Data for (Study ST003890)
(Analysis AN006391)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 |
|---|---|---|---|---|---|---|---|---|
| 10-Hydroxydecanoic acid_C12 PARENT | 0.7725 | 1.2577 | 0.5185 | 0.9571 | 0.9901 | 0.9031 | 1.3533 | 1.1660 |
| 10-Hydroxydecanoic acid_C13-label-1 | 0.9743 | 1.2880 | 0.7840 | 1.0865 | 0.9997 | 0.7238 | 1.3121 | 0.9022 |
| 10-Hydroxydecanoic acid_C13-label-2 | 1.2045 | NA | NA | NA | NA | 0.7955 | NA | NA |
| 2 4-Dihydroxyacetophenone_C12 PARENT | 1.0578 | 1.1047 | 0.7787 | 0.7428 | 1.2786 | 0.7535 | 1.0056 | 1.2258 |
| 2 4-Dihydroxyacetophenone_C13-label-1 | 1.0930 | 1.3712 | 0.8553 | 0.8677 | 1.1173 | 0.6661 | 1.0828 | 0.9743 |
| 2 4-Dihydroxyacetophenone_C13-label-2 | 0.7867 | 0.8792 | 0.9001 | 1.2376 | 1.8752 | 0.4087 | 1.2154 | 0.8367 |
| 2 4-Dihydroxyacetophenone_C13-label-3 | 0.9443 | 1.4573 | 0.8086 | 1.0321 | 0.9817 | 0.6803 | 1.3611 | 0.7977 |
| 2 6-Dihydroxypyridine_C12 PARENT | 0.5371 | 1.2428 | 0.8570 | 1.3380 | 1.1070 | 0.5968 | 1.3084 | 1.0585 |
| 2 6-Dihydroxypyridine_C13-label-1 | 0.7843 | 0.9116 | 0.8613 | 1.3091 | 1.3809 | 0.6037 | 1.2740 | 0.9579 |
| 2-Aminoadipic acid_C12 PARENT | 0.7460 | 0.7660 | 0.9240 | 1.2424 | 0.2271 | 0.6306 | 1.4242 | 2.1389 |
| 2-Aminoadipic acid_C13-label-1 | 0.3253 | 0.3339 | 0.2868 | 0.4455 | 4.5718 | 0.2496 | 0.3596 | 0.8830 |
| 2-Aminoadipic acid_C13-label-2 | 0.1852 | 0.2824 | 0.1917 | 0.2669 | 2.9612 | 0.1188 | 0.2768 | 0.5023 |
| 2-Deoxyuridine_C12 PARENT | 1.0652 | 0.9426 | 0.6873 | 1.7560 | 1.6687 | 0.4345 | 0.7789 | 0.9060 |
| 2-Deoxyuridine_C13-label-1 | 1.1574 | 0.7016 | 0.8267 | 1.0651 | 1.3884 | 0.6469 | 0.5657 | 1.5497 |
| 2-Deoxyuridine_C13-label-2 | 0.9584 | 1.0988 | 0.9512 | 1.3897 | 0.8385 | 0.8302 | 0.8558 | 1.2868 |
| 2-Deoxyuridine_C13-label-3 | NA | 1.1092 | NA | 1.0994 | 0.6288 | 0.9301 | NA | 1.1827 |
| 2-Deoxyuridine_C13-label-4 | 0.1581 | NA | 0.1367 | 1.3299 | 0.1249 | NA | NA | 2.3978 |
| 2-Deoxyuridine_C13-label-6 | NA | NA | NA | 1.0000 | NA | NA | NA | NA |
| 2-Deoxyuridine_C13-label-8 | 1.4775 | 1.0684 | 0.7384 | 1.2416 | 0.9233 | NA | 0.1149 | 0.9450 |
| 2-methylcitrate_C12 PARENT | 1.5042 | 0.7559 | 0.4778 | 1.7089 | 1.6893 | 0.2992 | 0.7638 | 1.1393 |
| 2-methylcitrate_C13-label-1 | 1.6444 | 0.4204 | 0.5427 | 2.1734 | 1.4649 | 0.3297 | 0.8391 | 0.9511 |
| 2-methylcitrate_C13-label-2 | 1.7874 | 0.9136 | 0.8237 | 1.5785 | 0.6545 | 0.5740 | 1.0979 | 0.9151 |
| 2-Oxoadipic acid_C12 PARENT | 0.5542 | 0.7844 | 0.6505 | 1.0156 | 2.1085 | 0.6387 | 0.9513 | 1.1686 |
| 2-Oxoadipic acid_C13-label-1 | 0.8431 | 0.7993 | 0.6658 | 0.7753 | 2.1143 | 0.6905 | 0.9328 | 1.0568 |
| 3-Aminoisobutyrate_C12 PARENT | 0.4074 | 1.0759 | 0.8103 | 0.6218 | 1.8833 | 0.8084 | 1.6283 | 0.5771 |
| 3-Hydroxy-3-methylglutarate_C12 PARENT | 2.0272 | 1.4346 | 0.3137 | 1.2158 | 1.5554 | 0.3614 | 0.6940 | 0.6046 |
| 3-Hydroxy-3-methylglutarate_C13-label-1 | 1.3045 | 0.7828 | 0.6926 | 1.2607 | 1.7753 | 0.5111 | 0.8353 | 1.0016 |
| 3-Hydroxybutyrate_C12 PARENT | 1.4639 | 0.3367 | 0.5808 | 0.3862 | 1.5779 | 2.5212 | 0.5358 | 0.2112 |
| 3-Hydroxybutyrate_C13-label-1 | 0.9390 | 1.5156 | 0.7237 | 1.0120 | 0.7478 | 0.4964 | 1.2885 | 1.3368 |
| 3-Hydroxybutyrate_C13-label-2 | 0.7034 | 1.2061 | 1.0086 | 0.9018 | 1.1913 | 0.4359 | 1.0266 | 1.4992 |
| 3-Methoxytyramine_C12 PARENT | 1.4414 | 0.9739 | 0.9456 | 1.1244 | 0.2254 | 1.0397 | 2.2069 | 0.3633 |
| 3-Methoxytyramine_C13-label-1 | 2.0755 | 1.2256 | 0.6670 | 1.0217 | 0.4576 | 0.5657 | 1.7584 | 0.4087 |
| 3-Phosphoglycerate_C12 PARENT | 1.4683 | 0.9179 | 0.7526 | 1.1002 | 1.0845 | 1.0664 | 1.2126 | 0.5100 |
| 3-Phosphoglycerate_C13-label-1 | 1.6244 | 1.0896 | 0.5982 | 1.0726 | 0.8404 | 1.2303 | 1.4132 | 0.2816 |
| 3-Phosphoglycerate_C13-label-3 | 1.8752 | 0.7418 | 0.8066 | 1.0115 | 1.1283 | 1.1250 | 0.7283 | 0.5545 |
| 4-Guanidinobutyrate_C12 PARENT | 0.2534 | 0.2987 | 1.1679 | 0.6954 | 1.3570 | 0.7278 | 1.5531 | 1.8123 |
| 4-Guanidinobutyrate_C13-label-1 | NA | NA | 1.7284 | 0.3884 | 1.5296 | 0.2537 | 1.0588 | 1.0093 |
| 4-Guanidinobutyrate_C13-label-3 | NA | 1.0957 | 1.1541 | 0.8116 | 1.2831 | 0.4167 | 1.1799 | 0.6353 |
| 4-Pyridoxic acid_C12 PARENT | 0.6541 | 1.2629 | 0.4644 | 1.2897 | 1.3000 | 0.5481 | 1.2851 | 1.2084 |
| 4-Pyridoxic acid_C13-label-1 | 0.4349 | 1.3602 | 1.0345 | 1.2768 | 1.3177 | 0.4757 | 1.1764 | 0.9514 |
| 5-Aminolevulinate_C12 PARENT | 0.8860 | 1.1209 | 0.9325 | 0.7706 | 1.2787 | 0.5190 | 1.1572 | 1.3184 |
| 5-Aminolevulinate_C13-label-1 | 1.1632 | 1.1627 | 0.4729 | 1.1594 | 1.3519 | 0.4359 | 1.1747 | 1.2016 |
| Acetylcholine_C12 PARENT | 1.1369 | 1.6854 | 0.7553 | 0.7640 | 1.2045 | 0.9774 | 0.8213 | 0.5696 |
| Acetylcholine_C13-label-1 | 0.9825 | 1.4271 | 0.6662 | 0.5747 | 1.0629 | 0.9531 | 1.1394 | 0.9908 |
| Acetyl CoA_C12 PARENT | 1.1499 | 1.4771 | 0.3967 | 1.2210 | 0.5964 | 1.6216 | 0.9384 | 0.5237 |
| Acetyl CoA_C13-label-1 | 2.0056 | 1.1297 | 0.4821 | 1.8128 | 0.8126 | 1.0117 | 0.6799 | 0.3915 |
| Acetyl CoA_C13-label-2 | 1.6727 | 0.7827 | 0.5281 | 2.1910 | 0.3559 | 1.5206 | 0.5463 | 0.2394 |
| Acetyl CoA_C13-label-3 | 1.1524 | 0.8822 | 0.6655 | 1.0711 | NA | 1.1132 | NA | NA |
| Acetyl-tryptophan_C12 PARENT | 1.5954 | 1.3452 | 0.9832 | 0.9743 | 1.1312 | 0.7441 | 0.8100 | 0.5476 |
| Acetyl-tryptophan_C13-label-1 | 1.0396 | 1.2016 | 0.7705 | 0.8933 | 1.5229 | 0.7767 | 0.9650 | 0.8006 |
| Acetyl-tryptophan_C13-label-3 | NA | NA | 0.9069 | NA | 1.2184 | 0.9186 | 1.0262 | 1.0989 |
| Acetyl-tryptophan_C13-label-6 | 0.8947 | 1.0483 | 0.8389 | 1.0421 | 1.2600 | 1.0475 | 1.0637 | 0.7798 |
| Acetyl-tryptophan_C13-label-7 | 1.2800 | 1.1033 | 0.5830 | 0.8406 | 1.0885 | 1.3688 | 0.5740 | 1.0802 |
| Aconitate_C12 PARENT | 1.1522 | 1.3142 | 0.7711 | 1.2400 | 0.7625 | 0.8296 | 1.3389 | 0.7436 |
| Aconitate_C13-label-1 | 0.9802 | 1.5057 | 0.8303 | 1.2061 | 0.6185 | 0.9993 | 1.5997 | 0.3750 |
| Aconitate_C13-label-2 | 0.6114 | 1.6362 | 0.9550 | 0.7804 | 0.4919 | 1.2609 | 1.8249 | 0.3704 |
| Aconitate_C13-label-3 | 0.7599 | 1.8770 | 0.8132 | 0.8221 | 0.5356 | 0.9593 | 1.5453 | 0.5985 |
| Adenine_C12 PARENT | 0.8677 | 1.3488 | 0.0890 | 1.2933 | 1.4644 | 0.3618 | 1.4482 | 1.1978 |
| Adenine_C13-label-1 | 0.5078 | 1.4684 | 0.5328 | 1.2752 | 1.3433 | 0.4657 | 1.2740 | 1.1196 |
| Adenine_C13-label-2 | NA | 1.2474 | 1.2320 | 0.7340 | 0.7719 | 0.3339 | 1.4131 | 0.9070 |
| Adenosine_C12 PARENT | 1.0685 | 1.0094 | 0.9265 | 0.7112 | 1.5557 | 0.5675 | 0.9031 | 1.2327 |
| Adenosine_C13-label-1 | 0.8284 | 1.4247 | 1.0434 | 0.5507 | 1.3610 | 0.7572 | 0.7101 | 1.1466 |
