Data for (Study ST003890)
(Analysis AN006390)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 |
|---|---|---|---|---|---|---|---|---|
| 1-Methyladenosine_C12 PARENT | 0.2732 | 0.2881 | 1.2626 | 0.7316 | 0.6637 | 0.3215 | 1.4920 | 1.9754 |
| 1-Methyladenosine_C13-label-1 | NA | NA | NA | NA | NA | NA | NA | NA |
| 1-Methyladenosine_C13-label-2 | 0.8969 | 1.9569 | 1.9316 | 0.4180 | 0.7105 | 1.7499 | 0.1197 | 0.0576 |
| 1-Methyladenosine_C13-label-3 | 0.9671 | 1.7422 | 1.4908 | 0.6654 | 0.4797 | 1.8391 | 0.3490 | 0.2190 |
| 1-Methyladenosine_C13-label-6 | 0.8273 | 1.2756 | 1.6757 | 0.4469 | 0.5108 | 1.5672 | 0.3317 | 0.4443 |
| 2 4-Dihydroxyacetophenone_C12 PARENT | 0.7638 | 1.1199 | 0.9308 | 1.0495 | 1.0028 | 0.7901 | 1.0622 | 1.2565 |
| 2-Aminoadipic acid_C12 PARENT | 0.8229 | 1.0785 | 1.3041 | 0.9903 | 0.9348 | 0.7251 | 1.6514 | 0.6153 |
| 2-Aminoadipic acid_C13-label-1 | 0.4983 | 0.4732 | 0.5996 | 0.5936 | 2.3737 | 0.5151 | 0.9526 | 1.7397 |
| 2-Aminoadipic acid_C13-label-2 | 0.5066 | 0.6634 | 0.4737 | 0.5100 | 2.8625 | 0.6664 | 0.7778 | 1.0813 |
| 2-Aminoisobutyrate_C12 PARENT | 1.1088 | 1.0905 | 0.9525 | 1.2495 | 0.4001 | 1.0225 | 0.8149 | 1.4272 |
| 2-Aminoisobutyrate_C13-label-1 | 1.1271 | 1.0805 | 0.4350 | 1.2061 | 1.2181 | 0.9018 | 0.8073 | 1.2252 |
| 2-Deoxy-D-glucose_C12 PARENT | 0.9197 | 1.0455 | 0.7505 | 0.8847 | 0.8841 | 0.7981 | 1.0339 | 1.5900 |
| 2-Hydroxypyridine_C12 PARENT | 0.7569 | 1.3049 | 0.7369 | 0.9371 | 1.0174 | 0.9789 | 1.1305 | 1.0340 |
| 2-methylcitrate_C12 PARENT | 0.5755 | 0.9661 | 0.7667 | 0.9585 | 1.5809 | 0.9664 | 0.8228 | 1.1428 |
| 3-Aminoisobutyrate_C12 PARENT | 1.2438 | 0.8437 | 0.6650 | 0.6507 | 0.7357 | 1.3268 | 1.3093 | 1.1444 |
| 3-Methyl-2-oxovalerate_C12 PARENT | 1.1589 | 1.1348 | 0.7060 | 0.9772 | 0.8796 | 0.8991 | 1.0279 | 1.2318 |
| 3-Methyl-2-oxovalerate_C13-label-3 | 0.5804 | 0.5440 | 1.0216 | 1.2631 | 0.9643 | 1.0271 | 1.3101 | 1.2882 |
| 3-Methyladenine_C12 PARENT | 0.8029 | 0.8091 | 0.9063 | 0.8086 | 0.5262 | 1.3617 | 1.1779 | 1.4567 |
| 3-Methyladenine_C13-label-2 | 0.4636 | 0.6754 | 1.2623 | 0.7398 | 0.4946 | 2.1326 | 0.2142 | NA |
| 3-Methylhistamine_C12 PARENT | 1.0181 | 0.7038 | 0.6511 | 0.8468 | 1.1254 | 0.6365 | 0.7216 | 2.2204 |
| 4-Aminobutyrate (GABA)_C12 PARENT | 0.8236 | 1.0625 | 1.3638 | 0.8536 | 0.8590 | 1.3228 | 0.8180 | 0.7843 |
| 4-Aminobutyrate (GABA)_C13-label-1 | 0.7493 | 1.5087 | 1.1000 | 0.8201 | 0.7121 | 1.2346 | 0.9048 | 0.8145 |
| 4-Aminobutyrate (GABA)_C13-label-2 | 0.6335 | 1.8154 | 1.0632 | 0.8010 | 0.4660 | 1.6564 | 1.0588 | 0.2678 |
| 4-Guanidinobutyrate_C12 PARENT | 0.3480 | 0.4302 | 1.3859 | 0.8696 | 0.3589 | 0.7481 | 2.3084 | 1.6054 |
| 4-Guanidinobutyrate_C13-label-1 | 0.1657 | 0.2155 | 1.0681 | 0.5349 | 0.9796 | 0.8862 | 1.6757 | 2.2254 |
| 5-Deoxy-5-(methylthio)adenosine_C12 PARENT | 0.1673 | 0.4570 | 0.8913 | 0.7409 | 0.8957 | 0.8441 | 1.4169 | 2.3411 |
| 5-Deoxy-5-(methylthio)adenosine_C13-label-1 | NA | 0.6071 | 0.5911 | 0.6613 | 0.3217 | 0.5353 | 1.4973 | 2.4548 |
| 5-Deoxy-5-(methylthio)adenosine_C13-label-5 | 0.2181 | 0.3615 | 1.3657 | 1.7114 | 1.0722 | 0.9868 | 1.5178 | 1.0708 |
| 5-Deoxy-5-(methylthio)adenosine_C13-label-7 | 0.6636 | 1.2913 | 1.3074 | 0.9890 | 1.0189 | 0.9421 | 0.6655 | 1.0740 |
| Acetyl-arginine_C12 PARENT | 0.9238 | 0.8014 | 0.6569 | 1.3280 | 2.4047 | 0.6382 | 0.4725 | 0.7737 |
| Acetyl-arginine_C13-label-1 | 1.1815 | 0.7373 | 0.4554 | 0.9405 | 3.6432 | 0.2969 | 0.4280 | 0.4518 |
| Acetyl-arginine_C13-label-3 | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| Acetyl CoA_C12 PARENT | 1.2821 | 1.2937 | 0.4517 | 1.8598 | 0.5804 | 1.3743 | 0.7067 | 0.6039 |
| Acetyl CoA_C13-label-1 | 2.0928 | 1.3507 | 0.4192 | 1.6537 | 0.4618 | 1.1662 | 0.7023 | 0.4993 |
| Acetyl CoA_C13-label-10 | NA | NA | NA | 1.9817 | NA | NA | NA | 0.0183 |
| Acetyl CoA_C13-label-11 | NA | 1.0945 | 0.9055 | NA | NA | NA | NA | NA |
| Acetyl CoA_C13-label-12 | NA | NA | 1.0478 | NA | 0.9522 | NA | NA | NA |
| Acetyl CoA_C13-label-15 | NA | NA | NA | NA | NA | NA | NA | NA |
| Acetyl CoA_C13-label-2 | 1.9966 | 1.0452 | 0.4680 | 1.7669 | 0.2838 | 0.7110 | 0.9068 | 0.5127 |
| Acetyl CoA_C13-label-20 | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
| Acetyl CoA_C13-label-3 | 0.1173 | NA | NA | NA | 1.0805 | NA | NA | 1.8022 |
| Aconitate_C12 PARENT | 1.0717 | 0.7104 | 0.8398 | 1.3033 | 0.9878 | 0.9400 | 0.9871 | 1.2509 |
| Aconitate_C13-label-1 | 0.1015 | 1.2292 | 0.9555 | 0.9738 | 1.1081 | 1.1054 | 0.9993 | 1.3438 |
| Adenine_C12 PARENT | 0.5310 | 0.8147 | 0.6892 | 1.5550 | 1.2497 | 0.6549 | 1.0312 | 1.5083 |
| Adenine_C13-label-1 | 0.5601 | 0.8705 | 1.3070 | 1.0917 | 0.8529 | 0.6224 | 1.3283 | 1.4125 |
| Adenine_C13-label-2 | 0.4386 | 0.5160 | 1.2857 | 1.3505 | 0.8180 | 0.5847 | 1.5153 | 1.4651 |
| Adenosine_C12 PARENT | 0.9385 | 0.8990 | 0.7061 | 1.1065 | 0.7269 | 0.8573 | 0.9036 | 1.8396 |
| Adenosine_C13-label-1 | 0.7419 | 1.0447 | 0.7237 | 1.3316 | 1.1408 | 0.6695 | 0.9640 | 1.4074 |
| Adenosine_C13-label-2 | 0.7682 | 0.9312 | 0.7830 | 1.0479 | 1.0821 | 0.6478 | 1.0552 | 1.6592 |
