Data for (Study ST003036)
(Analysis AN004978)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 | F19 | F20 | F21 | F22 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 11-beta-hydroxyandrosterone-3-glucuronide | NA | NA | 1.5198 | 1.4474 | 1.3494 | 1.2246 | 0.5839 | 0.4902 | NA | 1.5028 | 1.6757 | 1.4269 | 1.0709 | 0.6177 | NA | NA | 0.8096 | 0.7151 | 0.6636 | 0.9430 | 0.4667 | 0.8582 |
| 1-4-b-D-Mannan | 0.8468 | 0.7245 | 0.8973 | 0.9307 | 0.9513 | 0.8873 | 0.8375 | 0.7813 | 0.8012 | 0.8659 | 0.7818 | 0.8092 | 0.9185 | 0.7910 | 0.9380 | 0.8956 | 1.0102 | 1.1263 | 1.0465 | 1.0544 | 1.0218 | 1.8648 |
| 1,4-Bis(2-ethylhexyl) sulfosuccinate | 0.4977 | 0.6753 | 0.2299 | 0.2701 | 0.1976 | 0.5395 | 13.1081 | 1.8755 | 1.7547 | 0.3136 | 0.5260 | 0.1942 | 0.2524 | 0.5241 | 0.7909 | 0.9805 | 0.1806 | 0.2596 | 0.2868 | 0.1675 | 0.4498 | 0.5734 |
| 15-Keto-prostaglandinE2 | 0.7161 | 0.8873 | 0.4887 | 0.3819 | 0.7195 | 0.4487 | 0.6017 | 0.6912 | 0.7958 | 0.6350 | 0.4724 | 1.4587 | 0.4722 | 0.6836 | 0.7688 | 1.1811 | 0.4671 | 0.7389 | 0.4677 | 0.4377 | 0.3956 | 0.6702 |
| 1-(5^-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole | 0.6766 | 0.7432 | 0.7300 | 0.5589 | 0.7962 | 0.5514 | 0.8621 | 1.6984 | 1.4176 | 1.2015 | 1.3136 | 1.4634 | 1.3080 | 1.5961 | NA | NA | NA | NA | NA | NA | NA | 0.6021 |
| 15S-hydroxy,14R-(S-cysteinyl)-5Z,8Z,10E,12E-eicosatetraenoic acid | 0.6433 | 0.6534 | 0.7722 | 0.8852 | 0.6821 | 0.8944 | 0.8601 | 1.0329 | 0.8985 | 1.1277 | 1.3577 | 1.1355 | 1.2742 | 0.9979 | 0.8126 | 0.7953 | 1.0637 | 1.3937 | 0.7278 | 1.0148 | 0.9786 | 1.0134 |
| 1,6-anhydro-N-acetylmuramate | 0.9532 | 0.9466 | 1.2452 | 1.2892 | 1.3283 | 1.1054 | 0.9991 | 0.9307 | 1.0083 | 1.2451 | 1.3110 | 1.2501 | 1.1919 | 0.9501 | 1.1879 | 1.0964 | 1.0411 | 1.0647 | 1.0842 | 1.1365 | 1.1884 | 1.0768 |
| 1-Aminocyclopropane-1-carboxylate | 0.8762 | 0.7500 | 1.0652 | 0.8116 | 0.9328 | 1.0799 | 0.9119 | 0.8955 | 0.8554 | 0.9399 | 0.8361 | 0.8719 | 0.8115 | 0.8084 | 1.8729 | 1.6523 | 1.4380 | 1.5974 | 1.3127 | 1.2742 | 1.6472 | 1.1388 |
| 1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide | 0.9866 | 0.9626 | 0.8381 | 0.8196 | 0.9234 | 1.0308 | 0.9397 | 0.9818 | 0.8991 | 0.8744 | 0.9412 | 0.9254 | 0.9681 | 0.9264 | 1.4013 | 1.4148 | 1.0428 | 1.1053 | 1.1121 | 1.0060 | 1.3449 | 1.0650 |