| Adenosine_C13-label-2 | 0.9865 | 0.8132 | 0.9995 | 0.7312 | 1.4338 | 0.8652 | 1.1725 | 0.9614 |
| Adenosine_C13-label-7 | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
| ADP_C12 PARENT | 1.2525 | 1.6282 | 0.5088 | 1.0787 | 1.2960 | 0.3824 | 1.3716 | 0.6475 |
| ADP_C13-label-1 | 1.3606 | 1.0712 | 0.5989 | 1.3046 | 1.0523 | 1.0654 | 1.1609 | 0.5419 |
| ADP_C13-label-2 | 1.5417 | 1.4948 | 0.6241 | 1.1502 | 0.7857 | 0.9772 | 1.0258 | 0.4945 |
| ADP-ribose_C12 PARENT | 1.4377 | 0.9136 | 0.5219 | 1.2236 | 1.4814 | 0.5974 | 1.4157 | 0.6462 |
| ADP-ribose_C13-label-1 | 0.7474 | 0.8699 | 0.6077 | 1.1768 | 1.7434 | 0.7112 | 1.5536 | 0.5914 |
| ADP-ribose_C13-label-14 | NA | 0.4471 | 0.5793 | 0.0817 | 0.4364 | 1.0834 | 2.0235 | 1.0335 |
| ADP-ribose_C13-label-2 | 1.1514 | 0.8863 | 0.4080 | 1.3528 | 1.3557 | 0.8270 | 1.7543 | 0.3471 |
| ADP-ribose_C13-label-3 | 1.2154 | 0.8264 | 0.4371 | 1.0905 | 1.2504 | 0.7710 | 2.0034 | 0.3377 |
| ADP-ribose_C13-label-4 | 1.1609 | 0.7497 | 0.3962 | 1.0545 | 0.7573 | 0.6467 | 2.1348 | 0.3229 |
| Alanine_C12 PARENT | 1.0115 | 0.3403 | 0.3760 | 0.7821 | 1.9078 | 1.1138 | 0.4392 | 1.7848 |
| Alanine_C13-label-1 | 0.7103 | 1.8844 | 1.0274 | 0.9348 | 0.6980 | 0.6974 | 1.4399 | 0.6163 |
| Alanine_C13-label-2 | 0.4532 | 2.2886 | 0.9121 | 0.5967 | 0.5222 | 0.8307 | 1.6876 | 0.5474 |
| Alanine_C13-label-3 | 0.8097 | 1.7815 | 0.8114 | 1.1758 | 0.8168 | 0.6626 | 1.0047 | 0.9552 |
| Allantoin_C12 PARENT | 1.0970 | 1.5079 | 0.7451 | 0.8721 | 1.2130 | 0.8468 | 0.8663 | 0.8092 |
| Allantoin_C13-label-1 | 0.9759 | 1.3615 | 0.7958 | 1.0126 | 1.2198 | 0.7590 | 0.9731 | 0.9004 |
| Allantoin_C13-label-2 | 1.2155 | 0.9627 | 0.8748 | 1.0727 | 1.0283 | 0.7021 | 1.0785 | 1.0618 |
| Alpha-Ketoglutarate_C12 PARENT | 0.8446 | 0.9147 | 0.9729 | 1.1561 | 0.7336 | 0.9636 | 1.7309 | 0.7895 |
| Alpha-Ketoglutarate_C13-label-1 | 0.7735 | 0.7097 | 1.0733 | 0.8837 | 0.6770 | 1.2096 | 1.8315 | 0.8431 |
| Alpha-Ketoglutarate_C13-label-2 | 0.7065 | 0.7604 | 1.1272 | 0.9806 | 0.3854 | 0.4564 | 3.2585 | 0.6540 |
| Alpha-Ketoglutarate_C13-label-3 | 0.4725 | 0.6642 | 0.7811 | 0.8964 | 0.3961 | 1.3518 | 2.4752 | 0.5815 |
| AMP_C12 PARENT | 0.8411 | 0.7049 | 0.6543 | 0.5036 | 0.6541 | 2.6681 | 0.5826 | 0.8568 |
| AMP_C13-label-1 | 1.5584 | 1.8550 | 0.3746 | 0.9600 | 1.6298 | 0.4719 | 0.3368 | 0.8530 |
| AMP_C13-label-2 | 0.8435 | 1.3512 | 0.8085 | 1.0439 | 1.1302 | 0.5180 | 1.3583 | 1.0069 |
| AMP_C13-label-3 | 0.7335 | 1.2171 | 0.8633 | 1.0377 | 1.2224 | 0.4266 | 1.4363 | 1.0405 |
| AMP_C13-label-4 | 1.0326 | 1.3687 | 0.6419 | 0.9801 | 1.0565 | 0.4695 | 1.3723 | 1.0409 |
| AMP_C13-label-5 | 1.2169 | 1.3974 | 0.7061 | 0.7568 | 1.3539 | 0.4921 | 1.1242 | 0.8874 |
| Anserine_C12 PARENT | 0.7048 | 1.4933 | 0.6809 | 1.2981 | 0.9008 | 0.5617 | 1.1796 | 1.1788 |
| Anserine_C13-label-1 | 1.3721 | 0.7227 | 0.3126 | 1.4788 | 0.7630 | 0.7790 | 1.0261 | 1.6038 |
| Arginine_C12 PARENT | 1.1219 | 1.2018 | 0.8351 | 0.8714 | 1.5994 | 0.5651 | 0.7715 | 1.0378 |
| Arginine_C13-label-1 | 1.0136 | 1.2353 | 0.9394 | 1.1987 | 1.6667 | 0.5755 | 0.5757 | 0.7778 |
| Arginine_C13-label-6 | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
| Arginino-succinate_C12 PARENT | 0.9747 | 0.8728 | 0.8825 | 1.3941 | 1.7307 | 0.5765 | 0.8136 | 0.8606 |
| Arginino-succinate_C13-label-1 | 0.8793 | 0.7274 | 0.8663 | 0.7531 | 2.1550 | 0.6885 | 0.9850 | 0.6575 |
| Arginino-succinate_C13-label-2 | 0.6673 | 1.2848 | 0.9727 | 1.2060 | 0.9492 | 1.0028 | 0.8327 | 0.7364 |
| Arginino-succinate_C13-label-3 | 0.9303 | NA | 0.8405 | 0.9788 | 1.2504 | NA | NA | NA |
| Arginino-succinate_C13-label-6 | NA | NA | NA | 1.0000 | NA | NA | NA | NA |
| Asparagine_C12 PARENT | 0.8269 | 1.3467 | 0.9321 | 1.5800 | 1.3043 | 0.6391 | 0.8229 | 0.6808 |
| Asparagine_C13-label-1 | 0.9410 | 1.1632 | 0.8166 | 0.9406 | 1.2311 | 0.7931 | 1.2843 | 0.7845 |
| Asparagine_C13-label-2 | 0.5668 | 0.8298 | 0.8676 | 0.5289 | 1.2155 | 1.2232 | 1.9582 | 0.5648 |
| Asparagine_C13-label-3 | 0.5610 | NA | 0.7488 | 0.4398 | 0.7620 | 0.8008 | 1.8163 | 0.7937 |
| Aspartate_C12 PARENT | 1.6910 | 1.8236 | 1.1557 | 1.0977 | 0.2082 | 0.5801 | 1.0010 | 0.7504 |
| Aspartate_C13-label-1 | 0.5984 | 1.0911 | 0.9680 | 0.9075 | 1.2848 | 0.5809 | 1.4851 | 1.0677 |
| Aspartate_C13-label-2 | 0.4032 | 1.3646 | 1.2014 | 0.6495 | 1.0445 | 0.7697 | 1.5749 | 0.8653 |
| Aspartate_C13-label-3 | 0.5761 | 1.0773 | 1.2572 | 0.8330 | 1.1294 | 0.6594 | 1.6195 | 0.8411 |
| Aspartate_C13-label-4 | 0.4807 | 0.9955 | 1.1265 | 0.6150 | 1.1328 | 1.0105 | 1.6625 | 0.7960 |
| ATP_C12 PARENT | 1.3569 | 1.5854 | 0.5020 | 1.3831 | 0.5793 | 1.0064 | 1.1775 | 0.5742 |
| ATP_C13-label-1 | 1.5755 | 1.5584 | 0.5305 | 1.3263 | 0.4869 | 1.0411 | 1.0716 | 0.5434 |
| ATP_C13-label-2 | 1.2699 | 1.3819 | 0.5887 | 1.2886 | 0.7037 | 1.1855 | 0.9205 | 0.5963 |
| Carnosine_C12 PARENT | 1.1930 | 1.1811 | 0.5017 | 1.8679 | 1.2486 | 0.5030 | 0.5224 | 1.1457 |
| Carnosine_C13-label-1 | 1.2229 | 0.6925 | 0.3248 | 3.2806 | 0.9374 | 0.2679 | NA | 0.8115 |
| CDP-choline_C12 PARENT | 0.6789 | 0.8679 | 0.7353 | 1.2132 | 1.4975 | 0.7126 | 1.2172 | 1.0398 |
| CDP-choline_C13-label-1 | 1.0799 | 0.7488 | 0.7166 | 1.1863 | 1.3987 | 0.6384 | 1.0351 | 1.1962 |
| CDP-choline_C13-label-2 | 0.8693 | 0.9107 | 0.9723 | 1.1216 | 1.4477 | 0.5626 | 1.1779 | 0.9527 |
| CDP-choline_C13-label-3 | 0.7680 | 0.8011 | 1.2188 | 0.8626 | 1.1974 | 0.8420 | 1.4442 | 0.7101 |
| CDP-choline_C13-label-4 | 1.4033 | NA | 1.1981 | 1.3716 | NA | 0.8779 | 0.7540 | 0.1122 |
| CDP-ethanolamine_C12 PARENT | 1.1731 | 0.6474 | 0.8293 | 0.9831 | 1.4418 | 0.4967 | 1.3170 | 1.2490 |
| CDP-ethanolamine_C13-label-1 | 0.9595 | 0.9070 | 0.6858 | 0.9015 | 1.4589 | 0.5328 | 1.1952 | 1.3026 |
| CDP-ethanolamine_C13-label-2 | 0.9791 | 0.9237 | 0.8628 | 1.3232 | 1.2981 | 0.3931 | 1.1980 | 1.0975 |
| CDP-ethanolamine_C13-label-3 | 1.6816 | 0.8319 | 0.5553 | 0.7297 | 1.4295 | 0.4848 | 1.4251 | 0.7965 |
| Citramalate_C12 PARENT | 1.1807 | 0.9498 | 1.4673 | 0.5556 | 0.5190 | 1.3937 | 1.2921 | 0.6188 |
| Citramalate_C13-label-1 | 1.1189 | 1.4101 | 0.8823 | 1.0145 | 1.2284 | 0.7888 | 0.6453 | 0.9127 |
| Citramalate_C13-label-2 | 0.8816 | 1.3222 | 0.7978 | 1.5286 | 0.4906 | 0.6433 | 1.1868 | 1.3150 |
| Citramalate_C13-label-3 | 0.8880 | 1.3510 | 0.8003 | 0.9864 | 0.6966 | 0.7925 | 1.0381 | 1.3882 |
| Citrate_C12 PARENT | 1.6760 | 1.1744 | 0.9091 | 0.8383 | 1.0043 | 0.1165 | 1.8510 | 0.8121 |
| Citrate_C13-label-1 | 0.8072 | 0.9560 | 0.8548 | 1.0536 | 0.9475 | 1.2440 | 1.4807 | 0.6294 |
