Data for (Study ST003888)
(Analysis AN006387)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 study| Metabolite | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 |
|---|---|---|---|---|---|---|---|---|
| 2-Aminoisobutyrate_C12 PARENT | 0.6564 | 0.8727 | 0.8936 | 0.5685 | 0.9424 | 1.7881 | 1.2522 | 0.7127 |
| 2-Deoxy-D-glucose_C12 PARENT | 1.0399 | 1.0815 | 0.7104 | 1.0592 | 1.0342 | 0.8387 | 0.9952 | 1.2503 |
| 2-Deoxyguanosine_C12 PARENT | 0.3987 | 0.9441 | 1.3523 | 2.2395 | 0.7542 | 0.7113 | 1.3337 | 0.5878 |
| 2-Deoxyuridine_C12 PARENT | 1.1028 | 0.8554 | 0.8503 | 1.4010 | 0.9558 | 0.8001 | 0.7650 | 1.3872 |
| 2-Deoxyuridine_C13-label-1 | 0.6655 | 1.1268 | 0.9561 | 0.9471 | 1.3942 | 0.7875 | 0.5744 | 1.4011 |
| 2-Deoxyuridine_C13-label-2 | 1.2065 | 0.6958 | 1.1953 | 1.1930 | 1.3772 | 0.7350 | 0.8580 | 0.9149 |
| 2-Deoxyuridine_C13-label-3 | 0.8242 | 1.0731 | 0.6704 | 0.9894 | 1.4688 | 0.7632 | NA | 0.9037 |
| 2-Deoxyuridine_C13-label-4 | NA | 1.0774 | NA | 1.2394 | 0.7348 | NA | NA | NA |
| 2-Deoxyuridine_C13-label-5 | 0.5612 | 1.0844 | 0.5721 | 1.6879 | 1.0241 | 0.9839 | 0.9740 | 1.1210 |
| 2-Deoxyuridine_C13-label-9 | 0.8737 | NA | NA | NA | 1.1263 | NA | NA | NA |
| 2-Hydroxy-4-(methylthio)butyrate_C12 PARENT | 1.6179 | 1.1253 | 0.5117 | 0.7748 | 0.6973 | 1.3402 | 1.2065 | 0.7498 |
| 2-Hydroxy-4-(methylthio)butyrate_C13-label-5 | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| 2-Hydroxybutyrate_C12 PARENT | 0.8385 | 1.2713 | 1.5028 | 0.3635 | 0.8316 | 1.1839 | 1.1288 | 0.7156 |
| 2-Hydroxybutyrate_C13-label-1 | 0.5453 | 1.2360 | 1.4078 | 0.5985 | 0.7698 | 1.5544 | 1.0378 | 0.5902 |
| 2-Hydroxypyridine_C12 PARENT | 0.9997 | 0.6991 | 0.8466 | 1.2062 | 1.1278 | 0.8268 | 0.9077 | 1.4346 |
| 2-Ketoisovalerate_C12 PARENT | 0.8258 | 1.0874 | 0.9398 | 0.8778 | 1.1170 | 0.8981 | 1.1063 | 1.0842 |
| 2-Ketoisovalerate_C13-label-1 | 0.8694 | 0.8813 | 0.8149 | 0.7789 | 1.2425 | 1.0018 | 1.1511 | 1.1545 |
| 2-methylcitrate_C12 PARENT | 0.7536 | 1.3790 | 0.6473 | 1.2398 | 0.9265 | 1.0856 | 0.8590 | 1.0245 |
| 2-methylcitrate_C13-label-1 | 0.8699 | 1.0799 | 0.8016 | 1.2244 | 0.9622 | 1.0212 | 0.9323 | 1.0945 |
| 2-Phosphoglycerate_C12 PARENT | 1.4991 | 2.2554 | 0.3510 | 0.7371 | 0.3763 | 1.1567 | 0.9282 | 0.6383 |
| 2-Phosphoglycerate_C13-label-1 | 1.0905 | 1.9161 | 0.4645 | 0.6633 | 0.5366 | 1.4006 | 0.9785 | 0.6001 |
| 2-Phosphoglycerate_C13-label-3 | 1.5391 | 1.5320 | 0.2781 | 1.0179 | 1.0584 | 0.6870 | 1.3991 | 0.2843 |
| 3-Cresotinic acid_C12 PARENT | 1.3438 | 0.7496 | 1.1514 | 0.8914 | 0.7075 | 0.8590 | 1.4991 | 0.9786 |
| 3-Cresotinic acid_C13-label-1 | 1.0927 | 0.9365 | 0.8959 | 0.6896 | 1.1056 | 0.9204 | 0.9898 | 1.3025 |
| 3-Cresotinic acid_C13-label-2 | 1.0160 | 1.0513 | 0.7449 | 0.7462 | 1.3007 | 0.8273 | 1.0170 | 1.1581 |
| 3-Cresotinic acid_C13-label-3 | 0.9692 | 1.1556 | 0.8511 | 0.9765 | 1.2592 | 0.7278 | 1.0637 | 1.0081 |
| 3-Hydroxybutyrate_C12 PARENT | 0.9034 | 0.5731 | 1.1390 | 0.9369 | 1.1318 | 0.9095 | 1.3604 | 1.0845 |
| 3-Hydroxybutyrate_C13-label-1 | 0.5957 | 0.5609 | 1.1362 | 0.7508 | 0.9162 | 0.7761 | 1.4156 | 1.7726 |
| 3-Methoxytyramine_C12 PARENT | 0.6728 | 1.0471 | 0.8564 | 0.8080 | 1.3563 | 0.8140 | 0.8678 | 1.4163 |
| 3-Methyl-2-oxovalerate_C12 PARENT | 0.6963 | 1.1298 | 0.7929 | 0.8648 | 0.9763 | 0.7555 | 1.4682 | 1.2629 |
| 3-Methyl-2-oxovalerate_C13-label-1 | 0.7924 | 0.9605 | 0.7076 | 0.8013 | 1.1231 | 0.9315 | 1.2324 | 1.3362 |
| 3-Methyl-2-oxovalerate_C13-label-2 | 0.5627 | 1.1285 | 0.7254 | 0.6223 | 1.6602 | 0.7403 | 1.3027 | 1.1724 |
| 3-Methyl-2-oxovalerate_C13-label-4 | NA | 0.8538 | NA | NA | NA | NA | NA | 1.1462 |
| 3-Methyl-2-oxovalerate_C13-label-6 | NA | NA | 1.0000 | NA | NA | NA | NA | NA |
| 3-Phosphoglycerate_C12 PARENT | 0.7376 | 1.6006 | 0.6414 | 0.9160 | 0.6803 | 1.4141 | 0.8954 | 0.8903 |
| 3-Phosphoglycerate_C13-label-1 | 1.0742 | 1.4740 | 0.7258 | 0.7769 | 0.7202 | 1.5129 | 0.7663 | 0.6018 |
| 4-Aminobutyrate (GABA)_C12 PARENT | 0.8265 | 1.0900 | 1.0950 | 1.1374 | 0.7893 | 1.0643 | 1.3309 | 0.7079 |
| 4-Guanidinobutyrate_C12 PARENT | 0.8408 | 0.5258 | 0.8792 | 0.9989 | 0.6686 | 1.0462 | 1.4565 | 1.5796 |
| 4-Guanidinobutyrate_C13-label-3 | NA | 1.0066 | 0.8583 | 1.3683 | NA | 0.9085 | NA | NA |
| 4-Hydroxybenzaldehyde_C12 PARENT | 0.5340 | 1.0210 | 1.0997 | 1.1245 | 0.9666 | 1.0593 | 1.1064 | 1.0118 |
| 4-Hydroxybenzaldehyde_C13-label-1 | 0.7231 | 1.0342 | 1.0894 | 1.0777 | 1.0483 | 1.0270 | 0.7945 | 1.1284 |
| 4-Hydroxybenzaldehyde_C13-label-2 | 1.0518 | 0.9797 | 0.5937 | 1.2113 | 0.9009 | 1.1935 | 0.6446 | 1.1894 |
| 4-Hydroxybenzaldehyde_C13-label-3 | 1.2399 | 1.1536 | 0.9574 | 0.7999 | 0.9294 | 1.0004 | 0.8476 | 1.0553 |
| 4-Hydroxybenzaldehyde_C13-label-4 | 1.4154 | 1.1102 | 0.9830 | 1.1698 | 0.7310 | 1.3443 | 0.5349 | 0.7604 |
| 4-Pyridoxic acid_C12 PARENT | 0.9263 | 0.8289 | 0.9679 | 0.8418 | 2.3670 | 0.5612 | 0.8567 | 0.6216 |
| 4-Pyridoxic acid_C13-label-1 | 0.6975 | 1.0279 | 0.7125 | 0.9878 | 2.0235 | 0.7144 | 0.8970 | 0.5757 |
| 5-Deoxy-5-(methylthio)adenosine_C12 PARENT | 1.0464 | 1.0824 | 1.3382 | 0.8503 | 0.6211 | 0.6499 | 1.5630 | 0.9979 |
