Data for (Study ST002587)
(Analysis AN004259)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 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 2-hydroxyglutaric (433,245) | 0.6359 | 0.7161 | 1.5123 | 1.4192 | 1.6249 | 1.6476 | 1.3490 | 0.8924 | 1.3915 | 1.4286 | 0.9194 | 0.5862 | 1.0966 | 1.1068 | 0.7398 | 0.4384 | 1.1770 | 0.8411 |
| 2-hydroxyglutaric M+1 | 0.6132 | 0.7340 | 1.4818 | 1.4706 | 1.4876 | 1.6562 | 1.3147 | 0.9668 | 1.2961 | 1.5180 | 0.8730 | 0.6058 | 1.1601 | 1.1385 | 0.7257 | 0.4382 | 1.2499 | 0.8005 |
| 2-hydroxyglutaric M+2 | 0.5520 | 0.7080 | 1.5991 | 1.2868 | 1.5211 | 1.6054 | 1.5987 | 0.8744 | 1.2929 | 1.3503 | 1.0333 | 0.5199 | 0.9663 | 1.0648 | 0.8155 | 0.3769 | 1.1335 | 0.7314 |
| 2-hydroxyglutaric M+3 | 0.6881 | 0.3820 | 1.3811 | 2.0933 | 1.0052 | 1.4250 | 1.2945 | 1.3931 | 1.1354 | 1.0800 | 0.6289 | 0.4791 | 0.7649 | 0.6813 | 0.7053 | 0.5351 | 0.9695 | 0.7632 |
| 2-Hydroxyglutaric M+4 | 0.5987 | 0.3756 | 1.2040 | 2.0226 | NA | 0.3886 | 1.3596 | 1.3400 | NA | 0.1660 | 1.1281 | 0.4908 | NA | NA | NA | 0.3389 | 0.5018 | 0.3074 |
| 2-hydroxyglutaric M+5 | 0.2804 | NA | NA | 1.4495 | NA | NA | NA | 1.5724 | NA | NA | NA | 0.9294 | NA | NA | NA | 0.7683 | NA | NA |
| 2P-Glycerol M+0 | 2.7936 | 4.4019 | 0.2090 | 0.4057 | 0.2737 | 0.2889 | 0.3115 | 0.4378 | 0.4363 | 0.5485 | 1.1680 | 0.9531 | 1.1939 | 1.3185 | 1.1026 | 1.1990 | 1.2567 | 0.9602 |
| 2P-Glycerol M+1 | 2.8167 | 4.6239 | 0.2264 | 0.4224 | 0.1570 | 0.2728 | 0.3136 | 0.4097 | 0.4777 | 0.6389 | 1.1003 | 0.9511 | 1.0446 | 1.3762 | 1.0932 | 1.2194 | 1.1428 | 1.0548 |
| 2P-Glycerol M+2 | 2.8721 | 4.5930 | 0.1834 | 0.4274 | 0.2887 | 0.1399 | 0.2675 | 0.4020 | 0.4391 | 0.4813 | 1.1653 | 0.8786 | 1.2120 | 1.5533 | 1.1269 | 1.2173 | 1.2430 | 0.8879 |
| 2P-Glycerol M+3 | 1.6637 | 2.4856 | 0.6581 | 0.1988 | NA | NA | 1.4462 | 0.1921 | 0.2854 | 0.4154 | 1.8521 | 0.4705 | 0.4466 | 0.8617 | 1.4450 | 0.8169 | 0.9759 | 0.6051 |
| 2-phosphoglycerate M+1 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| 2-phosphoglycerate M+2 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| 2-phosphoglycerate M+3 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| 2-phosphoGlycertate (585,383) | 0.9233 | 1.3754 | NA | 0.7317 | NA | NA | NA | 0.5041 | NA | NA | NA | 0.8931 | NA | 0.8730 | NA | 1.8339 | NA | 0.4428 |
| 3-hydroxybutyrate (275,233) | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| 3-hydroxybutyrate M+1 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| 3-hydroxybutyrate M+2 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| 3-hydroxybutyrate M+3 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| 3-hydroxybutyrate M+4 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| 3-Hydroxy isobutyric (275,260) | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| 3-Hydroxy isobutyric M+1 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| 3-Hydroxy isobutyric M+2 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| 3-Hydroxy isobutyric M+3 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| 3-Hydroxy isobutyric M+4 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| 3P-glycerol M+0 | 2.9846 | 4.5292 | 0.1971 | 0.3993 | 0.2321 | 0.2382 | 0.2470 | 0.4513 | 0.4673 | 0.5311 | 1.0539 | 0.9013 | 1.0626 | 1.1866 | 1.1192 | 1.3960 | 0.9304 | 0.8239 |
| 3P-glycerol M+1 | 3.0037 | 4.6405 | 0.1884 | 0.3756 | 0.2269 | 0.2419 | 0.2586 | 0.3736 | 0.4454 | 0.4919 | 1.0367 | 0.8791 | 1.1737 | 1.1816 | 1.1995 | 1.3932 | 0.9565 | 0.8087 |
| 3P-glycerol M+2 | 2.9961 | 4.6763 | 0.1540 | 0.3323 | 0.2784 | 0.3367 | 0.1853 | 0.4266 | 0.3980 | 0.6105 | 1.0736 | 0.8849 | 1.1755 | 1.2396 | 1.1093 | 1.4445 | 1.0063 | 0.8521 |
| 3P-glycerol M+3 | 2.0292 | 2.7641 | 0.4398 | 0.2149 | NA | 0.0854 | 1.1005 | 0.2349 | 0.0924 | 0.2663 | 1.9160 | 0.5037 | 0.7683 | 0.6822 | 1.7279 | 0.6407 | 0.5305 | 0.4803 |
| 3-phosphoglycerate (585,383) | 0.8356 | 0.7518 | NA | 1.2673 | 0.4879 | 0.6712 | 0.1174 | 0.5380 | 0.9278 | 0.5702 | NA | 1.9048 | 1.3673 | 0.9817 | 0.0245 | 1.4342 | 1.1520 | 0.9113 |
| 3-phosphoglycerate M+1 | 0.7195 | 0.6752 | NA | 1.0979 | 0.3346 | 0.4729 | NA | 0.5079 | 0.8399 | 0.4716 | NA | 1.7516 | 1.3716 | 0.9519 | NA | 1.4470 | 1.0886 | 0.6986 |
| 3-phosphoglycerate M+2 | 0.7088 | 0.8046 | NA | 1.2419 | 0.3101 | 0.4351 | NA | 0.3586 | 0.9453 | 0.3533 | NA | 1.8130 | 1.3229 | 0.8092 | NA | 1.4592 | 0.9063 | 0.7871 |
| 3-phosphoglycerate M+3 | 0.1409 | 0.1340 | 1.1422 | 0.3240 | 0.0846 | NA | 1.1488 | 0.1223 | 0.0907 | NA | 3.6313 | 0.3887 | 0.2076 | 0.2424 | 2.0531 | 0.3113 | 0.1907 | 0.1611 |
| Adenine 2TBDMS | 1.2841 | 1.3217 | 0.9086 | 0.4486 | 0.6957 | 2.4054 | 0.6580 | 0.4082 | 3.9251 | 0.7731 | 2.0165 | 0.3827 | 0.7925 | 1.5900 | 1.1923 | 0.6722 | 0.8552 | 0.7560 |
| Adenine M+1 | 1.2768 | 1.3819 | 0.8336 | 0.4720 | 0.6714 | 2.3629 | 0.6692 | 0.4123 | 3.8162 | 0.8156 | 2.1203 | 0.3716 | 0.7888 | 1.5874 | 1.0980 | 0.6740 | 1.0677 | 0.7969 |
| Adenine M+2 | 1.2246 | 1.1629 | 0.8511 | 0.4607 | 0.5675 | 2.3044 | 0.6928 | 0.3410 | 4.6110 | 0.5235 | 2.2753 | 0.3323 | 0.7055 | 1.4057 | 1.1354 | 0.7159 | 1.0402 | 0.5633 |
| Adenine M+3 | 0.6515 | 0.2484 | NA | 0.1172 | NA | NA | NA | 3.6139 | NA | 1.0919 | NA | NA | NA | 0.2446 | NA | 0.7312 | NA | 0.5393 |
| Adenine M+4 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Adenine M+5 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| aketoglutarate (346,258) | 0.1663 | 0.3242 | 0.9323 | 0.4256 | 1.2466 | 1.1924 | 1.2068 | 0.9794 | 1.4251 | 2.0577 | 1.2710 | 0.8137 | 1.7848 | 2.0620 | 1.2080 | 0.7842 | 1.9691 | 1.7893 |
| aketoglutarate m+1 | 0.2001 | 0.3018 | 0.9222 | 0.5289 | 1.2156 | 1.1410 | 1.1749 | 1.0496 | 1.4110 | 1.8577 | 1.2593 | 0.8023 | 1.6400 | 1.9503 | 1.2053 | 0.7976 | 1.9837 | 1.7383 |
| aketoglutarate m+2 | 0.1607 | 0.2180 | 1.4371 | 0.5794 | 0.8095 | 0.7610 | 1.8216 | 0.8938 | 0.9747 | 1.2754 | 1.4119 | 0.6076 | 1.1846 | 1.3707 | 1.4691 | 0.6168 | 1.2982 | 1.1166 |
| aketoglutarate m+3 | 0.4355 | 0.0622 | 0.6859 | 2.1177 | 0.3504 | 0.2394 | 0.8953 | 2.5279 | 0.3692 | 0.5318 | 0.5914 | 1.1416 | 0.3130 | 0.4670 | 0.6402 | 1.4316 | 0.4285 | 0.3697 |
| aketoglutarate m+4 | 0.3532 | NA | 0.5846 | 1.7589 | 0.1008 | NA | 0.7119 | 2.4910 | 0.0669 | NA | 0.4555 | 1.6215 | 0.0892 | 0.1566 | 0.4518 | 1.8984 | 0.1273 | 0.1516 |
| aketoglutarate m+5 | 0.2475 | NA | 0.0117 | 1.4248 | NA | NA | 0.0078 | 2.4059 | NA | NA | 0.0032 | 2.2722 | NA | 0.0039 | 0.0072 | 2.6216 | NA | NA |
| Alanine (260,232) | 9.0836 | 5.2021 | 0.0491 | 0.0305 | 0.0586 | 0.0817 | 0.1507 | 0.0756 | 0.2040 | 0.1532 | 0.0780 | 0.0549 | 0.1769 | 0.2346 | 0.0582 | 0.0533 | 0.1895 | 0.1637 |
| Alanine m+1 | 8.4911 | 8.1617 | 0.0423 | 0.0239 | 0.0465 | 0.0656 | 0.1270 | 0.0623 | 0.1663 | 0.1247 | 0.0666 | 0.0448 | 0.1433 | 0.1893 | 0.0506 | 0.0441 | 0.1548 | 0.1366 |
| Alanine m+2 | 9.2310 | 4.8617 | 0.0463 | 0.0269 | 0.0499 | 0.0738 | 0.1420 | 0.0693 | 0.1836 | 0.1385 | 0.0831 | 0.0484 | 0.1623 | 0.1971 | 0.0624 | 0.0465 | 0.1671 | 0.1430 |
| Alanine m+3 | 3.2411 | 1.8925 | 0.7414 | 0.0140 | 0.0348 | 0.0298 | 1.9470 | 0.0399 | 0.0676 | 0.0561 | 2.5265 | 0.0296 | 0.0601 | 0.0752 | 2.0917 | 0.0310 | 0.0757 | 0.0594 |
| Aminoadipic 3TBDMS ? | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| aminoadipic M+1 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| aminoadipic M+2 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| aminoadipic M+3 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| aminoadipic M+4 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| aminoadipic M+5 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| aminoadipic M+6 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Asparagine (417,302) | 0.0817 | 0.0783 | 1.0030 | 1.5478 | 1.0865 | 1.1496 | 1.2621 | 1.3905 | 2.3843 | 1.9264 | 1.3599 | 0.9464 | 1.0604 | 1.0303 | 0.6112 | 0.5026 | 0.8766 | 0.5873 |
| Asparagine M+1 | 0.0756 | 0.0867 | 1.0097 | 1.5649 | 1.0455 | 1.1614 | 1.2927 | 1.3690 | 2.3876 | 1.8999 | 1.3546 | 0.9328 | 1.0456 | 1.0348 | 0.6073 | 0.5215 | 0.8571 | 0.5694 |
| Asparagine M+2 | 0.0894 | 0.0638 | 0.9783 | 1.6138 | 1.0371 | 1.0599 | 1.2416 | 1.4031 | 2.3907 | 1.9060 | 1.3675 | 0.9219 | 1.0563 | 1.0208 | 0.6160 | 0.5061 | 0.9398 | 0.5752 |
| Asparagine M+3 | 0.1855 | 0.0369 | 0.9503 | 1.6104 | 0.9733 | 1.0768 | 1.2713 | 1.3792 | 2.3331 | 1.9000 | 1.3559 | 0.8946 | 0.9882 | 1.0284 | 0.6269 | 0.5285 | 0.8977 | 0.5551 |
| Asparagine M+4 | 0.1564 | NA | 0.6050 | 2.9031 | 0.6241 | 0.7672 | 0.8996 | 1.4953 | 1.5337 | 1.2654 | 1.0120 | 1.1505 | 0.8743 | 0.8900 | 0.3231 | 0.5524 | 0.5066 | 0.3054 |
| Asparagine M+5 | 0.4780 | NA | 0.4776 | 3.0829 | NA | 0.1382 | 0.8324 | 1.1682 | 0.6460 | 0.3818 | 0.6734 | 0.7306 | 0.6002 | NA | NA | 0.2369 | NA | NA |
