472 | 0.7120 | 2.2102 | 1.6271 | 3.2083 | 1.6898 | 1.5830 | 1.0510 | 1.1882 | 0.9575 | 0.7829 | 0.9523 | 0.6910 | 1.5511 | 0.7805 | 1.0373 | 0.7644 | 1.1917 | 0.6969 | 1.1560 | 0.7204 | 1.0991 | 0.8010 | 0.8295 | 0.7388 | 1.1738 | 0.7412 | 1.2026 | 0.9083 |
PYRUVIC ACID (M-H)- | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.2951 | NA | 0.3503 | 0.9173 | 0.5524 | NA | 0.2003 | NA | 1.1035 | 0.2421 | 0.7288 | 0.2965 | 6.0318 | 1.7622 | 0.6905 | 1.0658 | 0.8220 | 0.8794 | 0.5089 | 1.1211 | NA | 0.1034 |
SALICYLATE #2 (M-H)- | 0.0620 | NA | NA | 0.3726 | 1.0437 | 0.0655 | 0.1370 | 0.1892 | 0.5425 | 11.5946 | 0.1619 | 0.7108 | 2.1777 | 8.9090 | 0.1617 | 0.0307 | 0.6407 | 0.1367 | 1.0516 | 0.1437 | 0.1194 | 0.1124 | 0.1047 | 0.0876 | 0.0876 | 0.1559 | 0.8264 | 4.3555 | 0.0577 | 0.1022 | 1.8680 | 0.4852 | 3.6268 | 0.0955 |
SALICYLURIC ACID (M-H)- | NA | 0.0563 | 0.0618 | 0.1133 | 0.5344 | NA | NA | 0.1606 | 0.3786 | 2.3379 | 0.0198 | 0.3027 | 0.9793 | 1.2703 | 0.2644 | NA | 0.4314 | 0.0291 | 1.1093 | 0.1307 | 0.0203 | 0.0317 | 0.0647 | 1.2701 | 0.0289 | 0.0600 | 0.8502 | 6.5576 | 0.1627 | 0.4308 | 1.0610 | 0.4842 | 1.1737 | 0.0933 |
SEBACIC ACID (M-H)- | 0.9742 | 0.9393 | 0.8883 | 0.8926 | 0.6228 | 0.9649 | 7.5125 | 1.0152 | 0.9319 | 2.9574 | 0.8534 | 1.4215 | 0.7548 | 1.5517 | 0.8329 | 0.5635 | 0.8814 | 0.8905 | 0.8121 | 0.7226 | 0.9336 | 0.6094 | 1.1392 | 0.9571 | 0.9155 | 0.7243 | 0.8818 | 0.7467 | 0.9560 | 0.9462 | 1.5751 | 0.7874 | 0.6860 | 0.7419 |
STEARIC ACID (M-H)- | 1.2605 | 0.6774 | 1.1276 | 1.5334 | 0.3712 | 1.4194 | 0.5152 | 1.3332 | 0.8778 | 1.2676 | 0.9640 | 1.5007 | 0.7443 | 1.6420 | 0.7424 | 0.4428 | 1.1911 | 0.8494 | 1.3467 | 0.6336 | 1.0685 | 0.7607 | 1.2828 | 0.6859 | 1.2730 | 0.7528 | 1.1600 | 0.6374 | 0.8786 | 0.5981 | 1.5514 | 0.7235 | 1.2284 | 0.9751 |
SUBERIC ACID (M-H)- | 0.9863 | NA | 0.7713 | 0.7185 | 0.7866 | 0.7145 | 4.7091 | 1.4057 | 0.7025 | 1.2307 | 0.6190 | 0.9641 | 0.7744 | 0.7268 | 0.7342 | 0.3967 | 0.8236 | 1.1909 | 0.7518 | 0.7416 | 1.2610 | 0.6203 | 0.8125 | 1.8023 | 0.8188 | 0.7550 | 1.0150 | 0.8402 | 1.4162 | 2.7862 | 0.8704 | 1.0340 | 0.8337 | 0.6352 |
SUCCINIC ACID (M-H)- | 1.1744 | 1.0469 | 0.6209 | 0.5680 | 1.3390 | 0.9481 | 1.1929 | 0.8758 | 1.2987 | 1.0849 | 1.3325 | 0.9766 | 1.0711 | 1.0143 | 0.9751 | 0.9387 | 0.9481 | 1.1817 | 0.7148 | 0.9901 | 1.0948 | 1.0070 | 0.8917 | 0.9254 | 0.9959 | 1.0655 | 0.9307 | 1.0505 | 1.0009 | 1.2993 | 0.9847 | 1.0380 | 0.8110 | 0.7640 |