| 5-Deoxy-5-(methylthio)adenosine_C13-label-5 | 0.5213 | 1.4244 | 0.8399 | 0.8313 | 1.2579 | 0.7073 | 1.0919 | 0.9644 |
| Acetyl-arginine_C12 PARENT | 0.7443 | 0.7070 | 0.6283 | 1.1031 | 1.4240 | 1.0596 | 0.9942 | 1.2334 |
| Acetyl-arginine_C13-label-6 | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
| Acetylcholine_C12 PARENT | 0.8059 | 1.2927 | 0.8679 | 0.6127 | 0.7490 | 1.5775 | 0.9319 | 0.8852 |
| Acetylcholine_C13-label-1 | 1.0442 | 0.7528 | 0.8735 | 0.9539 | 0.6730 | 1.6965 | 1.1441 | 0.7645 |
| Aconitate_C12 PARENT | 0.8502 | 0.9819 | 1.4880 | 0.7001 | 0.8597 | 0.8725 | 1.3385 | 0.9168 |
| Aconitate_C13-label-1 | 0.6930 | 1.0005 | 1.1512 | 1.0309 | 0.7015 | 0.9860 | 1.3505 | 1.0811 |
| Aconitate_C13-label-2 | 0.6034 | 0.7743 | 1.5282 | 1.4730 | 0.7074 | 0.8724 | 1.2560 | 0.9374 |
| Aconitate_C13-label-3 | 0.8146 | 0.8686 | 1.0606 | 0.9690 | 1.0428 | 1.0089 | 1.5659 | 0.6960 |
| Aconitate_C13-label-4 | 1.0597 | 1.0441 | 1.7558 | 0.3829 | 1.1472 | 0.9277 | 0.6588 | 1.0216 |
| Adenine_C12 PARENT | 0.5235 | 1.6061 | 0.5528 | 0.9469 | 0.6880 | 1.0128 | 1.7759 | 0.7879 |
| Adenine_C13-label-1 | 0.5701 | 1.5953 | 0.5005 | 0.9552 | 0.7726 | 1.0464 | 1.6429 | 0.7953 |
| Adenosine_C12 PARENT | 0.7457 | 1.3007 | 0.3540 | 1.0142 | 0.7465 | 0.8901 | 2.0099 | 0.9380 |
| Adenosine_C13-label-6 | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| ADP_C12 PARENT | 1.1589 | 1.7240 | 0.4343 | 1.0712 | 0.4495 | 1.1606 | 1.3174 | 0.6913 |
| ADP_C13-label-1 | 1.3984 | 1.6423 | 0.4107 | 0.8126 | 0.9738 | 1.2546 | 0.8297 | 0.5933 |
| ADP_C13-label-2 | 1.5227 | 1.4752 | 0.3271 | 0.8262 | 0.9582 | 1.2636 | 1.0040 | 0.5895 |
| ADP_C13-label-3 | 0.5559 | 1.4690 | 0.6375 | 0.6477 | 1.7457 | 0.7968 | 0.6196 | 1.0233 |
| ADP_C13-label-4 | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
| ADP-ribose_C12 PARENT | 1.6469 | 1.7782 | 0.3506 | 0.6614 | 1.1182 | 1.2407 | 0.8580 | 0.2866 |
| ADP-ribose_C13-label-1 | 1.9248 | 1.6335 | 0.3050 | 0.4237 | 1.1845 | 1.0948 | 1.1306 | 0.3086 |
| ADP-ribose_C13-label-2 | 1.6881 | 1.3361 | 0.3651 | 0.4335 | 1.0493 | 1.0154 | 0.7811 | 0.4564 |
| ADP-ribose_C13-label-3 | NA | 1.0685 | NA | NA | 0.8680 | 1.0853 | 0.9891 | NA |
| ADP-ribose_C13-label-6 | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| Alanine_C12 PARENT | 1.0954 | 1.1614 | 0.9114 | 0.8991 | 0.9529 | 1.0220 | 1.0418 | 0.9046 |
| Alanine_C13-label-1 | 0.9881 | 0.9050 | 1.1104 | 0.9687 | 1.1567 | 0.8253 | 1.2081 | 0.8956 |
| Alanine_C13-label-2 | 0.7230 | 1.0385 | 1.6194 | 0.5077 | 0.5349 | 1.0938 | 1.6359 | 0.7929 |
| Alanine_C13-label-3 | 0.8941 | 1.0908 | 1.3440 | 0.9904 | 0.6686 | 1.0220 | 0.9372 | 1.0570 |
| Allantoin_C12 PARENT | 0.8823 | 0.9369 | 1.1891 | 0.7084 | 1.2188 | 0.7572 | 1.2570 | 1.0318 |
| Allantoin_C13-label-1 | 0.8170 | 0.5765 | 1.1708 | 0.7988 | 1.3273 | 1.1667 | 1.0614 | 0.9811 |
| Alpha-Ketoglutarate_C12 PARENT | 0.7982 | 0.9718 | 1.4117 | 1.0884 | 0.5944 | 0.6548 | 1.0873 | 1.4815 |
| Alpha-Ketoglutarate_C13-label-1 | 0.6475 | 0.9466 | 1.2765 | 1.0642 | 0.7585 | 0.6621 | 1.6077 | 1.1290 |
| Alpha-Ketoglutarate_C13-label-2 | 0.6399 | 0.6192 | 1.6366 | 1.2126 | 0.4613 | 0.6419 | 1.9708 | 1.0564 |
| Alpha-Ketoglutarate_C13-label-3 | 0.5322 | 0.6997 | 0.9211 | 0.8711 | 0.4480 | 1.0187 | 2.1983 | 1.0383 |
| Anserine_C12 PARENT | 1.0908 | 1.1322 | 0.9272 | 0.8616 | 0.8355 | 1.1656 | 0.9798 | 0.9568 |
| Anserine_C13-label-1 | 0.4680 | 1.0105 | 1.7748 | 1.5617 | 1.3952 | 0.3019 | 1.1442 | 0.5831 |
| Anserine_C13-label-2 | 0.9846 | 1.3477 | 0.9726 | 0.8203 | 0.5801 | 1.3180 | 0.9705 | 0.8969 |
| Anserine_C13-label-3 | 1.0582 | 0.9427 | 1.0098 | 0.7493 | 0.9070 | 1.1137 | 1.6068 | 0.6293 |
| Arginine_C12 PARENT | 0.8931 | 0.5746 | 0.9643 | 0.9900 | 1.9680 | 0.7175 | 0.7063 | 1.1462 |
| Arginine_C13-label-1 | 0.7960 | 0.5195 | 0.8037 | 0.8987 | 1.8422 | 1.0210 | 0.8166 | 1.1579 |
| Asparagine_C12 PARENT | 0.9454 | 1.1146 | 1.0401 | 1.0279 | 0.6248 | 1.1505 | 1.0140 | 1.0613 |
| Asparagine_C13-label-1 | 1.1547 | 0.9628 | 0.9989 | 1.0294 | 0.9089 | 1.1746 | 0.8494 | 0.9273 |
| Asparagine_C13-label-3 | NA | 1.1355 | NA | NA | NA | 0.7617 | 1.1029 | NA |
| Aspartate_C12 PARENT | 0.5255 | 1.5211 | 1.1780 | 1.0909 | 0.8866 | 1.0443 | 1.1331 | 0.5489 |
| Aspartate_C13-label-1 | 1.0789 | 0.8623 | 1.0000 | 1.1164 | 0.7235 | 0.9408 | 0.9705 | 1.3676 |
| Aspartate_C13-label-2 | 1.0154 | 1.1320 | 1.0234 | 1.2071 | 1.3265 | 0.8910 | 0.6841 | 0.7578 |
| Aspartate_C13-label-3 | 0.8164 | 0.9267 | 0.9513 | 0.6305 | 1.5387 | 1.0011 | 0.7094 | 1.2193 |
| Aspartate_C13-label-4 | NA | NA | NA | NA | 2.2386 | 0.4030 | NA | 0.3584 |
| ATP_C12 PARENT | 0.8460 | 1.4158 | 0.6168 | 0.9488 | 0.8233 | 1.3008 | 1.2202 | 0.7035 |
| ATP_C13-label-1 | 0.9275 | 1.4100 | 0.5165 | 0.6682 | 0.8836 | 1.2723 | 1.1758 | 0.9479 |
| ATP_C13-label-2 | 0.8936 | 1.5253 | 0.5099 | 0.9638 | 0.8478 | 1.5122 | 1.0790 | 0.4958 |
| ATP_C13-label-3 | 1.0435 | 1.5351 | 0.5892 | 0.8560 | 0.7128 | 0.9202 | 1.2766 | 0.9472 |
| Caproic acid_C12 PARENT | 0.5223 | 1.1355 | 0.7106 | 1.2104 | 1.4584 | 0.9827 | 0.9621 | 0.8973 |