| Asparagine M+6 | NA | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Asparagine M+7 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Aspartic (418,390) | 1.0351 | 1.2273 | 0.6447 | 0.3345 | 0.6172 | 0.7508 | 0.5523 | 0.3023 | 0.9987 | 0.7089 | 2.1277 | 0.7151 | 2.1164 | 2.3465 | 1.7595 | 0.6462 | 2.0422 | 1.7223 |
| Aspartic M+1 | 1.0493 | 1.2321 | 0.6407 | 0.3536 | 0.5976 | 0.7652 | 0.5501 | 0.3074 | 0.9844 | 0.6931 | 2.1074 | 0.7145 | 2.1081 | 2.3716 | 1.7591 | 0.6473 | 2.0046 | 1.7261 |
| Aspartic M+2 | 1.0415 | 1.1288 | 0.6987 | 0.4919 | 0.5467 | 0.7048 | 0.5915 | 0.3866 | 0.9087 | 0.6373 | 2.0406 | 0.7292 | 1.9565 | 2.1839 | 1.7228 | 0.6599 | 1.8840 | 1.5986 |
| Aspartic M+3 | 0.9895 | 0.8983 | 0.6601 | 0.8130 | 0.5006 | 0.5688 | 0.5501 | 0.5876 | 0.7283 | 0.5323 | 1.8804 | 0.9831 | 1.5886 | 1.7567 | 1.5694 | 0.8613 | 1.5486 | 1.2999 |
| Aspartic M+4 | 1.0553 | 0.1947 | 0.1727 | 2.1641 | 0.1030 | 0.1231 | 0.1413 | 1.8609 | 0.1600 | 0.1118 | 0.4329 | 2.3625 | 0.3355 | 0.3856 | 0.3649 | 2.1903 | 0.3217 | 0.2853 |
| Aspartic M+5 | 1.0786 | 0.1087 | 0.1295 | 2.2765 | 0.0587 | 0.0757 | 0.1017 | 1.9573 | 0.1041 | 0.0610 | 0.3355 | 2.4938 | 0.1974 | 0.2175 | 0.2774 | 2.3030 | 0.1964 | 0.1673 |
| b-alanine M+0 | 0.7474 | 0.8692 | 1.4530 | 1.7174 | 1.2701 | 1.5714 | 0.9411 | 0.8307 | 1.1142 | 1.0414 | 1.0549 | 0.8309 | 1.3550 | 1.1532 | 0.6867 | 0.4958 | 0.8854 | 0.7090 |
| b-alanine M+1 | 0.7333 | 0.8663 | 1.4589 | 1.7050 | 1.2884 | 1.5277 | 0.9495 | 0.8099 | 1.1345 | 1.0590 | 1.0570 | 0.8320 | 1.3760 | 1.1832 | 0.6880 | 0.5026 | 0.9111 | 0.7088 |
| b-alanine M+2 | 0.7500 | 0.8783 | 1.4448 | 1.7132 | 1.3046 | 1.5533 | 0.9431 | 0.8123 | 1.1184 | 1.0211 | 1.0804 | 0.8047 | 1.3430 | 1.1728 | 0.6966 | 0.5069 | 0.9010 | 0.6997 |
| b-alanine M+3 | 0.7451 | 0.9019 | 1.4007 | 1.6859 | 1.3300 | 1.7463 | 0.9662 | 0.7909 | 1.1096 | 1.2109 | 1.0758 | 0.8130 | 1.2589 | 1.1603 | 0.6411 | 0.5420 | 1.0197 | 0.6200 |
| b-alanine M+4 | 0.7563 | 1.0133 | 1.5270 | 1.5927 | 1.2050 | 1.4476 | 0.9918 | 0.8752 | 1.0551 | 1.0922 | 1.1287 | 0.8226 | 1.2698 | 1.1430 | 0.6045 | 0.4469 | 1.1231 | 0.6683 |
| Cis-aconitic (459,327) | 0.5833 | 0.8928 | 0.3441 | 0.6850 | 1.1023 | 1.2280 | 0.7410 | 1.8289 | 2.3803 | 3.0484 | 0.5364 | 1.0688 | 1.4265 | 1.6811 | 0.6140 | 1.0663 | 1.8858 | 1.4836 |
| Cis-aconitic M +1 | 1.1537 | 0.8167 | 0.4555 | 0.6599 | 0.7002 | 1.2502 | 0.6496 | 1.7558 | 2.1890 | 2.8826 | 0.3927 | 1.0282 | 1.1214 | 1.6245 | 0.7141 | 0.9454 | 1.5503 | 1.3008 |
| Cis-aconitic M+2 | 0.3400 | 0.3134 | 0.9730 | 0.4724 | 0.5340 | 0.2781 | 2.9861 | 1.0901 | 0.7352 | 1.0236 | 1.3637 | 0.3849 | 0.3377 | 0.7633 | 1.8347 | 0.5066 | 0.5570 | 0.6517 |
| Cis-aconitic M+3 | 0.5059 | NA | 1.2043 | 0.6788 | NA | 0.3207 | 2.2320 | 1.7361 | 0.3476 | 0.7345 | 1.0926 | 0.4685 | 0.1884 | 0.1550 | 1.4239 | 0.7235 | NA | 0.1954 |
| Cis-aconitic M+4 | 0.4829 | NA | 0.2749 | 1.2247 | NA | NA | 1.0027 | 2.7170 | 0.0602 | NA | 0.2610 | 1.1218 | NA | NA | 0.5040 | 1.5728 | 0.0501 | NA |
| Cis-Aconitic M+5 | NA | NA | 0.1844 | 1.1567 | NA | NA | 0.6823 | 2.1061 | NA | NA | 0.3022 | 0.7210 | NA | NA | 0.6859 | 1.5523 | NA | NA |
| Cis-aconitic M+6 | 0.1330 | NA | NA | 0.6622 | NA | NA | NA | 1.5650 | NA | NA | NA | 0.8176 | NA | NA | NA | 1.1719 | NA | NA |
| Citric (459,431) | 0.2576 | 0.4684 | 0.1982 | 0.5807 | 0.7851 | 1.0428 | 0.7882 | 3.2301 | 2.8130 | 4.3929 | 0.3160 | 0.9887 | 0.8119 | 1.4069 | 0.3553 | 0.9585 | 1.0452 | 1.5408 |
| Citric m+1 (460,432) | 0.2940 | 0.4450 | 0.2079 | 0.6560 | 0.7443 | 1.0076 | 0.8086 | 3.2872 | 2.6282 | 4.1308 | 0.3103 | 0.9780 | 0.7724 | 1.3238 | 0.3609 | 0.9557 | 1.0155 | 1.4982 |
| Citric m+2 (461,433) | 0.1543 | 0.1538 | 0.7390 | 0.4711 | 0.2678 | 0.3327 | 3.6385 | 1.8379 | 0.9127 | 1.3685 | 1.0792 | 0.4364 | 0.2566 | 0.4422 | 1.2852 | 0.4639 | 0.3454 | 0.4977 |
| Citric m+3 (462,434) | 0.1969 | 0.0881 | 0.6380 | 0.7613 | 0.1553 | 0.1992 | 3.0810 | 2.5479 | 0.5342 | 0.8144 | 0.8840 | 0.6564 | 0.1627 | 0.2674 | 1.0796 | 0.7233 | 0.2036 | 0.3023 |
| Citric m+4 (463,435) | 0.2501 | 0.0124 | 0.2586 | 1.2103 | 0.0293 | 0.0281 | 1.2223 | 4.8055 | 0.0846 | 0.1211 | 0.3156 | 1.1847 | 0.0251 | 0.0420 | 0.3971 | 1.4997 | 0.0316 | 0.0507 |
| Citric m+5 (464,436) | 0.2500 | 0.0034 | 0.1696 | 1.3030 | 0.0098 | 0.0134 | 0.7991 | 4.8108 | 0.0401 | 0.0581 | 0.2563 | 1.5314 | 0.0067 | 0.0172 | 0.3269 | 1.7587 | 0.0084 | 0.0196 |
| Citric m+6 (465, 437) | 0.2348 | NA | 0.1176 | 1.2842 | NA | NA | 0.5843 | 4.6234 | 0.0141 | 0.0200 | 0.1891 | 1.3489 | NA | 0.0145 | 0.2274 | 1.6246 | 0.0020 | 0.0125 |
| Creatinine (284,341) | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Creatinine M+1 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Creatinine M+2 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Creatinine M+3 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Cysteine (406,378) | 1.0362 | 0.9228 | 0.6868 | 0.6410 | 0.6293 | 1.3979 | 0.7949 | 0.7582 | 1.1733 | 1.9021 | 0.9390 | 1.1325 | 0.8763 | 3.0348 | 0.3203 | 0.6278 | 4.6753 | 2.6410 |
| Cysteine M+1 | 1.0272 | 0.8805 | 0.6889 | 0.6662 | 0.6012 | 1.3776 | 0.8091 | 0.8074 | 1.0956 | 1.8892 | 0.9302 | 1.1318 | 0.8363 | 3.0452 | 0.3240 | 0.6382 | 4.5875 | 2.5946 |
| Cysteine M+2 | 1.0041 | 0.8871 | 0.6792 | 0.7070 | 0.6066 | 1.4279 | 0.7789 | 0.7566 | 1.2298 | 1.7629 | 0.9516 | 1.1300 | 0.8396 | 2.9390 | 0.3404 | 0.6285 | 4.8108 | 2.5915 |
| Cysteine M+3 | 1.0481 | 0.8391 | 0.6954 | 0.6839 | 0.5697 | 1.3877 | 0.8304 | 0.7453 | 1.1114 | 1.8492 | 0.8684 | 1.1975 | 0.8654 | 2.8904 | 0.3341 | 0.6039 | 4.5371 | 2.9218 |
| Cysteine M+4 | 1.1138 | 1.0094 | 0.6491 | 0.5410 | 0.4557 | 1.3495 | 0.9537 | 0.6234 | 1.3107 | 1.9440 | 1.0142 | 1.0441 | 0.9732 | 3.3685 | 0.1709 | 0.5761 | 4.1968 | 2.7722 |
| Cytosine M+0 1TBDMS | 0.3286 | 0.2178 | 0.9730 | 1.0170 | 0.9518 | 0.8585 | 0.6259 | 1.6470 | 0.9323 | 1.9542 | 0.8048 | 1.3052 | 0.8940 | 2.3511 | 0.9891 | 0.9917 | 0.6427 | 1.4680 |
| Cytosine M+0 2TBDMS | 1.0578 | 0.9191 | 0.8645 | 1.0462 | 0.6781 | 2.3928 | 0.7303 | 0.9022 | 2.8680 | 1.3581 | 1.4679 | 0.6573 | 0.8026 | 1.5662 | 0.8308 | 0.7149 | 0.5128 | 0.8150 |
| Cytosine M+1 1TBDMS | NA | NA | 1.1646 | NA | 1.4343 | NA | 0.8277 | NA | 0.3516 | NA | 0.9904 | NA | 1.0739 | NA | 1.2756 | NA | 0.1068 | NA |
| Cytosine M+1 2TBDMS | 0.3857 | 0.2914 | 0.3223 | 0.4367 | 0.3198 | 0.6379 | 0.4361 | 0.2856 | 0.9766 | 0.4257 | 6.0932 | 1.3789 | 0.7816 | 0.9545 | 0.3197 | 0.2570 | 0.6028 | 0.3486 |
| Cytosine M+2 1TBDMS | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Cytosine M+2 2TBDMS | 0.3668 | 0.4437 | 0.9052 | 0.4104 | 0.6165 | 0.9048 | 1.5357 | 0.3645 | 1.4665 | 0.8448 | 3.4260 | 0.6999 | 1.3261 | 1.2798 | 1.0200 | 0.2364 | 1.3358 | 0.9224 |
| Cytosine M+3 1TBDMS | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Cytosine M+3 2TBDMS | 0.5423 | 1.4964 | NA | NA | NA | NA | NA | 0.7363 | NA | NA | NA | 1.2891 | NA | 1.7052 | NA | NA | NA | NA |
| Cytosine M+4 1TBDMS | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Cytosine M+4 2TBDMS | 0.3228 | 0.6525 | 1.3332 | 0.3437 | 0.9770 | 1.0873 | 2.2420 | 0.3579 | 1.6903 | 1.1754 | 1.9429 | 0.3338 | 1.2523 | 1.1868 | 1.3996 | 0.2927 | 1.7784 | 0.9256 |
| DHAP 1/2 (484,452,383) | 1.0823 | 1.7335 | 0.0568 | 1.1784 | 1.0647 | 1.5627 | 0.0642 | 1.3758 | 2.1756 | 2.3410 | 0.0668 | 1.4172 | 0.9822 | 2.6994 | 0.0443 | 1.2789 | 3.2555 | 2.9265 |
| DHAP 1/2 M+1 | 1.0431 | 1.6032 | 0.0546 | 1.1842 | 1.0186 | 1.5657 | 0.0613 | 1.3428 | 2.1631 | 2.2643 | 0.0990 | 1.3951 | 0.9440 | 2.6383 | 0.0414 | 1.2648 | 3.1215 | 2.8350 |
| DHAP 1/2 M+2 | 1.0395 | 1.6330 | 0.1133 | 1.1872 | 0.9575 | 1.6101 | 0.1158 | 1.3776 | 2.1544 | 2.3263 | 0.1359 | 1.3494 | 1.0003 | 2.8059 | 0.0999 | 1.2532 | 3.0849 | 2.7405 |
| DHAP 1/2 M+3 | 0.1052 | 0.1571 | 2.3983 | 0.1259 | 0.1551 | 0.1468 | 2.4769 | 0.1506 | 0.2253 | 0.2358 | 2.9338 | 0.1451 | 0.1176 | 0.3243 | 2.2827 | 0.1302 | 0.3351 | 0.3077 |
| DHAP 2/2 (484,452,383) | 1.0592 | 1.7504 | 0.0512 | 1.1477 | 0.9463 | 1.4704 | 0.0591 | 1.3916 | 2.1785 | 2.4306 | 0.0566 | 1.4453 | 1.0352 | 2.7248 | 0.0407 | 1.2956 | 3.1826 | 3.0936 |
| DHAP 2/2 M+1 | 1.0430 | 1.5724 | 0.0675 | 1.0848 | 0.9420 | 1.3968 | 0.0500 | 1.3098 | 2.0292 | 2.4261 | 0.0870 | 1.3728 | 0.9369 | 2.6983 | 0.0426 | 1.2471 | 3.0307 | 2.9037 |
| DHAP 2/2 M+2 | 0.9771 | 1.5601 | 0.1294 | 1.0115 | 0.7957 | 1.3689 | 0.1095 | 1.2168 | 1.9821 | 2.2305 | 0.1490 | 1.2390 | 0.8022 | 2.5146 | 0.1121 | 1.2154 | 2.7679 | 2.8389 |
| DHAP 2/2 M+3 | 0.1257 | 0.1954 | 2.3490 | 0.1300 | 0.1743 | 0.1725 | 2.4152 | 0.1485 | 0.2635 | 0.2618 | 2.9228 | 0.1579 | 0.1176 | 0.2819 | 2.3164 | 0.1451 | 0.3569 | 0.3340 |
| Ethanolamine (232,144) | 2.3199 | 2.7877 | 0.6299 | 0.9123 | 0.3584 | 1.1106 | 0.4104 | 0.3783 | 0.4640 | 0.5179 | 1.2263 | 0.9459 | 0.7529 | 0.9894 | 1.0839 | 1.1372 | 0.9765 | 0.8665 |
| EThanolamine M+1 | 2.6511 | 3.3609 | 0.1758 | 1.1887 | 0.0903 | 1.6589 | 0.1869 | 0.4591 | 0.4427 | 0.8589 | 0.6319 | 1.4140 | 0.2183 | 1.1231 | 0.4578 | 1.4520 | 0.3279 | 0.8236 |