| 1H-Imidazole-4-ethanamine | 0.8786 | 0.6529 | 1.0960 | 1.0449 | 1.0925 | 1.1549 | 0.9042 | 0.9071 | 0.7384 | 0.9147 | 0.9481 | 0.8438 | 0.9414 | 0.8270 | 1.3626 | 1.3200 | 1.2609 | 1.2744 | 1.2973 | 1.2112 | 1.2753 | 1.1207 |
| 1-(p-butylphenyl)-2,2-dimethyl-4,6-diamino-1,2-dihydro-s-triazine | 0.7985 | 0.7888 | 1.0416 | 1.0848 | 1.0490 | 0.9903 | 0.9628 | 0.7881 | 1.2003 | 1.2944 | 1.2850 | 1.1852 | 1.1582 | 0.7368 | 0.8076 | 0.6872 | 0.8775 | 1.0133 | 0.8643 | 0.9209 | 0.9271 | 0.9544 |
| 2,3,4,5-Tetrahydrodipicolinate | 1.5402 | 1.5427 | 0.9778 | 0.9658 | 1.1092 | 1.0877 | 1.4229 | 1.1948 | 1.3594 | 0.9874 | 0.7446 | 0.8183 | 0.9461 | 1.2558 | 1.3200 | 1.4565 | 1.1557 | 1.2060 | 1.0968 | 0.9722 | 1.1597 | 1.1599 |
| 2,3,6-Trihydroxypyridine | 0.9717 | 0.9570 | 1.8138 | 1.0915 | 1.2809 | 1.2141 | 0.8980 | 1.1183 | 1.1007 | 1.8258 | 0.9396 | 0.7350 | 1.1697 | 0.9942 | 1.2782 | 1.1681 | 1.0057 | 1.1772 | 1.0340 | 1.0240 | 1.2487 | 1.1664 |
| 2^,3^-Cyclic AMP | 0.9523 | 0.9149 | 0.8852 | 0.8538 | 0.7999 | 0.9970 | 1.0064 | 1.0290 | 1.0785 | 0.9288 | 0.8949 | 0.8569 | 1.1060 | 1.0592 | 0.9008 | 0.7757 | 1.1899 | 1.1695 | 0.9515 | 1.0010 | 1.0450 | 0.9591 |
| 2^,3^-Cyclic CMP | 0.9598 | 1.1110 | 0.8249 | 0.9072 | 0.9716 | 0.9562 | 0.9976 | 0.9494 | 1.0592 | 1.0408 | 0.9604 | 0.9627 | 1.0069 | 1.1352 | 0.9786 | 0.9037 | 1.1197 | 1.0184 | 0.8931 | 1.0086 | 0.9609 | 0.9889 |
| 2^,3^-Cyclic UMP | 1.0151 | 1.0927 | 0.9300 | 1.0155 | 1.0231 | 0.9949 | 0.9600 | 0.9360 | 1.0227 | 0.9381 | 0.9572 | 0.9733 | 1.0791 | 0.9274 | 0.8992 | 0.9376 | 1.0753 | 1.0916 | 0.9419 | 0.9181 | 0.9639 | 1.0186 |
| 2-[3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol | 0.9797 | 0.8274 | 1.1440 | 1.1138 | 1.2417 | 1.0087 | 0.8546 | 0.9736 | 1.0007 | 1.0415 | 0.8811 | 0.9867 | 0.9529 | 1.0190 | 0.8892 | 0.8272 | 1.1147 | 0.9852 | 0.8855 | 1.1163 | 0.8962 | 1.0429 |
| 2,4-diacetamido-2,4,6-trideoxy-beta-L-altropyranose | 1.0370 | 1.0581 | 1.0688 | 1.0469 | 1.1055 | 1.1115 | 1.1613 | 0.9197 | 1.0877 | 1.0144 | 1.0103 | 1.0647 | 1.0919 | 1.0373 | 1.1246 | 1.1596 | 1.0349 | 1.0868 | 1.0568 | 1.1100 | 1.1093 | 1.0687 |