| Adenosine_C13-label-3 | 0.8070 | 1.1034 | 0.7366 | 1.4637 | 0.6252 | 0.4892 | 1.2031 | 1.7133 |
| Adenosine_C13-label-4 | 0.7751 | 1.3065 | 0.8251 | 0.6741 | 0.7896 | 1.5201 | 0.5589 | 1.1025 |
| Adenosine_C13-label-5 | NA | 1.3538 | 0.1029 | 1.1006 | 1.0038 | 1.0792 | NA | NA |
| ADP_C12 PARENT | 1.0792 | 1.2801 | 0.5812 | 1.1968 | 0.7831 | 1.1305 | 1.2627 | 0.7244 |
| ADP_C13-label-1 | 1.4261 | 1.3193 | 0.5092 | 1.0686 | 0.7228 | 1.2234 | 1.1129 | 0.6731 |
| ADP_C13-label-2 | 1.2776 | 1.3522 | 0.4757 | 1.0891 | 0.6572 | 1.2852 | 1.1752 | 0.6271 |
| ADP_C13-label-3 | 0.9790 | 1.1747 | 0.5703 | 0.8217 | 0.6036 | 1.3426 | 1.0499 | 0.9825 |
| ADP_C13-label-4 | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| ADP_C13-label-6 | NA | NA | NA | NA | NA | NA | 1.0000 | NA |
| ADP-ribose_C12 PARENT | 0.9959 | 0.9695 | 0.5603 | 1.3120 | 1.1508 | 1.0974 | 1.0165 | 0.9111 |
| ADP-ribose_C13-label-1 | 0.9243 | 1.2695 | 0.3453 | 0.9442 | 1.0180 | 1.0088 | 1.6768 | 0.7774 |
| ADP-ribose_C13-label-2 | 0.8796 | 1.2792 | 0.5916 | 1.2561 | 0.7041 | 0.8953 | 1.3603 | 0.9380 |
| ADP-ribose_C13-label-3 | 0.7123 | 0.8260 | NA | 1.1453 | 1.4481 | 0.7223 | 1.1755 | NA |
| Alanine_C12 PARENT | 1.9574 | 0.2670 | 0.5158 | 0.4007 | 1.9845 | 0.6740 | 0.4379 | 1.7622 |
| Alanine_C13-label-1 | 0.6087 | 0.8885 | 1.2008 | 1.0595 | 0.6258 | 1.0622 | 1.7293 | 0.8543 |
| Alanine_C13-label-2 | 0.3485 | 1.2360 | 1.1905 | 0.6749 | 0.3967 | 1.3628 | 1.9769 | 0.6496 |
| Alanine_C13-label-3 | 0.6408 | 1.1333 | 1.1047 | 0.9354 | 0.8003 | 0.9807 | 1.1857 | 1.1423 |
| AMP_C12 PARENT | 2.1408 | 0.8349 | 0.8564 | 0.9814 | 0.4241 | 2.0358 | 0.5267 | 0.2846 |
| AMP_C13-label-1 | 1.0045 | 0.9642 | 1.0927 | 1.1297 | 0.9565 | 0.8077 | 1.2166 | 0.9382 |
| AMP_C13-label-10 | NA | NA | 0.9353 | 0.8517 | NA | NA | 1.1874 | 1.0869 |
| AMP_C13-label-2 | 0.8921 | 1.0493 | 0.9686 | 0.7094 | 0.9990 | 0.5816 | 1.4414 | 1.3632 |
| AMP_C13-label-3 | 0.8567 | 0.9816 | 0.9679 | 1.2034 | 0.8455 | 0.5960 | 1.6104 | 1.0961 |
| AMP_C13-label-4 | 0.8248 | 1.0311 | 0.6347 | 0.9601 | 1.1989 | 0.4373 | 1.4936 | 1.4851 |
| AMP_C13-label-5 | 0.4473 | 0.8648 | 0.6007 | 1.3823 | 0.8976 | 0.6985 | 0.9137 | 1.4955 |
| Anserine_C12 PARENT | 0.7748 | 0.8227 | 0.9364 | 1.4876 | 0.8507 | 0.8004 | 0.9437 | 1.4701 |
| Anserine_C13-label-1 | 0.6104 | 1.0538 | 1.0287 | 1.6156 | 0.7782 | 0.5573 | 1.0989 | 1.4032 |
| Anserine_C13-label-7 | NA | 1.6697 | NA | NA | NA | NA | 0.3303 | NA |
| Arginine_C12 PARENT | 0.6964 | 1.0251 | 0.7958 | 1.0072 | 1.2951 | 0.7985 | 0.7574 | 1.5049 |
| Arginine_C13-label-1 | 0.9316 | 0.8897 | 0.7708 | 0.7584 | 1.5867 | 0.6384 | 0.7569 | 1.5633 |
| Asparagine_C12 PARENT | 0.5476 | 1.1407 | 0.8886 | 1.1590 | 1.2512 | 0.6219 | 1.0811 | 1.2757 |
| Asparagine_C13-label-1 | 0.7674 | 1.0810 | 0.7546 | 1.2980 | 1.1625 | 0.7104 | 1.1116 | 1.1555 |
| Aspartate_C12 PARENT | 0.7915 | 0.8874 | 0.6586 | 1.3509 | 0.8244 | 0.6320 | 1.3009 | 1.6418 |
| Aspartate_C13-label-1 | 0.5577 | 0.8554 | 1.3747 | 1.1115 | 1.0564 | 0.6450 | 0.9229 | 1.4751 |
| Aspartate_C13-label-2 | 0.4443 | 1.0049 | 1.2902 | 0.8815 | 0.5939 | 0.7271 | 1.8929 | 1.1805 |
| Aspartate_C13-label-3 | 0.3370 | 0.8256 | 1.0996 | 0.9400 | 0.8672 | 0.8605 | 1.5656 | 1.4129 |
| Aspartate_C13-label-4 | 0.6644 | 0.7218 | 0.9507 | 1.2298 | 0.8967 | 1.1435 | 0.9563 | 1.3728 |
| ATP_C12 PARENT | 1.2871 | 1.3407 | 0.5581 | 1.3701 | 0.5815 | 1.2154 | 0.9035 | 0.8238 |
| ATP_C13-label-1 | 1.5715 | 1.2785 | 0.5636 | 0.9943 | 0.4338 | 1.2563 | 1.0376 | 0.8702 |
| ATP_C13-label-2 | 1.9109 | 1.2270 | 0.4146 | 0.5245 | 0.6990 | 0.8838 | 1.0900 | 0.8065 |
| Carnitine_C12 PARENT | 0.7560 | 0.9553 | 1.1475 | 1.0980 | 0.9928 | 0.8302 | 1.0686 | 1.1650 |
| Carnitine_C13-label-1 | 0.8491 | 0.5491 | 1.0892 | 0.4984 | 0.5358 | 2.8050 | 0.5276 | 0.6467 |
| Carnitine_C13-label-2 | 0.6677 | 1.0062 | 1.2869 | 0.9821 | 0.6877 | 0.9495 | 1.1040 | 1.2790 |
| Carnosine_C12 PARENT | 0.5887 | 0.7379 | 0.9353 | 1.5343 | 0.9214 | 0.6458 | 0.8349 | 1.8545 |
| Carnosine_C13-label-1 | 1.0935 | 0.3348 | 0.5052 | 1.7257 | 1.6103 | 0.3957 | 1.7686 | 1.1482 |
| CDP-choline_C12 PARENT | 0.7057 | 0.8036 | 0.7077 | 0.9189 | 1.1073 | 0.8412 | 1.3978 | 1.4483 |
| CDP-choline_C13-label-1 | 0.6407 | 0.8367 | 0.6536 | 1.2642 | 1.3347 | 0.7721 | 1.0453 | 1.4151 |
| CDP-choline_C13-label-2 | 0.6641 | 0.8699 | 0.7341 | 1.2308 | 1.0321 | 0.6692 | 1.2936 | 1.5274 |
| CDP-choline_C13-label-3 | 0.6114 | 0.7808 | 0.6228 | 1.0035 | 1.2633 | 0.6460 | 1.3741 | 1.5157 |
| CDP-choline_C13-label-4 | NA | 0.9806 | NA | NA | NA | 0.9182 | 1.1831 | NA |
| CDP-choline_C13-label-5 | NA | NA | NA | NA | 0.9370 | NA | 1.0630 | NA |
| CDP-ethanolamine_C12 PARENT | 0.6694 | 0.8200 | 0.7614 | 1.4379 | 1.1522 | 0.6013 | 0.9870 | 1.6224 |
| CDP-ethanolamine_C13-label-1 | 0.7210 | 0.7101 | 0.8015 | 1.2874 | 1.0087 | 0.5521 | 1.3234 | 1.6800 |
| CDP-ethanolamine_C13-label-2 | 0.9423 | 0.8517 | 0.8225 | 1.2207 | 1.0229 | 0.6570 | 1.2979 | 1.2977 |
| CDP-ethanolamine_C13-label-3 | NA | 0.8940 | NA | 2.1717 | 1.1380 | 0.9088 | 1.0381 | 0.5931 |
| CDP-ethanolamine_C13-label-9 | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