| Ethanolamine M+2 | 1.3840 | 1.8873 | 0.9814 | 0.4691 | 0.7873 | 0.5595 | 0.6115 | 0.1910 | 0.7422 | 0.1237 | 2.0226 | 0.5898 | 1.2103 | 0.9026 | 1.5449 | 0.5925 | 1.6062 | 0.6762 |
| Fumaric (287,329) | 0.2539 | 0.3190 | 1.0915 | 0.6080 | 1.1274 | 1.0928 | 1.6473 | 0.9679 | 2.3319 | 1.4869 | 1.1558 | 0.7675 | 1.5643 | 1.1738 | 1.0597 | 0.6992 | 1.7929 | 1.1074 |
| Fumaric M+1 | 0.2516 | 0.2922 | 1.0720 | 0.7165 | 1.1477 | 1.0825 | 1.6139 | 1.0387 | 2.2174 | 1.4881 | 1.1037 | 0.7670 | 1.4962 | 1.1234 | 1.0308 | 0.7188 | 1.7240 | 1.1768 |
| Fumaric M+2 | 0.2423 | 0.2123 | 1.2331 | 1.2694 | 0.8161 | 0.7186 | 1.8298 | 1.3376 | 1.5448 | 1.0080 | 0.9487 | 0.7406 | 1.0342 | 0.8129 | 0.9173 | 0.7148 | 1.1852 | 0.7336 |
| Fumaric M+3 | 0.1394 | 0.0693 | 0.8387 | 1.9311 | 0.3780 | 0.3963 | 1.1714 | 1.9545 | 0.6862 | 0.4812 | 0.7956 | 1.3642 | 0.4954 | 0.4114 | 0.7511 | 1.3607 | 0.5523 | 0.3035 |
| Fumaric M+4 | 0.1577 | 0.0028 | 0.0952 | 2.7496 | 0.0183 | NA | 0.1234 | 3.3213 | 0.0481 | 0.0259 | 0.0569 | 1.9370 | 0.0202 | 0.0149 | 0.0461 | 2.2436 | 0.0148 | 0.0272 |
| GABA M+0 | 1.0605 | 1.0935 | 1.4110 | 1.5302 | 1.2252 | 1.4875 | 1.2520 | 1.0741 | 1.4401 | 1.2158 | 0.7634 | 0.5840 | 0.8463 | 0.7909 | 0.6904 | 0.4890 | 0.8641 | 0.6181 |
| GABA M+1 | 1.0681 | 1.1595 | 1.4149 | 1.4903 | 1.2117 | 1.4528 | 1.2533 | 1.0615 | 1.4900 | 1.2004 | 0.7663 | 0.5833 | 0.8328 | 0.8005 | 0.7056 | 0.5008 | 0.8784 | 0.5974 |
| GABA M+2 | 1.1069 | 1.1442 | 1.3963 | 1.4260 | 1.2217 | 1.5747 | 1.2201 | 1.1106 | 1.3437 | 1.2701 | 0.8164 | 0.5961 | 0.8201 | 0.7242 | 0.6848 | 0.4819 | 0.8926 | 0.6523 |
| GABA M+3 | 1.1021 | 1.1353 | 1.3843 | 1.6083 | 1.3632 | 1.3045 | 1.2636 | 1.0089 | 1.7316 | 1.0955 | 0.7653 | 0.5641 | 0.7758 | 0.8315 | 0.6670 | 0.4488 | 0.8783 | 0.6346 |
| GABA M+4 | 1.0780 | 0.6413 | 1.5130 | 1.6514 | 0.9327 | 1.1721 | 1.1799 | 1.1116 | 1.4763 | 0.8639 | 1.2217 | 0.3548 | 0.3710 | 0.6602 | 0.3405 | 0.5626 | 0.2937 | NA |
| Glucose 2 M | 1.1707 | 0.5734 | 0.0391 | 0.7297 | 0.2282 | 0.5656 | 0.1334 | 0.5435 | 0.8276 | 2.8352 | 0.1010 | 0.6251 | 1.3547 | 1.3347 | 0.1622 | 0.5249 | 16.6372 | 2.6029 |
| Glucose 2 M+1 | 1.1276 | 0.6408 | 0.0667 | 0.6717 | 0.2530 | 0.5747 | 0.2761 | 0.5362 | 0.8387 | 2.8331 | 0.0774 | 0.5488 | 1.5554 | 0.9807 | 0.3362 | 0.3483 | 13.8322 | 2.5633 |
| Glucose 2 M+2 | 0.9499 | 0.5541 | NA | 0.5281 | 0.1602 | 0.6332 | 0.4781 | 0.3836 | 0.5956 | 2.3656 | 0.1247 | 0.5660 | 1.0880 | 0.9212 | 0.2738 | 0.2318 | 15.6694 | 2.4278 |
| Glucose 2 M+3 | 0.4827 | NA | NA | 0.4744 | NA | NA | NA | 0.2840 | 0.5491 | 1.6021 | NA | 0.3092 | 0.2621 | 0.6599 | 0.2584 | 0.5434 | 10.7715 | 1.1157 |
| Glucose 2 M+4 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.1538 | NA | NA | NA | 1.8462 | NA |
| Glucose 2 M+5 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.1740 | NA | 0.8260 | NA |
| Glucose 2 M+6 | NA | NA | 0.5920 | NA | NA | NA | 1.0456 | NA | NA | NA | 1.1010 | NA | NA | NA | 1.2614 | NA | NA | NA |
| Glucose 3 M+0 | 2.6474 | 2.4054 | 0.0416 | 0.4538 | 0.1963 | 0.2481 | 0.0910 | 0.4640 | 0.4409 | 2.6741 | 0.0902 | 0.6015 | 1.4713 | 1.2428 | 0.2929 | 0.9794 | 8.5801 | 2.4702 |
| Glucose 3 M+1 | 2.3910 | 2.2538 | 0.0350 | 0.4613 | 0.1730 | 0.2263 | 0.2573 | 0.4740 | 0.4961 | 2.4122 | 0.1013 | 0.5714 | 1.2081 | 1.0694 | 0.3246 | 0.8334 | 7.1459 | 2.1963 |
| Glucose 3 M+2 | 2.3283 | 1.8237 | NA | 0.3597 | 0.0843 | 0.2567 | 0.1359 | 0.4102 | 0.4853 | 2.5872 | 0.0600 | 0.5119 | 1.2227 | 1.1921 | 0.1440 | 0.8870 | 8.0367 | 2.4311 |
| Glucose 3 M+3 | 1.7826 | 1.9729 | NA | 0.3883 | NA | NA | NA | 0.1874 | 0.3623 | 1.8240 | NA | 0.3411 | 0.8087 | 0.8319 | 0.1705 | 0.6178 | 3.9674 | 2.1152 |
| Glucose 3 M+4 | 1.4384 | 0.7633 | NA | NA | NA | NA | NA | NA | NA | 0.9366 | NA | NA | 0.2513 | 0.1169 | NA | NA | 2.4445 | 0.6106 |
| Glucose 3 M+5 | 0.7108 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.5135 | NA | 1.0649 | NA |
| Glucose 3 M+6 | NA | NA | 0.4691 | NA | NA | NA | 0.5295 | NA | NA | NA | 0.7324 | NA | NA | NA | 2.2690 | NA | NA | NA |
| Glutamic (432,330) | NA | NA | 0.7806 | NA | 1.0413 | NA | 0.9983 | NA | 1.3356 | NA | 1.0853 | NA | 1.1276 | NA | 0.9579 | NA | 1.2074 | NA |
| Glutamic m+1 | NA | NA | 0.7835 | NA | 1.0389 | NA | 1.0022 | NA | 1.3352 | NA | 1.0837 | NA | 1.1209 | NA | 0.9547 | NA | 1.2082 | NA |
| Glutamic m+2 | NA | NA | 0.9623 | NA | 0.7044 | NA | 1.2066 | NA | 0.8973 | NA | 1.0512 | NA | 0.7532 | NA | 0.9898 | NA | 0.8057 | NA |
| Glutamic m+3 | NA | NA | 1.0283 | NA | 0.6044 | NA | 1.2655 | NA | 0.7636 | NA | 1.0358 | NA | 0.6533 | NA | 0.9945 | NA | 0.6823 | NA |
| Glutamic m+4 | NA | NA | 1.1456 | NA | 0.4082 | NA | 1.3856 | NA | 0.4963 | NA | 0.9987 | NA | 0.4197 | NA | 1.0269 | NA | 0.4484 | NA |
| Glutamic m+5 | NA | NA | 1.1931 | NA | 0.2929 | NA | 1.4216 | NA | 0.3630 | NA | 0.9876 | NA | 0.3230 | NA | 1.0667 | NA | 0.3451 | NA |
| Glutamic M+6 | NA | NA | 1.2700 | NA | 0.1992 | NA | 1.4832 | NA | 0.2219 | NA | 0.9677 | NA | 0.1236 | NA | 1.0896 | NA | 0.2134 | NA |
| Glutamine (431,329) | 0.0087 | 0.0216 | 1.2372 | 0.0876 | 1.6456 | 2.1989 | 2.1657 | 0.1379 | 5.0030 | 4.1605 | 1.4724 | 0.0446 | 2.3047 | 2.3519 | 0.8462 | 0.0258 | 2.0643 | 1.1449 |
| Glutamine M+1 | 0.0100 | 0.0225 | 1.2369 | 0.0880 | 1.6510 | 2.1892 | 2.1636 | 0.1396 | 5.0026 | 4.2786 | 1.4561 | 0.0464 | 2.3017 | 2.3370 | 0.8409 | 0.0275 | 2.0513 | 1.1309 |
| Glutamine M+2 | 0.0098 | 0.0227 | 1.2342 | 0.0941 | 1.6394 | 2.1827 | 2.1661 | 0.1499 | 5.0048 | 4.2895 | 1.4454 | 0.0499 | 2.3276 | 2.3509 | 0.8287 | 0.0289 | 2.0290 | 1.1255 |
| Glutamine M+3 | 0.0096 | 0.0189 | 1.1263 | 0.4393 | 1.4775 | 1.9786 | 1.9716 | 0.5543 | 4.4801 | 3.9091 | 1.3159 | 0.2072 | 2.1138 | 2.1259 | 0.7429 | 0.1412 | 1.8216 | 1.0419 |
| Glutamine M+4 | 0.0271 | 0.0046 | 0.1800 | 3.0981 | 0.2346 | 0.3043 | 0.3363 | 3.6630 | 0.6910 | 0.6180 | 0.2095 | 1.7387 | 0.3291 | 0.3192 | 0.1198 | 1.1393 | 0.2942 | 0.1579 |
| Glutamine M+5 | 0.0323 | 0.0010 | 0.0017 | 3.5774 | 0.0021 | 0.0075 | 0.0195 | 4.2123 | 0.0065 | 0.0076 | 0.0021 | 2.0239 | 0.0030 | 0.0056 | 0.0013 | 1.3696 | 0.0029 | 0.0031 |
| Glutamine M+6 | 0.0309 | 0.0010 | 0.0011 | 3.5433 | 0.0009 | 0.0059 | 0.0175 | 4.1169 | 0.0035 | 0.0052 | 0.0012 | 1.9784 | 0.0020 | 0.0046 | 0.0009 | 1.3030 | 0.0020 | 0.0027 |
| Glutamine M+7 | 0.0278 | 0.0006 | 0.0007 | 3.0766 | NA | 0.0053 | 0.0133 | 3.5525 | 0.0009 | 0.0024 | 0.0004 | 1.6971 | 0.0003 | 0.0040 | 0.0004 | 1.1280 | 0.0007 | 0.0018 |
| Glyceraldehyde-3P (484,457,425) | 0.9518 | 0.9187 | 0.0275 | 1.7354 | 0.9501 | 1.3065 | 0.0419 | 1.0632 | 1.6275 | 1.3212 | 0.2498 | 2.1541 | 1.7827 | 1.6952 | 0.0501 | 1.3742 | 2.3300 | 1.5033 |
| Glyceraldehyde-3P M+1 | 0.8913 | 0.6901 | 0.1859 | 1.5969 | 0.6917 | 1.2210 | 0.1750 | 0.9962 | 1.3893 | 1.4508 | 0.8944 | 1.9858 | 1.4038 | 1.3715 | 0.2660 | 1.1922 | 1.9336 | 1.2994 |
| Glyceraldehyde-3P M+2 | 0.8040 | 0.7833 | 0.1626 | 1.6337 | 0.4314 | 0.9129 | 0.1732 | 0.9344 | 1.3060 | 1.1820 | 0.9821 | 1.8177 | 1.6204 | 1.5943 | 0.2548 | 1.1140 | 2.0488 | 1.1949 |
| Glyceraldehyde-3P M+3 | 0.0370 | 0.0218 | 1.0240 | 0.0836 | 0.0363 | 0.0286 | 1.1823 | 0.0387 | 0.0456 | 0.0208 | 5.6195 | 0.1059 | 0.0720 | 0.0942 | 1.5799 | 0.0556 | 0.0981 | 0.0365 |
| Glycerol M+0 | 1.2423 | 2.6703 | 0.3062 | 0.2656 | NA | 0.1580 | 1.0853 | 1.2297 | 0.7698 | 3.2109 | 0.7075 | 0.6622 | 1.8539 | 1.1050 | 1.0985 | 1.2540 | 1.3195 | 1.5080 |
| Glycerol M+1 | 1.2228 | 2.4181 | 0.4361 | 0.2606 | NA | NA | 1.0928 | 1.0373 | 1.0676 | 2.7581 | 0.4775 | 0.5457 | 1.8957 | 1.1705 | 1.0708 | 0.9111 | 1.1332 | 1.2769 |
| Glycerol M+2 | 1.0110 | 2.4912 | NA | NA | NA | NA | 0.6666 | 1.1054 | 0.3993 | 2.2000 | 0.6981 | 0.4558 | 1.3622 | 0.8597 | 1.2030 | 0.9119 | 1.2252 | 0.6890 |
| Glycerol M+3 | NA | NA | NA | NA | NA | NA | 1.9921 | NA | NA | 0.2666 | 0.4206 | NA | NA | NA | 0.7707 | NA | NA | NA |
| Glycine (246,218) | 0.7017 | 0.8694 | 0.9755 | 1.3595 | 0.8663 | 1.4065 | 1.1038 | 1.1590 | 1.5985 | 1.2976 | 1.0735 | 0.8857 | 0.9784 | 1.0879 | 0.8241 | 0.7089 | 0.9118 | 0.8167 |
| Glycine m+1 | 0.7011 | 0.8687 | 0.9729 | 1.3659 | 0.8589 | 1.4243 | 1.1041 | 1.1630 | 1.6061 | 1.2915 | 1.0763 | 0.8849 | 0.9803 | 1.0868 | 0.8227 | 0.6996 | 0.9041 | 0.8169 |
| Glycine m+2 | 0.6817 | 0.8500 | 1.0547 | 1.3149 | 0.8232 | 1.4076 | 1.1363 | 1.1211 | 1.5540 | 1.2530 | 1.1527 | 0.8498 | 0.9372 | 1.0522 | 0.8760 | 0.6779 | 0.8811 | 0.7813 |
| Glycolic Acid (247,189) ? | 0.9760 | 0.4834 | 0.4641 | 1.5547 | 0.4067 | 0.4432 | 0.6427 | 1.6102 | 0.8255 | 0.7045 | 0.6038 | 1.7848 | 0.7265 | 0.6400 | 0.5516 | 1.6126 | 0.8819 | 0.6866 |
| Glycolic M+1 | 0.8855 | 0.4853 | 0.4267 | 1.6573 | 0.4288 | 0.5921 | 0.6876 | 1.7604 | 0.7580 | 0.6312 | 0.5677 | 1.7845 | 0.5967 | 0.4089 | 0.5071 | 1.6273 | 0.9395 | 0.5429 |