| Citrate_C13-label-2 | 1.2788 | 1.0279 | 0.8581 | 0.7093 | 0.7355 | 1.1475 | 1.7762 | 0.5328 |
| Citrate_C13-label-3 | 1.0394 | 1.0061 | 0.9092 | 1.0404 | 0.7412 | 1.4724 | 1.4820 | 0.3075 |
| Citrate_C13-label-4 | 1.5880 | 1.3140 | 0.7950 | 0.9139 | 0.4940 | 1.3389 | 1.2024 | 0.5416 |
| Citrulline_C12 PARENT | 0.6985 | 1.0835 | 0.5306 | 1.1368 | 2.8367 | 0.3486 | 0.6056 | 0.6822 |
| Citrulline_C13-label-1 | 0.8754 | 0.8949 | 0.5112 | 0.9414 | 2.6631 | 0.4256 | 0.4803 | 1.0239 |
| Citrulline_C13-label-2 | 0.0707 | 0.5063 | 0.5019 | 0.5696 | 2.7039 | 0.6335 | 0.3194 | 0.8267 |
| CMP_C12 PARENT | 1.2467 | 0.9659 | 0.5867 | 1.4306 | 1.3920 | 0.5262 | 0.9495 | 1.0974 |
| CMP_C13-label-1 | 0.6973 | 1.4189 | 0.8109 | 1.3909 | 1.1411 | 0.6093 | 0.8642 | 1.0191 |
| CMP_C13-label-2 | 0.9204 | 1.5279 | 0.9530 | 1.2886 | 1.1815 | 0.5627 | 0.8622 | 0.6611 |
| CMP_C13-label-3 | NA | 1.0313 | 1.3819 | NA | 0.9064 | 0.8929 | 0.9739 | 1.0864 |
| Coenzyme A_C12 PARENT | 1.3625 | 0.6578 | 0.4839 | 1.0943 | 1.3722 | 0.5217 | 2.0733 | 0.7128 |
| Coenzyme A_C13-label-1 | 1.2980 | 0.5777 | 0.6615 | 0.9235 | 1.2491 | 0.6336 | 2.0242 | 0.7454 |
| Coenzyme A_C13-label-13 | NA | 1.3811 | NA | NA | 0.6189 | NA | NA | NA |
| Coenzyme A_C13-label-2 | 1.0939 | 0.6475 | 0.4263 | 1.1890 | 1.1742 | 0.6623 | 2.0918 | 0.7376 |
| Coenzyme A_C13-label-21 | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
| Coenzyme A_C13-label-3 | 1.5089 | 0.4831 | 0.8653 | 0.8442 | 0.8356 | 0.9329 | 1.7758 | 0.3152 |
| Coenzyme A_C13-label-4 | 0.9583 | NA | NA | NA | 1.1639 | NA | 0.8778 | NA |
| Creatine_C12 PARENT | 1.3245 | 1.4114 | 0.6944 | 1.3752 | 1.0846 | 0.4896 | 0.7480 | 1.0655 |
| Creatine_C13-label-1 | 0.9185 | 1.3284 | 0.8259 | 0.8535 | 1.3764 | 0.5865 | 0.6619 | 1.3105 |
| Creatine_C13-label-2 | 0.9981 | 0.8993 | 1.1938 | 1.0143 | 0.8740 | NA | 0.8050 | 1.0750 |
| Creatine phosphate_C12 PARENT | 1.5500 | 1.4950 | 0.6141 | 1.5172 | 1.2717 | 0.4605 | 0.2783 | 0.9599 |
| Creatine phosphate_C13-label-1 | 1.0877 | 0.5551 | 0.7075 | 1.4680 | 1.6470 | 0.4175 | 0.2997 | 1.2365 |
| Creatine phosphate_C13-label-2 | 1.1320 | 0.8680 | NA | NA | NA | NA | NA | NA |
| Creatine phosphate_C13-label-4 | NA | 1.7695 | NA | 0.2305 | NA | NA | NA | NA |
| Creatinine_C12 PARENT | 0.5013 | 1.1599 | 0.5776 | 2.7759 | 1.0236 | 0.5292 | 0.8798 | 0.9074 |
| Creatinine_C13-label-1 | 0.8601 | 0.9493 | 0.8357 | 2.8452 | 1.0219 | 0.4399 | 0.6459 | 0.8717 |
| Cytidine_C12 PARENT | 0.9302 | 0.9364 | 0.6354 | 1.1536 | 2.1269 | 0.3381 | 0.6701 | 1.1340 |
| Cytidine_C13-label-1 | 0.8331 | 0.8789 | 0.7757 | 1.1588 | 1.8307 | 0.2891 | 0.8321 | 1.2940 |
| Dimethyl-arginine_C12 PARENT | 0.3509 | 1.2127 | 0.7486 | 0.9998 | 2.0032 | 0.5633 | 0.9612 | 0.8973 |
| Dimethyl-arginine_C13-label-1 | 1.1158 | 1.0004 | 0.6585 | 1.1714 | 1.9028 | 0.4671 | 0.6252 | 0.6209 |
| Erythritol_C12 PARENT | 0.6681 | 1.4771 | 1.1602 | 1.3479 | 0.6784 | 0.5836 | 1.3868 | 0.8629 |
| Erythritol_C13-label-1 | NA | 2.3211 | NA | 0.8088 | NA | 0.7112 | 0.7366 | NA |
| FAD_C12 PARENT | 1.3521 | 1.3155 | 0.6276 | 0.7639 | 1.0932 | 0.6661 | 1.5851 | 0.6601 |
| FAD_C13-label-1 | 1.2036 | 0.9628 | 0.7493 | 1.1511 | 1.2293 | 0.6816 | 1.4595 | 0.6938 |
| FAD_C13-label-10 | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
| FAD_C13-label-2 | 1.8174 | 0.8303 | 0.5886 | 0.9393 | 1.0643 | 0.6085 | 1.1470 | 1.0117 |
| FAD_C13-label-22 | NA | NA | 1.1421 | NA | NA | NA | NA | 0.8579 |
| FAD_C13-label-23 | NA | NA | NA | NA | NA | NA | 1.3098 | 0.6902 |
| FAD_C13-label-3 | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
| FAD_C13-label-4 | NA | NA | NA | NA | NA | NA | 1.0000 | NA |
| Fructose 6-phosphate_C12 PARENT | 1.6023 | 1.6151 | 0.4208 | 1.4831 | 0.5163 | 1.4392 | 0.7218 | 0.3263 |
| Fructose 6-phosphate_C13-label-1 | 1.1990 | 1.0565 | 0.7010 | 1.3375 | 0.5362 | 1.7192 | 0.8171 | 0.5725 |
| Fructose 6-phosphate_C13-label-2 | 1.0261 | 1.4695 | 0.9323 | 0.6647 | 0.3023 | 2.0907 | 0.7398 | 0.6201 |
| Fructose 6-phosphate_C13-label-3 | 0.7366 | 1.2368 | 0.8567 | 1.1275 | 0.6274 | 1.2486 | 1.0912 | 0.9880 |
| Fructose 6-phosphate_C13-label-5 | 0.8812 | 1.0570 | 0.6630 | 0.9636 | 0.9107 | 2.0018 | NA | 0.9103 |
| Fructose 6-phosphate_C13-label-6 | 1.1994 | 1.1919 | 0.7772 | 1.3630 | 1.0765 | 0.9512 | 0.3652 | 1.0431 |
| Fumarate_C12 PARENT | 1.1272 | 1.5365 | 0.5966 | 0.9631 | 0.8383 | 0.7300 | 0.9238 | 1.2804 |
| Fumarate_C13-label-1 | 0.6198 | 1.2559 | 1.4155 | 0.0968 | 0.8553 | 0.9889 | 1.8714 | 0.7151 |
| Fumarate_C13-label-2 | 0.4511 | 1.4863 | 1.4074 | 0.6498 | 0.4888 | 1.3572 | 1.4126 | 0.6071 |
| Fumarate_C13-label-3 | 0.4310 | 1.3940 | 1.2473 | 0.5661 | 0.7641 | 0.9838 | 1.6809 | 0.7813 |
| Galactitol_C12 PARENT | 1.0188 | 1.0710 | 0.8686 | 0.9733 | 1.2676 | 0.5402 | 1.5202 | 0.8592 |
| Galactitol_C13-label-1 | 0.8530 | 1.6036 | 0.8153 | 0.8843 | 1.0607 | 0.5265 | 1.2789 | 0.9837 |
| Galactitol_C13-label-3 | 0.8766 | 1.4191 | 1.5870 | 0.8623 | 1.2134 | 0.3455 | 0.4647 | 1.3982 |
| Galactitol_C13-label-6 | 1.3376 | 0.5978 | 0.7674 | 0.9799 | 1.4393 | 0.1698 | 0.5054 | 1.6638 |
| GDP_C12 PARENT | 1.5571 | 1.2820 | 0.5221 | 1.1341 | 1.1403 | 0.7176 | 1.1965 | 0.6478 |
| Glucose 6-phosphate_C12 PARENT | 1.3730 | 1.3413 | 0.4577 | 1.5521 | 0.1670 | 2.2597 | 0.3928 | 0.3765 |
| Glucose 6-phosphate_C13-label-1 | 1.3507 | 1.8257 | 0.3424 | 1.1678 | 0.3736 | 1.8783 | 0.5960 | 0.3365 |
| Glucose 6-phosphate_C13-label-2 | 1.0459 | 1.8702 | 0.3242 | 0.6017 | 0.3061 | 2.1297 | 0.8397 | 0.5010 |
| Glucose 6-phosphate_C13-label-3 | 1.0200 | 1.7154 | 0.4954 | 0.7118 | 0.4947 | 1.6976 | 0.8533 | 0.6980 |
| Glucose 6-phosphate_C13-label-4 | 1.5611 | 1.2193 | 0.2613 | 1.0486 | 0.5765 | 2.0181 | 0.4934 | 0.3819 |
| Glucose 6-phosphate_C13-label-5 | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| Glucose 6-phosphate_C13-label-6 | 1.1699 | 1.4861 | 0.2986 | 1.3705 | 0.9209 | 1.3206 | 0.3158 | 0.8736 |
| Glucose_C12 PARENT | 1.0162 | 1.0050 | 2.4500 | 0.8564 | 0.7502 | 0.9218 | 0.5141 | 0.5988 |
| Glucose_C13-label-1 | 0.4656 | 0.8827 | 0.5746 | 2.0239 | 1.1673 | 0.8131 | 1.2907 | 0.9294 |
| Glucose_C13-label-2 | 0.7957 | 2.4897 | 0.6003 | 0.4533 | 0.8165 | 1.2441 | 0.9785 | 0.3122 |
| Glucose_C13-label-3 | 0.6178 | 2.0219 | 0.5023 | 0.8144 | 0.9944 | 0.9950 | 1.1367 | 0.7044 |
| Glucose_C13-label-4 | 1.2229 | 2.1598 | 0.4289 | 0.6898 | 0.6779 | 1.1424 | 0.9896 | 0.5806 |
| Glucose_C13-label-5 | 1.5066 | 1.3403 | 0.3696 | 1.1228 | 1.4495 | 0.7251 | 0.7618 | 0.8193 |
