Samples 90217016611 90218016611 90222016611 90223016611 90225016611 90227016611 90229016611 90232016611 90237016611 90239016611 90245016611 90248016611 90251016611 90252016611 90254016611 90258016611 90259016611 90265016611 90266016611 90267016611 90280016611 90281016611 90283016611 90289016611 90292016611 90406016611 90410016611 90412016611 90416016611 90420016611 90421016611 90422016611 90423016611 90426016611 90430016611 90439016611 90441016611 90444016611 90449016611 90450016611 90559016611 90560016611 90564016611 90567016611 90571016611 90576016611 90578016611 90581016611 90585016611 90587016611 Lactate 17.8147 5.4422 9.9877 7.0767 12.8211 18.8923 10.8055 6.8376 7.3834 4.8734 13.9465 8.4749 17.0878 13.9616 12.7438 16.3109 9.2672 15.1543 6.8427 13.4146 5.7935 4.7252 7.4128 5.1813 3.2543 7.317 9.4644 17.1251 9.1641 14.163 5.3505 8.4154 8.765 5.2554 5.4221 11.7438 6.2669 6.406 5.0183 4.5701 22.0416 9.9835 20.0685 12.0487 16.0851 17.6604 11.596 6.1413 9.7447 7.7252 Succinate 0.5901 0.4661 0.6136 0.8347 0.9801 0.4484 0.7142 0.8109 0.9091 0.5372 0.7898 0.6383 0.7966 0.6687 1.0783 0.3646 0.5385 0.6565 0.4118 0.4899 0.5147 0.4861 0.5722 0.6275 0.384 0.1825 0.1181 0.1872 0.1697 0.2294 0.183 0.1724 0.4136 0.2257 0.205 0.33 0.189 0.1723 0.1705 0.1451 0.2083 0.1334 0.2344 0.1731 0.1645 0.1862 0.2228 0.177 0.1591 0.2006 Fumarate 0.7356 0.5077 0.6271 0.7159 0.9295 0.7348 0.775 0.7838 0.7997 0.5637 0.8737 0.6966 0.9857 0.7969 0.8584 0.7962 0.5778 0.7171 0.5253 0.668 0.5982 0.5782 0.6194 0.718 0.4798 1.3431 0.5862 0.6724 0.5209 0.8297 0.5922 0.654 0.6671 0.6312 0.6753 0.9207 0.4985 0.6212 0.4356 0.5192 0.8477 0.5644 0.9672 0.6947 0.8007 0.6804 0.6906 0.4837 0.4508 0.6606 Oxaloacetate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Ketoglutarate 0.0947 0.1856 0.0968 0.0957 0.1242 0.1366 0.1036 0.1062 0.1663 0.0701 0.1014 0.0891 0.1078 0.0922 0.1028 0.0984 0.0769 0.0687 0.0751 0.0984 0.0693 0.0652 0.067 0.0713 0.1081 2.2593 0.032 0.0435 0.013 0.0158 0.0142 0.0035 0.0141 0.0105 0.0292 0.0127 0.0223 0.0244 0.0222 0.0022 0.0503 0.0213 0.0238 0.0396 0.0369 0.0362 0.0068 0.0245 0.0243 0.0031 Malate 0.9539 0.6149 0.79 0.8347 1.0274 1.0433 0.9506 0.876 0.9055 0.6215 1.042 0.9044 1.2892 1.06 1.0642 1.1797 0.7487 0.9878 0.7276 0.9715 0.7091 0.6895 0.809 0.7733 0.5502 1.0405 1.0883 1.487 1.0224 1.4098 0.8828 1.203 0.8781 0.9824 1.0123 1.5064 0.7945 0.9524 0.7009 0.8409 1.5887 1.0636 1.6679 1.2927 1.4159 1.3452 1.239 0.8651 0.9636 1.1251 Aspartate 2.845 2.5333 2.7371 3.2652 3.5764 2.6563 3.1789 3.7111 3.9041 2.0337 3.3867 2.9158 3.3852 2.9352 3.7088 3.2471 2.7075 2.5453 2.0851 3.3365 2.7805 2.6334 3.0362 