| Glycolic M+2 | 0.5893 | 0.3341 | 0.9261 | 1.0614 | 0.2345 | 0.2793 | 1.3341 | 1.2012 | 0.5477 | 0.4280 | 1.3062 | 1.2963 | 0.3718 | 0.4128 | 1.1315 | 1.4574 | 0.7753 | 0.4029 |
| Histidine (440,338) | 0.7842 | 0.6593 | 0.6217 | 0.8125 | 0.6906 | 1.1077 | 0.9749 | 0.7478 | 2.0135 | 1.5359 | 1.4544 | 0.8801 | 1.2877 | 1.6447 | 1.0913 | 0.8096 | 1.8857 | 1.4693 |
| Histidine M+1 | 0.7652 | 0.6371 | 0.5609 | 0.8096 | 0.4714 | 1.1063 | 0.9671 | 0.7578 | 2.0333 | 1.7019 | 1.4692 | 0.8238 | 1.4430 | 1.9630 | 0.9852 | 0.8073 | 2.3300 | 1.5293 |
| Histidine M+2 | 0.8284 | 0.3077 | 0.5531 | 0.7240 | 0.7011 | 0.8125 | 0.8888 | 0.7617 | 2.1939 | 1.7584 | 1.5175 | 0.8871 | 1.3081 | 1.8765 | 1.0351 | 0.8481 | 2.2392 | 1.6273 |
| Histidine M+3 | 0.5755 | NA | 0.9377 | 0.6088 | 0.2742 | NA | 2.7563 | 0.8021 | 0.2331 | 1.8119 | 1.1553 | 0.6797 | 0.5314 | 1.3351 | 0.9139 | 0.4713 | 0.7585 | 2.4536 |
| Histidine M+4 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Histidine M+5 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Histidine M+6 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Histidine M+7 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Histidine M+8 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Homocysteine (420,392) | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Homocysteine M+1 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Homocysteine M+2 | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Homocysteine M+3 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Homocysteine M+4 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Hydroxyproline (416,388) | 0.5813 | 1.0954 | 0.4384 | 0.6464 | 0.3326 | 0.3578 | 0.8213 | 0.8582 | 1.4462 | 2.3798 | 1.4542 | 1.0391 | 2.4669 | 1.2914 | 1.0831 | 1.2800 | 1.8879 | 0.9348 |
| Hydroxyproline M+1 | 0.5498 | 1.0892 | 0.4117 | 0.6257 | 0.2881 | 0.4200 | 0.8711 | 0.8719 | 1.6109 | 2.2932 | 1.4591 | 1.0090 | 2.4748 | 1.2049 | 1.0603 | 1.3312 | 1.9784 | 0.8817 |
| Hydroxyproline M+2 | 0.5633 | 1.2645 | 0.4829 | 0.6431 | 0.3581 | 0.4150 | 0.8824 | 0.8925 | 1.2123 | 2.3151 | 1.4335 | 0.9367 | 2.5620 | 1.4765 | 1.0425 | 1.2751 | 1.9960 | 0.7919 |
| Hydroxyproline M+3 | 0.4457 | 0.8396 | 0.4653 | 0.3508 | 0.1207 | NA | 0.7927 | 0.7268 | 1.1242 | 2.2341 | 1.7895 | 0.6938 | 3.0423 | 1.4203 | 1.1842 | 1.5250 | 1.3919 | 0.7184 |
| Hydroxyproline M+4 | NA | NA | NA | NA | NA | NA | 0.7937 | NA | 0.7184 | NA | 1.4331 | NA | NA | NA | 0.9140 | NA | NA | NA |
| Hydroxyproline M+5 | NA | NA | 0.6160 | NA | NA | NA | 0.4664 | NA | NA | NA | 1.4356 | NA | NA | NA | 1.3859 | NA | NA | NA |
| Hydroxyproline M+6 | NA | NA | 0.4243 | NA | NA | NA | 0.4225 | NA | NA | NA | 1.5854 | NA | NA | NA | 1.2795 | NA | NA | NA |
| Hypotaruine (280,158) | 0.5161 | 0.5785 | 0.3985 | 0.4733 | 0.3002 | 0.4376 | 0.6657 | 0.5805 | 1.0713 | 0.7609 | 2.1934 | 1.5751 | 2.0191 | 1.7822 | 1.3344 | 1.1281 | 1.5448 | 1.0449 |
| Hypotaurine M+1 | 0.5585 | 0.6079 | 0.4157 | 0.5048 | 0.4198 | 0.5249 | 0.7069 | 0.6432 | 1.0427 | 0.8285 | 2.0418 | 1.5245 | 2.1240 | 1.8266 | 1.2718 | 1.1228 | 1.3995 | 1.0660 |
| Hypotaurine M+2 | 0.5100 | 0.5702 | 0.4651 | 0.4889 | 0.3508 | 0.4230 | 0.6545 | 0.6156 | 1.0363 | 0.6910 | 2.0848 | 1.6073 | 2.0045 | 2.1878 | 1.2878 | 1.0874 | 1.5830 | 0.9486 |
| Hypoxanthine M+0 | 0.6071 | 0.5105 | 0.9284 | 0.9086 | 1.1316 | 0.7396 | 1.4665 | 1.2611 | 1.6610 | 1.0241 | 0.8374 | 0.7607 | 1.3576 | 0.7513 | 1.3532 | 0.7094 | 1.6762 | 0.8187 |
| Hypoxanthine M+1 | 0.5530 | 0.3152 | 0.9556 | 0.9001 | 1.2120 | 1.1154 | 1.4042 | 1.4043 | 1.1336 | 0.6482 | 0.6172 | 0.7882 | 1.1398 | 0.3841 | 1.4363 | 0.9920 | 1.6118 | 0.7896 |
| Hypoxanthine M+2 | 0.6306 | NA | 0.9393 | 0.9660 | 1.4580 | 0.7013 | 1.4667 | 0.8527 | 1.7077 | 1.0962 | 1.1832 | 0.6647 | 0.5299 | 0.4908 | 1.1965 | 0.5834 | 1.4245 | 0.4437 |
| Hypoxanthine M+3 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0182 | NA | NA | NA | NA | 0.9818 | NA | NA |
| Hypoxanthine M+4 | 0.9524 | NA | NA | NA | NA | 0.8157 | NA | 1.2319 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Hypoxanthine M+5 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Isocitric (459,431) | 0.5316 | 0.6693 | 0.3331 | 0.3970 | 0.9945 | 1.0156 | 0.8571 | 1.7871 | 2.8889 | 2.8997 | 0.5716 | 0.9901 | 1.4046 | 1.8368 | 0.5253 | 1.1700 | 2.0780 | 1.8936 |
| Isocitric m+1 (460,432) | 0.3301 | 0.3526 | 3.7544 | 0.3288 | 0.6087 | 0.4980 | 0.5389 | 1.4261 | 2.2001 | 2.0081 | 0.2257 | 0.7062 | 0.9275 | 1.2697 | 0.3913 | 0.8733 | 1.3928 | 1.4436 |
| Isocitric m+2 (461,433) | 0.0905 | 0.0422 | 0.6549 | 0.3120 | 0.1271 | 0.1679 | 3.3795 | 0.9829 | 0.9856 | 0.9383 | 1.5263 | 0.3001 | 0.4857 | 0.2889 | 1.7914 | 0.4815 | 0.5115 | 0.6479 |
| Isocitric m+3 (462,434) | 0.3799 | NA | 0.4675 | 0.4716 | 0.0973 | NA | 2.5892 | 1.7601 | 0.2539 | 0.1828 | 1.0064 | 0.7456 | NA | 0.1416 | 1.5113 | 1.0072 | 0.1816 | 0.3269 |
| Isocitric m+4 (463,435) | 0.2216 | NA | NA | 0.6311 | NA | NA | NA | 1.8255 | NA | NA | NA | 0.8025 | NA | NA | NA | 1.3247 | NA | NA |
| Isocitric m+5 (464,436) | 0.3377 | NA | NA | 0.5114 | NA | NA | NA | 1.5916 | NA | NA | NA | 0.9495 | NA | NA | NA | 1.2787 | NA | NA |
| Isocitric m+6 (465, 437) | 0.5695 | NA | NA | 0.3720 | NA | NA | NA | 1.1363 | NA | NA | NA | 0.9661 | NA | 0.2837 | NA | 1.6897 | NA | 1.0959 |
| Isoleucine (302,274) | 0.1859 | 0.2045 | 0.5400 | 0.6108 | 0.5351 | 0.6679 | 1.6847 | 1.1695 | 1.6373 | 1.7931 | 1.3951 | 0.8823 | 1.6993 | 1.6174 | 1.2103 | 0.6652 | 2.1260 | 1.3446 |
| Isoleucine M+1 | 0.1827 | 0.2081 | 0.5444 | 0.6050 | 0.5308 | 0.6604 | 1.6950 | 1.1536 | 1.6598 | 1.7991 | 1.4000 | 0.8748 | 1.7127 | 1.6284 | 1.2086 | 0.6664 | 2.1332 | 1.3457 |
| Isoleucine M+2 | 0.1911 | 0.2139 | 0.5330 | 0.6045 | 0.5329 | 0.6622 | 1.6983 | 1.1540 | 1.6485 | 1.7940 | 1.3962 | 0.8771 | 1.7104 | 1.6401 | 1.2061 | 0.6701 | 2.1371 | 1.3391 |
| Isoleucine M+3 | 0.2076 | 0.2046 | 0.5467 | 0.5970 | 0.5203 | 0.6763 | 1.6819 | 1.1579 | 1.6477 | 1.7655 | 1.4089 | 0.8955 | 1.6752 | 1.5620 | 1.2156 | 0.6778 | 2.0716 | 1.3210 |
| Isoleucine M+4 | 0.2149 | 0.2617 | 0.5268 | 0.6219 | 0.5129 | 0.7048 | 1.6349 | 1.1371 | 1.5309 | 1.7290 | 1.4453 | 0.8809 | 1.6205 | 1.6877 | 1.1971 | 0.6880 | 2.2764 | 1.2881 |
| Isoleucine M+5 | NA | NA | 0.8310 | 0.4191 | 0.2964 | NA | 1.5600 | 0.9342 | 1.5315 | 1.6520 | 1.2603 | 0.5972 | 1.2291 | 1.2590 | 1.0974 | 0.3617 | 2.1613 | 1.1272 |
| Isoleucine M+6 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Isoleucine M+7 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Lactic (261,233) | 1.2255 | 1.2924 | 0.0971 | 1.4295 | 1.3285 | 1.4486 | 0.1466 | 2.1261 | 1.9127 | 1.6600 | 0.0830 | 1.1725 | 1.5639 | 1.2147 | 0.0948 | 1.4921 | 1.8539 | 1.2562 |
| Lactic M+1 | 1.2159 | 1.2911 | 0.1151 | 1.4264 | 1.2993 | 1.4406 | 0.1650 | 2.1217 | 1.8761 | 1.6585 | 0.0976 | 1.1697 | 1.5572 | 1.1977 | 0.1155 | 1.4826 | 1.8016 | 1.2399 |
| Lactic M+2 | 1.1478 | 1.2246 | 0.2340 | 1.3619 | 1.2199 | 1.3684 | 0.3375 | 2.0220 | 1.7759 | 1.5883 | 0.2079 | 1.1088 | 1.4698 | 1.1478 | 0.2560 | 1.4038 | 1.7049 | 1.1820 |
| Lactic M+3 | 0.0352 | 0.0367 | 2.3003 | 0.0573 | 0.0952 | 0.0411 | 3.5327 | 0.0810 | 0.0533 | 0.0475 | 2.2856 | 0.0397 | 0.0446 | 0.0342 | 2.7549 | 0.0532 | 0.0524 | 0.0355 |
| Leucine (302,274) | 0.1915 | 0.1955 | 0.5507 | 0.6448 | 0.5177 | 0.6346 | 1.6871 | 1.2175 | 1.6081 | 1.7650 | 1.4805 | 0.9197 | 1.5501 | 1.4299 | 1.2117 | 0.6513 | 1.9022 | 1.1776 |
| Leucine M+1 | 0.1913 | 0.1894 | 0.5523 | 0.6430 | 0.5168 | 0.6270 | 1.7012 | 1.2130 | 1.5922 | 1.7603 | 1.4916 | 0.9128 | 1.5357 | 1.4127 | 1.2225 | 0.6412 | 1.9045 | 1.1856 |
| Leucine M+2 | 0.1918 | 0.1940 | 0.5482 | 0.6375 | 0.5205 | 0.6483 | 1.6946 | 1.2256 | 1.5914 | 1.7841 | 1.4804 | 0.9118 | 1.5302 | 1.4388 | 1.2170 | 0.6579 | 1.8690 | 1.1640 |
| Leucine M+3 | 0.1967 | 0.2291 | 0.5611 | 0.6816 | 0.5068 | 0.6335 | 1.6802 | 1.1913 | 1.5431 | 1.8007 | 1.4927 | 0.8996 | 1.4925 | 1.4194 | 1.2071 | 0.6683 | 1.8673 | 1.1926 |
| Leucine M+4 | 0.2150 | 0.1903 | 0.5164 | 0.6605 | 0.5932 | 0.5795 | 1.6315 | 1.1912 | 1.6546 | 1.7071 | 1.5262 | 1.0019 | 1.4890 | 1.2701 | 1.2164 | 0.6665 | 1.9296 | 1.0838 |
| Leucine M+5 | NA | NA | 0.6258 | 0.7570 | 0.2945 | 0.8443 | 1.4885 | 1.0113 | 1.0146 | 1.6119 | 1.1353 | 0.6717 | 1.1628 | 1.5898 | 1.0915 | 0.4675 | 1.9718 | 1.2818 |
| Leucine M+6 | NA | NA | NA | NA | NA | NA | NA | 0.5065 | NA | NA | 1.4935 | NA | NA | NA | NA | NA | NA | NA |
| Leucine M+7 | NA | NA | NA | NA | NA | NA | NA | 0.6219 | NA | NA | 1.3781 | NA | NA | NA | NA | NA | NA | NA |
| Lysine (431,488) | 1.0699 | 1.0052 | 0.7425 | 0.7547 | 0.6342 | 1.0457 | 1.1034 | 0.3556 | 1.6587 | 0.9759 | 1.7135 | 0.8268 | 1.2457 | 1.1420 | 1.2307 | 0.6519 | 2.4403 | 1.0560 |
| Lysine M+1 | 0.9858 | 0.7910 | 0.9024 | 0.4915 | 0.5592 | 0.5843 | 1.5249 | 0.2627 | 1.5365 | 1.3896 | 1.9095 | 0.7592 | 0.9331 | 1.2725 | 1.1209 | 0.4855 | 2.4510 | 0.8784 |