| Glucose_C13-label-6 | 2.2241 | 1.4112 | 0.4303 | 1.3100 | 1.2568 | 0.5618 | 0.7090 | 0.4747 |
| Glucuronic acid_C12 PARENT | 1.0111 | 0.9040 | 0.8568 | 1.0573 | 1.1127 | 0.4895 | 1.1385 | 1.5220 |
| Glucuronic acid_C13-label-1 | 0.7882 | 1.3686 | 0.8702 | 0.9781 | 1.0403 | 0.5423 | 1.2999 | 1.1353 |
| Glucuronic acid_C13-label-2 | 0.6039 | 0.9410 | 1.0292 | 0.8137 | 1.0104 | 0.8358 | 1.9401 | 0.7979 |
| Glucuronic acid_C13-label-3 | 0.6847 | 1.6475 | 0.8022 | 0.7405 | 0.8105 | 0.7031 | 1.1451 | 1.2946 |
| Glucuronic acid_C13-label-4 | 0.8270 | 1.9276 | 0.6802 | 0.4615 | 0.9133 | 0.7296 | 1.4672 | 0.8500 |
| Glucuronic acid_C13-label-5 | 0.9174 | 1.9012 | 0.6143 | 1.0352 | 0.5410 | 0.8186 | 0.9224 | 1.1150 |
| Glucuronic acid_C13-label-6 | 1.5246 | 1.1599 | 0.4143 | 1.9178 | 1.1832 | 0.4124 | 0.4935 | 1.0667 |
| Glucuronolactone_C12 PARENT | 0.9662 | 1.2194 | 0.6610 | 1.5301 | 1.3307 | 0.5167 | 0.8435 | 1.0725 |
| Glucuronolactone_C13-label-1 | 0.5610 | 1.3164 | 0.8477 | 0.9492 | 1.2209 | 0.6344 | 1.1664 | 1.1156 |
| Glutamate_C12 PARENT | 0.5410 | 0.7133 | 1.2691 | 0.6885 | 0.9928 | 1.5200 | 1.1404 | 0.8990 |
| Glutamate_C13-label-1 | 2.0608 | 0.9413 | 0.3243 | 1.6053 | 1.4071 | 0.6824 | 0.3337 | 0.9748 |
| Glutamate_C13-label-2 | 0.7352 | 1.1889 | 0.9634 | 0.9619 | 0.6072 | 0.6064 | 2.2930 | 0.7932 |
| Glutamate_C13-label-3 | 0.4077 | 0.9997 | 0.7738 | 0.6288 | 1.0210 | 0.6742 | 2.4371 | 0.9555 |
| Glutamate_C13-label-4 | 0.6022 | 0.9151 | 1.1100 | 0.7549 | 0.9111 | 0.7583 | 1.6509 | 1.1469 |
| Glutamine_C12 PARENT | 0.9385 | 1.1137 | 1.0077 | 1.2058 | 1.1843 | 0.6848 | 1.0623 | 0.8991 |
| Glutamine_C13-label-1 | 0.7969 | 0.5025 | 0.5246 | 0.2135 | 1.8329 | 1.3065 | 0.4641 | 1.8880 |
| Glutamine_C13-label-2 | 1.3530 | 0.6894 | 0.9428 | 1.0490 | 0.3924 | 0.8319 | 2.3669 | 0.7004 |
| Glutamine_C13-label-3 | 0.9066 | 0.9245 | 0.7077 | 1.1199 | 1.1618 | 0.6937 | 1.6506 | 0.9378 |
| Glutamine_C13-label-4 | 1.0313 | 1.1521 | 0.7244 | 1.0270 | 0.9203 | 0.7761 | 1.4935 | 0.8838 |
| Glutamine_C13-label-5 | 1.3611 | NA | 0.2770 | 2.1118 | 1.0308 | NA | 0.5054 | 1.0490 |
| Glutaric acid_C12 PARENT | 0.7033 | 1.1144 | 0.3171 | 1.0575 | 2.1706 | 0.6104 | 0.9051 | 0.9979 |
| Glutaric acid_C13-label-1 | 0.7774 | 0.8762 | 0.4192 | 0.9412 | 1.9841 | 0.6102 | 0.9168 | 1.3554 |
| Glutathione_C12 PARENT | 1.0386 | 1.2811 | 1.2610 | 0.9785 | 1.0955 | 0.6839 | 0.7970 | 0.9228 |
| Glutathione_C13-label-1 | 1.2076 | 0.5402 | 0.5281 | 0.5661 | 0.6962 | 1.5634 | 0.5970 | 2.0312 |
| Glutathione_C13-label-2 | 0.3784 | 1.6946 | 0.6989 | 1.2687 | 1.0943 | 1.1075 | 1.0094 | 0.5904 |
| Glutathione_C13-label-3 | 0.3780 | 1.8970 | 0.9118 | 0.9451 | 0.6962 | 0.8391 | 1.2559 | 0.9305 |
| Glutathione_C13-label-4 | 0.7707 | 1.4446 | 0.6615 | 0.8301 | 0.9115 | 0.8917 | 1.5645 | 0.8436 |
| Glutathione_C13-label-5 | 0.4587 | 1.8757 | 0.6685 | 0.3113 | 0.5726 | 1.1411 | 1.5327 | 0.5843 |
| Glutathione Disulfide_C12 PARENT | 0.9082 | 0.9367 | 0.9617 | 1.4346 | 1.1283 | 0.5891 | 0.7979 | 1.3658 |
| Glutathione Disulfide_C13-label-1 | 0.8318 | 0.8925 | 0.9418 | 1.1010 | 1.3870 | 0.5089 | 0.9876 | 1.3902 |
| Glutathione Disulfide_C13-label-13 | NA | NA | NA | 1.0000 | NA | NA | NA | NA |
| Glutathione Disulfide_C13-label-2 | 0.5961 | 0.9082 | 0.5495 | 1.3447 | 1.4039 | 0.7990 | 1.3809 | 1.0195 |
| Glutathione Disulfide_C13-label-3 | 0.5908 | 0.8967 | 0.9888 | 0.9248 | 1.1712 | 0.8316 | 1.3431 | 1.1604 |
| Glutathione Disulfide_C13-label-4 | 0.4335 | 1.0603 | 1.4232 | 1.0342 | 0.8273 | 1.0118 | 1.7309 | 0.5519 |
| Glutathione Disulfide_C13-label-5 | 0.7528 | 1.0821 | 1.3530 | 0.7026 | 1.0496 | 1.1478 | 1.1856 | 0.6597 |
| Glutathione Disulfide_C13-label-7 | NA | NA | 1.0000 | NA | NA | NA | NA | NA |
| Glyceraldehyde-3-phosphate_C12 PARENT | 0.7828 | 1.2335 | 0.7821 | 1.2311 | 1.0160 | 0.8366 | 1.2756 | 0.8545 |
| Glyceraldehyde-3-phosphate_C13-label-1 | 0.6501 | 1.2562 | 0.8701 | 0.9058 | 0.8950 | 0.8206 | 1.4326 | 1.0674 |
| Glyceraldehyde-3-phosphate_C13-label-3 | 0.1580 | 0.9795 | 1.3625 | 1.0009 | 1.3537 | 0.3789 | 0.9222 | 1.4940 |
| Glycerol 3-phosphate_C12 PARENT | 1.1995 | 0.7332 | 0.4423 | 1.4380 | 1.0848 | 1.0204 | 1.2738 | 0.9468 |
| Glycerol 3-phosphate_C13-label-1 | 1.0116 | 1.1914 | 0.5422 | 1.2397 | 1.0144 | 0.6578 | 1.4175 | 1.0403 |
| Glycerol 3-phosphate_C13-label-2 | 0.7619 | 1.7733 | 0.6951 | 0.3989 | 0.7590 | 1.0700 | 1.7334 | 0.6198 |
| Glycerol 3-phosphate_C13-label-3 | 1.3711 | 1.1957 | 0.5490 | 1.0556 | 1.1655 | 0.9883 | 0.7287 | 0.9649 |
| Glycine_C12 PARENT | 1.1379 | 0.9022 | 0.7875 | 0.9811 | 1.1438 | 0.6432 | 0.9902 | 1.4673 |
| Glycine_C13-label-1 | 1.0951 | 1.4313 | 0.8028 | 1.1142 | 0.9765 | 0.6548 | 1.1048 | 0.8671 |
| Glycine_C13-label-2 | 0.9504 | 1.8026 | 0.3764 | 0.7182 | 0.8976 | 0.8045 | 1.6429 | 0.7155 |
| GMP_C12 PARENT | 0.1460 | 0.6935 | 1.0171 | 1.0297 | 1.6594 | 0.5106 | 1.6950 | 1.1847 |
| GMP_C13-label-1 | 0.8668 | 1.1967 | 0.7513 | 1.0475 | 1.2612 | 0.3957 | 1.5863 | 1.0046 |
| GMP_C13-label-2 | 1.0004 | 1.1484 | 0.8066 | 1.2211 | 1.0873 | 0.5196 | 1.1608 | 1.0868 |
| GMP_C13-label-3 | 1.0874 | 1.1613 | 0.4402 | 1.0078 | 1.1467 | 0.4629 | 1.7948 | 1.0364 |
| GMP_C13-label-4 | 1.0507 | 1.1747 | 0.6767 | 0.7982 | 1.2091 | 0.4314 | 1.4922 | 0.9230 |
| GMP_C13-label-8 | 0.5875 | 0.2218 | 0.3489 | 0.7060 | 2.9143 | 0.3532 | 1.9153 | 0.7701 |
| GTP_C12 PARENT | 0.9955 | 2.3494 | 0.6260 | 0.8549 | 0.6296 | 0.8630 | 0.8685 | 0.5231 |
| Guanidineacetic acid_C12 PARENT | 0.7459 | 1.2008 | 0.9466 | 0.6719 | 1.4698 | 0.8389 | 0.7111 | 1.1997 |
| Guanidineacetic acid_C13-label-1 | 0.6872 | 0.8635 | 1.0798 | 1.1992 | 1.3938 | 0.7365 | 0.8050 | 1.1477 |
| Guanidinosuccinic acid_C12 PARENT | 0.4664 | 2.4067 | 1.8798 | 0.6132 | 0.2818 | 0.1384 | 0.0986 | 0.0098 |
| Guanidinosuccinic acid_C13-label-1 | 0.5683 | 1.6638 | 1.5555 | 1.6703 | 0.3216 | 0.1724 | 0.1523 | 0.2676 |
| Guanidinosuccinic acid_C13-label-3 | NA | 1.3148 | 0.8110 | NA | NA | 0.4964 | NA | NA |
| Guanine_C12 PARENT | 0.6446 | 0.9491 | 0.7550 | 1.6411 | 1.2090 | 0.4808 | 1.0607 | 1.3542 |
| Guanine_C13-label-1 | NA | NA | 0.7045 | 1.6450 | 0.9094 | NA | 0.7754 | 1.1360 |
| Guanine_C13-label-2 | 0.4972 | 1.1606 | 0.8200 | 1.1146 | 1.1230 | 0.9332 | 1.2090 | 1.0530 |
| Guanosine_C12 PARENT | 1.1782 | 0.8822 | 0.7758 | 1.3159 | 1.6727 | 0.4341 | 0.8174 | 1.0876 |
| Guanosine_C13-label-1 | 0.9191 | 0.8138 | 0.8714 | 1.1918 | 2.0296 | 0.4377 | 1.1389 | 0.6928 |
| Guanosine_C13-label-2 | 0.9257 | 0.9484 | 0.8036 | 1.2038 | 1.5528 | 0.5822 | 1.0604 | 1.0004 |
