Metabolite_name RefMet_name S00014321 S00014322 S00014323 S00014324 S00014325 S00014326 S00014327 S00014328 S00014329 S00014330 S00014331 S00014332 S00014333 S00014334 S00014335 S00014336 Factors - Progression:Y Progression:Y Progression:Y Progression:Y Progression:Y Progression:Y Progression:Y Progression:Y Progression:Y Progression:Y Progression:Y Progression:Y Progression:Y Progression:Y Progression:Y Progression:Y 3-DEHYDROXYCARNITINE 3-Dehydroxycarnitine 17.0382 17.5919 17.2568 16.9564 16.9177 16.1892 18.0395 16.8945 16.9633 16.6958 17.6376 17.2065 16.5265 13.8903 17.4665 4-METHYL-2-OXOPENTANOATE (2M+H) Ketoleucine 17.2509 17.2651 17.3098 17.4900 17.8319 17.1689 17.6535 17.7839 17.9257 17.2357 17.5016 17.1938 17.2113 18.2938 17.3467 17.3092 4-QUINOLINECARBOXYLIC ACID 4-Quinolinecarboxylic acid 14.2578 16.1598 14.9741 13.7744 15.7272 16.1733 13.1418 13.3157 13.8626 12.3295 13.5812 16.4495 CAFFEINE Caffeine 21.3807 21.1055 21.4628 18.8140 18.5024 20.6612 17.8068 CAFFEINE + 5.870583 Caffeine 19.6422 19.1005 19.5946 16.9952 16.7146 19.1173 12.4486 15.8687 CORTISONE (M+Na) Cortisone 15.4415 15.7124 15.7506 15.9417 16.5047 15.9338 16.4696 16.3445 16.4463 14.0286 15.6297 15.9488 16.0257 15.7339 15.9221 16.3974 CREATINE Creatine 18.6398 19.0006 19.6974 19.5331 19.3685 18.2732 18.9012 19.5942 19.7857 19.4035 18.3702 19.1433 18.6796 19.4846 DIOCTYL PHTHALATE + 23.07955 Dioctyl phthalate 20.3192 20.4113 20.3548 20.4876 20.5907 21.0892 20.3148 20.2042 20.3176 20.4706 20.4218 20.2871 20.4574 20.6774 20.7705 20.7909 DIOCTYL PHTHALATE + 23.08 Dioctyl phthalate 17.1093 16.5740 17.1712 17.4037 17.4476 18.7152 16.9545 16.9544 16.9173 16.9992 17.1832 16.9714 16.8803 17.4002 17.6384 17.7667 DIOCTYL PHTHALATE (2M+Na) Dioctyl phthalate 16.9982 16.5765 16.8221 16.9493 17.1817 18.6094 16.6848 16.5567 16.5331 16.6148 16.8446 16.5707 16.2777 17.0810 17.3822 17.5511 EDTA Edetic acid 22.9248 23.2444 22.8521 23.8637 23.1568 23.0850 24.3986 23.0168 23.3613 22.5291 23.8430 23.7151 24.3541 23.2816 23.7716 23.5404 HIPPURIC ACID Hippuric acid 20.6679 21.1602 18.6578 19.5005 19.8079 16.8346 18.3141 18.9628 19.1866 18.8946 20.0466 ISOLEUCINE Isoleucine 23.8735 23.3756 24.8551 24.0412 24.0321 24.5227 24.1335 24.2467 24.4607 24.5434 23.6751 22.7318 24.4648 24.6234 22.8118 24.1052 KYNURENINE Kynurenine 18.6507 18.1095 17.8577 18.0072 17.7899 17.7930 17.5105 19.1915 16.8582 17.7198 17.5528 17.6791 17.7181 18.0229 18.4298 18.0308 L-CARNITINE Carnitine 21.7208 22.0583 22.4353 21.0736 21.5336 22.3227 21.4903 21.4704 22.0874 22.4053 20.8087 21.5037 21.8117 22.0872 21.1627 21.5872 L-CARNITINE + 0.66735 Carnitine 19.8878 22.3564 17.2467 21.0656 18.9309 18.5140 16.4693 21.7551 17.4396 22.0192 20.2247 15.8499 19.9224 20.1032 24.4683 21.3553 METHIONINE Methionine 18.6656 18.4398 19.6351 18.2171 18.5268 18.4806 18.3238 18.9603 19.0542 18.7358 18.2461 18.6328 18.8736 19.2837 18.5714 18.8247 METHYL JASMONATE (M+Na) Methyl jasmonate 17.5218 17.5322 17.5515 17.7533 17.5251 17.4343 17.5798 17.1216 17.2664 17.1629 17.1402 16.7242 17.7044 17.3389 16.9961 17.3506 N-CYCLOHEXYLFORMAMIDE N-Cyclohexylformamide 17.7412 16.9119 16.7566 17.0957 16.5475 16.6321 16.6894 16.6379 16.2002 16.5917 16.2900 16.1805 16.9470 16.7639 16.2940 16.5545 O-ACETYLCARNITINE + 0.92200005 CAR 2:0 21.2717 22.0653 21.7863 21.2535 20.5827 22.0989 20.7075 21.2113 20.6963 21.2391 21.3357 19.3734 20.3531 21.1962 21.7131 21.3801 O-ACETYLCARNITINE (-H2O) CAR 2:0 16.4165 16.3879 16.7654 15.3426 14.4929 15.7836 13.4698 16.6213 16.9136 17.0467 15.9459 15.9411 16.2241 16.8446 16.2029 16.0332 PANTOTHENIC ACID Pantothenic acid 16.2127 18.6883 18.1525 16.5510 17.6841 17.7684 16.6423 17.8163 15.2465 17.7774 17.5987 PROLINE Proline 18.6972 18.7654 19.8581 18.6519 19.4113 18.7831 18.5469 18.7140 18.4856 18.2165 18.6556 19.1656 19.1875 19.1895 17.8009 18.7551 RETINOIC ACID Retinoic acid 15.8723 15.2030 16.0348 14.9399 12.7881 15.4360 15.7725 15.8152 14.0170 15.1958 16.8175 15.2933 15.7414 16.1214 15.1150 15.0862 SALICYLAMIDE Salicylamide 17.1866 17.5655 17.4570 17.3188 17.4055 17.5974 17.3742 17.5140 17.6211 17.5994 17.2005 16.7667 17.3151 17.2345 17.0970 17.6907 THEOBROMINE Theobromine 18.7960 18.6616 19.8489 19.1270 TRYPTOPHAN Tryptophan 22.5878 22.4080 22.4690 22.2879 22.5045 22.7901 22.8985 22.5766 22.9441 23.0415 22.4663 22.4660 22.9877 22.9720 22.5793 22.1941 TYROSINE Tyrosine 20.2352 18.8510 20.3819 19.4070 19.8497 19.8924 20.2812 20.3159 20.2281 20.6202 19.4013 20.1323 20.4513 20.9716 20.3327 19.1976 URIC ACID Uric acid 18.2720 18.4796 17.7837 18.0257 18.5202 18.1199 17.4234 17.6167 18.0271 18.3540 17.4094 18.0760 17.7809 18.3412 18.2635 17.6736 VALINE Valine 19.4965 18.5802 21.3707 20.7338 20.8282 21.4594 21.1038 20.5201 21.0710 20.8312 19.5384 20.1331 21.5149 21.2446 20.7071 20.7863