| Caproic acid_C13-label-1 | 0.7862 | 0.8735 | 0.7811 | 0.9785 | 1.5807 | 0.7631 | 0.9313 | 1.2311 |
| Caproic acid_C13-label-2 | 0.5498 | 0.9630 | 0.6483 | 1.1265 | 1.5148 | 0.8847 | 0.8204 | 1.2920 |
| Carnosine_C12 PARENT | 1.2919 | 1.2192 | 0.7923 | 0.8686 | 0.8092 | 1.2045 | 0.8912 | 0.8944 |
| Carnosine_C13-label-1 | 0.4602 | 0.5257 | 1.1881 | 0.9156 | 0.5613 | 1.2716 | 1.7929 | 1.2076 |
| Carnosine_C13-label-2 | 1.2290 | 1.4834 | 0.5623 | 0.9563 | 0.6528 | 1.1161 | 1.3174 | 0.7019 |
| Carnosine_C13-label-3 | 1.1871 | 1.1753 | 1.0034 | 0.9094 | 0.8470 | 1.0609 | 0.7059 | 1.0884 |
| CDP-choline_C12 PARENT | 1.0088 | 1.2717 | 0.7651 | 0.6642 | 1.4287 | 0.8459 | 0.9370 | 0.9646 |
| CDP-choline_C13-label-1 | 0.8655 | 1.2865 | 0.5732 | 0.8819 | 1.4512 | 0.9974 | 0.7941 | 0.9880 |
| CDP-choline_C13-label-2 | 1.0149 | 1.1714 | 0.6636 | 0.9496 | 1.5725 | 0.5620 | 0.8279 | 0.9360 |
| CDP-choline_C13-label-3 | NA | 1.0442 | NA | NA | 0.9197 | NA | 1.0186 | 0.9732 |
| CDP-ethanolamine_C12 PARENT | 1.2139 | 1.0539 | 0.9052 | 0.9970 | 1.0254 | 0.9912 | 0.7844 | 1.0462 |
| CDP-ethanolamine_C13-label-1 | 1.2146 | 1.1881 | 0.6095 | 0.9453 | 1.1479 | 0.9953 | 0.9706 | 0.9150 |
| CDP-ethanolamine_C13-label-2 | 0.4123 | 0.9470 | 0.8268 | 0.9181 | 1.3777 | 0.8889 | 0.8920 | 1.4798 |
| Citramalate_C12 PARENT | 0.4291 | 0.9280 | 0.5184 | 0.6792 | 1.1684 | 2.5960 | 0.5491 | 0.5159 |
| Citramalate_C13-label-1 | 0.8307 | 1.0135 | 1.4226 | 1.3952 | 0.6028 | 0.8207 | 0.9771 | 1.0847 |
| Citramalate_C13-label-2 | 0.6776 | 0.8924 | 1.0348 | 1.8165 | 1.4136 | 0.6128 | 0.9068 | 0.8338 |
| Citramalate_C13-label-3 | 0.6036 | 0.7231 | 1.2832 | 1.9480 | 1.6690 | 0.5407 | 0.8074 | 0.6612 |
| Citrate_C12 PARENT | 0.3919 | 0.9174 | 0.9588 | 1.6694 | 0.7410 | 0.7360 | 1.2248 | 1.4422 |
| Citrate_C13-label-1 | 0.3306 | 0.9533 | 0.7360 | 1.4904 | 0.8367 | 0.9095 | 1.2927 | 1.4167 |
| Citrate_C13-label-2 | 0.8342 | 0.7818 | 1.0847 | 1.6421 | 0.8745 | 0.9182 | 0.9879 | 1.0348 |
| Citrate_C13-label-3 | 0.7961 | 1.0349 | 1.0835 | 1.3212 | 0.8646 | 0.8266 | 0.9841 | 1.1570 |
| Citrulline_C12 PARENT | 1.2860 | 0.7352 | 0.8416 | 1.4981 | 1.0143 | 0.8999 | 0.4620 | 1.4018 |
| Citrulline_C13-label-1 | 1.1399 | 0.7810 | 0.7036 | 1.1771 | 1.2215 | 0.8524 | 0.8402 | 1.3307 |
| Citrulline_C13-label-2 | 1.0068 | 0.9483 | 0.6537 | 1.4868 | 0.8218 | 0.7552 | 1.1459 | 1.3288 |
| Citrulline_C13-label-3 | 0.7104 | 0.9678 | 0.6000 | 1.1975 | 0.8505 | 1.0792 | 1.2488 | 1.2393 |
| Creatine_C12 PARENT | 1.1090 | 1.1604 | 0.9060 | 0.9021 | 0.9607 | 1.0239 | 1.0332 | 0.8959 |
| Creatine_C13-label-1 | 1.2614 | 0.9597 | 0.8892 | 1.0404 | 0.8101 | 1.0394 | 1.2004 | 0.8928 |
| Creatine_C13-label-2 | 1.1441 | 1.2155 | 0.9239 | 0.9463 | 1.0318 | 0.9784 | 0.7760 | 0.9701 |
| Creatine phosphate_C12 PARENT | 1.9540 | 2.2672 | 0.5012 | 0.4401 | 1.1750 | 0.3655 | 0.8128 | 0.5895 |
| Creatine phosphate_C13-label-1 | 0.4016 | 0.7466 | 1.1616 | 1.2846 | 0.5374 | 1.0315 | 1.0612 | 1.7132 |
| Creatinine_C12 PARENT | 1.3573 | 1.0271 | 1.4736 | 0.7192 | 1.0214 | 1.1350 | 0.9630 | 0.3684 |
| Creatinine_C13-label-1 | 0.8750 | 0.9952 | 0.8102 | 0.6856 | 0.9134 | 1.0236 | 1.5707 | 1.0519 |
| Creatinine_C13-label-2 | 0.7713 | 0.7949 | 1.1412 | 0.9721 | 0.9055 | 0.9510 | 1.1532 | 1.2865 |
| Cystathionine_C12 PARENT | 0.6370 | 0.4842 | 0.4616 | 0.5609 | 1.6420 | 1.2236 | 1.2922 | 1.4023 |
| Cytidine_C12 PARENT | 1.0587 | 1.1955 | 0.8420 | 1.1448 | 0.6596 | 0.7916 | 1.2403 | 1.1672 |
| Cytidine_C13-label-1 | 0.9685 | 0.8329 | 0.8624 | 1.2712 | 0.8483 | 0.7539 | 1.2632 | 1.3211 |
| Cytidine_C13-label-8 | 1.0716 | 0.8354 | 1.0681 | 1.1402 | 1.1043 | 0.9395 | 1.0538 | 0.8545 |
| Deoxycarnitine_C12 PARENT | 0.7460 | 1.0397 | 0.9539 | 0.7074 | 1.4528 | 0.5020 | 1.0859 | 1.4509 |
| Deoxycytidine_C12 PARENT | 0.8961 | 1.1590 | 1.0230 | 1.2878 | 0.9166 | 0.9865 | 0.9437 | 0.8370 |
| Deoxycytidine_C13-label-1 | 0.8825 | 1.0439 | 1.0343 | 0.7812 | 0.8189 | 1.1277 | 1.3704 | NA |
| Dimethyl-arginine_C12 PARENT | 0.7263 | 0.6637 | 0.8990 | 0.6745 | 1.4163 | 1.3175 | 1.2578 | 0.8507 |
| Dimethyl-arginine_C13-label-1 | 0.7656 | 0.5230 | 0.8866 | 0.5256 | 1.5888 | 0.9505 | 1.5203 | 0.9432 |
| Erythritol_C12 PARENT | 0.9830 | 1.0213 | 1.4262 | 0.5769 | 0.9342 | 1.1653 | 1.0606 | 0.7526 |
| Erythritol_C13-label-1 | 0.7433 | 1.0941 | 1.1057 | 0.9542 | NA | 0.9971 | NA | NA |
| Fructose 6-phosphate_C12 PARENT | 0.9456 | 0.8378 | 1.9757 | 1.1842 | 0.5640 | 0.9672 | 1.0247 | 0.6854 |
| Fructose 6-phosphate_C13-label-1 | 0.8837 | 0.8207 | 0.8628 | 1.1103 | 0.9955 | 1.2185 | 1.4081 | 0.7062 |
| Fructose 6-phosphate_C13-label-2 | 0.2729 | 1.1216 | 2.1010 | 0.6150 | 0.2069 | 0.9615 | 2.0214 | 0.5664 |
| Fructose 6-phosphate_C13-label-3 | 0.3662 | 0.6519 | 2.5667 | 1.0208 | 0.2677 | 0.7254 | 1.2975 | 1.1297 |
| Fructose 6-phosphate_C13-label-4 | 0.0454 | 1.0549 | 1.9378 | 0.2910 | NA | 0.9396 | 1.1658 | 0.3667 |
| Fructose 6-phosphate_C13-label-5 | 0.4371 | 0.4018 | 1.7407 | 0.9615 | 0.3544 | 0.4030 | 1.3432 | 1.0481 |
| Fructose 6-phosphate_C13-label-6 | 0.6828 | 0.3511 | 1.5451 | 1.8794 | 0.4538 | 0.5333 | 1.3554 | 1.4883 |