| Guanosine_C13-label-4 | 0.8703 | 0.7606 | 0.9825 | 0.7734 | 1.4216 | 0.5767 | 1.1360 | 1.1050 |
| Guanosine_C13-label-8 | 0.5453 | 0.9678 | 0.7433 | 1.0023 | 1.2631 | 0.7081 | 1.5508 | 0.9564 |
| Histidine_C12 PARENT | 1.1379 | 1.3892 | 0.6645 | 1.3818 | 1.1541 | 0.5792 | 1.2956 | 0.6006 |
| Histidine_C13-label-1 | 0.9271 | 1.8133 | 0.7418 | 1.0806 | 1.1616 | 0.5771 | 1.0691 | 0.6650 |
| Homoarginine_C12 PARENT | 0.5734 | 0.5221 | 0.4087 | 0.6794 | 2.2336 | 0.8486 | 0.9488 | 1.3273 |
| Homoarginine_C13-label-1 | NA | NA | NA | NA | 1.0953 | 0.8670 | 1.0129 | 0.9648 |
| Homovanillic acid_C12 PARENT | 0.8424 | 1.2074 | 0.7114 | 1.8456 | 1.1103 | 0.8247 | 0.7809 | 0.8264 |
| Homovanillic acid_C13-label-1 | 1.2438 | 1.0328 | 0.5990 | 1.9250 | 1.1154 | 0.6962 | 0.8429 | 0.8426 |
| Homovanillic acid_C13-label-2 | NA | 1.3006 | NA | 0.8347 | 0.7821 | NA | NA | NA |
| Homovanillic acid_C13-label-7 | NA | NA | 1.0183 | 0.8339 | 1.2972 | 0.6092 | 1.1656 | 0.7113 |
| Hypoxanthine_C12 PARENT | 0.5451 | 1.4584 | 0.5815 | 0.7405 | 1.1073 | 0.6025 | 1.7778 | 1.0909 |
| Hypoxanthine_C13-label-1 | 0.7869 | 1.0347 | 1.0908 | 0.7931 | 1.3898 | 0.6020 | 1.3728 | 0.8761 |
| Hypoxanthine_C13-label-2 | 0.8543 | 1.4088 | 0.9948 | 0.4825 | 1.4759 | 0.5835 | 1.3365 | 0.7214 |
| IMP_C12 PARENT | 1.5752 | 2.3940 | 0.5857 | 0.7316 | 0.9200 | 0.5962 | 0.3443 | 0.8455 |
| IMP_C13-label-1 | 1.1616 | 1.5318 | 0.4529 | 0.8763 | 0.9915 | 1.3194 | 1.0374 | 0.5217 |
| IMP_C13-label-2 | 1.3530 | 1.3772 | 0.4912 | 0.8651 | 0.8980 | 1.3362 | 0.9988 | 0.5973 |
| IMP_C13-label-3 | 1.0563 | 1.5645 | 0.7515 | 0.9840 | 0.8762 | 0.9971 | 1.0267 | 0.6525 |
| Inosine_C12 PARENT | 0.4073 | 0.4386 | 0.1764 | 1.6241 | 1.3936 | 1.5007 | 0.2906 | 1.8870 |
| Inosine_C13-label-1 | 1.0549 | 1.3686 | 0.7444 | 1.0419 | 1.0445 | 0.6853 | 1.3391 | 0.8059 |
| Inosine_C13-label-2 | 1.0105 | 1.6366 | 0.8822 | 0.9834 | 0.9128 | 0.5999 | 1.2743 | 0.7780 |
| Inosine_C13-label-3 | 0.9229 | 1.5404 | 1.0468 | 0.8441 | 0.7811 | 0.5329 | 1.5736 | 0.7868 |
| Inosine_C13-label-4 | 1.3849 | 1.8165 | 0.7365 | 0.2766 | 0.5497 | 0.8911 | 0.9957 | 0.9537 |
| Inosine_C13-label-6 | 2.0473 | 0.9309 | 0.9779 | 1.0221 | 0.7771 | 0.6006 | 0.6715 | 1.4370 |
| Inositol_C12 PARENT | 1.1057 | 1.1463 | 0.7635 | 0.9542 | 1.0470 | 0.8770 | 0.9538 | 1.1469 |
| Inositol_C13-label-1 | 1.2670 | 1.4245 | 0.6099 | 0.6397 | 1.1371 | 0.8294 | 0.9409 | 1.0851 |
| Inositol_C13-label-3 | 1.7631 | 1.6299 | 0.3909 | 0.6512 | 1.2243 | 0.7133 | 0.5050 | 0.9090 |
| Inositol_C13-label-4 | 1.2582 | 1.8133 | NA | 0.5855 | 1.2993 | 0.2943 | 0.4887 | 0.6678 |
| Inositol_C13-label-6 | 1.7559 | 1.8531 | 0.1773 | 0.6243 | 1.3865 | 0.5930 | 0.2640 | 1.0605 |
| Isocitrate_C12 PARENT | 1.6760 | 1.1744 | 0.9091 | 0.8383 | 1.0043 | 0.1165 | 1.8510 | 0.8121 |
| Isocitrate_C13-label-1 | 0.8072 | 0.9560 | 0.8548 | 1.0536 | 0.9475 | 1.2440 | 1.4807 | 0.6294 |
| Isocitrate_C13-label-2 | 1.2788 | 1.0279 | 0.8581 | 0.7093 | 0.7355 | 1.1475 | 1.7762 | 0.5328 |
| Isocitrate_C13-label-3 | 1.0394 | 1.0061 | 0.9092 | 1.0404 | 0.7412 | 1.4724 | 1.4820 | 0.3075 |
| Isoleucine_C12 PARENT | 0.4328 | 1.0467 | 0.6712 | 1.3070 | 1.7090 | 0.5025 | 1.0697 | 1.2208 |
| Isoleucine_C13-label-3 | NA | NA | NA | 1.1780 | NA | NA | 0.8220 | NA |
| Isovalerylglycine_C12 PARENT | 1.0215 | 1.3174 | 0.7328 | 1.0824 | 1.3640 | 0.4785 | 1.0026 | 1.0672 |
| Isovalerylglycine_C13-label-1 | 1.0971 | 1.6017 | 0.6933 | 1.0446 | 0.8322 | 0.6748 | 1.1868 | 0.9394 |
| Isovalerylglycine_C13-label-2 | 0.9653 | 1.2755 | 1.0167 | 0.6699 | 0.8617 | 0.9134 | 1.6124 | 0.6730 |
| Isovalerylglycine_C13-label-3 | 0.7108 | 1.9794 | 0.9797 | 0.5929 | 0.6421 | 0.7656 | 1.4773 | 0.6647 |
| Itaconic acid_C12 PARENT | 0.6601 | 0.8019 | 1.2617 | 0.7978 | 1.1210 | 0.5133 | 0.8759 | 1.9026 |
| Itaconic acid_C13-label-1 | 0.2913 | 0.7019 | 1.5293 | 1.6290 | 0.7173 | 0.4211 | 1.0176 | 1.8306 |
| Itaconic acid_C13-label-2 | 0.4557 | 0.7101 | 1.7803 | 1.3383 | 0.8444 | 0.3339 | 1.2796 | 1.3503 |
| Lactate_C12 PARENT | 0.8061 | 1.5661 | 1.4504 | 1.2460 | 0.6407 | 0.8109 | 0.9780 | 0.6049 |
| Lactate_C13-label-1 | 1.1820 | 0.3008 | 0.6028 | 1.0179 | 2.5259 | 0.4924 | 0.2014 | 1.6357 |
| Lactate_C13-label-2 | 0.8743 | 0.9740 | 1.6447 | 1.0722 | 1.0860 | 1.1428 | 0.0336 | 1.0906 |
| Lactate_C13-label-3 | 1.6494 | 0.2526 | 0.2609 | 0.9378 | 1.2464 | 1.1746 | 0.9419 | 1.5654 |
| Leucine_C12 PARENT | 0.2541 | 0.5610 | 0.4731 | 0.8471 | 0.1612 | 2.6137 | 0.6440 | 1.8322 |
| Leucine_C13-label-1 | 1.0743 | 1.0705 | 0.4628 | 1.5365 | 1.4625 | 0.4692 | 1.0619 | 1.0448 |
| Leucine_C13-label-2 | 0.7444 | 1.0852 | 0.4765 | 1.1657 | 2.0293 | 0.4070 | 0.9235 | 0.9822 |
| Levulinic Acid_C12 PARENT | 0.5694 | 1.2973 | 0.7825 | 1.3155 | 0.7936 | 0.9054 | 1.2555 | 1.0670 |
| Levulinic Acid_C13-label-1 | 0.9814 | 1.2264 | 0.7081 | 1.0958 | 0.8680 | 0.5888 | 1.5686 | 1.0832 |
| Lysine_C12 PARENT | 1.0721 | 1.4477 | 0.7994 | 1.4391 | 0.6872 | 0.8873 | 0.8950 | 0.8907 |
| Lysine_C13-label-1 | 0.8324 | 1.2703 | 0.3375 | 0.8768 | 2.4341 | 0.5849 | 0.8153 | 0.6446 |
| Lysine_C13-label-2 | 0.8011 | 1.1918 | 0.8993 | 0.9849 | 1.9242 | 0.6298 | 0.7034 | 0.6519 |
| Malate_C12 PARENT | 0.6433 | 1.1199 | 1.1770 | 0.7655 | 1.0599 | 1.1116 | 1.2576 | 0.7677 |
| Malate_C13-label-1 | 1.7579 | 0.4595 | 0.4977 | 1.8435 | 1.3880 | 0.2933 | 0.2010 | 1.9317 |
| Malate_C13-label-2 | 0.6207 | 1.8999 | 0.6383 | 1.1366 | 0.5477 | 0.7173 | 1.6496 | 0.8021 |
| Malate_C13-label-3 | 0.6185 | 1.6347 | 0.6125 | 0.4399 | 0.8832 | 0.8702 | 1.8409 | 0.9144 |
| Malate_C13-label-4 | 0.5886 | 1.5635 | 0.9814 | 0.5770 | 1.1334 | 0.7640 | 1.4377 | 0.8095 |
| Malonic acid_C12 PARENT | 1.1880 | 1.4185 | 0.5594 | 1.6597 | 0.9379 | 0.8646 | 0.5532 | 0.9535 |
| Malonic acid_C13-label-1 | 0.9211 | 1.1219 | 0.5168 | 1.6680 | 0.7824 | 0.8425 | 0.9716 | 1.2935 |
| Mandelic acid_C12 PARENT | 1.0578 | 1.1047 | 0.7787 | 0.7428 | 1.2786 | 0.7535 | 1.0056 | 1.2258 |
| Mandelic acid_C13-label-1 | 1.0930 | 1.3712 | 0.8553 | 0.8677 | 1.1173 | 0.6661 | 1.0828 | 0.9743 |
| Mandelic acid_C13-label-2 | 0.7867 | 0.8792 | 0.9001 | 1.2376 | 1.8752 | 0.4087 | 1.2154 | 0.8367 |
| Mandelic acid_C13-label-3 | 0.9226 | 1.5844 | 0.7864 | 0.9172 | 0.9469 | 0.7099 | 1.2881 | 0.8508 |
| Methionine_C12 PARENT | 1.1861 | 1.4284 | 0.5834 | 1.2091 | 1.3482 | 0.4405 | 1.2030 | 0.6837 |
| Methionine_C13-label-1 | 0.7806 | 0.6414 | 0.7347 | 1.5992 | 1.7839 | 0.3172 | 1.1234 | 1.2053 |