| Choline_C12 PARENT | 0.6486 | 0.7326 | 0.9371 | 1.0889 | 1.3495 | 0.7621 | 1.2095 | 1.2516 |
| Choline_C13-label-1 | 0.6714 | 1.1275 | 0.7491 | 1.1279 | 1.0217 | 1.0251 | 1.3699 | 0.8635 |
| Choline_C13-label-2 | 0.9688 | 0.6350 | 0.7534 | 0.9245 | 1.4080 | 0.7633 | 1.1254 | 1.4077 |
| CMP_C12 PARENT | 0.8363 | 0.7882 | 0.7270 | 1.5004 | 1.2215 | 0.6648 | 1.0994 | 1.2816 |
| CMP_C13-label-1 | 0.8038 | 0.5615 | 0.8431 | 1.6237 | 1.0802 | 0.6998 | 1.1801 | 1.3481 |
| CMP_C13-label-2 | NA | 0.9018 | 0.8937 | 1.0701 | 0.8245 | 0.7976 | 1.1278 | 1.0401 |
| CMP_C13-label-8 | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| Coenzyme A_C12 PARENT | 1.4732 | 1.1638 | 0.5895 | 1.1115 | 0.9510 | 0.6315 | 1.6528 | 0.6809 |
| Coenzyme A_C13-label-1 | 1.5462 | 1.2544 | 0.3429 | 1.0897 | 0.7024 | 0.8638 | 1.5298 | 0.7598 |
| Coenzyme A_C13-label-16 | 0.2227 | NA | NA | NA | NA | NA | NA | 1.7773 |
| Coenzyme A_C13-label-2 | 0.6309 | 1.6292 | 0.4938 | 0.7635 | 0.5875 | 0.8076 | 1.9607 | 0.9639 |
| Coenzyme A_C13-label-3 | 1.2047 | 1.6272 | NA | 0.8536 | 0.6607 | 0.8799 | 0.8804 | NA |
| Creatine_C12 PARENT | 0.8817 | 1.0298 | 1.0663 | 1.0611 | 0.9419 | 1.0212 | 0.6887 | 1.2550 |
| Creatine_C13-label-1 | 1.1768 | 1.0130 | 0.6210 | 1.4579 | 0.9284 | 0.8270 | 0.5541 | 1.5101 |
| Creatine_C13-label-2 | 0.7560 | 1.1693 | 0.9721 | 1.0015 | 0.9764 | 0.6998 | 1.0502 | 1.3515 |
| Creatine phosphate_C12 PARENT | 1.6016 | 1.2369 | 1.0006 | 1.3723 | 1.2558 | 0.4219 | 0.2762 | 1.0923 |
| Creatine phosphate_C13-label-1 | 1.5098 | 1.3802 | 0.9529 | 0.8193 | 1.1899 | 0.5910 | 0.1841 | 1.2852 |
| Creatine phosphate_C13-label-2 | 1.0278 | 1.1054 | 0.9947 | 1.3106 | 0.9736 | 1.1431 | 0.0125 | 0.8302 |
| Creatinine_C12 PARENT | 0.6809 | 0.7102 | 1.1031 | 1.3355 | 0.7261 | 0.8107 | 0.8947 | 1.7702 |
| Creatinine_C13-label-1 | 0.4302 | 0.9342 | 0.9875 | 1.3297 | 0.8873 | 0.6841 | 1.0111 | 1.7121 |
| Creatinine_C13-label-2 | 0.6215 | 1.1937 | 1.2917 | 1.1350 | 1.2492 | 0.6242 | 0.7915 | 1.0355 |
| Cystathionine_C12 PARENT | 0.5638 | 0.9222 | 0.4438 | 1.1024 | 2.6801 | 0.4953 | 0.5104 | 1.1094 |
| Cystathionine_C13-label-1 | 0.8007 | 1.0521 | 0.4062 | 0.8676 | 2.4495 | 0.6753 | 0.7582 | 0.6630 |
| Cytidine_C12 PARENT | 0.6066 | 0.6323 | 0.8862 | 1.0971 | 1.5794 | 0.5481 | 0.8738 | 1.7222 |
| Cytidine_C13-label-1 | 0.8488 | 0.5381 | 0.6362 | 0.5755 | 2.1014 | 0.6097 | 0.7489 | 1.6070 |
| Cytosine_C12 PARENT | 0.7985 | 1.3085 | 0.7005 | 1.2056 | 0.8894 | 0.7474 | 0.6151 | 1.6744 |
| Cytosine_C13-label-1 | 0.7104 | 1.0448 | 0.5785 | 0.9541 | 0.9690 | 0.7176 | 1.0845 | 1.8375 |
| dAMP_C12 PARENT | 0.4434 | 1.4139 | 0.7858 | 1.4882 | 1.1449 | 0.6699 | 1.0864 | 0.9769 |
| dAMP_C13-label-1 | NA | NA | NA | 1.1003 | NA | NA | 0.9498 | NA |
| dAMP_C13-label-2 | NA | NA | NA | NA | 0.7584 | 1.2416 | NA | NA |
| dAMP_C13-label-7 | 0.6056 | 1.0198 | 0.8830 | 1.1962 | 1.2986 | 0.8266 | 0.9655 | 1.1512 |
| dAMP_C13-label-8 | 0.7316 | 1.0196 | 0.8707 | 1.0106 | 1.1285 | 0.9160 | 1.1818 | 1.0871 |
| Deoxycarnitine_C12 PARENT | 1.0894 | 0.6415 | 1.0016 | 1.0731 | 1.3599 | 1.1157 | 0.8374 | 0.8883 |
| Deoxycarnitine_C13-label-1 | 0.9283 | 0.9851 | 1.4062 | 1.4126 | 0.7686 | 0.8020 | 0.8865 | 0.9783 |
| Deoxycarnitine_C13-label-2 | 0.7411 | 0.6926 | 1.1556 | 1.3874 | 0.9776 | 0.8189 | 1.0047 | 1.3078 |
| Deoxycytidine_C12 PARENT | 0.8404 | 1.4040 | 0.9067 | 0.6030 | 0.7594 | 0.5478 | 0.8889 | 1.9262 |
| Deoxycytidine_C13-label-2 | 0.9880 | 0.5890 | 0.7431 | 1.7900 | 2.5645 | 0.5092 | 0.1865 | 0.0868 |
| Deoxycytidine_C13-label-3 | 0.5965 | 0.4936 | 1.0078 | 1.9351 | 1.7858 | 0.7643 | 0.9982 | 0.1509 |
| Dimethyl-arginine_C12 PARENT | 0.9066 | 0.9639 | 1.2110 | 1.3899 | 0.8304 | 0.4791 | 1.2328 | 1.2088 |
| Dimethyl-arginine_C13-label-1 | 0.8538 | 1.0511 | 1.0563 | 1.0423 | 0.8202 | 0.8248 | 0.9393 | 1.4070 |
| FAD_C12 PARENT | 0.9383 | 1.0499 | 0.7209 | 1.4416 | 0.8599 | 0.6518 | 1.6066 | 0.9361 |
| FAD_C13-label-1 | 1.0806 | 1.1636 | 0.5692 | 1.6573 | 0.8359 | 0.7697 | 1.2587 | 0.8225 |
| FAD_C13-label-2 | 0.7635 | 0.7725 | NA | 0.9282 | 0.7827 | 1.1299 | 1.6867 | 0.1075 |
| FAD_C13-label-26 | 0.9180 | NA | NA | NA | NA | NA | NA | 1.0820 |
| FAD_C13-label-5 | NA | 0.9645 | NA | NA | 1.0459 | NA | 0.9897 | NA |
| GDP_C12 PARENT | 1.5148 | 1.0056 | 0.5089 | 1.1081 | 0.8240 | 1.1264 | 1.1263 | 0.8937 |
| GDP_C13-label-1 | 1.8286 | 1.1737 | 0.5197 | 1.0248 | 0.6512 | 1.1168 | 0.9838 | 0.7558 |
| GDP_C13-label-10 | NA | NA | 1.0000 | NA | NA | NA | NA | NA |
| GDP_C13-label-2 | 0.1502 | 1.4246 | 1.2993 | 1.3285 | 0.1326 | 0.9363 | 1.2735 | 1.3425 |
| Glucosamine_C12 PARENT | 0.9704 | 1.3254 | 0.4930 | 1.4725 | 0.3865 | 2.4026 | 0.3496 | 0.3610 |
| Glucosamine_C13-label-1 | 0.7685 | 1.1339 | 0.4019 | 1.1269 | 0.2373 | 1.8673 | 0.7892 | 0.2988 |
| Glucosamine_C13-label-2 | 0.7185 | 1.1114 | 0.4788 | NA | 0.6923 | 1.2880 | 1.0991 | 0.5293 |
| Glucosamine_C13-label-6 | 1.3193 | 0.9955 | 0.5712 | 1.0750 | 1.1740 | 1.1836 | 0.5239 | 1.0534 |
| Glucose 6-phosphate_C12 PARENT | 1.1751 | 1.3851 | 0.3871 | 1.3035 | 0.2657 | 2.4822 | 0.3649 | 0.3831 |