| Glucosamine 6-phosphate_C12 PARENT | 0.8150 | 0.4954 | 1.1278 | 0.9815 | 0.9569 | 0.6653 | 2.1700 | 0.9570 |
| Glucosamine 6-phosphate_C13-label-3 | NA | NA | 2.2485 | NA | 0.5838 | NA | NA | NA |
| Glucose 6-phosphate_C12 PARENT | 0.8793 | 1.9864 | 0.9765 | 0.6506 | 1.4840 | 0.3553 | 0.6286 | 0.9406 |
| Glucose 6-phosphate_C13-label-1 | 1.1752 | 0.6965 | 1.2852 | 0.8415 | 1.1569 | 1.2324 | 0.4657 | 1.0825 |
| Glucose 6-phosphate_C13-label-2 | 0.1364 | 0.2113 | 4.7408 | 0.2463 | 0.1774 | 0.2473 | 2.4392 | 0.1868 |
| Glucose 6-phosphate_C13-label-3 | 0.4066 | 0.6143 | 2.5638 | 0.6830 | 0.2147 | 0.8222 | 1.7554 | 1.0366 |
| Glucose 6-phosphate_C13-label-4 | 0.3342 | 0.5373 | 2.4913 | 1.0187 | 0.1972 | 0.5111 | 1.8112 | 0.6717 |
| Glucose 6-phosphate_C13-label-5 | 0.4848 | 0.6813 | 2.3196 | 1.1226 | 0.5112 | 0.4379 | 1.5803 | 0.8818 |
| Glucose 6-phosphate_C13-label-6 | 0.5855 | 0.4752 | 1.5752 | 2.3640 | 0.6204 | 0.4697 | 1.2069 | 1.1619 |
| Glucose_C12 PARENT | 0.4204 | 1.2211 | 1.2356 | 1.4805 | 0.5149 | 1.0972 | 0.9360 | 1.0766 |
| Glucose_C13-label-1 | 1.1681 | 1.0275 | 1.0625 | 0.8121 | 0.7880 | 1.2507 | 1.1625 | 0.7192 |
| Glucose_C13-label-2 | 0.9440 | 1.3159 | 1.1350 | 0.9744 | 0.4141 | 1.5233 | 0.8057 | 0.7810 |
| Glucose_C13-label-3 | 1.0188 | 1.2463 | 1.4143 | 0.8346 | 0.6212 | 1.1856 | 0.8250 | 0.8201 |
| Glucose_C13-label-4 | 1.2491 | 1.3734 | 1.1085 | 0.4640 | 0.4513 | 1.3208 | 0.9823 | 0.9359 |
| Glucose_C13-label-5 | 1.6514 | 1.6418 | 0.4910 | 1.4797 | 0.6426 | 0.8213 | 0.6218 | 0.8723 |
| Glucose_C13-label-6 | 1.7384 | 1.2802 | 0.6888 | 1.2855 | 0.9105 | 0.8406 | 0.4936 | 0.9610 |
| Glucuronic acid_C12 PARENT | 0.9513 | 0.9715 | 1.2025 | 0.8465 | 1.5227 | 0.9200 | 0.8769 | 0.6736 |
| Glucuronic acid_C13-label-1 | 0.5181 | 1.0945 | 0.9375 | 0.9258 | 1.8958 | 0.7022 | 0.8715 | 0.9110 |
| Glucuronic acid_C13-label-3 | 0.4941 | 0.7123 | 0.9772 | 0.6767 | 2.2541 | 1.1146 | 0.8700 | 0.7548 |
| Glucuronic acid_C13-label-6 | 0.6371 | 0.6904 | 1.4218 | 0.9549 | 1.4505 | 0.7032 | NA | 0.6884 |
| Glutamate_C12 PARENT | 0.6269 | 1.0832 | 1.5302 | 1.5200 | 0.7868 | 1.0424 | 0.7855 | 0.7061 |
| Glutamate_C13-label-1 | 0.9289 | 1.0622 | 0.6180 | 1.1274 | 1.2839 | 0.7682 | 0.7999 | 1.3774 |
| Glutamate_C13-label-2 | 0.8785 | 0.8727 | 1.1171 | 1.3708 | 1.1513 | 0.9291 | 1.1070 | 0.6869 |
| Glutamate_C13-label-3 | 0.5746 | 0.8317 | 0.9775 | 1.2073 | 1.2988 | 0.7115 | 1.4396 | 0.9974 |
| Glutamate_C13-label-4 | 0.9163 | 0.6432 | 0.6463 | 1.1392 | 1.7464 | 0.3095 | 0.7316 | NA |
| Glutamine_C12 PARENT | 0.8512 | 0.9840 | 0.9319 | 1.1451 | 1.0045 | 0.9832 | 1.0698 | 1.0320 |
| Glutamine_C13-label-1 | 0.8836 | 1.2103 | 1.2312 | 0.9659 | 0.5383 | 1.2976 | 0.6517 | 1.1192 |
| Glutamine_C13-label-2 | 0.8275 | 1.0889 | 1.0670 | 1.0163 | 0.7864 | 1.1498 | 1.4741 | 0.6012 |
| Glutamine_C13-label-3 | 0.7891 | 0.9093 | 0.6048 | 1.1750 | 0.9287 | 1.3029 | 1.5839 | 0.6798 |
| Glutamine_C13-label-4 | 0.8589 | 0.8928 | 0.8396 | 1.4088 | 1.0777 | 0.8783 | 1.3308 | 0.8313 |
| Glutamine_C13-label-5 | 0.6526 | 0.5993 | 0.7051 | NA | 1.2752 | NA | 1.5129 | 0.7814 |
| Glutaric acid_C12 PARENT | 0.7503 | 1.4053 | 0.8745 | 0.8554 | 1.0381 | 0.9453 | 1.0392 | 0.9748 |
| Glutaric acid_C13-label-1 | 0.8409 | 1.3776 | 0.6950 | 0.8538 | 1.1487 | 1.1423 | 0.9491 | 0.8341 |
| Glutathione_C12 PARENT | 2.1744 | 0.6549 | 1.0950 | 0.2378 | 1.7519 | 0.9546 | 0.6091 | 0.6043 |
| Glutathione_C13-label-1 | 1.0529 | 1.0511 | 0.9429 | 0.9178 | 0.8086 | 1.0528 | 1.0024 | 1.1478 |
| Glutathione_C13-label-2 | 1.1361 | 1.0153 | 1.0180 | 0.9925 | 1.0377 | 0.9566 | 0.8664 | 1.0038 |
| Glutathione_C13-label-3 | 0.8721 | 1.1990 | 1.1624 | 1.0301 | 0.8663 | 1.1451 | 0.4995 | 1.0570 |
| Glutathione Disulfide_C12 PARENT | 1.2470 | 0.7824 | 0.8961 | 0.7177 | 0.5786 | 0.6162 | 2.9411 | 0.5281 |
| Glutathione Disulfide_C13-label-1 | 0.6753 | 0.8462 | 0.9508 | 0.9407 | 0.4913 | 0.7211 | 3.1427 | 0.4610 |
| Glutathione Disulfide_C13-label-16 | NA | NA | NA | 0.2235 | NA | 1.7809 | 1.8688 | 0.1269 |
| Glutathione Disulfide_C13-label-19 | NA | NA | NA | NA | 0.9695 | 1.0305 | NA | NA |
| Glutathione Disulfide_C13-label-2 | 0.7326 | 1.1036 | 1.7392 | 0.9330 | 0.6401 | 1.1911 | 0.8957 | 0.6702 |
| Glutathione Disulfide_C13-label-3 | 1.3387 | 1.3137 | 1.1378 | 0.7368 | 0.8843 | 0.0771 | NA | NA |
| Glyceraldehyde-3-phosphate_C12 PARENT | 1.4300 | 1.2547 | 0.7533 | 1.2259 | 0.9586 | 0.7424 | 0.9225 | 0.8906 |
| Glyceraldehyde-3-phosphate_C13-label-1 | 0.9698 | 1.3973 | 1.0683 | 1.2136 | 0.6675 | 1.1284 | 0.6966 | 0.8589 |
| Glyceraldehyde-3-phosphate_C13-label-3 | 0.9415 | 0.7408 | 0.8651 | 2.2774 | 1.1072 | 0.4543 | 0.8293 | 1.0185 |
| Glycerol 3-phosphate_C12 PARENT | 0.6899 | 1.0119 | 0.6858 | 0.4645 | 1.8712 | 1.6713 | 0.6388 | 0.5327 |
| Glycerol 3-phosphate_C13-label-1 | 0.4724 | 1.2501 | 1.3041 | 1.0753 | 0.7608 | 0.8322 | 1.3126 | 0.9753 |
| Glycerol 3-phosphate_C13-label-2 | 0.1273 | 0.8954 | 2.7166 | 0.8433 | 0.3478 | 0.5607 | 2.0771 | 0.5995 |
| Glycerol 3-phosphate_C13-label-3 | 0.5972 | 0.7897 | 1.6655 | 1.8425 | 0.8066 | 0.4235 | 1.3057 | 0.9161 |