3.1024 2.3053 2.5086 2.0726 2.5123 2.2504 2.7537 2.7895 2.5825 2.9703 3.0103 2.9831 3.8398 2.0347 2.6608 1.7406 2.2411 2.3015 2.0605 3.1486 2.5928 2.797 2.0538 2.1379 1.8138 1.4784 2.42 2-Hydroxyglutarate 0.0156 0.0116 0.0154 0.0192 0.0278 0.0224 0.0219 0.0217 0.0207 0.011 0.0205 0.0139 0.0222 0.0165 0.02 0.021 0.011 0.0127 0.0106 0.021 0.0136 0.0128 0.015 0.0166 0.009 0.0297 0.0243 0.0323 0.0266 0.0331 0.0269 0.0333 0.036 0.0294 0.0346 0.0438 0.026 0.0295 0.0224 0.0272 0.0322 0.026 0.0398 0.0311 0.0357 0.0287 0.0313 0.0251 0.0218 0.0306 Glutamate 7.6131 6.3727 7.0978 8.4231 10.7899 9.0289 8.5549 9.1198 9.9739 6.3665 9.1959 8.0285 9.8375 7.831 9.8987 10.1965 7.8095 7.9974 6.0891 10.0101 7.0925 7.3772 8.1177 8.0139 5.9725 7.7276 7.0945 8.9406 7.5102 8.8508 6.9652 8.6371 8.6606 7.8268 8.0698 10.6949 6.4466 7.3941 5.5757 6.5308 7.8429 7.585 9.6802 8.326 9.177 6.7913 7.8717 5.8496 5.7763 7.4555 cis-aconitate 0.037 0.0277 0.0307 0.0329 0.0395 0.0502 0.0347 0.0334 0.037 0.0299 0.0428 0.0367 0.0416 0.038 0.0444 0.0484 0.0403 0.0428 0.0277 0.042 0.027 0.0293 0.0303 0.0375 0.0273 0.0347 0.0542 0.0733 0.0537 0.0556 0.0542 0.0553 0.062 0.0503 0.0541 0.0596 0.0517 0.053 0.0467 0.0494 0.0591 0.0525 0.0704 0.0675 0.0623 0.0553 0.0572 0.0502 0.0514 0.0628 Citrate 0.925 0.6746 0.7598 0.9534 1.1086 1.0312 1.0666 1.0127 1.091 0.7585 1.1738 1.1734 1.312 1.099 1.1758 1.1039 0.7442 0.8935 0.726 1.1646 0.6958 0.6892 0.8727 0.7938 0.6317 0.81 0.8598 1.0745 0.8088 1.0294 0.7946 1.0584 1.2325 0.8745 0.9534 1.3445 0.7007 0.9013 0.6618 0.7288 1.0378 0.828 1.4084 1.0728 1.1738 0.8801 1.0757 0.7748 0.7631 0.9684 Isocitrate 0.0519 0.039 0.0416 0.0476 0.0558 0.0556 0.0519 0.0504 0.0547 0.043 0.0615 0.054 0.0663 0.0571 0.0601 0.0578 0.045 0.0489 0.0404 0.0581 0.0406 0.0394 0.0472 0.0469 0.038 0.0539 0.0568 0.073 0.0514 0.0626 0.0548 0.0623 0.071 0.0537 0.0554 0.0734 0.0484 0.0547 0.0464 0.0496 0.0639 0.0563 0.0843 0.0699 0.071 0.0561 0.0684 0.0536 0.0535 0.0685 metabolite_name formula mz neutral_mass refmet_name rt Lactate C3H6O3 261 90.0317 Lactic acid 4.18 Succinate C4H6O4 289 118.0266 Succinic acid 5.19 Fumarate C4H4O4 287 116.011 Fumaric acid 6.13 Oxaloacetate C4H4O5 346 132.0059 Oxaloacetic acid 8.37 Ketoglutarate C5H6O5 360 146.0215 Oxoglutaric acid 8.37 Malate C4H6O5 419 134.0215 Malic acid 8.93 Aspartate C4H7NO4 418 133.0375 Aspartic acid 9.37 2-Hydroxyglutarate C5H8O5 433 148.114 2-Hydroxyglutaric acid 9.98 Glutamate C5H9NO4 432 147.0532 Glutamic acid 10.58 cis-aconitate C6H6O6 459 174.0164 cis-Aconitic acid 14.08 Citrate C6H8O7 591 192.027 Citric acid 14.09 Isocitrate C6H8O7 591 192.027 Isocitric acid 14.09