TAUROLITHOCHOLIC ACID (M-H)- | 0.4929 | 0.6014 | 1.6800 | 1.0230 | 1.2316 | 0.9936 | 0.7556 | 1.1265 | 1.6605 | NA | 3.0146 | 1.0216 | 0.7189 | 0.7302 | 0.9292 | NA | 1.0308 | 0.8952 | 1.0157 | 1.3072 | 1.0649 | 0.8687 | 1.0179 | 0.8813 | 0.9154 | 0.8879 | 0.9650 | 0.9884 | NA | 1.0932 | 1.0678 | 0.9820 | 2.5156 | 0.8394 |
THEOPHYLLINE (M-H)- | 0.9655 | 0.9779 | 2.4659 | 1.7564 | 1.6971 | 0.0940 | 1.0787 | 1.3085 | 0.5466 | 2.1507 | 3.1285 | 0.7425 | 0.7592 | 0.5819 | 1.2505 | 0.8530 | 0.5535 | 1.1845 | 0.8672 | 1.4270 | 0.7526 | 1.1514 | 1.5255 | 1.0511 | 1.2302 | 0.5520 | 1.3169 | 1.2187 | 0.8610 | 0.8233 | 0.8860 | 0.7922 | 0.9301 | 1.3023 |
THYROXINE (M-H)- | 1.0100 | 1.1216 | 1.2467 | 1.1272 | 1.0856 | 0.9960 | 0.9513 | 0.9734 | 1.2308 | 0.5428 | 0.6302 | 1.0043 | 1.0755 | 0.8229 | 1.0071 | 1.0771 | 0.8513 | 0.8696 | 0.9125 | 0.8191 | 0.9631 | 0.9440 | 0.9992 | 0.9701 | 1.1071 | 1.1367 | 0.9965 | 1.0099 | 0.8534 | 0.9374 | 1.0395 | 1.0036 | 0.9174 | 0.9140 |
TRANS-ACONITIC ACID (M-H)- | 0.8865 | NA | NA | 1.2556 | 1.0436 | 0.9774 | 0.7959 | 1.1951 | 0.9682 | 1.0442 | 0.9961 | 1.2528 | 0.9714 | 1.0416 | 1.0705 | 0.8924 | 1.0257 | 0.9910 | 0.9405 | 0.7277 | 0.7387 | 0.8036 | 1.0741 | 1.0302 | 0.9823 | 0.8000 | 1.0380 | 0.8499 | 1.5586 | 1.2700 | 1.1700 | 0.8663 | 1.4284 | 1.0721 |
TRICOSANOIC ACID (M-H)- | 1.2780 | 0.7773 | 0.6292 | 0.7477 | NA | NA | 0.6843 | 1.5566 | 1.1257 | NA | NA | 1.1559 | 0.8405 | 1.0639 | 0.6687 | NA | 1.2720 | 0.8144 | 1.0770 | 0.9489 | 1.0068 | 0.7842 | 0.7583 | 0.8672 | 1.0659 | 1.0173 | 1.0603 | 0.8609 | 0.6596 | 0.6139 | 1.2106 | 1.2376 | 0.8220 | NA |
TRIDECANOIC ACID (M-H)- | 0.8111 | NA | 0.9103 | 0.8065 | 0.5863 | 0.9124 | 0.5756 | 1.5333 | 0.8955 | NA | NA | 0.9619 | 0.9509 | 1.3711 | 0.7162 | NA | 1.4526 | 0.7304 | 1.0233 | 1.1581 | 0.7781 | 0.7491 | 1.0939 | 1.1844 | 1.3235 | 0.8918 | 1.1407 | 0.8407 | NA | 0.8662 | 1.0725 | 0.9249 | 1.6944 | 0.7795 |
TRYPTOPHAN (2M-H)- | 0.8017 | 0.5459 | 0.6220 | 0.7291 | 1.6210 | 0.5649 | 1.1120 | 0.8539 | 0.8857 | 0.6627 | 1.2534 | 0.7478 | 1.0879 | 0.7176 | 1.0866 | 1.4752 | 0.7633 | 0.9187 | 1.0329 | 1.0558 | 0.9140 | 1.2955 | 0.9302 | 0.9419 | 0.9355 | 1.1369 | 0.7994 | 1.1306 | 0.6700 | 1.1540 | 0.8852 | 1.1829 | 0.7644 | 1.2005 |
TRYPTOPHAN (M-H)- | 0.8800 | 0.6993 | 0.7677 | 0.8423 | 1.3659 | 0.7458 | 1.0970 | 0.9014 | 0.9408 | 0.7932 | 1.1635 | 0.8355 | 1.0583 | 0.8050 | 1.0481 | 1.3207 | 0.8422 | 0.9570 | 1.0232 | 1.0457 | 0.9503 | 1.1846 | 0.9508 | 0.9573 | 0.9589 | 1.0875 | 0.8663 | 1.0864 | 0.7820 | 1.0767 | 0.9307 | 1.1231 | 0.8479 | 1.1170 |