| Glycine_C12 PARENT | 2.1581 | 0.8680 | 1.2976 | 1.3891 | 0.4844 | 0.7866 | 0.8152 | 0.6896 |
| Glycine_C13-label-1 | 1.7277 | 1.2997 | 1.2419 | 0.9815 | 0.6264 | 0.5280 | 1.0417 | 0.8637 |
| Glycine_C13-label-2 | 1.0184 | 1.0912 | 1.3396 | 0.8699 | 0.6724 | 0.9858 | 1.2322 | 0.8423 |
| Guanine_C12 PARENT | 0.5323 | 0.6075 | 1.0640 | 2.5938 | 0.8296 | 0.7277 | 1.2350 | 0.8136 |
| Guanosine_C12 PARENT | 1.1019 | 1.2424 | 0.7154 | 1.2298 | 0.8433 | 0.8067 | 1.0857 | 1.0689 |
| Guanosine_C13-label-6 | NA | NA | NA | NA | NA | NA | NA | NA |
| Guanosine_C13-label-8 | 1.1287 | 1.1263 | 1.2026 | 0.9213 | 0.9512 | 1.0606 | 0.9159 | 0.7871 |
| Histamine_C12 PARENT | 0.7689 | 1.3561 | 0.8149 | 1.2310 | 0.9576 | 1.0959 | 0.8838 | 0.8350 |
| Histamine_C13-label-1 | 0.4540 | 1.5602 | 0.8016 | 1.2775 | 0.6821 | 1.1647 | 0.6516 | 1.0774 |
| Histidine_C12 PARENT | 0.8348 | 1.3562 | 0.9815 | 1.0213 | 0.7639 | 1.2373 | 0.6934 | 0.9902 |
| Histidine_C13-label-1 | 1.1826 | 1.1942 | 0.7813 | 0.9528 | 0.8807 | 1.2326 | 0.9256 | 0.8138 |
| Homoarginine_C12 PARENT | 0.3664 | 0.2477 | 0.5056 | 0.4551 | 2.0323 | 1.1417 | 1.1094 | 1.7298 |
| Homoarginine_C13-label-1 | NA | NA | NA | NA | 1.2460 | 0.8590 | 1.2941 | 0.7850 |
| Hydroxyphenyllactate_C12 PARENT | 0.4194 | 0.8921 | 1.2463 | 0.9123 | 1.2151 | 0.7512 | 0.9459 | 1.4897 |
| Hydroxyphenyllactate_C13-label-1 | 0.5521 | 0.9008 | 1.1169 | 0.8742 | 1.1543 | 0.8591 | 1.1767 | 1.2641 |
| Hypotaurine_C12 PARENT | 0.8734 | 0.5812 | 1.0276 | 1.1181 | 0.8669 | 0.7178 | 1.3738 | 1.5365 |
| Hypotaurine_C13-label-1 | 0.6887 | 0.4320 | 0.8669 | 1.0381 | 0.6222 | 0.7072 | 1.5230 | 2.1413 |
| Hypoxanthine_C12 PARENT | 1.5398 | 1.5625 | 0.4753 | 0.6189 | 0.9449 | 0.6776 | 1.7828 | 0.5266 |
| Hypoxanthine_C13-label-1 | 0.9098 | 1.6671 | 0.3632 | 0.8979 | 1.0970 | 0.6113 | 1.7774 | 0.6969 |
| IDP_C12 PARENT | 1.5770 | 2.2406 | 0.2028 | 0.5786 | 0.5981 | 0.9891 | 1.2099 | 0.5086 |
| IDP_C13-label-1 | 1.6141 | 1.7274 | 0.3305 | 0.3804 | 0.4343 | 1.1112 | 1.1404 | 0.5450 |
| IDP_C13-label-3 | 1.8319 | 0.6011 | 0.7876 | 0.5126 | 0.6121 | 0.8838 | 2.3517 | 0.6628 |
| IDP_C13-label-6 | NA | NA | NA | NA | NA | NA | 1.0000 | NA |
| IMP_C12 PARENT | 1.3605 | 0.9074 | 0.5056 | 0.7673 | 1.0474 | 1.5668 | 1.5426 | 0.2648 |
| IMP_C13-label-1 | 2.0752 | 2.2107 | 0.2057 | 0.3140 | 1.5320 | 0.7716 | 0.7997 | 0.0929 |
| IMP_C13-label-2 | 2.8494 | 2.0233 | 0.1956 | 0.2173 | 1.4321 | 0.7265 | 0.6760 | 0.0624 |
| IMP_C13-label-3 | 1.8558 | 1.3538 | 0.1782 | 0.2623 | 1.6336 | 0.5499 | 0.6273 | NA |
| Indole-3-acetaldehyde_C12 PARENT | 0.1910 | 1.0664 | 1.6220 | 1.3905 | 0.6751 | 0.8277 | 0.7424 | 1.4421 |
| Indole-3-acetaldehyde_C13-label-5 | 0.9725 | 0.8769 | 1.0249 | 1.2468 | 0.8825 | 1.0162 | 1.1630 | 0.9044 |
| Inosine_C12 PARENT | 1.5530 | 1.9103 | 0.2402 | 0.5772 | 1.0269 | 0.4588 | 1.8130 | 0.5427 |
| Inosine_C13-label-1 | 1.6417 | 1.9089 | 0.4258 | 0.5158 | 1.0935 | 0.5119 | 1.5124 | 0.4959 |
| Inosine_C13-label-2 | 1.4077 | 1.5073 | 0.4761 | 0.4705 | 1.1409 | 0.6623 | 1.7528 | 0.5738 |
| Inositol_C12 PARENT | 0.6419 | 1.2267 | 0.9913 | 0.8372 | 0.7507 | 1.4614 | 0.9531 | 0.9150 |
| Inositol_C13-label-1 | 0.9864 | 1.2715 | 0.7977 | 0.9459 | 0.8836 | 1.0807 | 1.1197 | 0.8719 |
| Inositol_C13-label-4 | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| Isocitrate_C12 PARENT | 0.8039 | 1.0841 | 1.1095 | 0.9770 | 0.5737 | 0.9398 | 1.1768 | 1.3221 |
| Isocitrate_C13-label-1 | 0.8172 | 1.1499 | 0.7683 | 0.8352 | 1.2101 | 0.9312 | 1.1101 | 1.0712 |
| Isocitrate_C13-label-2 | 0.8345 | 0.5209 | 1.0068 | 1.3881 | 1.1959 | 0.9824 | 1.1736 | 0.9896 |
| Isocitrate_C13-label-4 | 1.4235 | 2.1053 | 0.5469 | 0.3514 | 1.0305 | 1.0886 | 0.7057 | 0.4069 |
| Isoleucine_C12 PARENT | 1.3921 | 0.6894 | 0.8774 | 0.9486 | 1.3982 | 1.0715 | 0.7769 | 0.8836 |
| Isoleucine_C13-label-1 | 1.1228 | 1.1493 | 0.8272 | 0.7754 | 1.1109 | 0.9855 | 0.9397 | 1.0288 |
| Isoleucine_C13-label-2 | 1.1416 | 0.7132 | 0.8056 | 1.0829 | 1.2528 | 1.0600 | 0.8217 | 1.1245 |
| Isovalerylglycine_C12 PARENT | 1.2405 | 1.2200 | 0.9713 | 0.6331 | 1.8823 | 0.7950 | 0.6639 | 0.5350 |
| Isovalerylglycine_C13-label-1 | 0.7245 | 1.0373 | 1.1519 | 1.1121 | 1.2079 | 1.1568 | 0.8736 | 0.6929 |
| Isovalerylglycine_C13-label-7 | NA | NA | 1.0000 | NA | NA | NA | NA | NA |
| Lactate_C12 PARENT | 1.3531 | 1.2581 | 0.8467 | 0.8980 | 0.7946 | 1.0036 | 1.1197 | 0.7927 |
| Lactate_C13-label-1 | 0.5356 | 0.4483 | 0.7509 | 0.7157 | 2.4204 | 0.5945 | 0.8057 | 1.5094 |
| Lactate_C13-label-2 | 0.5656 | 1.1697 | 2.1441 | 0.9029 | 0.4501 | 0.7749 | 1.5337 | 0.5790 |
| Lactate_C13-label-3 | 0.7479 | 1.2118 | 0.4672 | 0.4842 | 1.2029 | 0.9892 | 0.9051 | 1.6841 |
| Leucine_C12 PARENT | 0.8925 | 1.4268 | 0.5936 | 1.3130 | 0.5644 | 0.9753 | 1.2742 | 1.0035 |
| Leucine_C13-label-1 | 0.9254 | 1.1113 | 0.7836 | 0.8052 | 1.2640 | 1.0441 | 1.0067 | 0.9465 |
| Leucine_C13-label-2 | 1.0773 | 1.2868 | 0.8413 | 0.8248 | 1.2183 | 0.7562 | 1.0970 | 0.8963 |
| Lysine_C12 PARENT | 0.8486 | 1.0072 | 0.7101 | 0.7963 | 0.8530 | 1.5741 | 0.7610 | 1.1907 |