| Glucose 6-phosphate_C13-label-1 | 1.1026 | 1.5466 | 0.5435 | 0.9032 | 0.2590 | 2.2442 | 0.4576 | 0.4127 |
| Glucose 6-phosphate_C13-label-2 | 0.7577 | 0.8985 | 0.4670 | 1.4102 | 0.2688 | 1.9546 | 0.4418 | 0.2723 |
| Glucose 6-phosphate_C13-label-3 | 0.6846 | 1.2346 | NA | 0.5318 | NA | 1.5895 | 0.4292 | 0.5392 |
| Glutamate_C12 PARENT | 0.3961 | 0.6173 | 1.1911 | 0.7597 | 0.8704 | 1.3919 | 1.3456 | 1.2073 |
| Glutamate_C13-label-1 | 0.5247 | 0.3622 | 0.9930 | 1.0914 | 1.2477 | 1.1667 | 1.1318 | 1.3668 |
| Glutamate_C13-label-2 | 0.1671 | 0.8652 | 1.1464 | 0.6767 | 0.8411 | 0.9157 | 2.0962 | 1.1509 |
| Glutamate_C13-label-3 | 0.3357 | 0.7958 | 1.3338 | 0.6545 | 0.7456 | 1.0102 | 1.9467 | 1.0707 |
| Glutamate_C13-label-4 | 0.3996 | 0.6711 | 1.4112 | 0.9630 | 0.7135 | 0.6805 | 2.0897 | 1.1495 |
| Glutamine_C12 PARENT | 0.8191 | 0.9549 | 0.8793 | 1.3427 | 0.9580 | 0.8415 | 1.1006 | 1.1699 |
| Glutamine_C13-label-1 | 0.6533 | 0.8467 | 1.5070 | 0.4624 | 1.0197 | 1.4303 | 0.5815 | 1.1976 |
| Glutamine_C13-label-2 | 0.8118 | 1.2089 | 1.3719 | 0.4666 | 0.6158 | 1.1492 | 1.6558 | 0.6394 |
| Glutamine_C13-label-3 | 0.6125 | 1.3323 | 0.9057 | 0.9108 | 0.6852 | 1.0710 | 1.2484 | 1.1098 |
| Glutamine_C13-label-4 | 0.7491 | 0.9379 | 1.0338 | 1.2777 | 0.6237 | 0.8771 | 1.2254 | 1.3375 |
| Glutaryl-Carnitine_C12 PARENT | 0.5816 | 1.2334 | 0.5514 | 0.3544 | 0.8068 | 1.0182 | 1.7444 | 1.4455 |
| Glutaryl-Carnitine_C13-label-1 | 0.3960 | 0.3924 | 1.5094 | 1.0039 | 1.0632 | 0.6527 | 1.1590 | 1.7971 |
| Glutaryl-Carnitine_C13-label-2 | 0.4484 | 0.4193 | 1.3011 | 0.9113 | 0.8179 | 0.5023 | 0.9605 | 2.5647 |
| Glutaryl-Carnitine_C13-label-3 | 0.3156 | NA | 0.8292 | 0.5463 | 1.0513 | 0.7150 | 0.9588 | 2.0619 |
| Glutaryl-Carnitine_C13-label-9 | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
| Glutathione_C12 PARENT | 0.4879 | 0.5118 | 0.4151 | 0.6224 | 0.9082 | 3.1350 | 0.4487 | 0.7494 |
| Glutathione_C13-label-1 | 1.2472 | 0.8803 | 1.1811 | 1.0407 | 0.6434 | 0.4957 | 1.0033 | 1.6889 |
| Glutathione_C13-label-2 | 0.7205 | 0.8105 | 0.6305 | 1.0497 | 1.1250 | 1.0192 | 1.4047 | 1.1764 |
| Glutathione_C13-label-3 | 0.7607 | 1.3730 | 0.7440 | 1.0801 | 0.9733 | 0.8040 | 0.8789 | 1.3147 |
| Glutathione_C13-label-4 | 0.6463 | 1.0740 | 0.6909 | 0.9861 | 0.8106 | 0.9585 | 1.6424 | 1.1397 |
| Glutathione_C13-label-5 | 0.5991 | 1.2919 | 1.1067 | 0.5817 | 0.8771 | 0.5649 | 1.1937 | 1.6711 |
| Glutathione Disulfide_C12 PARENT | 0.8281 | 0.8833 | 1.0282 | 1.5289 | 0.7362 | 0.6857 | 0.4563 | 1.9266 |
| Glutathione Disulfide_C13-label-1 | 0.8009 | 1.0618 | 1.0261 | 1.4111 | 0.9906 | 0.7200 | 0.7269 | 1.3278 |
| Glutathione Disulfide_C13-label-10 | NA | NA | NA | 0.8082 | NA | 1.1918 | NA | NA |
| Glutathione Disulfide_C13-label-2 | 0.2958 | 1.0158 | 1.1286 | 1.3404 | 0.9302 | 0.8954 | 0.9829 | 1.3378 |
| Glyceraldehyde-3-phosphate_C12 PARENT | 0.7241 | 1.0683 | 1.0888 | 1.2519 | 0.3789 | 1.0689 | 1.1957 | 1.2473 |
| Glycerol 3-phosphate_C12 PARENT | 0.8160 | 0.9982 | 0.8313 | 0.8776 | 0.6615 | 1.0912 | 1.5506 | 1.1277 |
| Glycerol 3-phosphate_C13-label-1 | 0.8833 | 0.8929 | 0.9452 | 1.1477 | 0.7735 | 1.2575 | 1.2024 | 0.8907 |
| Glycerol 3-phosphate_C13-label-2 | 0.4464 | 1.7394 | 0.5924 | 0.4253 | 0.3908 | 1.5029 | 1.8357 | 0.7339 |
| Glycerol 3-phosphate_C13-label-3 | 0.9991 | 1.2227 | 0.5266 | 0.9523 | 0.6755 | 0.9912 | 1.1179 | 1.4513 |
| Glycerophosphocholine_C12 PARENT | 2.5574 | 0.8891 | 0.2941 | 0.3523 | 0.6923 | 2.1489 | 0.5964 | 0.4068 |
| Glycerophosphocholine_C13-label-1 | 0.9368 | 0.5169 | 1.0313 | 1.1773 | 1.3170 | 0.7996 | 1.1998 | 1.1156 |
| Glycerophosphocholine_C13-label-2 | 0.2953 | 0.7046 | 1.0332 | 0.3361 | 1.0419 | 0.4087 | 2.0159 | 2.0075 |
| Glycerophosphocholine_C13-label-3 | 0.6839 | 0.9345 | 1.1193 | 1.0259 | 0.7136 | 0.4862 | 1.1797 | 1.8900 |
| Glycerophosphocholine_C13-label-4 | 0.6132 | 0.6791 | 0.8847 | 1.5236 | 1.2845 | 0.5651 | 1.2914 | 1.0039 |
| Glycerophosphocholine_C13-label-5 | 0.9609 | NA | NA | NA | 0.8867 | NA | 1.1524 | NA |
| Glycine_C12 PARENT | 0.9783 | 0.8099 | 0.9261 | 1.3895 | 1.0198 | 1.0149 | 0.9698 | 0.9799 |
| Glycine_C13-label-1 | 0.8254 | 0.7630 | 0.8996 | 0.8625 | 0.8397 | 0.9720 | 1.3668 | 1.4241 |
| Glycine_C13-label-2 | 0.8248 | 0.7453 | 0.9763 | 0.8882 | 0.7314 | 1.0914 | 1.2872 | 1.3980 |
| GMP_C12 PARENT | 0.7847 | 0.8628 | 0.8459 | 1.1956 | 1.2967 | 0.7455 | 0.9556 | 1.3157 |
| GMP_C13-label-1 | 0.9396 | 0.8837 | 0.7775 | 1.1587 | 1.0776 | 0.7364 | 1.1759 | 1.3097 |
| GMP_C13-label-2 | 0.7454 | 0.9713 | 0.7698 | 1.3723 | 0.9012 | 0.6802 | 1.2274 | 1.4113 |
| GMP_C13-label-3 | 0.6933 | 0.9543 | 0.7804 | 1.4718 | 0.8347 | 0.5696 | 1.3681 | 1.3499 |
| GMP_C13-label-4 | 0.8499 | 1.1404 | 1.1390 | 1.0221 | 0.7468 | 0.6002 | 1.0470 | 1.1181 |
| GMP_C13-label-5 | 1.2278 | 1.0626 | NA | 0.6564 | NA | NA | NA | 1.1671 |
| GMP_C13-label-8 | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| GTP_C12 PARENT | 2.1408 | 1.3165 | 0.5543 | 1.0430 | 0.7130 | 0.9821 | 0.8393 | 0.6014 |
| GTP_C13-label-1 | 0.8151 | 1.1435 | NA | 0.9492 | NA | 1.0821 | 1.3900 | NA |