| 2,5-Dioxopentanoate | 0.7066 | 0.5515 | 1.2451 | 1.3827 | 1.1343 | 1.4980 | 0.7740 | 0.8494 | 0.6395 | 1.3220 | 1.4784 | 1.3420 | 1.3063 | 1.0023 | 0.5868 | 0.6223 | 1.1207 | 1.2029 | 0.8441 | 1.2225 | 0.8479 | 1.0599 |
| 2,5-Dioxopiperazine | 1.0629 | 0.9270 | 1.2246 | 1.2944 | 1.2505 | 1.1742 | 1.1322 | 0.9004 | 1.0443 | 1.1314 | 1.2664 | 1.1351 | 1.0718 | 0.9859 | 1.1391 | 1.0324 | 1.0392 | 1.0273 | 1.0072 | 1.1881 | 0.9380 | 1.0770 |
| 2-5-Furandicarboxylicacid | 0.2838 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.4355 | 0.2556 | 0.3129 | NA | 0.4916 | 1.7156 |
| 2-6-10-Trimethylundecanoicacid | 1.0270 | 1.0038 | 0.9879 | 1.0704 | 1.0571 | 1.0620 | 1.0612 | 0.8712 | 0.9127 | 1.0091 | 1.1219 | 0.9815 | 0.9440 | 1.0007 | 0.9970 | 0.9781 | 0.9501 | 1.0860 | 1.0806 | 1.1302 | 1.0494 | 0.9614 |
| 2,7-Anhydro-alpha-N-acetylneuraminic acid | 1.1149 | 1.0895 | 0.8819 | 0.9029 | 0.9066 | 0.9613 | 1.0424 | 1.0504 | 1.0588 | 0.8197 | 0.9273 | 0.8361 | 0.9130 | 0.9899 | 1.1513 | 1.1663 | 1.0600 | 1.0997 | 0.9985 | 1.0354 | 1.0915 | 1.0404 |
| 2(alpha-D-Mannosyl)-D-glycerate | 1.0398 | 0.8621 | 0.9008 | 0.9322 | 0.9591 | 1.2102 | 0.9799 | 1.0813 | 0.9014 | 0.9229 | 1.0653 | 0.9444 | 1.0023 | 0.9546 | 1.4204 | 1.5204 | 1.2445 | 1.3285 | 1.4238 | 1.1056 | 1.4401 | 1.0381 |
| 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate | 1.2044 | 1.1828 | 1.0377 | 0.9678 | 1.0857 | 1.1061 | 1.0653 | 1.0790 | 1.1192 | 1.0973 | 0.9647 | 0.9736 | 1.1261 | 1.0487 | 1.3891 | 1.2809 | 1.1908 | 1.1997 | 1.1217 | 1.1037 | 1.3886 | 1.1041 |
| 2-Aminobutan-4-olide | 1.1377 | 1.2550 | 1.2302 | 1.0858 | 1.0316 | 0.9877 | 1.2503 | 1.2440 | 1.1391 | 1.0670 | 1.0197 | 1.0883 | 0.9748 | 1.0324 | 1.1635 | 1.2603 | 0.9519 | 1.0052 | 0.9901 | 0.9993 | 1.1944 | 1.0474 |
| 2-Aminomuconate | 1.1561 | 1.0091 | 1.2385 | 1.0762 | 1.1761 | 1.5322 | 1.0786 | 1.4146 | 1.1639 | 1.0558 | 0.9883 | 0.8803 | 1.0591 | 1.3418 | 0.9518 | 1.0590 | 1.0672 | 0.9474 | 0.9065 | 1.1574 | 1.0139 | 1.1289 |
| 2-C-Methyl-D-erythritol 4-phosphate | 0.9369 | 1.0399 | 0.8306 | 0.7893 | 0.8983 | 0.8403 | 0.8564 | 1.0077 | 1.0753 | 0.8693 | 0.9433 | 0.8113 | 0.9176 | 0.8628 | 1.3039 | 1.1784 | 1.2202 | 1.3683 | 0.9852 | 1.1268 | 1.3844 | 1.0120 |