| Lysine M+2 | 0.6402 | 0.6896 | 0.4536 | NA | 0.2415 | NA | 1.3076 | NA | 1.4279 | 0.6979 | 2.8441 | 0.8199 | 0.3417 | NA | 0.6383 | 0.4142 | 1.5279 | 0.5506 |
| Lysine M+3 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Lysine M+4 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Lysine M+5 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Lysine M+6 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Lysine M+7 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Lysine M+8 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Malic (419,287) | 0.0586 | 0.0913 | 0.8272 | 0.5627 | 0.9688 | 0.9301 | 1.9095 | 1.3747 | 2.7092 | 2.1525 | 0.9468 | 0.8986 | 1.5060 | 1.4274 | 0.7967 | 0.7367 | 1.3578 | 1.4106 |
| Malic M+1 | 0.0651 | 0.0913 | 0.8272 | 0.6464 | 0.9092 | 0.9247 | 1.8896 | 1.4402 | 2.7189 | 2.0606 | 0.9281 | 0.8957 | 1.4286 | 1.3855 | 0.7745 | 0.7269 | 1.3114 | 1.3954 |
| Malic m+2 | 0.0839 | 0.0644 | 0.8951 | 1.1389 | 0.6982 | 0.6768 | 2.0153 | 1.7955 | 1.8838 | 1.4335 | 0.7921 | 0.8519 | 1.0419 | 0.9592 | 0.7322 | 0.7755 | 0.9440 | 0.9766 |
| Malic m+3 | 0.0808 | 0.0315 | 0.6383 | 1.6178 | 0.3727 | 0.3225 | 1.3827 | 2.3560 | 1.0988 | 0.7867 | 0.6301 | 1.4788 | 0.5819 | 0.5475 | 0.5915 | 1.2822 | 0.5142 | 0.5117 |
| Malic m+4 | 0.0971 | NA | 0.0797 | 2.3380 | 0.0304 | 0.0297 | 0.1688 | 3.7799 | 0.0911 | 0.0694 | 0.0704 | 2.0359 | 0.0492 | 0.0405 | 0.0709 | 2.2586 | 0.0456 | 0.0462 |
| Methionine (320,292) | 0.1134 | 0.2614 | 0.9075 | 0.2919 | 0.7900 | 0.8604 | 2.1475 | 0.4234 | 2.2838 | 1.8731 | 1.8640 | 0.3530 | 1.9508 | 1.5127 | 1.5876 | 0.2803 | 2.3161 | 1.2779 |
| Methionine M+1 | 0.1147 | 0.2458 | 0.9150 | 0.2958 | 0.7873 | 0.8967 | 2.1567 | 0.4383 | 2.2176 | 1.9022 | 1.8299 | 0.3549 | 1.9708 | 1.5232 | 1.5786 | 0.2929 | 2.3246 | 1.2250 |
| Methionine M+2 | 0.1054 | 0.2577 | 0.9068 | 0.3043 | 0.8726 | 0.8635 | 2.1438 | 0.4282 | 2.2839 | 1.8491 | 1.7759 | 0.3856 | 1.9990 | 1.5323 | 1.5853 | 0.3036 | 2.3272 | 1.2590 |
| Methionine M+3 | 0.0867 | 0.3162 | 0.8634 | 0.2558 | 0.8262 | 1.0845 | 2.1244 | 0.4466 | 2.3561 | 1.9590 | 1.7274 | 0.3286 | 1.9537 | 1.5325 | 1.5633 | 0.2026 | 2.4495 | 1.2139 |
| Methionine M+4 | NA | NA | 0.4665 | NA | 0.5085 | NA | 1.6228 | 0.1769 | 1.5706 | 1.4846 | 1.5298 | 0.2341 | 1.2499 | 1.2471 | 1.2622 | 0.1537 | 1.7148 | 0.8829 |
| Methionine M+5 | NA | NA | NA | 0.4417 | NA | NA | NA | 1.5004 | NA | 0.9042 | NA | NA | NA | 1.1536 | NA | NA | NA | NA |
| Methionine M+6 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Myristic-D27 ISTD | 1.0844 | 1.2234 | 0.9704 | 0.9223 | 0.9252 | 1.0063 | 0.8430 | 0.8070 | 1.1744 | 0.9577 | 1.1348 | 0.8675 | 0.9795 | 1.0846 | 1.1116 | 1.0942 | 1.2450 | 1.0628 |
| Myristic M+0 (285,129,327) | 1.6593 | 1.8156 | 0.9059 | 0.7980 | 1.3824 | 0.7679 | 0.9111 | 0.9597 | 1.3325 | 1.0137 | 0.8017 | 0.6697 | 0.8280 | 0.9440 | 1.1395 | 0.9468 | 0.9720 | 0.7775 |
| Myristic M+1 | 1.5157 | 1.6828 | 0.9700 | 0.8359 | 1.4834 | 0.9329 | 0.9553 | 0.9589 | 1.5994 | 1.1035 | 0.7798 | 0.6564 | 0.8273 | 1.0848 | 1.0447 | 0.8835 | 1.0645 | 0.8201 |
| Myristic M+10 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Myristic M+11 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Myristic M+12 | NA | NA | 0.5677 | NA | 0.7503 | NA | 0.9216 | NA | 2.6297 | NA | 1.3243 | NA | 0.3778 | NA | 1.0292 | NA | 0.8709 | NA |
| Myristic M+13 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Myristic M+14 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Myristic M+2 | 0.7656 | 0.4226 | 1.6870 | 1.0404 | 2.8654 | 1.7511 | 1.5246 | 1.1697 | 3.2564 | 0.5744 | 0.7955 | 0.4100 | 0.6208 | 0.5704 | 0.6481 | 0.3688 | 0.9599 | 0.3398 |
| Myristic M+3 | 0.7378 | 0.4226 | 1.6707 | 1.1504 | 2.8309 | 1.7063 | 1.5041 | 1.1311 | 3.3375 | 0.5691 | 0.7705 | 0.4144 | 0.6396 | 0.5935 | 0.6521 | 0.3714 | 0.9490 | 0.3410 |
| Myristic M+4 | 0.7740 | 0.5200 | 1.5792 | 1.1043 | 2.6157 | 1.6949 | 1.4810 | 1.0277 | 3.0071 | 0.3934 | 0.7749 | 0.3952 | 0.6222 | 0.5218 | 0.6709 | 0.8241 | 0.8138 | 0.2858 |
| Myristic M+5 | 0.8432 | 0.6262 | 1.4665 | 0.8775 | 2.1095 | 1.4266 | 1.2847 | 0.9882 | 2.9425 | 0.8714 | 0.7690 | 0.4934 | 0.8382 | 0.9270 | 0.9188 | 0.6887 | 1.2361 | 0.5796 |
| Myristic M+6 | 1.1227 | 0.3543 | 0.9699 | 1.8556 | 1.3460 | 1.0023 | 1.0931 | 1.9178 | 1.9025 | 0.2877 | 0.6491 | 0.7526 | 0.6195 | 0.4168 | 0.6246 | 1.3671 | 0.9376 | 0.4472 |
| Myristic M+7 | 1.3264 | NA | 0.5166 | NA | 1.2923 | NA | 0.8228 | 1.7023 | 3.7399 | NA | 0.6724 | 0.5700 | 1.1209 | 0.4676 | 0.7565 | 0.7928 | NA | NA |
| Myristic M+8 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Myristic M+9 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| N-acetylAspartic (3TBDMS) M+0 | 1.8797 | 2.3674 | 0.7862 | 1.5170 | 0.3591 | 0.9322 | 1.8088 | 2.2777 | 0.9259 | 2.9677 | 0.1683 | 0.2158 | 0.3565 | 0.3622 | 0.1938 | 0.1743 | 0.2438 | 0.3989 |
| N-acetylAspartic (3TBDMS) M+1 | 1.8822 | 2.3929 | 0.7793 | 1.5228 | 0.3537 | 0.9218 | 1.8017 | 2.2936 | 0.9139 | 3.0115 | 0.1653 | 0.2112 | 0.3537 | 0.3560 | 0.1908 | 0.1696 | 0.2417 | 0.3889 |
| N-acetylAspartic (3TBDMS) M+2 | 1.8783 | 2.3252 | 0.7995 | 1.5371 | 0.3470 | 0.8720 | 1.8456 | 2.2610 | 0.8974 | 2.9858 | 0.1705 | 0.2100 | 0.3454 | 0.3437 | 0.1959 | 0.1704 | 0.2294 | 0.3810 |
| N-acetylAspartic (3TBDMS) M+3 | 1.8651 | 2.2639 | 0.7925 | 1.5662 | 0.3359 | 0.8768 | 1.8420 | 2.2831 | 0.8873 | 2.9398 | 0.1747 | 0.2084 | 0.3529 | 0.3312 | 0.1956 | 0.1729 | 0.2295 | 0.3802 |
| N-acetylAspartic (3TBDMS) M+4 | 2.1047 | 1.6495 | 0.6101 | 2.3136 | 0.2518 | 0.5934 | 1.3791 | 2.5779 | 0.6125 | 2.0180 | 0.1346 | 0.2359 | 0.2452 | 0.2565 | 0.1544 | 0.2214 | 0.1661 | 0.2800 |
| N-acetylAspartic (3TBDMS) M+5 | 2.1523 | 1.2815 | 0.5319 | 2.7853 | 0.2089 | 0.4456 | 1.1231 | 2.7415 | 0.5184 | 1.6384 | 0.1007 | 0.2431 | 0.1606 | 0.1864 | 0.1177 | 0.2608 | 0.1245 | 0.2101 |
| N-acetylAspartic (3TBDMS) M+6 | 1.8639 | 0.4057 | 0.1989 | 3.3711 | 0.0313 | 0.1757 | 0.4494 | 2.6690 | 0.1416 | 0.6235 | 0.0884 | 0.2576 | 0.0184 | NA | 0.0605 | 0.2764 | NA | 0.0489 |
| n-acetyl aspartic acid M+0 | 0.7881 | 0.4188 | 1.6189 | 1.1762 | 2.7224 | 1.7411 | 1.4996 | 1.1877 | 3.1941 | 0.5420 | 0.7772 | 0.4197 | 0.6138 | 0.5892 | 0.6285 | 0.3831 | 0.9118 | 0.3513 |
| n-acetyl aspartic acid M+1 | 0.7891 | 0.3979 | 1.6229 | 1.1761 | 2.7541 | 1.7879 | 1.4823 | 1.1954 | 3.1687 | 0.5590 | 0.7750 | 0.4206 | 0.6221 | 0.5939 | 0.6250 | 0.3866 | 0.8915 | 0.3331 |
| n-acetyl aspartic acid M+2 | 0.7759 | 0.3990 | 1.6669 | 1.1672 | 2.6567 | 1.7281 | 1.4884 | 1.1467 | 3.1642 | 0.5317 | 0.7942 | 0.4373 | 0.5798 | 0.5982 | 0.6652 | 0.3894 | 0.8746 | 0.3424 |
| n-acetyl aspartic acid M+3 | 0.8393 | 0.4131 | 1.5763 | 1.2357 | 2.5850 | 1.7016 | 1.4980 | 1.1860 | 2.9031 | 0.5479 | 0.8049 | 0.4491 | 0.5974 | 0.4969 | 0.6697 | 0.3880 | 0.8250 | 0.3420 |
| n-acetyl aspartic acid M+4 | 1.2114 | 0.2161 | 1.1015 | 2.4057 | 1.4163 | 0.8456 | 0.9859 | 1.7500 | 1.6515 | 0.2610 | 0.5255 | 0.6108 | 0.3149 | 0.3543 | 0.4854 | 0.7271 | 0.4827 | 0.2443 |
| n-acetyl aspartic acid M+5 | 0.9083 | 0.1323 | 0.8012 | 2.7647 | 0.9285 | 0.3810 | 0.5649 | 1.7305 | 1.2810 | 4.9458 | 0.5142 | 0.6102 | 0.1462 | 0.1969 | 0.2814 | 0.6531 | 0.1888 | NA |
| n-acetyl aspartic acid M+6 | 0.6048 | NA | 0.3417 | 2.7553 | 0.2718 | NA | 0.0908 | 1.3964 | NA | NA | NA | 0.5303 | NA | NA | 0.3035 | 0.5690 | NA | 1.2272 |
| Niacinamide (179, 136, 221) | 1.5131 | 1.5511 | 0.7665 | 0.7606 | 0.5968 | 1.8897 | 0.8886 | 0.6347 | 2.4522 | 1.2423 | 1.3900 | 0.5177 | 0.8015 | 1.4840 | 1.0026 | 0.6743 | 1.3242 | 1.0657 |
| Niacinamide M+1 | 1.4979 | 1.6547 | 0.7529 | 0.7821 | 0.5693 | 1.9766 | 0.9103 | 0.6542 | 2.6955 | 1.1229 | 1.4016 | 0.4268 | 0.6088 | 1.6789 | 1.0220 | 0.6180 | 1.3656 | 1.0646 |
| Niacinamide M+2 | 1.6787 | 1.5031 | 0.7205 | 0.6362 | 0.5107 | 2.3037 | 0.8604 | 0.4300 | 2.6610 | 1.5429 | 1.4038 | 0.2418 | 1.0651 | 1.3460 | 1.2078 | 0.6024 | 1.9587 | 0.9824 |
| Niacinamide M+3 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Niacinamide M+4 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Niacinamide M+5 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Niacinamide M+6 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Oleic Acid M0 | 2.4367 | 2.7648 | 0.6000 | 0.3792 | 0.7263 | 0.4097 | 0.7180 | 0.6429 | 0.8741 | 0.7625 | 0.8676 | 0.5479 | 0.7479 | 1.1947 | 1.5274 | 1.2072 | 1.0466 | 0.7661 |
| Oleic Acid M1 | 2.3663 | 2.8296 | 0.5367 | 0.4131 | 0.7994 | 0.5090 | 0.6895 | 0.6329 | 0.9374 | 0.6734 | 0.7650 | 0.5696 | 0.6919 | 1.2938 | 1.5281 | 1.3472 | 1.0229 | 0.8487 |
| Oleic Acid M10 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Oleic Acid M11 | NA | NA | 0.6994 | NA | 0.0406 | NA | 1.9492 | NA | NA | NA | 1.3171 | NA | NA | NA | 0.4988 | NA | 0.1017 | NA |
| Oleic Acid M12 | NA | NA | 0.7928 | NA | NA | NA | 1.5456 | NA | NA | NA | 1.0368 | NA | NA | NA | 0.4307 | NA | NA | NA |