| Guanidineacetic acid_C12 PARENT | 0.6756 | 0.8702 | 1.1773 | 0.9334 | 1.0414 | 0.9089 | 0.9990 | 1.3207 |
| Guanidineacetic acid_C13-label-1 | 0.5706 | 0.7412 | 1.1051 | 0.9402 | 0.9787 | 0.7202 | 1.1974 | 1.6901 |
| Guanidineacetic acid_C13-label-2 | 0.5903 | 0.7321 | 0.7785 | 0.7555 | 0.9587 | 0.7977 | 1.7636 | 1.4437 |
| Guanidinosuccinic acid_C12 PARENT | 1.1421 | 2.0088 | 2.2842 | 2.8282 | 0.0886 | 0.1472 | 0.2159 | 0.0412 |
| Guanidinosuccinic acid_C13-label-1 | 0.6692 | 1.8074 | 2.1865 | 1.1949 | 0.5539 | 0.2742 | 0.2103 | 0.0867 |
| Guanidinosuccinic acid_C13-label-2 | 0.4021 | 1.8729 | 2.5926 | 0.7429 | 0.4090 | 0.6043 | 0.5236 | 0.5332 |
| Guanidinosuccinic acid_C13-label-3 | 0.0286 | 1.0598 | 1.5436 | 0.4041 | NA | 0.8905 | 0.2982 | NA |
| Guanine_C12 PARENT | 0.8944 | 0.8417 | 0.7191 | 1.4522 | 0.8168 | 0.6590 | 1.0764 | 1.6589 |
| Guanine_C13-label-1 | 0.7578 | 0.7562 | 0.8389 | 1.3623 | 0.9800 | 0.7455 | 1.0307 | 1.5806 |
| Guanine_C13-label-5 | 0.9789 | 0.8979 | 0.7346 | 1.3266 | 0.5525 | 0.9646 | 1.1076 | 1.4512 |
| Guanosine_C12 PARENT | 0.9104 | 0.7024 | 0.6522 | 1.1775 | 1.3480 | 0.6571 | 0.6569 | 1.8708 |
| Guanosine_C13-label-1 | 0.5237 | 0.8106 | 1.2316 | 0.7642 | 1.0792 | 0.7609 | 0.3469 | 1.6423 |
| Histamine_C12 PARENT | 1.1707 | 0.8188 | 1.1080 | 0.9009 | 0.8535 | 0.5265 | 1.1658 | 1.5830 |
| Histamine_C13-label-1 | 1.1093 | 0.7251 | 0.6366 | 1.0564 | 0.8715 | 1.0033 | 1.2599 | 1.3700 |
| Homoarginine_C12 PARENT | 0.5918 | 0.4844 | 0.4522 | 0.2776 | 1.1724 | 0.6771 | 1.1509 | 2.8600 |
| Homoarginine_C13-label-1 | 0.6700 | 0.4111 | 0.4772 | 0.7491 | 1.2778 | 0.5592 | 0.7670 | 2.7188 |
| Hypotaurine_C12 PARENT | 0.9123 | 0.6194 | 0.6645 | 1.1470 | 0.9806 | 1.1684 | 1.3572 | 1.1466 |
| Hypotaurine_C13-label-1 | 0.6403 | 0.4062 | 0.4783 | 0.6247 | 3.0511 | 0.6942 | 0.8859 | 0.9623 |
| Hypotaurine_C13-label-2 | NA | NA | NA | NA | 1.0538 | NA | NA | 0.8386 |
| Hypoxanthine_C12 PARENT | 1.0727 | 1.2584 | 0.6669 | 1.6355 | 1.2220 | 1.0926 | 0.8026 | 0.3628 |
| Hypoxanthine_C13-label-1 | 0.7269 | 1.0369 | 1.0667 | 0.9522 | 1.1480 | 0.7617 | 1.0340 | 1.2304 |
| Hypoxanthine_C13-label-2 | 0.6911 | 0.9533 | 0.7656 | 0.6882 | 1.1455 | 0.8322 | 1.4562 | 1.3460 |
| IMP_C12 PARENT | 1.1769 | 1.3536 | 0.4696 | 0.8789 | 0.6036 | 1.4934 | 1.0314 | 0.8668 |
| IMP_C13-label-1 | 1.3643 | 1.2791 | 0.5102 | 1.0285 | 0.8483 | 1.4160 | 0.8938 | 0.6275 |
| IMP_C13-label-2 | 1.3955 | 1.2160 | 0.4778 | 1.1160 | 0.8327 | 1.4998 | 0.9312 | 0.5213 |
| IMP_C13-label-3 | 1.3419 | 1.3891 | 0.5181 | 0.8927 | 0.5793 | 1.0107 | 1.5955 | 0.7345 |
| IMP_C13-label-4 | 0.7775 | 1.0368 | NA | 1.1157 | NA | 1.3146 | 0.6944 | 0.8449 |
| IMP_C13-label-5 | 1.0010 | 0.9990 | NA | NA | NA | NA | NA | NA |
| IMP_C13-label-9 | NA | NA | NA | NA | NA | NA | 1.0000 | NA |
| Inosine_C12 PARENT | 0.9387 | 0.8581 | 0.7796 | 0.5951 | 0.9418 | 1.2812 | 1.4688 | 0.9988 |
| Inosine_C13-label-1 | 0.7942 | 1.0343 | 1.0104 | 1.2546 | 0.8202 | 0.9067 | 0.9229 | 1.2746 |
| Inosine_C13-label-2 | 0.5350 | 1.3445 | 0.8592 | 1.2311 | 0.6684 | 0.8839 | 1.3596 | 1.0994 |
| Inosine_C13-label-3 | 0.5127 | 1.2915 | 0.9547 | 0.9697 | 0.5620 | 0.8150 | 1.9385 | 0.9620 |
| Inosine_C13-label-4 | 0.3644 | 1.7776 | 0.8555 | 0.9762 | 0.6199 | 0.8040 | 1.3786 | 0.6502 |
| Isoleucine_C12 PARENT | 1.0908 | 1.1307 | 1.1059 | 1.6564 | 0.7619 | 0.4268 | 0.7892 | 1.2848 |
| Isoleucine_C13-label-1 | 0.9833 | 0.9297 | 0.7315 | 1.3352 | 1.4524 | 0.5798 | 0.8216 | 1.2536 |
| Isoleucine_C13-label-4 | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
| Leucine_C12 PARENT | 2.0393 | 1.3142 | 1.2455 | 0.2133 | 0.3256 | 1.2488 | 1.5062 | 0.2511 |
| Leucine_C13-label-1 | 0.7256 | 0.6516 | 0.7559 | 1.2814 | 1.7583 | 0.7799 | 0.5847 | 1.4017 |
| Leucine_C13-label-2 | 0.8508 | 0.9862 | 0.5795 | 1.3615 | 1.4655 | 0.6813 | 0.8300 | 1.2669 |
| Leucine_C13-label-6 | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
| Lysine_C12 PARENT | 1.2070 | 1.0249 | 1.0661 | 1.3657 | 0.4914 | 0.8373 | 0.9101 | 1.2809 |
| Lysine_C13-label-1 | 0.9761 | 1.0815 | 0.7996 | 1.2752 | 1.1091 | 1.0139 | 1.0373 | 0.7297 |
| Methionine_C12 PARENT | 0.8721 | 0.9648 | 0.9214 | 1.6374 | 0.9249 | 0.4815 | 0.8922 | 1.4989 |
| Methionine_C13-label-1 | 0.6388 | 0.8552 | 0.8591 | 1.3813 | 1.3711 | 0.5504 | 0.9380 | 1.4471 |
| Methionine_C13-label-2 | NA | 1.1173 | NA | 1.4876 | 1.1595 | NA | 1.1278 | 0.1078 |
| Methyl-histidine_C12 PARENT | 0.6153 | 1.2007 | 0.9985 | 0.8862 | 0.8406 | 0.8386 | 1.0659 | 1.4440 |
| Methyl-histidine_C13-label-1 | 0.4969 | 1.1927 | 1.0888 | 0.8343 | 0.8270 | 0.7154 | 1.0886 | 1.6312 |
| Methylnicotinamide_C12 PARENT | 0.8142 | 0.9547 | 1.1884 | 1.1935 | 0.7087 | 1.1141 | 0.8080 | 1.2036 |
| Methylnicotinamide_C13-label-1 | 0.8240 | 1.1260 | 0.9994 | 0.9998 | 1.3532 | 0.8383 | 0.5640 | 1.2058 |
| Methylnicotinamide_C13-label-2 | 0.7192 | 0.5067 | 1.2066 | 0.7714 | 1.6080 | 0.7785 | 0.7040 | 1.4943 |
| N-Acetyl-Glucosamine_C12 PARENT | 0.5322 | 0.5887 | 0.8019 | 0.9015 | 1.3218 | 0.4302 | 1.4974 | 1.8886 |