| 2-C-Methyl-D-erythritol 4-phosphate_1 | 0.5361 | 0.4731 | 1.3457 | 1.2108 | 0.4432 | 1.4056 | 0.4760 | 0.2804 | 0.2950 | 1.1598 | 1.2198 | 1.1239 | 1.2467 | 0.1741 | 1.2138 | 1.0969 | 1.1359 | 1.2737 | 0.9171 | 1.0489 | 1.2887 | 0.7233 |
| 2-Dehydro-3-deoxy-D-galactonate | 1.1289 | 1.1028 | 1.1517 | 0.9797 | 1.1958 | 1.2532 | 1.1799 | 1.1304 | 1.2123 | 0.9740 | 0.9858 | 0.9565 | 1.1290 | 1.0429 | 1.1104 | 1.0914 | 1.0341 | 1.0068 | 0.9324 | 1.0604 | 1.0911 | 1.1658 |
| 2-Deoxy-D-ribose 5-phosphate | 2.0772 | 2.6741 | 0.2242 | NA | 0.6970 | 0.4246 | 1.4352 | 0.6416 | 0.9708 | 0.2288 | NA | NA | 0.5109 | 0.3899 | 2.1773 | 2.2531 | NA | 0.1806 | 0.4882 | NA | 0.9180 | 0.7663 |
| 2-deoxyglucose-6-phosphate | 0.5878 | 0.5637 | 0.8357 | 0.8990 | 1.6842 | 0.9484 | 1.2438 | 0.8712 | 0.8646 | 0.9381 | 0.8236 | 1.2851 | 0.8777 | 2.6351 | 0.5444 | 0.5919 | 1.4585 | 1.5224 | 0.9179 | 1.0904 | 0.6380 | 1.0287 |
| 2-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate | 1.3823 | 1.2055 | 1.2223 | 1.1126 | 1.2026 | 1.0694 | 1.2000 | 1.2154 | 1.2408 | 1.0347 | 1.1514 | 1.2289 | 1.0296 | 1.0178 | 1.1109 | 0.9943 | 1.1062 | 0.9372 | 0.9194 | 0.9931 | 1.0011 | 1.0879 |
| 2-Hydroxy-3-oxoadipate | 1.6001 | 1.9872 | 0.8577 | 0.7934 | 0.8128 | 0.9521 | 1.3278 | 1.2830 | 1.8000 | 1.0113 | 1.2393 | 1.1944 | 0.9860 | 1.4436 | 0.6484 | 0.6397 | 0.7149 | 0.6698 | 0.5203 | 0.7107 | 0.6295 | 0.9952 |
| 2-hydroxy-4-carboxypyrimidine | 0.8812 | 0.4918 | 1.1153 | 0.9308 | 1.0938 | 1.1278 | 0.8408 | 0.8459 | 0.4620 | 0.8248 | 0.8791 | 0.7921 | 0.9775 | 0.7146 | 1.8121 | 2.0776 | 1.6449 | 1.8181 | 1.7558 | 1.3054 | 1.7915 | 1.2842 |
| 2-Hydroxymalonate | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| 2-Isopropylmaleate | 2.2233 | 1.8571 | 0.5633 | 0.6295 | 1.0458 | 0.5437 | 1.5795 | 0.7803 | 0.7904 | NA | NA | 0.3327 | 0.4487 | 0.5566 | 2.7804 | 1.9622 | 0.3765 | 0.7212 | 0.8327 | NA | 1.7804 | 0.9222 |
| 2-Methylbutyroylcarnitine | 0.7878 | 0.6719 | NA | NA | 0.8999 | NA | 0.8926 | 1.0573 | 0.9792 | NA | NA | NA | NA | 0.9682 | 1.3023 | 1.4558 | 1.0266 | 1.0695 | 1.1232 | NA | 1.4777 | 0.7968 |
| 2-Methylcitrate | 0.1841 | NA | NA | NA | 0.2167 | 0.2023 | 0.2569 | 0.2378 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.7742 |