| Lysine_C13-label-1 | 0.6815 | 0.5576 | 0.9375 | 0.5323 | 1.8584 | 1.4075 | 0.7728 | 0.9283 |
| Malate_C12 PARENT | 0.9379 | 1.1217 | 0.8976 | 1.1670 | 0.8396 | 0.8201 | 1.0312 | 1.2303 |
| Malate_C13-label-1 | 0.7415 | 0.5952 | 0.4285 | 1.3346 | 0.9076 | 1.2232 | 1.3746 | 1.3564 |
| Malate_C13-label-2 | 1.0439 | 1.1631 | 0.9100 | 1.7017 | 0.4430 | 0.7476 | 1.3651 | 0.9140 |
| Malate_C13-label-3 | 0.8681 | 1.0104 | 1.2566 | 1.1056 | 0.7506 | 0.8475 | 0.9617 | 1.2450 |
| Malonic acid_C12 PARENT | 0.6360 | 1.0921 | 1.1016 | 0.5639 | 0.8554 | 1.4074 | 0.4048 | 1.5816 |
| Malonic acid_C13-label-1 | 0.3072 | 1.0077 | 1.1564 | 0.8640 | 0.9294 | 1.4934 | 0.7156 | 1.2007 |
| Mandelic acid_C12 PARENT | 0.7186 | 0.8403 | 1.1188 | 1.0462 | 1.1102 | 1.1202 | 0.8316 | 1.1225 |
| Methionine_C12 PARENT | 0.6799 | 1.0841 | 0.9029 | 1.0659 | 0.8922 | 0.9829 | 1.0193 | 1.2916 |
| Methionine_C13-label-1 | 0.6266 | 1.3831 | 0.6969 | 1.0575 | 0.9405 | 1.0313 | 0.9499 | 1.1690 |
| Methionine sulfoxide_C12 PARENT | 0.8016 | 1.1606 | 1.1553 | 1.1493 | 0.7213 | 0.9131 | 0.8889 | 1.2147 |
| Methylglutaric acid_C12 PARENT | 1.7198 | 1.0041 | 0.8453 | 0.9579 | 1.0673 | 0.7733 | 0.9733 | 0.8591 |
| Methylglutaric acid_C13-label-1 | 1.6481 | 1.3097 | 0.7434 | 0.9946 | 0.8415 | 0.8440 | 0.9692 | 0.7916 |
| Methylglutaric acid_C13-label-2 | 1.9018 | 1.0857 | 1.3173 | 0.6745 | 0.7460 | 0.8601 | 0.6691 | 0.9217 |
| Methyl-histidine_C12 PARENT | 0.5653 | 1.1152 | 1.0685 | 0.8488 | 0.5786 | 1.1926 | 1.4306 | 1.0769 |
| Methyl-histidine_C13-label-1 | 0.6997 | 0.9560 | 0.8953 | 0.9081 | 0.6562 | 1.4019 | 1.0679 | 1.2402 |
| Methyl-histidine_C13-label-3 | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| Methylmalonic acid_C12 PARENT | 0.9966 | 1.1167 | 0.8628 | 1.1508 | 0.9128 | 0.9290 | 1.0066 | 1.0584 |
| Methylmalonic acid_C13-label-1 | 0.6134 | 1.2161 | 0.5701 | 1.1858 | 0.8660 | 1.2662 | 1.0408 | 1.0907 |
| Methylmalonic acid_C13-label-2 | 0.8226 | 1.1795 | 1.3734 | 1.0754 | 0.6649 | 0.8509 | 1.1548 | 0.9459 |
| Methylmalonic acid_C13-label-3 | 0.9520 | 0.8640 | 1.3186 | 1.5936 | 0.7949 | 0.7733 | 0.9812 | 0.9534 |
| Methylmalonic acid_C13-label-4 | 0.0783 | 1.6537 | 0.3789 | 1.2093 | 1.4852 | 0.0949 | 1.0236 | 1.1015 |
| Methylmalonyl-CoA_C12 PARENT | 0.8595 | 0.6757 | 1.3415 | 0.8643 | 1.0872 | 0.9525 | 0.9886 | 1.0838 |
| Methylmalonyl-CoA_C13-label-1 | 1.1815 | 1.0239 | 0.7787 | 1.2211 | 1.2402 | 0.7389 | 1.0435 | 1.0278 |
| Methylmalonyl-CoA_C13-label-16 | NA | NA | NA | NA | NA | NA | NA | NA |
| Methylmalonyl-CoA_C13-label-2 | 0.4855 | NA | 0.9783 | 1.0555 | 0.9393 | NA | 1.0448 | 1.3977 |
| Methylmalonyl-CoA_C13-label-3 | NA | NA | NA | NA | 0.9458 | 1.0542 | NA | NA |
| Methylmalonyl-CoA_C13-label-4 | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
| Methylmalonyl-CoA_C13-label-9 | 0.8721 | NA | 0.9766 | NA | NA | NA | 1.1513 | NA |
| N-Acetyl-aspartate_C12 PARENT | 1.3748 | 0.8529 | 0.7964 | 1.2410 | 1.2902 | 1.0110 | 0.7196 | 0.8193 |
| N-Acetyl-aspartate_C13-label-1 | 0.8292 | 1.1992 | 1.0965 | 1.3149 | 0.6070 | 1.0467 | 1.0276 | 0.9311 |
| N-Acetyl-aspartate_C13-label-2 | 0.7171 | 0.9607 | 0.7883 | 1.7233 | 1.1515 | 0.8428 | 0.8470 | 1.0654 |
| N-Acetyl-aspartate_C13-label-3 | 0.9391 | 1.1760 | 0.6511 | 1.8837 | 1.2976 | 0.7561 | 0.7645 | 0.7184 |
| N-Acetyl-aspartate_C13-label-4 | 0.7302 | 0.8107 | 0.4267 | 1.7945 | 0.8236 | 0.4057 | 1.6071 | 0.9680 |
| N-Acetyl-glutamate_C12 PARENT | 0.9884 | 0.9597 | 1.1915 | 1.0696 | 0.9877 | 1.0139 | 1.1244 | 0.7245 |
| N-Acetyl-glutamate_C13-label-1 | 0.8982 | 1.1164 | 0.5878 | 1.2014 | 1.1076 | 0.8526 | 1.6474 | 0.6717 |
| N-Acetyl-L-alanine_C12 PARENT | 1.1033 | 1.3278 | 0.7462 | 0.8278 | 0.5817 | 1.2481 | 1.1201 | 0.9707 |
| N-Acetyl-L-alanine_C13-label-1 | 0.6956 | 1.4471 | 1.0574 | 0.7930 | 0.7130 | 1.0972 | 1.0785 | 0.9776 |
| N-Acetyl-L-cysteine_C12 PARENT | 0.9194 | 0.6933 | 0.9367 | 0.9152 | 0.8428 | 0.7227 | 2.1235 | 0.9901 |
| N-Acetyl-Leucine_C12 PARENT | 1.7178 | 1.5676 | 1.1868 | 0.6646 | 1.2726 | 0.7431 | 0.5708 | 0.3879 |
| N-Acetyl-Leucine_C13-label-1 | 1.9088 | 1.5706 | 0.9235 | 0.6981 | 1.0454 | 0.7670 | 0.6580 | 0.5047 |
| N-Acetyl-lysine_C12 PARENT | 0.8572 | 0.6857 | 0.7385 | 1.0589 | 1.5463 | 1.0614 | 0.8732 | 1.0906 |
| N-Acetyl-lysine_C13-label-1 | NA | 1.0050 | 0.7647 | 0.5366 | 1.4732 | 0.8847 | 0.9413 | 1.2058 |
| N-Acetyl-methionine_C12 PARENT | 1.2914 | 1.0699 | 0.8097 | 0.9428 | 0.8187 | 1.0567 | 1.0921 | 0.9634 |
| N-Acetyl-methionine_C13-label-3 | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| NAD_C12 PARENT | 0.3774 | 0.9847 | 1.0136 | 0.5987 | 1.1515 | 0.9785 | 1.1525 | 1.4773 |
| NAD_C13-label-1 | 1.0176 | 1.0676 | 0.9569 | 1.1183 | 0.9169 | 0.7731 | 1.0917 | 1.1361 |
| NAD_C13-label-2 | 1.0690 | 1.1045 | 1.0010 | 1.1377 | 0.8741 | 0.9203 | 0.9446 | 1.0115 |
| NAD_C13-label-3 | 1.0413 | 0.9599 | 0.8601 | 1.1494 | 1.0310 | 1.0234 | 0.9213 | 1.0336 |
| NAD_C13-label-4 | 1.0260 | 1.2358 | 0.9573 | 0.8292 | 1.2249 | 0.9785 | 0.8995 | 0.8065 |
| NAD_C13-label-5 | 0.9205 | 1.5240 | NA | 1.0737 | 1.0380 | 0.5959 | 0.9330 | 0.9351 |