| N-Acetyl-Glucosamine_C13-label-1 | 0.8961 | 0.8720 | 0.6737 | 1.5272 | 0.9493 | 0.6430 | 1.3003 | 0.9858 |
| N-Acetyl-Glucosamine_C13-label-2 | 0.8578 | 1.1858 | 2.0640 | 0.6451 | 0.6592 | 0.8641 | 0.9824 | 0.6267 |
| N-Acetyl-Glucosamine_C13-label-5 | NA | NA | 1.0625 | NA | NA | NA | NA | 0.9375 |
| N-Acetyl-glutamate_C12 PARENT | 0.5264 | 0.8276 | 0.6987 | 0.5063 | 2.2187 | 0.8631 | 1.0334 | 1.0307 |
| N-Acetyl-glutamate_C13-label-1 | 0.6984 | 0.9815 | 0.8319 | 0.5050 | 1.4329 | 1.3324 | 0.8176 | 1.0752 |
| N-Acetyl-glutamate_C13-label-2 | 0.4619 | 0.8847 | 0.7454 | 0.5561 | 1.5013 | 1.3054 | 1.2632 | 0.9591 |
| N-Acetyl-glutamate_C13-label-3 | 0.5614 | 1.0260 | 0.7351 | 0.4188 | 1.7624 | 1.2887 | 1.0238 | 0.7053 |
| N-Acetylglycine_C12 PARENT | 1.1130 | 1.1779 | 0.7692 | 0.9218 | 0.7738 | 0.6373 | 1.3719 | 1.3170 |
| N-acetyl-L-ornithine_C12 PARENT | 0.9221 | 0.8045 | 0.7870 | 0.8493 | 1.5379 | 0.6797 | 0.5488 | 1.7563 |
| N-Acetyl-lysine_C12 PARENT | 1.0507 | 1.0367 | 0.9689 | 1.1479 | 1.2918 | 0.8887 | 0.9008 | 0.7685 |
| N-Acetyl-lysine_C13-label-1 | 0.7567 | 1.1535 | 0.9226 | 1.1588 | 1.3499 | 1.0102 | 0.9262 | 0.6748 |
| N-Acetyl-Serotonin_C12 PARENT | 0.3999 | 0.6425 | 1.0296 | 1.1500 | 0.8718 | 0.7972 | 1.2201 | 1.8249 |
| N-Acetyl-Serotonin_C13-label-1 | 0.9539 | 0.9260 | 0.7932 | 0.7157 | 0.7244 | 0.8152 | 1.1918 | 1.8097 |
| NAD_C12 PARENT | 0.9439 | 0.7962 | 0.7160 | 1.4549 | 0.9306 | 0.8241 | 1.1062 | 1.3418 |
| NAD_C13-label-1 | 0.9852 | 1.1244 | 0.6588 | 0.8546 | 1.1215 | 0.8094 | 1.3359 | 1.0909 |
| NAD_C13-label-2 | 0.8501 | 1.0507 | 0.7557 | 1.3454 | 0.8974 | 0.8003 | 1.3452 | 1.0540 |
| NAD_C13-label-3 | 0.7147 | 0.7877 | 0.9824 | 1.3222 | 0.9092 | 0.5221 | 1.5584 | 1.3594 |
| NAD_C13-label-4 | 0.5598 | 0.7584 | 1.0203 | 1.5283 | 0.8454 | 0.7536 | 1.4973 | 1.1742 |
| NAD_C13-label-5 | 1.1577 | 0.9670 | 0.9186 | 1.0378 | 0.9553 | 0.5983 | 1.2575 | 1.0769 |
| NAD_C13-label-6 | NA | NA | NA | NA | NA | 0.8254 | 1.1746 | NA |
| NADH_C12 PARENT | 1.2977 | 0.9498 | 0.6185 | 0.6755 | 1.2374 | 0.7104 | 1.5040 | 1.0580 |
| NADH_C13-label-1 | 1.2982 | 0.8901 | 0.6326 | 0.8555 | 1.0668 | 0.5065 | 1.4155 | 1.4462 |
| NADH_C13-label-2 | 0.9621 | 0.8030 | 1.0467 | 1.2188 | 0.8144 | 0.5050 | 0.8925 | 1.8779 |
| NADH_C13-label-3 | 0.4595 | 0.8227 | 0.8710 | 1.7368 | 0.8138 | 0.6420 | 1.1380 | 1.1657 |
| NADH_C13-label-4 | NA | 1.2413 | 0.4540 | 0.9282 | 1.1175 | 1.0224 | 1.0676 | 1.2287 |
| NADP_C12 PARENT | 1.1395 | 0.9542 | 0.4964 | 1.3911 | 0.9082 | 1.0403 | 1.3798 | 0.8186 |
| NADP_C13-label-1 | 1.2604 | 0.7916 | 0.5643 | 1.6117 | 0.9102 | 0.9173 | 1.3221 | 0.8671 |
| NADP_C13-label-10 | NA | NA | NA | NA | NA | NA | 1.0000 | NA |
| NADP_C13-label-11 | NA | NA | NA | NA | NA | 0.0864 | 1.4568 | NA |
| NADP_C13-label-14 | NA | NA | 0.1682 | NA | NA | NA | 1.8318 | NA |
| NADP_C13-label-15 | NA | NA | 0.9490 | 0.9429 | NA | NA | 1.1202 | 0.9879 |
| NADP_C13-label-17 | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
| NADP_C13-label-2 | 1.2375 | 1.1304 | 0.6678 | 1.7328 | 0.6916 | 0.7004 | 1.3264 | 0.7759 |
| NADP_C13-label-3 | 0.8093 | 1.2241 | 1.2602 | 1.5512 | 0.1422 | 0.5959 | 1.4155 | NA |
| NADP_C13-label-4 | 0.8272 | 1.1961 | NA | 1.1529 | 0.8661 | NA | 0.8996 | 1.0056 |
| NADP_C13-label-7 | NA | NA | NA | NA | NA | 0.9044 | 1.0956 | NA |
| NADP_C13-label-8 | NA | NA | 0.9311 | NA | NA | NA | NA | 1.0689 |
| NADP_C13-label-9 | NA | NA | NA | NA | 1.0971 | NA | NA | 0.9029 |
| Nicotinamide_C12 PARENT | 0.7191 | 1.0131 | 0.6898 | 1.1074 | 1.0341 | 1.2318 | 1.0665 | 1.0208 |
| Nicotinamide_C13-label-1 | 1.0748 | 1.5551 | 0.5745 | 0.9118 | 0.4265 | 1.0635 | 1.3754 | 0.9982 |
| Nicotinamide_C13-label-2 | 0.7728 | 0.9536 | 0.7029 | 1.2084 | 1.1326 | 0.9688 | 1.0946 | 1.1364 |
| O-Phosphorylethanolamine_C12 PARENT | 0.3836 | 0.7905 | 1.1266 | 1.1212 | 1.0235 | 0.9734 | 1.2082 | 1.2831 |
| O-Phosphorylethanolamine_C13-label-1 | 1.0726 | 0.6852 | 0.9523 | 0.9711 | 1.0307 | 0.6516 | 1.1524 | 1.5613 |
| Ophthalmate_C12 PARENT | 0.4248 | 1.0791 | 0.8504 | 0.7332 | 0.7883 | 0.8947 | 2.5359 | 0.6661 |
| Ophthalmate_C13-label-1 | 0.2020 | 0.8238 | 1.8719 | 0.5414 | 0.4009 | 1.3019 | 2.0798 | 0.6550 |
| Ophthalmate_C13-label-10 | NA | 0.4926 | 1.7053 | NA | 0.6619 | 1.0447 | 1.1253 | 0.7267 |
| Ophthalmate_C13-label-2 | 0.2286 | 0.8312 | 1.3249 | 0.2767 | 0.3527 | 1.6706 | 2.5889 | 0.4770 |
| Ophthalmate_C13-label-3 | 0.1408 | 0.8261 | 1.2113 | 0.3626 | 0.3240 | 1.8676 | 2.4705 | 0.4859 |
| Ophthalmate_C13-label-4 | 0.2142 | 0.5572 | 1.1161 | 0.1385 | 0.1622 | 1.4027 | 1.8859 | 0.2316 |
| Ophthalmate_C13-label-5 | NA | NA | 0.9260 | NA | 0.6416 | 1.1238 | 1.1849 | NA |
| Ornithine_C12 PARENT | 0.9380 | 0.8973 | 0.5016 | 1.1402 | 1.4934 | 0.6433 | 0.9716 | 1.4126 |
| Ornithine_C13-label-1 | 0.5635 | 0.5450 | 0.6332 | 0.8169 | 2.5449 | 0.3339 | 0.6136 | 1.7596 |
| Ornithine_C13-label-2 | 0.7277 | 0.7107 | 0.7207 | 0.7407 | 2.2252 | 0.3169 | 0.8449 | 1.5968 |
| Phenylacetaldehyde_C12 PARENT | 0.4515 | 0.9646 | 1.1881 | 0.8591 | 0.8525 | 0.7336 | 1.3172 | 1.5466 |
| Phenylacetaldehyde_C13-label-1 | 0.6901 | 0.9405 | 1.3026 | 0.9511 | 0.8520 | 0.7039 | 1.2361 | 1.3405 |