TYROSINE (M-H)- | 0.9894 | 1.3742 | 0.6925 | 0.9098 | 1.6555 | 0.5820 | 1.3371 | 0.8607 | 0.7932 | 0.6196 | 0.7941 | 0.7298 | 1.2085 | 0.9560 | 1.0398 | 0.9914 | 0.9814 | 0.9308 | 0.9539 | 1.1379 | 0.9926 | 1.2755 | 0.8425 | 0.9810 | 0.8654 | 1.0929 | 0.8880 | 1.1245 | 0.8372 | 1.0691 | 0.8780 | 1.0995 | 0.9257 | 1.1518 |
URIC ACID (M-H)- | 0.9166 | 0.1746 | 0.3892 | 1.5564 | 1.6256 | NA | 0.8988 | 1.2221 | 1.5162 | 1.1473 | 2.9596 | 0.9777 | 0.8766 | 0.3226 | 1.8497 | 0.3807 | 1.0811 | 1.3611 | 0.9388 | 0.6420 | 0.9816 | 0.8900 | 1.0499 | 0.7808 | 0.7819 | 0.9567 | 1.1933 | 1.1357 | 0.6567 | 1.2310 | 0.9394 | 0.8487 | 1.5667 | 1.1993 |
URIDINE (M+CL)- | 0.7622 | 0.9266 | 0.9432 | 0.6660 | 1.3480 | 1.4721 | 1.1200 | 0.8785 | 0.9459 | 0.8499 | 1.0670 | 0.9969 | 1.2164 | 1.2013 | 0.9384 | 0.6912 | 0.8448 | 1.0799 | 1.2402 | 1.2570 | 0.9615 | 0.8422 | 1.0501 | 1.0859 | 0.9534 | 0.9875 | 1.0168 | 0.8567 | 0.7137 | 0.8860 | 1.0041 | 1.0084 | 1.0293 | 1.2497 |
URIDINE (M-H)- | 0.9516 | 0.5668 | 0.4561 | 0.3457 | 0.6724 | 1.4491 | 1.0510 | 1.4703 | 7.1366 | 0.4405 | 3.8575 | 1.0412 | 1.1806 | 0.7996 | 1.1944 | 0.6090 | 0.6793 | 0.7352 | 2.0622 | 0.8032 | 0.6550 | 0.7581 | 0.8106 | 0.8858 | 0.8387 | 0.8013 | 1.4163 | 0.5574 | 0.7810 | 0.6857 | 1.2761 | 1.2739 | 0.9625 | 0.7600 |
VALINE (M-H)- | 1.0836 | NA | NA | NA | NA | NA | NA | 0.6512 | 0.5861 | 0.8003 | 0.7416 | 0.6377 | 1.1667 | 1.0817 | 0.5840 | 0.8319 | 0.8869 | 1.1418 | 1.3314 | 1.3330 | 1.4099 | 1.3865 | 1.1216 | 0.9617 | 0.9010 | 0.8267 | 0.9117 | 1.1999 | 0.6701 | 0.9406 | 1.0168 | 1.0773 | 0.3924 | 1.2853 |
XANTHINE (M-H)- | 0.5533 | 0.6305 | 1.5268 | 0.8807 | 0.4023 | 1.6106 | 1.2586 | 1.2155 | 0.5834 | 0.7436 | 0.6220 | 1.1717 | 0.6036 | 0.9168 | 0.6297 | 0.5173 | 0.8507 | 0.8185 | 1.2405 | 0.7403 | 0.9518 | 0.5494 | 1.5248 | 0.7646 | 0.9870 | 0.7661 | 1.0284 | 0.7393 | 0.8644 | 0.5412 | 2.1812 | 0.6951 | 0.7785 | 0.8096 |
ZEATIN [ISTD] (M+CL)- | 0.9917 | 0.9572 | 1.0895 | 1.0520 | 1.0814 | 1.0302 | 1.0379 | 1.0761 | 0.9715 | 0.9767 | 0.8356 | 1.0309 | 1.0219 | 0.9359 | 1.0197 | 1.0946 | 0.9743 | 1.0351 | 0.9805 | 0.8957 | 1.0178 | 1.0173 | 1.0104 | 0.9414 | 1.0299 | 1.0559 | 0.9364 | 0.9703 | 1.0297 | 1.0093 | 0.9911 | 1.0003 | 0.9713 | 0.9975 |
ZEATIN [ISTD] (M-H)- | 1.0111 | 1.0515 | 1.0557 | 1.0949 | 1.0874 | 1.0594 | 1.0653 | 1.0704 | 1.0045 | 0.9615 | 0.8697 | 1.0501 | 1.0127 | 1.0287 | 0.9982 | 1.1229 | 1.0254 | 1.0256 | 0.9497 | 0.9000 | 1.0383 | 0.9869 | 1.0052 | 0.9456 | 1.0478 | 1.0647 | 0.9338 | 0.9582 | 0.9647 | 0.8784 | 0.9959 | 1.0072 | 0.9002 | 1.0114 |