| Oleic Acid M13 | NA | NA | 0.7772 | NA | NA | NA | 1.3739 | NA | NA | NA | 0.8138 | NA | NA | NA | 1.0666 | NA | 0.6285 | NA |
| Oleic Acid M14 | NA | NA | 0.6830 | NA | NA | NA | 1.7989 | NA | NA | NA | 1.0544 | NA | NA | NA | 0.4254 | NA | 0.8191 | NA |
| Oleic Acid M15 | NA | NA | 0.5798 | NA | NA | NA | 0.5492 | NA | NA | NA | 0.4589 | NA | NA | NA | NA | NA | 2.4122 | NA |
| Oleic Acid M16 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Oleic Acid M17 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Oleic Acid M18 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Oleic Acid M2 | 2.3976 | 2.8728 | 0.4571 | 0.4239 | 0.4891 | 0.3046 | 0.5855 | 0.7609 | 1.1321 | 1.1841 | 0.9840 | 0.5087 | 0.8390 | 1.0500 | 1.5420 | 1.1709 | 1.0123 | 0.7936 |
| Oleic Acid M3 | 1.0050 | 0.9849 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Oleic Acid M4 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Oleic Acid M5 | 0.2673 | 0.0484 | 0.0940 | 1.2396 | 0.9314 | 2.8929 | 0.6286 | 0.7137 | 2.3948 | 1.1126 | 0.0837 | 0.7157 | 1.6140 | 0.7938 | 0.1435 | 0.2764 | 12.0680 | 0.8251 |
| Oleic Acid M6 | 0.2392 | NA | 0.1111 | 1.0071 | 1.0882 | 2.3717 | 0.5381 | 0.5324 | 1.3920 | 0.9116 | 0.1356 | 0.5848 | 1.1744 | 0.9233 | NA | 0.2282 | 9.7121 | 0.8942 |
| Oleic Acid M7 | NA | NA | 0.3332 | NA | 0.5741 | NA | 0.8880 | NA | 1.5502 | NA | 0.3700 | NA | 0.8289 | NA | 0.5645 | NA | 6.2365 | NA |
| Oleic Acid M8 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Oleic Acid M9 | NA | NA | 0.4838 | NA | NA | NA | 1.8876 | NA | NA | NA | 0.9737 | NA | NA | NA | 0.3361 | NA | NA | NA |
| Oleic M+0 2 | 3.4902 | 4.3396 | 1.0617 | 0.4896 | 1.1636 | 0.5739 | 0.5994 | 0.5928 | 0.7631 | 0.7984 | 0.4841 | 0.3333 | 0.4412 | 0.5801 | 1.0059 | 0.7506 | 0.6402 | 0.4695 |
| Oleic M+10 2 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Oleic M+11 2 | NA | NA | 1.0012 | 0.0828 | 0.0388 | NA | 2.0152 | 0.0688 | NA | NA | 1.5425 | NA | NA | NA | 0.5966 | NA | 0.1301 | 0.0585 |
| Oleic M+1 -2 | 2.3828 | 2.8093 | 0.9050 | 0.7239 | 1.1385 | 0.8676 | 0.8318 | 0.5882 | 1.0548 | 0.8576 | 0.8805 | 0.6089 | 0.6972 | 0.9777 | 1.0306 | 0.7427 | 1.1189 | 0.7012 |
| Oleic M+12 2 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| Oleic M+13 2 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Oleic M+14 2 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Oleic M+15 2 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Oleic M+16 2 | 1.3756 | 1.5038 | NA | 0.2794 | NA | NA | NA | 0.4967 | NA | 0.6661 | NA | 0.8267 | NA | 0.8809 | NA | 1.6130 | NA | 1.8630 |
| Oleic M+17 2 | 1.4187 | 1.3302 | NA | 0.4380 | NA | 0.4487 | NA | 0.5469 | NA | 0.4797 | NA | 0.9492 | NA | 1.2348 | NA | 1.4387 | NA | 2.3404 |
| Oleic M+18 2 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Oleic M+2 2 | 2.3185 | 2.4656 | 0.9699 | 0.7690 | 1.3940 | 0.7648 | 0.8773 | 0.6576 | 0.9893 | 0.9011 | 0.9334 | 0.6207 | 0.5922 | 0.8679 | 1.0642 | 0.5820 | 1.3097 | 0.5450 |
| Oleic M+3 2 | 1.6556 | 1.7298 | 1.1230 | 0.9943 | 0.9737 | 0.7409 | 0.9946 | 0.5842 | 1.0123 | 1.1197 | 1.0138 | 0.7481 | 0.8051 | 0.9716 | 1.0026 | 0.6903 | 1.4723 | 0.6389 |
| Oleic M+4 2 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Oleic M+5 2 | NA | NA | NA | NA | NA | NA | 0.3679 | NA | 0.3579 | NA | NA | NA | 0.2723 | NA | NA | NA | 3.0020 | NA |
| Oleic M+6 2 | NA | NA | NA | NA | NA | NA | 0.3977 | NA | 0.8002 | NA | NA | NA | 0.2699 | NA | NA | NA | 2.5322 | NA |
| Oleic M+7 2 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Oleic M+8 2 | NA | NA | NA | NA | NA | NA | 0.9251 | NA | NA | NA | 0.8387 | NA | NA | NA | 1.4350 | NA | NA | NA |
| Oleic M+9 2 | NA | NA | NA | NA | NA | NA | 1.0488 | NA | NA | NA | 1.1630 | NA | NA | NA | 0.7881 | NA | NA | NA |
| Ornithine (474,417) | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Ornithine M+1 | 1.1785 | 0.7570 | NA | 1.2810 | NA | 1.3748 | NA | 0.5512 | NA | 0.6710 | NA | 1.1715 | NA | 1.4530 | NA | 0.7620 | NA | 0.9676 |
| Ornithine M+2 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Ornithine M+3 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Ornithine M+4 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Ornithine M+5 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Ornithine M+6 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Oxaloacetic (332,374) | NA | NA | 1.4513 | NA | 0.5800 | NA | 0.8500 | NA | 0.6115 | NA | 1.6307 | NA | NA | NA | 0.4204 | NA | 1.0012 | NA |
| Oxaloacetic m+1 | NA | NA | 0.9303 | NA | NA | NA | NA | NA | NA | NA | 1.0348 | NA | NA | NA | NA | NA | NA | NA |
| Oxaloacetic m+2 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Oxaloacetic m+3 | NA | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Oxaloacetic m+4 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Palmitic M+0 | 1.7882 | 2.0512 | 0.8672 | 0.7343 | 1.2799 | 0.6568 | 0.7869 | 0.8501 | 1.2932 | 1.1063 | 0.8268 | 0.7965 | 0.7935 | 0.9524 | 1.1218 | 1.0316 | 0.9124 | 0.7403 |
| Palmitic M+1 | 1.7327 | 1.9863 | 0.8827 | 0.7137 | 1.3213 | 0.6825 | 0.8113 | 0.8511 | 1.3323 | 1.1665 | 0.8636 | 0.7872 | 0.8591 | 0.9625 | 1.1253 | 0.9896 | 0.9101 | 0.7505 |
| Palmitic M+10 | NA | NA | 0.7210 | NA | NA | NA | 1.3933 | NA | NA | NA | 0.5733 | NA | NA | NA | 0.9024 | NA | NA | NA |
| Palmitic M+11 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Palmitic M+12 | NA | NA | 1.1554 | NA | 0.7161 | NA | 1.0752 | NA | 1.6280 | NA | 1.2447 | NA | 0.4257 | NA | 0.6052 | NA | 1.0632 | NA |
| Palmitic M+13 | 0.1819 | 0.0551 | 1.0160 | 1.4928 | 1.1823 | 0.9757 | 1.3366 | 1.1890 | 2.5702 | 1.8428 | 1.5108 | 0.8217 | 1.1016 | 0.8430 | 0.6566 | 0.5159 | 0.9805 | 0.5635 |
| Palmitic M+14 | 0.2728 | NA | 1.0113 | 1.3473 | 0.9155 | 0.8514 | 1.0644 | 1.2275 | 2.1518 | 1.6469 | 1.2970 | 0.9333 | 1.0051 | 0.9999 | 0.6743 | 0.5379 | 0.8382 | 0.6732 |
| Palmitic M+15 | 1.5366 | 1.8781 | NA | 1.2128 | NA | 0.7545 | NA | 1.8328 | NA | 2.3015 | NA | 0.1466 | NA | 0.2841 | NA | 0.1381 | NA | 0.3148 |
| Palmitic M+16 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Palmitic M+2 | 0.6481 | 0.7282 | 0.9951 | 1.1749 | 1.1638 | 0.9067 | 1.1276 | 1.0692 | 2.1427 | 1.7146 | 1.2640 | 0.8640 | 1.0335 | 0.9986 | 0.7936 | 0.7510 | 0.9721 | 0.5897 |
| Palmitic M+3 | 0.4372 | 0.3602 | 0.9704 | 1.4162 | 1.2296 | 0.9974 | 1.1700 | 1.1081 | 2.4135 | 1.6211 | 1.3451 | 0.8524 | 0.9886 | 1.0654 | 0.8185 | 0.5726 | 0.8711 | 0.6912 |
| Palmitic M+4 | NA | NA | 0.9961 | 1.2516 | 1.0814 | 1.0221 | 1.1158 | 1.1583 | 2.2604 | 1.5325 | 1.2909 | 0.8819 | 1.0210 | 0.9784 | 0.6255 | 0.4108 | 0.6311 | 0.5491 |
| Palmitic M+5 | NA | NA | 0.8559 | 1.4589 | 0.9528 | 1.0366 | 1.0883 | 1.3612 | 2.1310 | 1.6343 | 1.3382 | 0.7879 | 0.8216 | 0.8433 | 0.5064 | 0.4243 | 0.6959 | 0.5995 |
| Palmitic M+6 | NA | NA | 0.3603 | 2.7340 | 0.3104 | 0.2966 | 0.5902 | 2.7738 | 0.5609 | 0.4791 | 0.4432 | 1.5425 | 0.3476 | 0.3708 | 0.1577 | 0.7557 | 0.1307 | 0.0745 |
| Palmitic M+7 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA |
| Palmitic M+8 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Palmitic M+9 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Phenylalanine (336,308) | 0.2357 | 0.2483 | 0.7305 | 0.5977 | 0.6714 | 0.7371 | 1.7297 | 0.9576 | 1.7258 | 1.5150 | 1.5091 | 0.7753 | 1.5858 | 1.2687 | 1.3502 | 0.6445 | 2.0393 | 1.0875 |
| Phenylalanine M+1 | 0.2448 | 0.2632 | 0.7428 | 0.5972 | 0.6658 | 0.6711 | 1.7453 | 0.9501 | 1.6871 | 1.5024 | 1.5014 | 0.7717 | 1.5953 | 1.2936 | 1.3636 | 0.6375 | 2.0119 | 1.0927 |
| Phenylalanine M+10 | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Phenylalanine M+2 | 0.2498 | 0.2546 | 0.7084 | 0.5983 | 0.6406 | 0.7819 | 1.6910 | 0.9591 | 1.7942 | 1.4317 | 1.5172 | 0.8110 | 1.4976 | 1.3168 | 1.3454 | 0.6424 | 2.0780 | 1.1147 |
| Phenylalanine M+3 | 0.2010 | 0.2510 | 0.7161 | 0.6234 | 0.7111 | 0.8366 | 1.7591 | 0.9105 | 1.8793 | 1.3002 | 1.5372 | 0.7392 | 1.7428 | 1.1581 | 1.3742 | 0.6065 | 2.0505 | 1.2011 |
| Phenylalanine M+4 | NA | NA | 0.9522 | 0.5351 | 0.6008 | 1.4311 | 1.3568 | 0.7201 | 1.4077 | 1.2640 | 1.2838 | 0.5456 | 1.7083 | 1.1455 | 1.2555 | 0.6156 | 1.8580 | 0.5584 |
| Phenylalanine M+5 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Phenylalanine M+6 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Phenylalanine M+7 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Phenylalanine M+8 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Phenylalanine M+9 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Phosphoenolpyruvic (453,495) | 1.2707 | 1.5316 | 0.0729 | 1.7576 | 1.1152 | 1.4615 | 0.0754 | 0.9072 | 1.0638 | 0.9807 | 0.0511 | 1.4395 | 1.4981 | 0.9094 | 0.0441 | 1.4335 | 1.3967 | 1.2509 |
| Phosphoenolpyruvic m+1 | 1.0110 | 1.3508 | NA | 1.3283 | 0.9301 | 1.1234 | 0.0505 | 0.6867 | 0.9854 | 0.6959 | 0.0909 | 1.2376 | 1.2509 | 0.9854 | NA | 1.1006 | 1.0918 | 0.9881 |