| Phenylacetaldehyde_C13-label-2 | 0.7631 | 1.7682 | 2.5388 | 1.0663 | 1.2193 | 0.3353 | 0.4536 | NA |
| Phenylacetaldehyde_C13-label-8 | 0.6619 | 0.9621 | 1.0164 | 0.3987 | 1.0952 | 0.8969 | 1.0591 | 1.6669 |
| Phenylalanine_C12 PARENT | 0.4482 | 1.2723 | 1.1242 | 1.5120 | 1.5759 | 0.8303 | 0.5757 | 0.6314 |
| Phenylalanine_C13-label-1 | 0.6443 | 1.0164 | 0.7301 | 1.4341 | 1.3408 | 0.7365 | 0.9315 | 1.1781 |
| Phenylalanine_C13-label-2 | 0.7636 | 0.8067 | 0.9036 | 1.4145 | 1.2405 | 0.7320 | 0.9671 | 1.2426 |
| Phosphocholine_C12 PARENT | 0.2791 | 0.9883 | 0.6663 | 0.1224 | 1.3867 | 1.8415 | 0.9906 | 1.0992 |
| Phosphocholine_C13-label-1 | 1.0486 | 0.7407 | 1.2495 | 1.6916 | 0.9643 | 0.8551 | 0.5899 | 1.0697 |
| Phosphocholine_C13-label-2 | 1.2146 | 1.0372 | 0.9177 | 1.1267 | 1.0970 | 0.4029 | 0.9034 | 1.1336 |
| Pipecolate_C12 PARENT | 0.7746 | 0.7802 | 0.5096 | 0.9374 | 1.1436 | 0.9980 | 0.9121 | 1.7799 |
| Pipecolate_C13-label-1 | 0.8076 | 0.8025 | 0.8575 | 0.9421 | 1.0030 | 1.1171 | 0.8694 | 1.4736 |
| Porphobilinogen_C12 PARENT | 0.3369 | 0.7320 | 1.4004 | 0.5244 | 0.6805 | 1.5277 | 1.9527 | 0.6380 |
| Porphobilinogen_C13-label-1 | 0.2768 | 0.8103 | 1.4340 | 0.3866 | 0.6172 | 1.3695 | 2.3724 | 0.5565 |
| Porphobilinogen_C13-label-2 | 0.2780 | 0.8099 | 1.0715 | 0.2741 | 0.3265 | 1.6413 | 2.2817 | 0.4489 |
| Porphobilinogen_C13-label-3 | NA | 0.6552 | 0.9133 | NA | 0.6045 | 1.2898 | 1.3229 | 0.4754 |
| Porphobilinogen_C13-label-6 | NA | NA | NA | NA | 1.0000 | NA | NA | NA |
| Proline_C12 PARENT | 0.5768 | 0.7064 | 1.3068 | 0.3680 | 0.8614 | 0.8145 | 1.5194 | 1.6897 |
| Proline_C13-label-1 | 0.7352 | 0.7632 | 1.1252 | 1.1457 | 1.1957 | 0.8999 | 1.1651 | 0.9918 |
| Proline_C13-label-2 | 0.2036 | 0.8125 | 1.3855 | 0.6415 | 0.6274 | 1.3549 | 2.0650 | 0.7361 |
| Pterine_C12 PARENT | 0.5735 | 1.0175 | 0.6712 | 1.6361 | 0.8257 | 0.8418 | 1.2259 | 1.2761 |
| Pterine_C13-label-1 | 0.6130 | 1.1543 | 0.8451 | 1.4576 | 0.8779 | 1.0113 | 1.0021 | 1.0149 |
| Pterine_C13-label-2 | NA | NA | NA | 0.9718 | 1.0882 | 0.9890 | 1.0315 | 0.9880 |
| Pyridoxal_C12 PARENT | 0.2915 | 0.6082 | 1.2124 | 1.1270 | 0.8173 | 0.5535 | 1.6669 | 1.7464 |
| Pyridoxal_C13-label-1 | 0.3207 | 0.5239 | 0.9072 | 1.4222 | 0.7472 | 0.6146 | 1.5220 | 1.9851 |
| Pyridoxal_C13-label-2 | NA | 0.8661 | NA | 1.1080 | NA | NA | NA | 1.1599 |
| Pyridoxamine 5-phosphate_C12 PARENT | 0.7030 | 0.9720 | 1.0809 | 1.1340 | 0.8090 | 0.8093 | 1.1651 | 1.3427 |
| Pyridoxamine 5-phosphate_C13-label-1 | 0.9052 | 1.1153 | 1.2223 | 1.0987 | 0.7417 | 0.5869 | 1.2671 | 1.1927 |
| Pyridoxine_C12 PARENT | 0.7724 | 2.1477 | 0.7514 | 0.7398 | 0.9242 | 0.7649 | 0.9823 | 0.7734 |
| Pyrimidine_C12 PARENT | 0.6802 | 1.1031 | 0.8871 | 0.7750 | 1.1203 | 0.8985 | 1.1377 | 1.2605 |
| Pyroglutamate_C12 PARENT | 0.9145 | 0.7530 | 0.8526 | 1.2210 | 1.0882 | 0.5203 | 1.3443 | 1.3187 |
| Pyroglutamate_C13-label-1 | NA | 1.2513 | 1.2841 | 0.8618 | NA | NA | NA | 1.0173 |
| Pyroglutamate_C13-label-3 | 0.7756 | 1.1840 | 0.5645 | 0.4334 | 1.6336 | 0.7987 | 1.6639 | 0.3052 |
| Riboflavin_C12 PARENT | 0.7520 | 0.6641 | 1.0654 | 1.0059 | 1.4067 | 0.4090 | 0.9865 | 1.7330 |
| Riboflavin_C13-label-1 | 0.7368 | 0.9275 | 0.9391 | 1.0226 | 1.2842 | 0.1807 | 0.9358 | 1.4685 |
| Riboflavin_C13-label-10 | 0.9385 | 1.2628 | 1.0138 | 1.0569 | 0.6853 | 0.7126 | 0.6578 | 1.6583 |
| Riboflavin_C13-label-14 | 0.7247 | 1.0926 | 0.8236 | 1.1220 | 0.9366 | 1.1132 | 1.0765 | 1.1059 |
| Riboflavin_C13-label-2 | 1.0772 | 0.9248 | 1.0268 | 1.2145 | 1.0042 | 0.9445 | 0.9249 | 0.9651 |
| Riboflavin_C13-label-3 | NA | 0.8940 | NA | NA | NA | NA | 1.1060 | NA |
| Riboflavin_C13-label-4 | NA | NA | NA | 1.0000 | NA | NA | NA | NA |
| Riboflavin_C13-label-7 | 1.0130 | NA | NA | NA | NA | 0.9870 | NA | NA |
| Ribose 5-phosphate_C12 PARENT | 0.9914 | 1.2370 | 0.8297 | 1.2206 | 0.7040 | 1.0639 | 1.1666 | 0.8378 |
| Ribose 5-phosphate_C13-label-1 | 0.5309 | 1.1482 | NA | 0.9986 | 1.3847 | 1.1643 | 0.9536 | 0.8159 |
| S-Adenosyl-homocysteine_C12 PARENT | 0.5585 | 1.0666 | 0.7768 | 1.7213 | 1.0428 | 0.6134 | 0.7685 | 1.5223 |
| S-Adenosyl-homocysteine_C13-label-1 | 0.7208 | 1.3117 | 0.7506 | 1.2989 | 1.0246 | 0.6608 | 0.9809 | 1.2675 |
| S-Adenosyl-homocysteine_C13-label-2 | 0.3792 | 1.4835 | 1.4948 | 0.1577 | 1.0332 | 0.5387 | 0.9701 | 1.7278 |
| S-Adenosyl-homocysteine_C13-label-3 | 0.6432 | 1.2926 | 1.2895 | 0.7058 | NA | 0.7275 | 0.7663 | 1.2438 |
| S-Adenosyl-homocysteine_C13-label-5 | NA | NA | 1.0000 | NA | NA | NA | NA | NA |
| S-Adenosylmethionine_C12 PARENT | 1.0576 | 0.7015 | 0.9405 | 1.2558 | 1.1386 | 0.8915 | 1.0320 | 1.0836 |
| S-Adenosylmethionine_C13-label-1 | 1.0176 | 0.9104 | 0.9385 | 0.9394 | 1.0677 | 0.9016 | 1.0143 | 1.2055 |
| S-Adenosylmethionine_C13-label-2 | 0.9529 | 1.1673 | 0.9285 | 1.1641 | 0.8967 | 0.8671 | 1.0001 | 1.0552 |
| Serine_C12 PARENT | 1.1657 | 0.7337 | 1.0133 | 1.2917 | 0.5602 | 1.0512 | 1.0044 | 1.3056 |
| Serine_C13-label-1 | 0.7755 | 0.8718 | 0.7778 | 0.9745 | 1.0785 | 1.0400 | 1.3046 | 1.1120 |