Factors:
F1 | CT findings:Abnormal only | GOSE:4 | Gender:Male | Injury:1 month |
F2 | CT findings:Abnormal only | GOSE:4 | Gender:Male | Injury:3 months |
F3 | CT findings:Abnormal only | GOSE:5 | Gender:Female | Injury:1 month |
F4 | CT findings:Abnormal only | GOSE:5 | Gender:Male | Injury:1 month |
F5 | CT findings:Abnormal only | GOSE:5 | Gender:Male | Injury:3 months |
F6 | CT findings:Abnormal only | GOSE:6 | Gender:Female | Injury:1 month |
F7 | CT findings:Abnormal only | GOSE:6 | Gender:Female | Injury:3 months |
F8 | CT findings:Abnormal only | GOSE:6 | Gender:Male | Injury:1 month |
F9 | CT findings:Abnormal only | GOSE:6 | Gender:Male | Injury:3 months |
F10 | CT findings:Abnormal only | GOSE:7 | Gender:Female | Injury:1 month |
F11 | CT findings:Abnormal only | GOSE:7 | Gender:Female | Injury:3 months |
F12 | CT findings:Abnormal only | GOSE:7 | Gender:Male | Injury:1 month |
F13 | CT findings:Abnormal only | GOSE:7 | Gender:Male | Injury:3 months |
F14 | CT findings:Abnormal only | GOSE:8 | Gender:Male | Injury:1 month |
F15 | CT findings:Abnormal only | GOSE:8 | Gender:Male | Injury:3 months |
F16 | CT findings:Normal | GOSE:4 | Gender:Male | Injury:3 months |
F17 | CT findings:Normal | GOSE:5 | Gender:Female | Injury:1 month |
F18 | CT findings:Normal | GOSE:5 | Gender:Female | Injury:3 months |
F19 | CT findings:Normal | GOSE:5 | Gender:Male | Injury:1 month |
F20 | CT findings:Normal | GOSE:5 | Gender:Male | Injury:3 months |
F21 | CT findings:Normal | GOSE:6 | Gender:Female | Injury:1 month |
F22 | CT findings:Normal | GOSE:6 | Gender:Female | Injury:3 months |
F23 | CT findings:Normal | GOSE:6 | Gender:Male | Injury:1 month |
F24 | CT findings:Normal | GOSE:6 | Gender:Male | Injury:3 months |
F25 | CT findings:Normal | GOSE:7 | Gender:Female | Injury:1 month |
F26 | CT findings:Normal | GOSE:7 | Gender:Female | Injury:3 months |
F27 | CT findings:Normal | GOSE:7 | Gender:Male | Injury:1 month |
F28 | CT findings:Normal | GOSE:7 | Gender:Male | Injury:3 months |
F29 | CT findings:Normal | GOSE:8 | Gender:Female | Injury:1 month |
F30 | CT findings:Normal | GOSE:8 | Gender:Female | Injury:3 months |
F31 | CT findings:Normal | GOSE:8 | Gender:Male | Injury:1 month |
F32 | CT findings:Normal | GOSE:8 | Gender:Male | Injury:3 months |
F33 | CT findings:Normal | GOSE:NA | Gender:Female | Injury:1 month |
F34 | CT findings:Normal | GOSE:NA | Gender:Male | Injury:1 month |