| Methionine sulfoxide_C12 PARENT | 1.2308 | 1.5637 | 0.8054 | 1.0865 | 1.0944 | 0.4301 | 1.0057 | 0.9285 |
| Methylglutaric acid_C12 PARENT | 0.5875 | 1.9909 | 0.4485 | 0.9119 | 1.3563 | 0.5161 | 0.9010 | 1.1210 |
| Methylglutaric acid_C13-label-1 | 0.5850 | 1.9426 | 0.4907 | 0.8265 | 1.1792 | 0.5657 | 1.0345 | 1.2018 |
| Methyl-histidine_C12 PARENT | 0.9445 | 1.4078 | 1.1232 | 0.8443 | 0.9152 | 0.6306 | 1.0305 | 1.1183 |
| Methyl-histidine_C13-label-1 | 0.9126 | 1.2258 | 1.3385 | 0.7960 | 0.7796 | 0.7413 | 1.1127 | 1.1231 |
| Methyl-histidine_C13-label-5 | 1.5194 | 1.2333 | 0.5827 | 0.7167 | 1.4228 | 0.5057 | 0.7283 | 1.3307 |
| N-Acetyl-aspartate_C12 PARENT | 1.0221 | 1.1773 | 0.5461 | 1.1172 | 1.4957 | 0.5964 | 1.2146 | 0.8937 |
| N-Acetyl-aspartate_C13-label-1 | 0.6217 | 0.8482 | 0.7554 | 1.0231 | 1.1455 | 0.8412 | 1.0418 | 1.6154 |
| N-Acetyl-aspartate_C13-label-2 | 1.0771 | 0.6260 | 1.1357 | 0.8168 | 1.2079 | 0.4905 | 1.2124 | 1.4724 |
| N-Acetyl-aspartate_C13-label-3 | 0.2987 | 0.5761 | 1.0897 | 0.7577 | 1.0165 | 1.2488 | 1.0838 | 1.5894 |
| N-Acetyl-aspartate_C13-label-4 | 0.2774 | NA | NA | 0.2647 | 0.4974 | 1.5375 | 0.8405 | 2.5826 |
| N-Acetyl-Glucosamine_C12 PARENT | 0.8882 | 1.0826 | 0.8803 | 0.7327 | 1.7459 | 0.4013 | 1.2435 | 1.0204 |
| N-Acetyl-Glucosamine_C13-label-1 | 0.9594 | 1.0574 | 1.4506 | 0.8384 | 1.5100 | 0.4513 | 1.1167 | 0.8466 |
| N-Acetyl-glutamate_C12 PARENT | 0.4573 | 2.1238 | 0.7399 | 0.9668 | 0.4638 | 1.4575 | 0.4697 | 0.9784 |
| N-Acetyl-glutamate_C13-label-1 | 0.8963 | 1.1268 | 0.3595 | 1.0461 | 1.3652 | 0.4367 | 1.8566 | 1.0077 |
| N-Acetyl-glutamate_C13-label-2 | 0.9121 | 0.8614 | 1.1394 | 0.7617 | 0.8634 | 0.8959 | 1.5991 | 0.9942 |
| N-Acetyl-glutamate_C13-label-3 | 0.6156 | 1.0271 | 0.9391 | 0.4176 | 1.6243 | 0.7652 | 1.4928 | 0.9037 |
| N-Acetyl-glutamate_C13-label-4 | 0.6918 | 0.8236 | 1.3240 | 0.6088 | 1.6383 | 0.4743 | 1.0708 | 1.1060 |
| N-acetyl-glutamine_C12 PARENT | 0.8609 | 1.2281 | 0.5190 | 1.1884 | 1.2012 | 1.0546 | 1.0734 | 0.8224 |
| N-Acetyl-L-alanine_C12 PARENT | 0.9634 | 0.5969 | 1.2381 | 1.2450 | 1.2874 | 0.4344 | 1.6434 | 0.8577 |
| N-Acetyl-L-alanine_C13-label-1 | 0.9102 | 1.1397 | 1.1391 | 1.3658 | 1.3731 | 0.4900 | 1.2047 | 0.5783 |
| N-Acetyl-L-alanine_C13-label-3 | 0.7088 | 1.8495 | 0.9118 | 1.1375 | 0.8461 | 1.1704 | 1.0246 | 0.6686 |
| N-Acetyl-L-cysteine_C12 PARENT | 0.9910 | 1.1493 | 0.5377 | 1.3682 | 1.2451 | 0.4261 | 0.3124 | 1.9905 |
| N-Acetyl-Leucine_C12 PARENT | 1.7564 | 1.7602 | 0.2880 | 1.1021 | 1.0541 | 0.6768 | 0.9351 | 0.6077 |
| N-Acetyl-Leucine_C13-label-1 | 1.6235 | 1.6751 | 0.6083 | 1.1894 | 0.8828 | 0.5808 | 1.0038 | 0.6170 |
| N-Acetyl-Leucine_C13-label-2 | 1.3631 | 1.7846 | 0.9597 | 0.6569 | 0.5196 | 0.8390 | 1.4493 | 0.3855 |
| N-Acetyl-Leucine_C13-label-3 | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
| N-acetyl-L-ornithine_C12 PARENT | 0.9101 | 0.9397 | 0.8698 | 0.7955 | 2.1818 | 0.4538 | 0.6172 | 1.1527 |
| N-acetyl-L-ornithine_C13-label-1 | NA | 0.5779 | 1.0042 | NA | 1.6677 | 0.5790 | NA | 0.6243 |
| N-Acetyl-lysine_C12 PARENT | 1.3820 | 1.3976 | 0.8505 | 1.0276 | 1.4961 | 0.6653 | 0.8472 | 0.4553 |
| N-Acetyl-lysine_C13-label-1 | 1.3362 | 1.3585 | 0.8565 | 0.9514 | 1.5078 | 0.7707 | 0.8852 | 0.3259 |
| N-Acetyl-methionine_C12 PARENT | 1.1413 | 0.8682 | 0.8399 | 1.2631 | 1.2405 | 0.9429 | 1.0375 | 0.7646 |
| N-Acetyl-methionine_C13-label-3 | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| N-Acetyl-methionine_C13-label-7 | NA | 1.1912 | NA | NA | NA | 0.8088 | NA | NA |
| N-Acetylneuraminic acid_C12 PARENT | 0.9277 | 0.9569 | 0.8972 | 1.3975 | 1.3811 | 0.5026 | 0.8380 | 1.2251 |
| N-Acetylneuraminic acid_C13-label-1 | 1.0916 | 1.1756 | 0.7409 | 1.0892 | 1.2651 | 0.5149 | 0.9326 | 1.2644 |
| N-Acetylneuraminic acid_C13-label-2 | 1.0474 | 1.0545 | 1.0741 | 0.8012 | 1.1221 | 0.7351 | 1.2789 | 0.9316 |
| N-Acetylneuraminic acid_C13-label-3 | 1.2469 | 0.9442 | 0.5141 | 0.9459 | 1.4646 | 0.8052 | 0.9148 | 1.0684 |
| N-Acetylneuraminic acid_C13-label-4 | 1.2326 | 0.9272 | 0.9006 | 0.8288 | 1.0995 | 1.0719 | 0.9583 | 0.9522 |
| N-Acetyl-phenylalanine_C12 PARENT | 1.3325 | 1.5133 | 0.4958 | 0.8005 | 1.3617 | 1.0917 | 0.7155 | 0.6013 |
| NAD_C12 PARENT | 1.3698 | 1.5318 | 0.9865 | 0.7553 | 1.1393 | 0.5776 | 1.1952 | 0.5666 |
| NAD_C13-label-1 | 1.2560 | 1.4865 | 0.6731 | 1.1058 | 0.9805 | 0.4730 | 1.1109 | 1.0621 |
| NAD_C13-label-12 | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
| NAD_C13-label-13 | 1.7478 | NA | NA | NA | NA | 1.1734 | 0.0788 | NA |
| NAD_C13-label-2 | 1.0733 | 1.2217 | 0.7604 | 1.1521 | 1.1850 | 0.6170 | 1.1504 | 0.9464 |
| NAD_C13-label-3 | 1.0801 | 1.4187 | 0.4988 | 0.9576 | 1.1428 | 0.7643 | 1.3784 | 0.7862 |
| NAD_C13-label-4 | 1.1706 | 1.4167 | 0.8300 | 0.9227 | 0.9891 | 0.7353 | 0.7752 | 1.0308 |
| NAD_C13-label-5 | 1.1846 | 1.6054 | 0.7520 | 0.5694 | 0.9293 | 0.6884 | 1.0743 | 1.0116 |
| NADH_C12 PARENT | 1.4630 | 0.8465 | 0.7759 | 0.9298 | 1.4527 | 0.4155 | 1.2153 | 1.0123 |
| NADH_C13-label-1 | 1.3839 | 0.6800 | 0.9430 | 0.9246 | 1.5813 | 0.4794 | 1.4518 | 0.6924 |
| NADH_C13-label-14 | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
| NADH_C13-label-2 | 1.3949 | 0.7502 | 0.8766 | 0.9881 | 1.4885 | 0.3607 | 1.2579 | 0.9942 |
| NADH_C13-label-3 | 1.1018 | 0.8661 | 0.8688 | 0.9326 | 1.5058 | 1.2272 | 0.8903 | 0.8033 |
| NADH_C13-label-4 | 0.8773 | NA | NA | 1.1730 | NA | 1.2178 | 0.8547 | NA |
| NADPH_C12 PARENT | 1.5621 | 0.7133 | 0.5110 | 1.2585 | 1.2912 | 0.5712 | 1.3620 | 0.8771 |
| N-carbamoyl-aspartate_C12 PARENT | 0.5644 | 0.6977 | 1.2698 | 0.7915 | 0.9091 | 1.1815 | 1.8582 | 0.7049 |
| N-carbamoyl-aspartate_C13-label-1 | 0.4050 | 0.6529 | 1.5347 | 0.4488 | 0.7064 | 1.3736 | 2.2293 | 0.5652 |
| N-carbamoyl-aspartate_C13-label-2 | 1.0501 | 1.5095 | 0.9649 | 1.1868 | 0.8746 | 1.0787 | 0.0989 | 0.5177 |
| N-carbamoyl-aspartate_C13-label-3 | NA | 0.5225 | 0.5388 | 0.3516 | NA | 1.8243 | 1.0996 | NA |
| Nicotinamide_C12 PARENT | 1.0324 | 1.5804 | 0.6861 | 1.3280 | 1.0568 | 0.5819 | 1.1981 | 0.6825 |
| Nicotinamide_C13-label-1 | 0.7198 | 1.4047 | 0.5453 | 1.6097 | 1.3425 | 0.5709 | 0.9527 | 0.7399 |
| Nicotinamide_C13-label-2 | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
| Nicotinamide_C13-label-5 | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
| Nicotinic acid_C12 PARENT | 1.0541 | 1.0100 | 0.7521 | 0.9196 | 1.2182 | 0.7759 | 1.0765 | 1.1936 |
| Nicotinic acid_C13-label-1 | 1.2293 | 0.7210 | 0.3225 | 1.0149 | 1.2874 | 0.8533 | 1.4507 | 1.1792 |