| Phosphoenolpyruvic m+2 | 1.1241 | 1.3434 | NA | 1.3192 | 0.8098 | 1.2367 | NA | 0.7860 | 0.9200 | 0.7400 | 0.1429 | 1.1562 | 1.1986 | 0.9455 | 0.1180 | 1.2097 | 1.2958 | 0.7254 |
| Phosphoenolpyruvic m+3 | NA | NA | 1.0022 | NA | 0.0325 | NA | 0.6993 | NA | 0.0157 | NA | 1.8518 | NA | 0.0541 | NA | 1.4135 | NA | 0.0304 | NA |
| Phosphoserine (584,482) | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Phosphoserine M+1 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Phosphoserine M+2 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Phosphoserine M+3 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Phosphoserine M+4 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Proline (286,258) | 0.8127 | 1.4073 | 0.5620 | 0.6400 | 0.4494 | 0.5361 | 1.0739 | 1.0251 | 2.0184 | 2.4277 | 1.8082 | 0.9163 | 2.1612 | 1.0166 | 0.7486 | 0.6545 | 1.5451 | 0.4728 |
| Proline M+1 | 0.8379 | 1.3760 | 0.5703 | 0.6567 | 0.4514 | 0.5456 | 1.0569 | 1.0309 | 2.0436 | 2.3999 | 1.7922 | 0.9074 | 2.1119 | 1.0133 | 0.7412 | 0.6687 | 1.5256 | 0.4839 |
| Proline M+2 | 0.8529 | 1.3906 | 0.6329 | 0.6752 | 0.4377 | 0.5096 | 1.1630 | 1.0056 | 1.8422 | 2.3401 | 1.8217 | 0.8920 | 1.9808 | 0.9377 | 0.7570 | 0.6237 | 1.4085 | 0.4565 |
| Proline M+3 | 1.7299 | 0.7602 | 0.3732 | 1.1491 | 0.2954 | 0.2525 | 0.6882 | 1.2865 | 1.1919 | 1.3861 | 1.1487 | 0.7057 | 1.1868 | 0.5727 | 0.4898 | 0.6045 | 0.7785 | 5.8729 |
| Proline M+4 | 1.8645 | 0.5546 | 0.3841 | 1.6067 | 0.1885 | 4.0037 | 0.5015 | 1.6612 | 0.7139 | 0.6989 | 0.8427 | 1.0433 | 0.6555 | 0.3821 | 0.3693 | 0.8435 | 0.5181 | 0.2016 |
| Proline M+5 | 1.6285 | NA | NA | 1.6211 | NA | NA | 0.0092 | 1.7155 | 0.0103 | 0.0130 | 0.0191 | 1.3363 | 0.0068 | NA | NA | 1.1676 | NA | NA |
| Proline M+6 | 1.0762 | NA | NA | 1.0834 | NA | NA | NA | 1.1254 | NA | NA | NA | 0.9506 | NA | NA | NA | 0.7645 | NA | NA |
| Propylene glycol 2TBDMS 247,189 ? | 0.8775 | 1.8475 | 0.5141 | 0.7719 | 0.0949 | 0.3544 | 1.1461 | 1.1446 | 0.8327 | 2.7951 | 0.7211 | 0.9641 | 1.0893 | 1.5061 | 0.9727 | 1.0557 | 1.4525 | 2.1280 |
| Propylene glycol M+1 | 1.2877 | 1.7431 | NA | 0.6222 | NA | NA | 1.1650 | 0.8396 | NA | 1.8620 | 0.4751 | 0.7956 | 0.4772 | 1.4128 | 0.8305 | 0.6901 | 1.2181 | 1.4340 |
| Propylene glycol M+2 | 0.8664 | 0.9723 | NA | 0.7548 | NA | NA | 0.8457 | NA | NA | 1.6061 | NA | 1.0511 | NA | 1.3799 | NA | 0.6843 | 0.8393 | NA |
| Propylene glycol M+3 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 | NA | NA | NA | NA | NA | NA | NA |
| Pyroglutamic (300,272) | 0.2549 | 0.7668 | 1.3778 | 0.2435 | 0.9834 | 1.1431 | 2.4531 | 0.2971 | 1.5288 | 1.5659 | 1.7270 | 0.2308 | 1.3902 | 1.3395 | 1.4486 | 0.2346 | 2.0246 | 1.1884 |
| Pyroglutamic M+1 | 0.2586 | 0.7513 | 1.3731 | 0.2527 | 0.9630 | 1.1441 | 2.4713 | 0.3007 | 1.5114 | 1.5706 | 1.7214 | 0.2279 | 1.3994 | 1.3222 | 1.4399 | 0.2343 | 2.0266 | 1.1926 |
| Pyroglutamic M+2 | 0.2446 | 0.6850 | 1.4920 | 0.2709 | 0.8477 | 0.9949 | 2.6850 | 0.2970 | 1.3282 | 1.3861 | 1.7396 | 0.2125 | 1.2208 | 1.1728 | 1.4869 | 0.2179 | 1.7392 | 1.0394 |
| Pyroglutamic M+3 | 0.5322 | 0.4822 | 1.1707 | 1.0519 | 0.5862 | 0.7012 | 2.1037 | 1.0785 | 0.9665 | 0.9501 | 1.3147 | 0.4817 | 0.8682 | 0.8326 | 1.1596 | 0.5060 | 1.2726 | 0.7446 |
| Pyroglutamic M+4 | 0.5488 | 0.2970 | 0.9068 | 1.5776 | 0.3218 | 0.3733 | 1.6283 | 1.7569 | 0.4875 | 0.4494 | 0.9135 | 1.1045 | 0.4930 | 0.3931 | 0.8509 | 0.9942 | 0.6541 | 0.4053 |
| Pyroglutamic M+5 | 0.6447 | 0.0082 | 0.0188 | 2.6498 | 0.0050 | 0.0133 | 0.0696 | 3.2808 | 0.0066 | 0.0138 | 0.0192 | 2.4668 | 0.0072 | 0.0144 | 0.0187 | 2.0596 | 0.0090 | 0.0101 |
| Pyroglutamic M+6 | 0.5999 | 0.0060 | 0.0242 | 2.4719 | 0.0027 | 0.0096 | 0.0674 | 3.0852 | 0.0030 | 0.0108 | 0.0196 | 2.3008 | NA | 0.0106 | 0.0183 | 1.9050 | NA | 0.0125 |
| Pyruvic (174,115) | 0.8231 | 0.8503 | 0.0763 | 1.1024 | 0.6499 | 0.7685 | 0.1127 | 1.4893 | 0.6031 | 0.8122 | 0.0840 | 1.8937 | 1.0515 | 1.2434 | 0.0914 | 2.9841 | 2.6760 | 1.7164 |
| Pyruvic M+1 | 0.7902 | 0.8114 | 0.1331 | 1.0729 | 0.6297 | 0.7513 | 0.1773 | 1.4687 | 0.6103 | 0.8412 | 0.1415 | 1.8390 | 1.0337 | 1.1886 | 0.1853 | 2.9042 | 2.6201 | 1.6651 |
| Pyruvic M+2 | 0.7517 | 0.7773 | 0.3236 | 0.9882 | 0.5676 | 0.7447 | 0.3225 | 1.3592 | 0.5740 | 0.6772 | 0.3142 | 1.6965 | 0.9070 | 0.9957 | 0.4652 | 2.7128 | 2.4265 | 1.5950 |
| Pyruvic M+3 | 0.0113 | 0.0103 | 2.4658 | 0.0263 | 0.0535 | 0.0107 | 2.0309 | 0.0334 | 0.0075 | 0.0098 | 2.6177 | 0.0353 | 0.0121 | 0.0137 | 3.9255 | 0.0613 | 0.0324 | 0.0199 |
| Serine (390,362) | 0.1407 | 0.1590 | 0.9865 | 0.8382 | 0.6646 | 0.7360 | 1.8757 | 1.1784 | 2.0093 | 2.3587 | 1.4228 | 0.6650 | 1.3773 | 1.2254 | 1.0521 | 0.4824 | 1.0463 | 0.8563 |
| Serine m+1 | 0.1408 | 0.1552 | 0.9931 | 0.8309 | 0.6451 | 0.7267 | 1.8869 | 1.1807 | 1.9824 | 2.3565 | 1.4433 | 0.6544 | 1.3688 | 1.2280 | 1.0537 | 0.4772 | 1.0360 | 0.8576 |
| Serine m+2 | 0.1426 | 0.1552 | 1.0072 | 0.8344 | 0.6369 | 0.7424 | 1.8968 | 1.1684 | 1.9774 | 2.3189 | 1.4377 | 0.6549 | 1.3669 | 1.2163 | 1.0566 | 0.4743 | 1.0464 | 0.8485 |
| Serine m+3 | 0.1024 | 0.1087 | 1.5933 | 0.5785 | 0.4628 | 0.5351 | 2.0370 | 0.8338 | 1.3989 | 1.6637 | 1.9165 | 0.4628 | 0.9710 | 0.8426 | 1.5533 | 0.3396 | 0.7183 | 0.6296 |
| Serine M+4 | 0.0897 | 0.0992 | 1.6925 | 0.5455 | 0.4230 | 0.5224 | 2.0482 | 0.7681 | 1.3461 | 1.4595 | 2.0063 | 0.4350 | 0.9767 | 0.7463 | 1.6217 | 0.3238 | 0.7096 | 0.5936 |
| Stearic M+0 341,129,383 | 1.5246 | 1.5959 | 0.8620 | 0.7814 | 1.1315 | 0.7420 | 0.8449 | 0.7769 | 1.0547 | 0.9920 | 0.9048 | 0.8602 | 0.9838 | 1.0318 | 1.1871 | 1.0850 | 1.1707 | 0.9905 |
| Stearic M+1 | 1.5552 | 1.6193 | 0.8826 | 0.8080 | 1.1088 | 0.7764 | 0.8263 | 0.7663 | 1.0733 | 0.9643 | 0.8795 | 0.8503 | 1.0223 | 0.9720 | 1.1931 | 1.0596 | 1.2064 | 0.9741 |
| Stearic M+10 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Stearic M+11 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Stearic M+12 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Stearic M+13 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Stearic M+14 | 1.3446 | 1.4695 | 0.6454 | 0.7159 | 2.2661 | NA | 0.8424 | 0.8356 | 0.4723 | 1.0717 | 1.3383 | 0.6166 | 0.6326 | 0.2991 | 1.4747 | 1.1552 | 0.7462 | 1.2285 |
| Stearic M+15 | 1.4033 | 1.8192 | 0.4526 | 0.1518 | 1.5613 | NA | 0.8628 | 0.7552 | 0.5506 | 0.8875 | 1.1912 | 0.6530 | NA | NA | 1.5292 | 1.1676 | 0.5613 | 2.0963 |
| Stearic M+16 | NA | NA | NA | NA | 0.7949 | NA | 1.0139 | NA | NA | NA | NA | NA | NA | NA | 1.1912 | NA | NA | NA |
| Stearic M+17 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Stearic M+18 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Stearic M+2 | 1.4577 | 1.5071 | 0.8434 | 0.7829 | 1.1360 | 0.7379 | 0.8447 | 0.7163 | 0.9885 | 1.0205 | 1.0218 | 0.9266 | 0.8645 | 1.1120 | 1.1528 | 1.0326 | 1.4195 | 1.0985 |
| Stearic M+3 | 1.0126 | 1.1094 | NA | 1.1070 | NA | 1.0145 | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.7992 | NA | NA |
| Stearic M+4 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Stearic M+5 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Stearic M+6 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Stearic M+7 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Stearic M+8 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Stearic M+9 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Succinic +1 | 0.3617 | 0.5192 | 1.0691 | 0.7802 | 0.9844 | 1.1589 | 1.6305 | 0.9171 | 2.3481 | 1.5882 | 0.8375 | 0.8057 | 1.2201 | 1.6083 | 1.1053 | 0.5951 | 1.7698 | 1.3939 |
| Succinic +2 | 0.4174 | 0.2648 | 1.1745 | 1.3177 | 0.6082 | 0.5692 | 2.1182 | 1.2699 | 1.1601 | 0.6895 | 0.7427 | 0.7741 | 0.5400 | 0.9436 | 1.1336 | 0.6899 | 0.9627 | 0.7097 |
| Succinic (289,331) | 0.3314 | 0.5445 | 1.1278 | 0.6193 | 0.9906 | 1.1520 | 1.6705 | 0.8994 | 2.3082 | 1.7216 | 0.8491 | 0.7811 | 1.1622 | 1.7399 | 1.1446 | 0.5897 | 1.8399 | 1.4902 |
| Succinic +3 | 0.3718 | NA | 1.2189 | 1.6336 | 0.3345 | 0.3059 | 1.7560 | 1.6024 | 0.8884 | 0.5212 | 0.5645 | 1.3081 | 0.2182 | 0.4486 | 0.7527 | 0.9187 | 0.4432 | 0.3338 |
| Succinic +4 | 0.4616 | NA | 0.0303 | 1.9516 | NA | NA | 0.0716 | 2.4079 | 0.0100 | NA | 0.0158 | 2.2144 | NA | NA | 0.0295 | 2.0693 | 0.0114 | NA |
| Taurine | 0.6420 | 0.6962 | 0.3281 | 0.3303 | 0.2710 | 0.3536 | 0.5261 | 0.4661 | 0.8710 | 0.4935 | 2.4569 | 1.7503 | 2.3678 | 3.0272 | 1.1448 | 0.9885 | 1.3602 | 1.0272 |
| Taurine M+1 | 0.6627 | 0.7053 | 0.3248 | 0.3464 | 0.2693 | 0.3403 | 0.5165 | 0.4867 | 0.8204 | 0.5391 | 2.4286 | 1.6895 | 2.3479 | 3.0392 | 1.1085 | 1.0761 | 1.3162 | 1.0632 |
| Taurine M+2 | 0.6320 | 0.6733 | 0.3168 | 0.3483 | 0.2613 | 0.3388 | 0.5158 | 0.4923 | 0.8415 | 0.5681 | 2.4402 | 1.7330 | 2.2849 | 3.1639 | 1.0932 | 1.0703 | 1.2735 | 1.0273 |