| Serine_C13-label-2 | 0.4810 | 0.6976 | 1.3699 | 0.7866 | 1.0661 | 1.0829 | 1.1081 | 1.2551 |
| Taurine_C12 PARENT | 0.8410 | 0.9171 | 0.8894 | 1.1077 | 0.9811 | 0.9348 | 1.0704 | 1.2474 |
| Taurine_C13-label-1 | 0.4877 | 0.7968 | 0.8491 | 1.1524 | 0.9809 | 1.0222 | 1.3095 | 1.3181 |
| Thiamine_C12 PARENT | 0.6283 | 0.8795 | 0.9416 | 0.9064 | 1.0370 | 1.1935 | 1.1868 | 1.0847 |
| Thiamine_C13-label-1 | 0.8437 | 1.1085 | 0.7888 | 1.6074 | 0.9962 | 0.9172 | 1.0104 | 0.8398 |
| Thiamine monophosphate_C12 PARENT | 1.1538 | 0.7512 | 0.7915 | 0.8078 | 1.1393 | 0.8932 | 1.3128 | 1.1696 |
| Thiamine monophosphate_C13-label-1 | 1.3491 | 1.1965 | 0.4308 | 0.9884 | 1.2131 | 0.8252 | 1.3379 | 0.6965 |
| Thiamine monophosphate_C13-label-11 | NA | NA | NA | NA | NA | 1.0000 | NA | NA |
| Threonine_C12 PARENT | 0.8657 | 0.9262 | 0.7591 | 1.1713 | 1.4149 | 0.7331 | 1.0316 | 1.1170 |
| Threonine_C13-label-1 | 0.6317 | 0.8496 | 0.6534 | 1.1023 | 1.7285 | 0.7782 | 0.9343 | 1.2188 |
| trans-4-Hydroxy-L-proline_C12 PARENT | 0.8020 | 0.7401 | 1.0531 | 0.9592 | 0.8979 | 0.9024 | 0.8526 | 1.7249 |
| trans-4-Hydroxy-L-proline_C13-label-1 | 0.8697 | 0.6118 | 0.8110 | 1.2557 | 0.9959 | 0.8270 | 0.9284 | 1.7238 |
| Trimethylglycine (Betaine)_C12 PARENT | 0.9223 | 1.0101 | 0.9175 | 1.0463 | 0.8884 | 1.1116 | 0.9816 | 1.0828 |
| Trimethylglycine (Betaine)_C13-label-1 | 0.8693 | 1.5778 | 0.4648 | 0.5347 | 1.3004 | 1.0435 | 1.4652 | 0.5579 |
| Trimethylglycine (Betaine)_C13-label-2 | 0.9318 | 1.0238 | 0.9111 | 0.8663 | 0.9185 | 1.1102 | 1.0040 | 1.1488 |
| Tryptophan_C12 PARENT | 0.8822 | 0.9208 | 0.7326 | 1.3890 | 1.0861 | 0.6322 | 0.9011 | 1.5338 |
| Tryptophan_C13-label-1 | 0.8913 | 1.1128 | 0.9048 | 1.4227 | 1.0335 | 0.5721 | 0.8906 | 1.2937 |
| Tryptophan_C13-label-2 | 0.7552 | 1.1926 | 0.7492 | 1.0552 | 1.2448 | 0.4176 | 0.5996 | 1.8860 |
| Tyrosine_C12 PARENT | 0.8260 | 0.9240 | 0.8951 | 1.4570 | 1.1231 | 0.5861 | 0.7720 | 1.5093 |
| Tyrosine_C13-label-1 | 0.8382 | 0.7454 | 0.8483 | 1.3887 | 1.0900 | 0.6470 | 1.0513 | 1.4919 |
| Tyrosine_C13-label-2 | 0.9012 | 0.8883 | 0.0752 | 1.4196 | 1.1586 | 1.6910 | 0.4190 | 1.0905 |
| UDP_C12 PARENT | 1.1401 | 0.7879 | 0.7325 | 1.1901 | 1.2956 | 0.6156 | 1.2505 | 1.1345 |
| UDP_C13-label-1 | 1.0727 | 0.8204 | 0.8351 | 1.8240 | 1.1225 | 0.5628 | 0.7772 | 1.2251 |
| UDP_C13-label-2 | 1.1557 | 0.7666 | 0.9532 | 1.5427 | 1.0889 | 0.7838 | 0.8724 | 0.9428 |
| UDP_C13-label-3 | 0.8325 | NA | 1.1138 | 1.0538 | NA | NA | NA | NA |
| UDP-Glucose_C12 PARENT | 1.1943 | 0.5400 | 0.8643 | 2.1162 | 0.7922 | 0.6522 | 0.9004 | 1.3116 |
| UDP-Glucose_C13-label-1 | 1.1485 | 0.0967 | 0.9607 | 0.6870 | 0.9237 | 1.3584 | 1.0790 | 1.2515 |
| UDP-Glucose_C13-label-2 | NA | NA | NA | 1.0021 | 0.8827 | NA | 1.1130 | NA |
| UDP-N-acetylglucosamine_C12 PARENT | 1.1956 | 0.9123 | 0.7637 | 1.2970 | 1.1363 | 0.7630 | 0.9161 | 1.1447 |
| UDP-N-acetylglucosamine_C13-label-1 | 1.1446 | 0.8667 | 0.7999 | 1.1594 | 1.1557 | 0.7741 | 0.9597 | 1.2247 |
| UDP-N-acetylglucosamine_C13-label-11 | NA | NA | NA | NA | NA | NA | 1.0000 | NA |
| UDP-N-acetylglucosamine_C13-label-2 | 1.0988 | 1.0350 | 0.8503 | 1.2312 | 0.6908 | 0.8678 | 1.2454 | 1.1075 |
| UDP-N-acetylglucosamine_C13-label-3 | 1.0183 | 1.0988 | 0.8973 | 1.0926 | 0.8745 | 0.6996 | 1.4310 | 0.9947 |
| UDP-N-acetylglucosamine_C13-label-4 | 1.3836 | 1.1897 | 0.9830 | 1.0859 | 0.6700 | 0.6491 | 1.5254 | 0.7823 |
| UDP-N-acetylglucosamine_C13-label-5 | 1.1780 | 0.8763 | 0.9101 | 0.9294 | 0.8716 | 0.8967 | 1.0489 | 1.5028 |
| UDP-N-acetylglucosamine_C13-label-6 | 1.8863 | 0.6933 | 1.4399 | 1.6935 | 0.6580 | 0.4233 | 0.6084 | 0.6801 |
| UDP-N-acetylglucosamine_C13-label-7 | NA | 0.1512 | NA | NA | 1.8488 | NA | NA | NA |
| UMP_C12 PARENT | 0.1538 | 1.2588 | 0.6588 | 0.9850 | 1.2113 | 0.9109 | 1.4217 | 1.1779 |
| UMP_C13-label-1 | 1.0038 | 0.9842 | 0.5727 | 1.0793 | 1.2270 | 0.6620 | 1.3092 | 1.2170 |
| UMP_C13-label-2 | 0.9202 | 0.9612 | 0.6322 | 1.3894 | 0.9408 | 0.7320 | 1.4685 | 1.0969 |
| UMP_C13-label-3 | 0.5451 | 1.0464 | 0.9959 | 0.6943 | 0.8326 | 0.6924 | 1.9930 | 1.1677 |
| UMP_C13-label-4 | 0.6060 | 1.3586 | 0.7975 | NA | NA | 0.5620 | 1.2811 | 0.7889 |
| UMP_C13-label-5 | NA | 0.6131 | 1.0439 | 0.9186 | 0.9778 | 1.2163 | 1.1716 | 0.9892 |
| UMP_C13-label-6 | 0.8234 | 0.8887 | 0.9163 | 1.0612 | 0.8750 | 1.1319 | 1.1908 | 1.0762 |
| UMP_C13-label-7 | NA | 1.0042 | 0.8962 | 0.8471 | NA | 1.0881 | NA | 1.1602 |
| UMP_C13-label-9 | 1.1179 | 0.8006 | 1.0493 | 1.2175 | 1.0438 | 0.9711 | NA | 0.9789 |
| Uridine_C12 PARENT | 1.0176 | 0.8635 | 0.7923 | 1.0395 | 0.7846 | 0.6755 | 1.5011 | 1.4304 |
| UTP_C12 PARENT | 1.6408 | 1.1070 | 0.6088 | 1.0712 | 0.5148 | 1.3814 | 0.6286 | 0.8924 |
| UTP_C13-label-1 | 0.9787 | 0.9174 | NA | 1.0603 | NA | 1.2090 | 0.9387 | NA |
| Xanthine_C12 PARENT | 0.2305 | 0.7943 | 1.2621 | 0.9488 | 0.6835 | 0.3536 | 1.4285 | 2.2552 |
| Xanthine_C13-label-1 | 0.7403 | 1.1637 | 0.6559 | 1.1370 | NA | 0.7328 | 1.2473 | 1.1077 |
| Xanthine_C13-label-3 | NA | NA | NA | 1.5373 | NA | 1.0963 | NA | 0.6832 |
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 |