| O-Phosphorylethanolamine_C12 PARENT | 1.5065 | 0.7484 | 0.9367 | 1.2708 | 1.0709 | 0.6480 | 1.6123 | 0.5572 |
| Ophthalmate_C12 PARENT | 1.1958 | 0.7923 | 0.8548 | 1.5280 | 1.4272 | 0.5141 | 0.8224 | 1.0954 |
| Ophthalmate_C13-label-1 | 0.3924 | 0.9753 | 0.7625 | 0.5142 | 0.8529 | 1.5143 | 2.4013 | 0.4408 |
| Ophthalmate_C13-label-2 | 0.2518 | 1.1852 | 1.6688 | 0.4847 | 0.6824 | 0.6309 | 2.6728 | 0.4497 |
| Ophthalmate_C13-label-3 | 0.2570 | 0.7958 | 1.1160 | 0.2725 | 0.5493 | 1.8273 | 2.5829 | 0.4218 |
| Ophthalmate_C13-label-4 | 0.2624 | 0.8905 | 1.1962 | 0.3244 | 0.3329 | 1.8917 | 1.7826 | 0.3753 |
| Ophthalmate_C13-label-9 | 0.8873 | 1.3996 | 0.8628 | 0.9826 | 0.8929 | 0.6953 | 1.1369 | 1.1490 |
| Ornithine_C12 PARENT | 1.0417 | 1.2193 | 0.6271 | 1.1176 | 1.4653 | 0.3879 | 0.8498 | 1.3496 |
| Ornithine_C13-label-1 | 0.8035 | 0.9419 | 0.4460 | 0.7029 | 2.7879 | 0.2652 | 0.6724 | 1.0340 |
| Ornithine_C13-label-4 | 1.0000 | NA | NA | NA | NA | NA | NA | NA |
| Orotate_C12 PARENT | 0.5892 | 1.1701 | 1.6054 | 0.6676 | 0.8582 | 0.9105 | 1.6542 | 0.6117 |
| Orotate_C13-label-1 | 0.3882 | 1.3026 | 1.3438 | 0.4074 | 0.5374 | 0.9107 | 2.4167 | 0.6623 |
| Orotate_C13-label-2 | 0.4074 | 0.9146 | 1.8942 | 0.4440 | 0.4425 | 0.5951 | 2.3472 | 0.4669 |
| Orotate_C13-label-3 | 1.0682 | 0.6796 | 1.8494 | 0.5836 | 0.3410 | 0.9964 | 1.7289 | 0.4177 |
| O-Succinyl-L-homoserine_C12 PARENT | 0.5271 | 0.8082 | 1.7540 | 1.0228 | 0.7617 | 0.8175 | 1.7350 | 0.6838 |
| O-Succinyl-L-homoserine_C13-label-1 | 0.3559 | 0.6849 | 1.8967 | 0.9761 | 0.6293 | 0.8704 | 1.8758 | 0.6927 |
| O-Succinyl-L-homoserine_C13-label-2 | 0.3545 | 1.0303 | 2.2391 | 0.5978 | 0.3110 | 0.7766 | 2.1909 | 0.3810 |
| O-Succinyl-L-homoserine_C13-label-3 | 0.0306 | 1.5846 | 2.4652 | 0.3620 | 0.4967 | 0.6943 | 1.6289 | 0.7657 |
| Phenylalanine_C12 PARENT | 1.1841 | 1.1269 | 0.5896 | 1.5637 | 2.0330 | 0.5861 | 0.7916 | 0.3094 |
| Phenylalanine_C13-label-1 | 0.8895 | 1.1649 | 0.6642 | 1.0099 | 1.7704 | 0.6280 | 0.9157 | 0.9218 |
| Phenylalanine_C13-label-2 | 0.6893 | 1.2032 | 0.7964 | 1.3378 | 1.6140 | 0.4582 | 0.7188 | 1.0918 |
| Phosphocholine_+Hac_C12 PARENT | 1.5482 | 1.4314 | 0.3644 | 1.4088 | 1.2605 | 0.7586 | 0.6470 | 0.7478 |
| Phosphocholine_+Hac_C13-label-1 | 1.2920 | 1.3124 | 0.8330 | 1.6182 | 1.1642 | 0.6160 | 0.5310 | 0.8024 |
| Phosphoenolpyruvate_C12 PARENT | 1.0903 | 0.6477 | 0.6495 | 1.2707 | 0.7353 | 1.2081 | 2.1243 | 0.4581 |
| Phosphoenolpyruvate_C13-label-1 | 0.7597 | 0.5899 | 0.6406 | 0.3792 | 0.5365 | 1.9004 | 1.8594 | 0.7298 |
| Phosphoenolpyruvate_C13-label-3 | 0.3103 | 1.0722 | 0.7414 | 0.5275 | 1.1270 | 1.7459 | 1.1457 | 0.6960 |
| Pipecolate_C12 PARENT | 0.9030 | 1.2810 | 0.7438 | 0.8991 | 1.3372 | 0.6722 | 1.0797 | 1.0490 |
| Proline_C12 PARENT | 0.9855 | 1.1705 | 1.0378 | 1.4306 | 0.3937 | 0.8078 | 1.5127 | 0.8864 |
| Proline_C13-label-1 | 0.7633 | 0.9630 | 0.7666 | 1.1396 | 1.5268 | 0.5321 | 1.2418 | 1.1072 |
| Proline_C13-label-2 | 0.4456 | 1.0865 | 1.8858 | 0.5766 | 0.5706 | 1.1216 | 1.6636 | 0.5350 |
| Proline_C13-label-3 | NA | 1.1115 | 0.7867 | NA | NA | 0.7808 | 1.2852 | 0.7805 |
| Pterine_C12 PARENT | 0.5371 | 0.4322 | 0.4833 | 0.8947 | 1.4712 | 1.3149 | 1.4409 | 1.2076 |
| Pterine_C13-label-1 | 1.0938 | 1.3113 | 1.0746 | 1.3642 | 0.9831 | 0.7991 | 0.7855 | 0.7100 |
| Pterine_C13-label-2 | 0.9023 | 0.9414 | 1.2976 | 0.9689 | 0.9815 | 1.8639 | 0.9262 | 0.4924 |
| Pterine_C13-label-3 | 0.9639 | NA | NA | NA | NA | 1.0361 | NA | NA |
| Pyridoxal_C12 PARENT | 0.7968 | 1.8966 | 0.8654 | 0.3525 | 0.8970 | 0.5733 | 1.6152 | 0.8898 |
| Pyridoxal_C13-label-1 | 0.5698 | 1.5574 | 1.1259 | 0.9557 | 0.8658 | 0.5583 | 1.3074 | 1.0491 |
| Pyrrole-2-carboxylic acid_C12 PARENT | 0.5371 | 1.2428 | 0.8570 | 1.3380 | 1.1070 | 0.5968 | 1.3084 | 1.0585 |
| Pyrrole-2-carboxylic acid_C13-label-1 | 0.7849 | 0.9123 | 0.8619 | 1.3101 | 1.3820 | 0.5994 | 1.2750 | 0.9586 |
| Pyruvate_C12 PARENT | 0.5993 | 1.6350 | 0.8749 | 0.6589 | 0.9624 | 0.8649 | 1.5172 | 0.7508 |
| Pyruvate_C13-label-1 | 0.8811 | 1.4343 | 0.5838 | 2.1757 | 0.8262 | 0.7200 | 0.8395 | 0.7990 |
| Pyruvate_C13-label-2 | 0.8282 | 1.4636 | 0.8214 | 1.5806 | 0.5577 | 0.6745 | 1.6067 | 0.4785 |
| Pyruvate_C13-label-3 | 1.2315 | 0.9159 | 0.7095 | 2.3098 | 0.9263 | 0.4234 | 0.9478 | 0.9680 |
| Quinic acid_C12 PARENT | 0.7674 | 0.8735 | 2.6704 | 0.5830 | 1.0474 | 0.5325 | 0.9921 | 0.6523 |
| Ribose 5-phosphate_C12 PARENT | 0.7131 | 1.7233 | 0.6228 | 0.8862 | 1.3285 | 1.0290 | 0.9375 | 0.5784 |
| Ribose 5-phosphate_C13-label-1 | 1.1502 | 1.3462 | 0.8277 | 1.2210 | 0.8212 | 0.8736 | 1.0956 | 0.7350 |
| Ribose 5-phosphate_C13-label-2 | 0.6870 | 1.5040 | 0.7312 | 0.5372 | 0.6135 | 1.0707 | 1.5652 | 0.9735 |
| Ribose 5-phosphate_C13-label-3 | 0.7559 | 0.8430 | 1.2478 | 0.9195 | 1.0884 | 0.7723 | 0.9359 | 1.4089 |
| S-Adenosyl-homocysteine_C12 PARENT | 1.4972 | 1.0926 | 0.7336 | 1.0692 | 1.1728 | 0.4152 | 1.1463 | 1.1012 |
| S-Adenosyl-homocysteine_C13-label-1 | 1.3138 | 0.8374 | 0.7809 | 1.5248 | 1.5252 | 0.5856 | 0.9335 | 0.6976 |
| S-Adenosyl-homocysteine_C13-label-2 | 0.8688 | 0.9879 | 0.9075 | 1.4179 | 1.2740 | 0.4954 | 1.0986 | 1.0194 |
| S-Adenosyl-homocysteine_C13-label-3 | 1.2052 | 1.1772 | 0.9988 | 1.1754 | 0.7788 | 0.9038 | 1.1935 | 0.7439 |
| Serine_C12 PARENT | 0.8777 | 1.5124 | 0.5528 | 0.9453 | 2.1213 | 0.5302 | 0.6836 | 0.6841 |
| Serine_C13-label-1 | 0.9446 | 0.8702 | 0.6673 | 0.5514 | 2.1115 | 0.6735 | 1.3398 | 0.7452 |
| Serine_C13-label-2 | 0.5671 | 1.9593 | 0.5647 | 0.6110 | 1.4554 | 0.7507 | 1.1807 | 0.6757 |
| Serine_C13-label-3 | 1.1118 | 1.1476 | 0.7049 | 1.2776 | 0.8830 | 0.9962 | 0.8787 | 0.6748 |
| Suberic acid_C12 PARENT | 0.8058 | 1.1767 | 0.6718 | 1.1582 | 1.2037 | 0.8021 | 0.9138 | 1.2267 |
| Suberic acid_C13-label-1 | 0.7121 | 1.4686 | 0.6140 | 0.8905 | 1.0901 | 0.7883 | 0.8882 | 1.3938 |
| Succinic acid_C12 PARENT | 0.6986 | 0.9907 | 1.6761 | 0.9185 | 0.9173 | 0.9050 | 1.1257 | 0.7869 |
| Succinic acid_C13-label-1 | 2.2048 | 0.6354 | 0.4375 | 1.2361 | 1.0772 | 0.6940 | 0.5429 | 1.4819 |
| Succinic acid_C13-label-2 | 0.4558 | 1.6307 | 0.8983 | 1.4905 | 0.7017 | 0.8291 | 0.1891 | 1.6835 |
| Succinic acid_C13-label-3 | 0.5265 | 1.4455 | 1.3528 | 0.6096 | 0.9227 | 0.7086 | 1.3841 | 0.9503 |
| Succinic acid_C13-label-4 | 0.4123 | 1.3400 | 1.3981 | 0.6290 | 0.7159 | 1.4092 | 1.6773 | 0.3920 |
| Taurine_C12 PARENT | 0.9298 | 0.9282 | 0.7069 | 1.1217 | 1.0862 | 1.0485 | 1.0752 | 1.0802 |
| Taurine_C13-label-1 | 0.8633 | 0.5240 | 0.5594 | 1.0395 | 1.1511 | 1.1599 | 1.2676 | 1.3598 |