| Threonine (404,376) | 0.2190 | 0.2627 | 0.8196 | 0.6255 | 0.5277 | 0.4488 | 1.1181 | 0.9316 | 1.3730 | 2.1980 | 1.1378 | 0.7233 | 1.5564 | 1.4485 | 1.9683 | 1.1811 | 1.0803 | 1.2069 |
| Threonine M+1 | 0.2212 | 0.2818 | 0.8072 | 0.6420 | 0.5350 | 0.4371 | 1.0908 | 0.9631 | 1.2918 | 2.2683 | 1.1593 | 0.7040 | 1.5319 | 1.3665 | 1.9578 | 1.1968 | 1.1053 | 1.2140 |
| Threonine M+2 | 0.2355 | 0.2588 | 0.8505 | 0.6540 | 0.5372 | 0.4423 | 1.1192 | 0.9451 | 1.3442 | 2.4601 | 1.0975 | 0.7149 | 1.6187 | 1.3552 | 1.9070 | 1.1529 | 1.1081 | 1.1685 |
| Threonine M+3 | 0.1334 | 0.3437 | 0.8648 | 0.5888 | 0.5757 | 0.3895 | 1.0766 | 0.9531 | 1.4174 | 2.1835 | 1.1417 | 0.6877 | 1.6554 | 1.2234 | 2.0347 | 1.2225 | 1.1163 | 1.2809 |
| Threonine M+4 | 0.1860 | NA | 0.7415 | 0.3762 | 0.4548 | NA | 0.7458 | 0.9614 | 1.1576 | 2.5570 | 0.8659 | 0.6374 | 1.7330 | 1.4631 | 2.0287 | 0.9937 | 0.8829 | 0.9176 |
| Threonine M+5 | NA | NA | NA | NA | NA | NA | NA | 0.7400 | NA | NA | NA | NA | NA | 0.7381 | 1.5220 | NA | NA | NA |
| Thymine M+0 2 TBDMS | 0.8787 | 1.3054 | 1.0865 | 0.8319 | 0.2234 | 0.9673 | 1.5834 | 0.8715 | 1.4029 | 1.3274 | 1.2173 | 0.5857 | 1.2327 | 0.8413 | 0.9011 | 0.5890 | 2.2674 | 1.2518 |
| Thymine M+1 2 TBDMS | 0.8565 | 1.3035 | 1.1007 | 0.7459 | 0.2008 | 1.0009 | 1.5369 | 0.8514 | 1.3339 | 1.2948 | 1.2165 | 0.5871 | 1.3527 | 0.9777 | 0.9402 | 0.6032 | 2.4370 | 1.3448 |
| Thymine M+2 2 TBDMS | 0.7721 | 1.1728 | 1.1232 | 0.8503 | 0.2454 | 1.1469 | 1.5010 | 0.8240 | 1.3673 | 1.2902 | 1.2278 | 0.6258 | 1.2919 | 0.9392 | 0.9903 | 0.5753 | 2.2005 | 1.3862 |
| Thymine M+3 2 TBDMS | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Thymine M+4 2 TBDMS | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Thymine M+5 2 TBDMS | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Tryptophan M+1 | 0.3775 | 0.3219 | 0.3981 | 0.2773 | 0.2688 | NA | 0.5595 | 0.1229 | 1.3284 | 0.4535 | 1.8453 | 0.3534 | 2.0946 | 0.3445 | 3.2621 | 0.4189 | 1.6854 | 0.3731 |
| Tryptophan M+2 | NA | NA | 0.1436 | NA | NA | NA | 0.4275 | NA | 0.4253 | NA | 1.0983 | NA | 0.6801 | NA | 1.4713 | NA | 1.6177 | NA |
| Tryptophan M+3 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.1080 | NA | NA | NA | 1.0241 | NA | 0.6877 | NA |
| Tryptophan M+4 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.1275 | NA | NA | NA | 0.8725 | NA | NA | NA |
| Tryptophan M+5 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Tryptophan M+6 | 1.3077 | 1.4795 | NA | 0.5121 | NA | 0.6685 | NA | 0.7510 | NA | 2.1155 | 0.1887 | 1.1744 | NA | 2.0884 | 0.1744 | 1.9390 | 0.1171 | 1.7194 |
| Typtophan 3TBDMS 489 531 244 | 0.3479 | 0.4216 | 0.5515 | 0.0527 | 0.2735 | 0.1485 | 0.7989 | 0.2068 | 1.3224 | 0.7189 | 2.0614 | 0.2504 | 2.2382 | 0.6864 | 3.3534 | 0.5881 | 2.2116 | 0.4994 |
| Tyrosine (466,302) | 0.2582 | 0.2544 | 0.6728 | 0.6343 | 0.6312 | 0.7378 | 1.6361 | 1.0264 | 1.5508 | 1.6908 | 1.3880 | 0.8420 | 1.5555 | 1.4172 | 1.3294 | 0.6936 | 2.0056 | 1.2339 |
| Tyrosine M+1 | 0.2553 | 0.2709 | 0.6845 | 0.6412 | 0.6322 | 0.7579 | 1.6218 | 1.0137 | 1.5812 | 1.6857 | 1.3926 | 0.8432 | 1.5735 | 1.4343 | 1.3330 | 0.6947 | 1.9566 | 1.1877 |
| Tyrosine M+2 | 0.2633 | 0.2690 | 0.6615 | 0.6554 | 0.6559 | 0.6943 | 1.6464 | 1.0365 | 1.5287 | 1.7271 | 1.3584 | 0.8539 | 1.6090 | 1.3834 | 1.2861 | 0.7099 | 2.0359 | 1.2112 |
| Tyrosine M+3 | 0.2578 | 0.2593 | 0.6624 | 0.6229 | 0.6133 | 0.6378 | 1.6256 | 1.0122 | 1.6125 | 1.6330 | 1.4225 | 0.8403 | 1.6588 | 1.5447 | 1.3089 | 0.6964 | 1.9593 | 1.2851 |
| Tyrosine M+4 | 0.1323 | 0.2395 | 0.8749 | 0.5747 | 0.8594 | 0.6295 | 1.6120 | 1.0788 | 1.5389 | 1.5876 | 1.4212 | 0.9144 | 1.4177 | 1.2680 | 1.3546 | 0.6797 | 1.5785 | 1.1855 |
| Tyrosine M+5 | 0.5292 | 0.3971 | 0.4488 | 0.3477 | 0.5273 | NA | 1.3912 | 0.6889 | 1.9651 | 1.3774 | 1.1584 | 0.8008 | 1.7737 | 1.1710 | 1.3033 | 0.8620 | 2.6744 | 2.4199 |
| Uracil M+0 | 1.2671 | 1.4383 | 1.0253 | 0.9252 | 0.9885 | 1.3559 | 0.9820 | 0.7486 | 1.8857 | 0.8844 | 1.3866 | 0.5937 | 0.9310 | 1.0400 | 1.1930 | 0.5914 | 0.9701 | 0.6537 |
| Uracil M+1 | 1.2445 | 1.4243 | 1.0264 | 0.9639 | 0.9519 | 1.3575 | 1.0035 | 0.7662 | 1.8448 | 0.8061 | 1.3739 | 0.5928 | 0.8835 | 1.0529 | 1.1631 | 0.6062 | 1.0529 | 0.6639 |
| Uracil M+2 | 1.3151 | 1.4055 | 1.0291 | 0.9244 | 0.9536 | 1.3259 | 1.0115 | 0.7392 | 1.8892 | 0.8151 | 1.3297 | 0.6063 | 0.8534 | 1.0246 | 1.1905 | 0.6152 | 0.9990 | 0.6897 |
| Uracil M+3 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Uracil M+4 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Urea (231, 273) | 0.7732 | 1.5297 | 0.7811 | 0.5684 | 0.6992 | 0.4922 | 1.4453 | 0.9045 | 1.8047 | 1.1905 | 1.1670 | 0.7863 | 2.2838 | 1.0966 | 1.1035 | 0.7513 | 1.6158 | 1.1652 |
| Urea 3 M+1 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Urea 3 M+2 | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Urea 3 M+3 | 1.0000 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Urea 3-TBDMS (?) | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Urea (M+1) | 0.9896 | 1.7094 | 0.7356 | 0.5285 | 0.7403 | 0.6046 | 1.4764 | 0.8626 | 1.5693 | 1.1224 | 1.0805 | 0.7786 | 2.1062 | 1.3555 | 1.0990 | 0.7147 | 1.5697 | 1.1603 |
| Urea (M+2) | 0.9016 | 1.4901 | 0.7249 | 0.5153 | 0.5065 | 0.2981 | 1.5032 | 0.8658 | 1.7706 | 0.8412 | 1.1716 | 0.7601 | 2.4398 | 1.3653 | 1.0935 | 0.7698 | 1.9180 | 1.1469 |
| Urea (M+3) | 0.3139 | 0.9949 | 1.2405 | NA | 0.4927 | NA | 1.4153 | 0.6914 | 1.2001 | 1.1547 | 0.9680 | 0.9641 | 2.0934 | 1.2473 | 0.7587 | 0.6064 | 1.1809 | 0.6107 |
| Uric acid (576,395,511) | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Uric acid M+1 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Uric Acid M+2 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Uric Acid M+3 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Uric Acid M+4 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| Valine (288) | 0.2342 | 0.2623 | 0.6394 | 0.5604 | 0.5377 | 0.6132 | 1.7225 | 0.9341 | 1.5829 | 1.5384 | 1.5511 | 0.8483 | 1.5887 | 1.3819 | 1.3692 | 0.6776 | 2.0773 | 1.2703 |
| Valine M+1 | 0.2444 | 0.2711 | 0.6437 | 0.5507 | 0.5527 | 0.6189 | 1.7362 | 0.9277 | 1.5982 | 1.5070 | 1.5497 | 0.8520 | 1.5767 | 1.3594 | 1.3802 | 0.6614 | 2.0523 | 1.2797 |
| Valine M+2 | 0.3328 | 0.4130 | 0.6144 | 0.5777 | 0.6004 | 0.6808 | 1.5490 | 0.9347 | 1.4626 | 1.5554 | 1.4386 | 0.9039 | 1.5305 | 1.7974 | 1.2375 | 0.7101 | 2.2475 | 1.5174 |
| Valine M+3 | 0.3617 | 0.4098 | 0.5723 | 0.5199 | 0.4977 | 0.7064 | 1.5661 | 0.9625 | 1.6210 | 1.6729 | 1.3822 | 0.9827 | 1.5274 | 1.8563 | 1.1974 | 0.7139 | 2.2791 | 1.3949 |
| Valine M+4 | 0.3655 | 0.2088 | 0.5145 | 0.6364 | 0.5248 | 0.8083 | 1.4610 | 1.0028 | 1.4678 | 1.3107 | 1.2439 | 1.1420 | 1.4052 | 2.2369 | 0.9676 | 0.6827 | 3.0646 | 1.9077 |
| Valine M+5 | NA | NA | 0.9723 | NA | NA | NA | 1.3867 | 0.0622 | 0.0351 | NA | 1.6304 | NA | 0.0609 | 0.1850 | 1.1394 | NA | 0.1413 | NA |
| Valine M+6 | NA | NA | 1.0023 | NA | NA | NA | 0.8640 | NA | NA | NA | 1.2722 | NA | NA | NA | 0.8161 | NA | NA | NA |
| Xanthine 3TBDMS M+0 | NA | NA | 0.6870 | NA | NA | NA | 1.8733 | NA | NA | NA | 0.9216 | NA | NA | NA | 0.7516 | NA | 0.0665 | NA |
| Xanthine 3TBDMS M+1 | NA | NA | 0.7030 | NA | NA | NA | 1.8511 | NA | 0.1107 | NA | 1.0105 | NA | 0.0426 | NA | 1.0162 | NA | 0.5234 | NA |
| Xanthine 3TBDMS M+2 | 0.7590 | 0.2880 | 0.9100 | 1.2249 | 0.9932 | 1.0458 | 2.0171 | 1.4780 | 1.4063 | 2.2983 | 0.7199 | 0.5038 | 0.7224 | 1.1306 | 0.5868 | 0.4054 | 1.8671 | 1.3062 |
| Xanthine 3TBDMS M+3 | 0.8713 | 0.7326 | NA | 0.9028 | NA | 1.2308 | NA | 0.8309 | NA | 1.7066 | NA | 0.9779 | NA | 1.8275 | NA | 0.8847 | NA | 1.6326 |
| Xanthine 3TBDMS M+4 | 0.7061 | 0.7172 | NA | 0.9114 | NA | 1.2453 | NA | 0.8530 | NA | 1.9157 | NA | 0.9186 | NA | 2.2096 | NA | 0.9087 | NA | 1.7214 |
| Xanthine 3TBDMS M+5 | 0.9172 | 0.3406 | NA | 0.8016 | NA | 0.8996 | NA | 0.8433 | NA | 1.9469 | NA | 0.9822 | NA | 2.0777 | NA | 0.9390 | NA | 1.8018 |
Factors:
| F1 | Treatment:Alanine 18h and C13 Glutamine 60min |
| F2 | Treatment:Alanine 18h and Glutamine 60min |
| F3 | Treatment:C13 Glucose 30min |
| F4 | Treatment:C13 Glutamine 60min |
| F5 | Treatment:Glucose 30min |
| F6 | Treatment:Glutamine 60min |
| F7 | Treatment:SMACA2 restoration + C13 Glucose 30min |
| F8 | Treatment:SMACA2 restoration + C13 Glutamine 60min |
| F9 | Treatment:SMACA2 restoration + Glucose 30min |
| F10 | Treatment:SMACA2 restoration + Glutamine 60min |
| F11 | Treatment:SMACA4 and A2 restoration + C13 Glucose 30min |
| F12 | Treatment:SMACA4 and A2 restoration + C13 Glutamine 60min |
| F13 | Treatment:SMACA4 and A2 restoration + Glucose 30min |
| F14 | Treatment:SMACA4 and A2 restoration + Glutamine 60min |
| F15 | Treatment:SMACA4 restoration + C13 Glucose 30min |
| F16 | Treatment:SMACA4 restoration + C13 Glutamine 60min |
| F17 | Treatment:SMACA4 restoration + Glucose 30min |
| F18 | Treatment:SMACA4 restoration + Glutamine 60min |