| NADH_C12 PARENT | 0.5967 | 1.4323 | 0.7268 | 0.4262 | 1.8724 | 0.9824 | 2.2331 | 0.3360 |
| NADH_C13-label-1 | 0.7273 | 0.6206 | 0.5736 | 0.6235 | 2.2697 | 0.9495 | 1.4775 | NA |
| NADH_C13-label-17 | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
| NADH_C13-label-2 | 0.8001 | 0.9467 | 0.8621 | NA | 1.8349 | 0.8906 | NA | 0.6657 |
| NADH_C13-label-5 | 1.0126 | 0.9881 | 1.1045 | 0.6100 | 1.0655 | 1.0087 | 0.8784 | 1.1657 |
| NADH_C13-label-6 | NA | 0.9647 | NA | 0.8346 | NA | 1.0278 | 1.1450 | NA |
| NADP_C12 PARENT | 0.6831 | 1.6389 | 0.6708 | 1.2181 | 1.0234 | 0.9421 | 1.0630 | 0.7026 |
| NADP_C13-label-1 | 1.0087 | 1.0892 | NA | 0.7618 | 0.8283 | 1.2658 | 1.0920 | 0.0924 |
| NADP_C13-label-14 | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| NADP_C13-label-17 | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
| NADP_C13-label-8 | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| N-carbamoyl-aspartate_C12 PARENT | 1.0913 | 0.9902 | 1.2183 | 1.1741 | 0.8109 | 1.0521 | 0.7932 | 0.9399 |
| N-carbamoyl-aspartate_C13-label-1 | NA | NA | NA | NA | 0.9765 | 1.4642 | NA | 0.5827 |
| N-Formyl-L-methionine_C12 PARENT | 0.8100 | 1.2548 | 0.9026 | 0.9887 | 0.7595 | 1.1963 | 1.2037 | 0.8140 |
| N-Formyl-L-methionine_C13-label-5 | 0.8701 | 1.2298 | 1.2583 | 0.9059 | 0.7652 | 0.9139 | 1.1962 | 0.8738 |
| Nicotinamide_C12 PARENT | 1.3015 | 1.7434 | 0.2979 | 0.7645 | 1.1146 | 1.2888 | 0.8334 | 0.5094 |
| Nicotinamide_C13-label-1 | 0.5012 | 1.4948 | NA | 0.4262 | 2.2611 | 0.8344 | 0.7443 | NA |
| N-Methyl-L-glutamate_C12 PARENT | 1.7660 | 1.0544 | 0.7066 | 1.2172 | 0.4280 | 1.3227 | 0.9740 | 0.7204 |
| N-Methyl-L-glutamate_C13-label-1 | 1.6630 | 0.8264 | 0.7537 | 1.1790 | 0.7864 | 0.9682 | 1.1142 | 0.6982 |
| O-Phosphorylethanolamine_C12 PARENT | 1.0738 | 1.2992 | 1.0151 | 0.6373 | 0.7172 | 0.9158 | 1.1352 | 1.1574 |
| Ornithine_C12 PARENT | 0.8386 | 0.6658 | 0.7654 | 0.9237 | 2.0496 | 0.9978 | 0.6527 | 0.9558 |
| Ornithine_C13-label-1 | 0.6405 | 0.6338 | 0.9297 | 0.7740 | 1.8543 | 1.0920 | 0.6399 | 1.1939 |
| O-Succinyl-L-homoserine_C12 PARENT | 0.9978 | 0.9449 | 1.4539 | 1.2062 | 0.8258 | 0.7415 | 1.1093 | 0.8963 |
| O-Succinyl-L-homoserine_C13-label-1 | NA | 0.6024 | 0.6401 | NA | NA | NA | 2.8048 | 0.7101 |
| Phenylalanine_C12 PARENT | 0.8995 | 1.1630 | 0.4647 | 1.3341 | 1.2184 | 1.0834 | 0.7735 | 1.0095 |
| Phenylalanine_C13-label-1 | 1.0915 | 1.2843 | 0.8427 | 1.0647 | 0.9661 | 0.9429 | 0.9540 | 0.8775 |
| Phenylalanine_C13-label-2 | 1.0332 | 1.2646 | 0.6903 | 0.9350 | 1.1999 | 1.0358 | 0.7868 | 0.9655 |
| Phosphocholine_+Hac_C12 PARENT | 0.8295 | 1.2716 | 1.3756 | 0.3843 | 0.6778 | 1.0088 | 1.4500 | 0.8945 |
| Phosphocholine_+Hac_C13-label-1 | 0.8130 | 1.3296 | 1.3032 | 0.3323 | 0.4691 | 1.3245 | 1.4140 | 0.8262 |
| Phosphocholine_+Hac_C13-label-2 | NA | 1.0448 | 1.0007 | NA | NA | 0.9545 | NA | NA |
| Phosphoenolpyruvate_C12 PARENT | 1.3879 | 2.2111 | 0.3485 | 0.5863 | 0.3884 | 1.2264 | 1.0899 | 0.6415 |
| Phosphoenolpyruvate_C13-label-1 | 1.6873 | 1.5575 | 0.5204 | 0.7474 | 0.4434 | 1.5291 | 0.7742 | 0.6245 |
| Phosphoenolpyruvate_C13-label-3 | 1.1595 | 1.9531 | 0.4441 | 0.9698 | 0.3014 | 1.0031 | 0.8130 | 0.5697 |
| Proline_C12 PARENT | 0.6935 | 1.4392 | 0.8196 | 0.7943 | 0.3868 | 1.2658 | 1.2552 | 1.1721 |
| Proline_C13-label-1 | 0.8508 | 0.9492 | 1.0998 | 0.9049 | 0.7921 | 1.1397 | 1.0921 | 1.1090 |
| Proline_C13-label-2 | 1.0327 | 0.7605 | 0.6789 | 0.5252 | 0.7271 | 1.1878 | 1.6415 | 1.1796 |
| Pyridoxal_C12 PARENT | 0.5631 | 0.8953 | 1.0307 | 1.0797 | 0.7377 | 0.9977 | 1.2262 | 1.4046 |
| Pyruvate_C12 PARENT | 1.0781 | 0.9614 | 0.7631 | 1.0048 | 0.6527 | 0.9288 | 1.0728 | 1.5487 |
| Pyruvate_C13-label-1 | 0.4945 | 1.3123 | 1.0145 | 0.9025 | 0.5283 | 1.2438 | 1.4203 | 0.9388 |
| Pyruvate_C13-label-2 | 0.4775 | 1.1379 | 1.8700 | 0.5347 | 0.2403 | 0.9812 | 1.8673 | 0.8597 |
| Pyruvate_C13-label-3 | 0.5942 | 1.0749 | 1.5751 | 1.2262 | 0.3265 | 0.7401 | 1.3953 | 1.1921 |
| Ribose 5-phosphate_C12 PARENT | 0.7728 | 1.6925 | 0.5006 | 0.6707 | 0.9040 | 1.0960 | 1.2653 | 0.8921 |
| Ribose 5-phosphate_C13-label-3 | NA | NA | NA | 1.0548 | NA | NA | NA | 0.9452 |
| Ribose_C12 PARENT | 1.2630 | 0.8555 | 1.3688 | 0.7867 | 1.1528 | 0.9144 | 0.7719 | 0.9334 |
| Serine_C12 PARENT | 0.7734 | 0.8475 | 1.1513 | 0.9968 | 1.0042 | 1.1456 | 0.8357 | 1.1572 |
| Serine_C13-label-1 | 1.1307 | 1.2592 | 0.9650 | 1.0001 | 0.7732 | 1.0134 | 0.8127 | 1.0495 |
| Serine_C13-label-3 | 1.2107 | 1.2006 | 0.7092 | 1.1516 | 0.8876 | 0.9511 | 1.1234 | 0.8108 |
| Suberic acid_C12 PARENT | 1.0049 | 0.9898 | 0.8533 | 1.1229 | 1.0241 | 1.0312 | 0.9567 | 1.0219 |
| Suberic acid_C13-label-1 | 0.9813 | 1.2089 | 1.0096 | 0.9478 | 1.1336 | 0.8840 | 0.8493 | 0.9617 |
| Succinic acid_C12 PARENT | 0.9966 | 1.1167 | 0.8628 | 1.1508 | 0.9128 | 0.9290 | 1.0066 | 1.0584 |
| Succinic acid_C13-label-1 | 0.3870 | 1.3415 | 0.5962 | 1.0962 | 1.1213 | 1.1436 | 0.8907 | 1.1821 |
| Succinic acid_C13-label-2 | 0.8226 | 1.1795 | 1.3734 | 1.0754 | 0.6649 | 0.8509 | 1.1548 | 0.9459 |
| Succinic acid_C13-label-3 | 0.9520 | 0.8640 | 1.3186 | 1.5936 | 0.7949 | 0.7733 | 0.9812 | 0.9534 |