| Thiamine_C12 PARENT | 1.0922 | 1.3361 | 0.7301 | 0.9893 | 1.2176 | 0.7955 | 0.9555 | 0.8620 |
| Thiamine_C13-label-1 | 1.0642 | 1.2541 | 0.7004 | 1.6993 | 1.1915 | 0.8292 | 0.8910 | 0.5117 |
| Thiamine_C13-label-2 | 1.1248 | 0.9515 | 0.7053 | 1.2214 | 1.1237 | 1.1311 | 0.9157 | 0.7881 |
| Thiamine_C13-label-8 | NA | NA | 1.0000 | NA | NA | NA | NA | NA |
| Thiamine pyrophosphate_C12 PARENT | 1.2405 | 1.5713 | 0.8506 | 0.9645 | 1.1306 | 0.5549 | 0.8545 | 0.9132 |
| Thiamine pyrophosphate_C13-label-1 | 1.3950 | 1.5250 | 0.7733 | 0.7911 | 0.9591 | 0.7646 | 0.7699 | 0.9776 |
| Threonine_C12 PARENT | 1.0232 | 1.5878 | 0.5650 | 1.2086 | 1.2427 | 0.5275 | 1.0887 | 0.8408 |
| Threonine_C13-label-1 | 0.8942 | 1.2309 | 0.5445 | 0.9331 | 1.8018 | 0.4399 | 0.9837 | 1.0551 |
| Thymidine_C12 PARENT | 0.9922 | 0.9114 | 0.6162 | 1.8449 | 1.6648 | 0.5213 | 0.5583 | 1.0805 |
| Thymidine_C13-label-1 | 1.0212 | 0.5833 | 0.8698 | 1.6795 | 1.5068 | 0.5187 | 0.5511 | 1.2401 |
| Thymidine_C13-label-4 | 1.7864 | 0.7775 | 0.6185 | 0.8328 | 1.6303 | 0.5713 | 1.2462 | 0.6566 |
| trans-4-Hydroxy-L-proline_C12 PARENT | 0.8860 | 1.1209 | 0.9325 | 0.7706 | 1.2787 | 0.5190 | 1.1572 | 1.3184 |
| trans-4-Hydroxy-L-proline_C13-label-1 | 1.1632 | 1.1627 | 0.4729 | 1.1594 | 1.3519 | 0.4359 | 1.1747 | 1.2016 |
| Tryptophan_C12 PARENT | 0.8677 | 1.0694 | 0.6068 | 1.4297 | 1.7281 | 0.5247 | 0.9303 | 0.9301 |
| Tryptophan_C13-label-1 | 1.1868 | 1.4620 | 0.6531 | 0.7572 | 1.4637 | 0.5595 | 1.0658 | 0.8589 |
| Tryptophan_C13-label-2 | 1.1713 | 0.9650 | 0.9538 | 1.2918 | 0.9172 | 0.6544 | 0.8100 | 0.9994 |
| Tyrosine_C12 PARENT | 1.2125 | 0.3904 | 0.7089 | 1.3450 | 1.9512 | 0.5792 | 0.8604 | 1.1102 |
| Tyrosine_C13-label-1 | 0.9509 | 1.1008 | 0.6627 | 1.2993 | 1.7746 | 0.4335 | 0.9823 | 0.8977 |
| Tyrosine_C13-label-2 | 0.9917 | 1.4731 | 0.7802 | 1.4441 | 1.2700 | 0.4197 | 0.4959 | 1.1150 |
| UDP-Glucose_C12 PARENT | 1.2898 | 0.8962 | 0.9059 | 0.8637 | 2.3010 | 0.5298 | 0.8829 | 0.4115 |
| UDP-Glucose_C13-label-1 | 0.9090 | 0.6049 | 0.7725 | 1.5730 | 1.8009 | 0.4412 | 1.0772 | 0.9374 |
| UDP-Glucose_C13-label-2 | 0.9121 | 0.7511 | 1.0976 | 1.3339 | 1.2591 | 0.4444 | 1.4288 | 0.9325 |
| UDP-Glucose_C13-label-3 | 0.8919 | 0.6898 | 0.9257 | 0.9791 | 1.9110 | 0.3632 | 1.3902 | 0.8468 |
| UDP-Glucose_C13-label-4 | 1.0142 | 0.6725 | 0.9142 | 0.9646 | 1.3966 | 0.5044 | 1.6451 | 0.7982 |
| UDP-Glucose_C13-label-5 | 0.9146 | 0.6309 | 1.1507 | 1.1294 | 1.4700 | 0.1594 | 1.3602 | 1.0098 |
| UDP-Glucose_C13-label-6 | 1.4805 | 0.5576 | 0.6221 | 1.4805 | 2.2578 | 0.3612 | 0.6557 | 0.4655 |
| UDP-Glucose_C13-label-7 | 1.1985 | 0.5231 | 0.7351 | 1.3211 | 1.5368 | 0.4265 | 0.6983 | 0.8512 |
| UDP-Glucose_C13-label-8 | 1.3372 | NA | 0.5649 | 0.6970 | 1.2955 | NA | 0.0664 | 1.8981 |
| UDP-N-acetylglucosamine_C12 PARENT | 1.6674 | 0.9555 | 0.2551 | 1.4248 | 1.1063 | 0.3649 | 1.7271 | 0.8991 |
| UDP-N-acetylglucosamine_C13-label-1 | 1.3514 | 0.5679 | 0.6506 | 1.2313 | 1.8388 | 0.6052 | 1.5320 | 0.4716 |
| UDP-N-acetylglucosamine_C13-label-12 | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
| UDP-N-acetylglucosamine_C13-label-15 | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
| UDP-N-acetylglucosamine_C13-label-2 | 1.6303 | 0.7390 | 0.6471 | 0.9006 | 1.2336 | 0.6095 | 1.6457 | 0.7878 |
| UDP-N-acetylglucosamine_C13-label-3 | 1.8426 | 0.6992 | 0.5089 | 0.9743 | 1.1521 | 0.7086 | 1.4888 | 0.8586 |
| UDP-N-acetylglucosamine_C13-label-4 | 1.5776 | 0.9099 | 0.5576 | 0.9410 | 1.0621 | 0.7201 | 1.6421 | 0.7031 |
| UDP-N-acetylglucosamine_C13-label-5 | 1.3282 | 0.8128 | 0.7530 | 1.1202 | 0.9406 | 0.6185 | 1.7829 | 0.7778 |
| UDP-N-acetylglucosamine_C13-label-6 | 3.0665 | 0.7962 | 0.4551 | 1.6568 | 0.8040 | 0.4205 | 0.7250 | 0.5811 |
| UDP-N-acetylglucosamine_C13-label-7 | 2.7500 | 0.5965 | 0.7908 | 1.2840 | 1.0192 | 0.7615 | 0.4420 | 0.6500 |
| UDP-N-acetylglucosamine_C13-label-8 | 1.0568 | 1.3056 | NA | 1.2621 | 1.0084 | 0.8940 | 0.0757 | 0.7606 |
| UDP-N-acetylglucosamine_C13-label-9 | NA | NA | NA | 1.0000 | NA | NA | NA | NA |
| UMP_C12 PARENT | 0.6881 | 0.5680 | 2.5798 | 0.4223 | 0.3757 | 1.2190 | 1.0385 | 1.0543 |
| UMP_C13-label-1 | 1.0046 | 1.2717 | 0.4985 | 1.2463 | 1.3314 | 0.5941 | 1.0918 | 1.0327 |
| UMP_C13-label-2 | 1.0440 | 1.0299 | 0.7619 | 0.9973 | 1.3995 | 0.6323 | 1.2839 | 0.8695 |
| UMP_C13-label-3 | 0.7013 | 1.2461 | 1.0197 | 0.6426 | 1.0109 | 0.8454 | 1.6660 | 0.7814 |
| UMP_C13-label-4 | 0.7569 | 1.0977 | 1.1017 | 0.6379 | 0.6384 | 0.5567 | 2.4744 | 0.6728 |
| UMP_C13-label-5 | 0.6333 | 1.2110 | 1.4830 | 0.5974 | 0.8401 | 1.1675 | 1.5493 | 0.5567 |
| Uracil_C12 PARENT | 0.6616 | 0.8983 | 1.3662 | 0.8366 | 1.1852 | 0.3656 | 1.3384 | 1.3960 |
| Uracil_C13-label-1 | 0.7626 | 0.8805 | 1.5887 | 0.6673 | 1.2197 | 0.4368 | 1.3142 | 1.1768 |
| Uracil_C13-label-2 | 0.6985 | 0.6229 | 2.5983 | 0.2223 | 0.6842 | 0.2575 | 2.0202 | 0.8795 |
| Uracil_C13-label-4 | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
| Uric acid_2nd Peak_C12 PARENT | 1.4416 | 1.6549 | 0.8663 | 0.5743 | 0.5733 | 0.8633 | 0.7432 | 1.2515 |
| Uric acid_2nd Peak_C13-label-1 | 1.1163 | 0.9750 | 0.7089 | 1.2027 | 1.1972 | 0.7788 | 1.1666 | 0.9594 |
| Uric acid_2nd Peak_C13-label-2 | 0.8712 | 1.0646 | 1.2973 | 1.0211 | 1.2124 | 0.6679 | 1.3717 | 0.6102 |
| Uridine_C12 PARENT | 0.3622 | 1.3689 | 1.2025 | 0.6134 | 0.3434 | 1.8229 | 0.2537 | 1.5450 |
| Uridine_C13-label-1 | 0.9408 | 1.1740 | 0.6027 | 1.2716 | 1.1015 | 0.5934 | 1.3139 | 1.1090 |
| Uridine_C13-label-2 | 0.4311 | 1.2523 | 1.4999 | 0.3611 | 0.3198 | 0.7850 | 2.7979 | 0.5669 |
| Uridine_C13-label-3 | 0.3659 | 1.0210 | 1.4004 | 0.6510 | 0.6886 | 0.9234 | 2.1450 | 0.8018 |
| Uridine_C13-label-4 | 0.7356 | 0.9303 | 1.1790 | 0.6021 | 0.5421 | 0.8915 | 2.4894 | 0.6115 |
| UTP_C12 PARENT | 2.0065 | 1.2229 | 0.3888 | 1.2239 | 0.6921 | 1.0472 | 0.8356 | 0.8171 |
| Valine_C12 PARENT | 1.4739 | 1.4960 | 1.5549 | 0.2674 | 0.1966 | 0.7872 | 1.1627 | 1.1204 |
| Valine_C13-label-1 | 0.7609 | 1.2305 | 0.6918 | 1.2046 | 2.0605 | 0.2517 | 0.6871 | 1.1212 |
| Valine_C13-label-2 | 0.9751 | 0.7205 | 0.8687 | 1.2948 | 1.5603 | 0.3212 | 0.7493 | 1.2214 |
| Xanthine_C12 PARENT | 3.0115 | 0.8073 | 0.4820 | 0.9460 | 0.6118 | 1.0653 | 0.6128 | 0.8099 |
| Xanthine_C13-label-1 | 0.6900 | 1.6201 | 0.8598 | 0.9239 | 1.4334 | 0.4468 | 1.1151 | 0.8760 |
| Xanthine_C13-label-2 | 0.4033 | 1.6544 | 0.8952 | 0.7586 | 1.1989 | 0.6119 | 1.3524 | 0.9062 |
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 |