| Succinic acid_C13-label-4 | 0.0783 | 1.6537 | 0.3789 | 1.2093 | 1.4852 | 0.0949 | 1.0236 | 1.1015 |
| Taurine_C12 PARENT | 0.9765 | 1.0692 | 0.9240 | 1.0256 | 0.9894 | 0.9894 | 0.9807 | 1.0337 |
| Taurine_C13-label-1 | 1.5938 | 0.7739 | 0.4975 | 1.8330 | 1.1641 | 1.1322 | 0.7118 | 0.5694 |
| Thiamine_C12 PARENT | 0.7529 | 1.0437 | 1.1709 | 1.9962 | 0.9985 | 0.5606 | 0.7659 | 0.9790 |
| Thiamine_C13-label-1 | 1.0798 | 0.1180 | NA | 1.6119 | 1.0051 | 1.3173 | 1.2402 | 0.6226 |
| Threonine_C12 PARENT | 0.4896 | 1.3039 | 0.8372 | 0.9481 | 0.7079 | 1.2459 | 1.2440 | 1.0393 |
| Threonine_C13-label-1 | 1.1207 | 1.2145 | 0.8080 | 0.7508 | 1.1171 | 1.1751 | 0.8961 | 0.8137 |
| Thymidine_C12 PARENT | 0.9240 | 1.0983 | 0.9005 | 1.3219 | 1.2423 | 0.7572 | 0.5520 | 1.2305 |
| Thymidine_C13-label-1 | 1.0089 | 0.9285 | 0.9511 | 1.3846 | 1.1843 | 0.7647 | 0.6476 | 1.2190 |
| Thymidine_C13-label-10 | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
| Thymidine_C13-label-2 | 1.0391 | 1.0092 | 1.1043 | 0.9642 | 1.1681 | 0.8704 | 0.7212 | 1.0995 |
| Thymidine_C13-label-3 | NA | 0.5963 | NA | 0.9917 | 1.1206 | 1.0487 | 1.3854 | 0.9445 |
| Thymine_C12 PARENT | 0.9311 | 1.0871 | 1.1232 | 1.1455 | 1.1455 | 0.7143 | 0.6915 | 1.1980 |
| Tryptophan_C12 PARENT | 0.9630 | 1.1542 | 1.1672 | 1.0595 | 0.9921 | 0.7723 | 0.7506 | 1.1685 |
| Tryptophan_C13-label-1 | 1.0643 | 1.1103 | 1.0650 | 0.8252 | 1.1379 | 0.8003 | 0.7553 | 1.2128 |
| Tryptophan_C13-label-2 | 0.8089 | 1.0243 | 0.9561 | 1.0650 | 0.6509 | 0.8817 | 1.1412 | 1.4726 |
| Tyrosine_C12 PARENT | 0.9337 | 0.9086 | 0.9419 | 0.8893 | 1.0658 | 1.0262 | 1.1665 | 1.0291 |
| UDP_C12 PARENT | 1.9032 | 1.9063 | 0.3937 | 0.4449 | 1.3151 | 0.7852 | 0.9552 | 0.3335 |
| UDP-Glucose_C12 PARENT | 1.2684 | 1.6508 | 0.4510 | 0.7358 | 0.9175 | 1.1526 | 1.0200 | 0.7075 |
| UDP-Glucose_C13-label-1 | 1.2437 | 1.5432 | 0.3783 | 0.8198 | 0.7894 | 1.0540 | 1.3237 | 0.8234 |
| UDP-Glucose_C13-label-2 | 0.9066 | 1.7297 | 0.3508 | 0.8988 | 0.6957 | 1.0336 | 1.5442 | 0.7555 |
| UDP-Glucose_C13-label-3 | 0.8694 | 1.0273 | 0.6210 | 0.7655 | 1.0009 | 1.0692 | 1.7925 | 0.8269 |
| UDP-Glucose_C13-label-6 | 0.9692 | 0.8550 | NA | 1.0449 | 1.2128 | NA | 1.1020 | 0.8454 |
| UDP-Glucose_C13-label-7 | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| UDP-N-acetylglucosamine_C12 PARENT | 1.1397 | 1.0687 | 0.8906 | 1.0255 | 0.9142 | 0.9996 | 1.1471 | 0.8672 |
| UDP-N-acetylglucosamine_C13-label-1 | 1.1749 | 1.3400 | 0.8441 | 0.9802 | 1.1261 | 0.9216 | 0.9251 | 0.7105 |
| UDP-N-acetylglucosamine_C13-label-15 | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
| UDP-N-acetylglucosamine_C13-label-2 | 1.1942 | 1.1889 | 0.7291 | 0.8472 | 1.3309 | 0.7581 | 1.4222 | 0.5628 |
| UDP-N-acetylglucosamine_C13-label-3 | 1.7332 | 1.0029 | 1.0792 | 0.8777 | 0.4770 | 1.2864 | 0.8836 | 1.1094 |
| UDP-N-acetylglucosamine_C13-label-4 | NA | NA | NA | 1.0000 | NA | NA | NA | NA |
| UDP-N-acetylglucosamine_C13-label-6 | NA | NA | NA | 0.1377 | 1.8623 | NA | NA | NA |
| UMP_C12 PARENT | 1.2859 | 1.1627 | 0.4580 | 0.7121 | 2.2562 | 0.5132 | 0.9013 | 0.6880 |
| UMP_C13-label-1 | 1.1807 | 1.2482 | 0.4212 | 0.7940 | 2.1372 | 0.6057 | 0.8527 | 0.7057 |
| UMP_C13-label-9 | 0.6694 | 0.9834 | 1.2702 | 0.9011 | 0.9782 | 0.9417 | 0.9603 | 1.2141 |
| Uracil_C12 PARENT | 0.4847 | 1.2298 | 1.2486 | 0.9189 | 1.1279 | 0.6720 | 1.0843 | 1.1578 |
| Uracil_C13-label-1 | 0.8460 | 1.1544 | 1.0766 | 0.9671 | 1.1118 | 0.8390 | 1.0559 | 0.9378 |
| Uridine_C12 PARENT | 0.8286 | 1.4591 | 0.3852 | 1.4375 | 0.6628 | 0.7780 | 1.3120 | 1.2012 |
| Uridine_C13-label-1 | 0.8653 | 1.2243 | 0.8431 | 1.1875 | 0.7102 | 0.7631 | 1.3519 | 1.1313 |
| Uridine_C13-label-2 | 0.8619 | 1.5732 | 0.9745 | 0.9942 | 0.9616 | 0.7024 | 1.1882 | 0.7687 |
| UTP_C12 PARENT | 0.9238 | 1.1863 | 0.5903 | 1.1193 | 0.7215 | 1.3991 | 1.2939 | 0.7045 |
| Valine_C12 PARENT | 1.3795 | 1.3526 | 0.7162 | 1.2153 | 0.3646 | 1.1592 | 0.7675 | 1.1185 |
| Valine_C13-label-1 | 0.8968 | 1.1955 | 0.9292 | 0.9543 | 1.3118 | 0.9829 | 0.6455 | 0.9831 |
| Valine_C13-label-2 | 1.3032 | 1.0059 | 0.8835 | 0.7229 | 1.0925 | 1.1121 | 0.7592 | 1.0267 |
| Xanthine_C12 PARENT | 0.5561 | 1.8960 | 0.7976 | 0.5551 | 0.6588 | 1.0466 | 1.4250 | 0.8359 |
| Xanthine_C13-label-1 | 1.6144 | 1.3254 | 0.6431 | 0.8914 | 0.9255 | 0.6947 | 1.5732 | 0.5513 |
| Xanthine_C13-label-2 | 0.9651 | 1.0969 | NA | 0.9697 | NA | 0.9916 | 1.0057 | NA |
| Xanthurenic acid_C12 PARENT | 1.2111 | 0.8353 | 0.8455 | 0.1877 | 2.6887 | 1.1158 | 0.4559 | 0.1704 |
| Xanthurenic acid_C13-label-1 | 0.9767 | 1.4830 | 0.7287 | 1.4216 | 0.7445 | 0.8770 | 0.9498 | 0.9042 |
| Xanthurenic acid_C13-label-8 | 0.7676 | 1.0091 | 1.4560 | 0.9247 | 0.9740 | 1.0098 | 0.8901 | 0.9288 |
Factors:
| F1 | Diet:Control | | Genotype:KP |
| F2 | Diet:Control | | Genotype:PGKP |
| F3 | Diet:Control | | Genotype:PolG |
| F4 | Diet:Control | | Genotype:wt |
| F5 | Diet:Ser/Gly free | | Genotype:KP |
| F6 | Diet:Ser/Gly free | | Genotype:PGKP |
| F7 | Diet:Ser/Gly free | | Genotype:PolG |
| F8 | Diet:Ser/Gly free | | Genotype:wt |