| 2-Octenedioicacid | 1.0269 | 1.0520 | 1.0083 | 0.9828 | 0.9391 | 1.0637 | 1.0490 | 1.0488 | 1.1979 | 1.0818 | 1.1826 | 1.0102 | 1.2350 | 1.1467 | 0.9795 | 1.0681 | 1.1984 | 0.9508 | 1.0569 | 1.1354 | 1.1148 | 1.0728 |
| 2-Oxoadipate | 0.3574 | 0.3551 | 1.0232 | 1.0108 | 0.5748 | 1.3684 | 0.5417 | 0.6605 | 0.8142 | 1.3777 | 1.5122 | 1.4982 | 1.6540 | 0.5902 | 0.1541 | 0.1546 | 0.3277 | 0.2490 | 0.1866 | 0.9969 | 0.1431 | 0.7441 |
| 2-Oxoglutaramate | 1.2268 | 1.1590 | 1.0320 | 1.2000 | 1.1489 | 1.0421 | 1.0386 | 1.0147 | 1.0647 | 1.0034 | 0.9725 | 1.0983 | 1.0390 | 0.9732 | 1.3473 | 1.4829 | 1.0662 | 1.1125 | 1.1393 | 0.9912 | 1.2486 | 1.1595 |
| 2-Oxoglutaramate_1 | 0.8551 | 0.8468 | 1.2744 | 1.1223 | 1.2004 | 1.2374 | 0.9948 | 1.0400 | 1.0318 | 1.1346 | 1.1963 | 1.1510 | 1.1428 | 1.1099 | 0.8468 | 0.8372 | 1.2250 | 1.2127 | 1.1058 | 1.1305 | 1.0400 | 1.0702 |
| 2-Oxoglutarate | 1.0668 | 0.9749 | 4.0205 | 0.4805 | 0.8080 | 1.7175 | 1.3136 | 1.1732 | 1.4393 | 4.4100 | 0.5927 | 0.3885 | 1.6788 | 1.5506 | 1.5240 | 1.3789 | 0.1453 | 0.4575 | 0.8273 | 0.0730 | 1.3474 | 1.3071 |
| 2-Oxohept-3-enedioate | 1.1807 | 1.2305 | 0.9034 | 0.9832 | 0.9872 | 0.9530 | 1.1601 | 0.7627 | 0.8899 | 0.8328 | 0.8575 | 0.7751 | 0.7804 | 0.7476 | 1.6204 | 1.4883 | 1.4209 | 1.4003 | 1.3404 | 1.3231 | 1.5726 | 1.0241 |
| 2-Oxosuccinamate | 1.0709 | 1.1008 | 1.0454 | 1.0257 | 0.9972 | 1.1488 | 1.1697 | 1.0340 | 0.9138 | 0.9485 | 0.9509 | 0.9323 | 1.0277 | 0.9892 | 1.1185 | 1.1282 | 1.0474 | 1.0944 | 0.9727 | 1.0619 | 1.1733 | 1.0632 |
| 2-(sulfomethyl)thiazolidine-4-carboxylate | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| 3,4-Dihydroxyphenylacetate | 1.2852 | 1.9100 | 1.1149 | 0.9688 | 1.3629 | 0.7823 | 1.4300 | 1.5698 | 1.9918 | 1.0350 | 1.1928 | 1.1203 | 0.7898 | 1.3742 | 0.5031 | 0.4450 | 0.3882 | 0.4063 | 0.3319 | 0.4944 | 0.4380 | 0.8380 |
| 3-(4-Hydroxyphenyl)lactate | 1.4852 | 1.3341 | 0.7822 | 0.8381 | 1.7044 | 0.7593 | 1.2880 | 1.8407 | 1.6404 | 0.9690 | 0.6173 | 0.7820 | 0.7020 | 1.4532 | 0.8879 | 1.0143 | 0.9078 | 1.2099 | 0.9825 | 0.7201 | 1.0111 | 1.0599 |
| 3-(4-Hydroxyphenyl)pyruvate | 0.5047 | 0.8760 | 3.3973 | 1.9878 | 1.2594 | 0.3803 | 0.6054 | 0.8691 | 1.2526 | 3.6052 | 0.3869 | 1.5606 | 0.4541 | 1.1269 | 0.5069 | 0.8408 | 0.2794 | 0.7931 | 0.8104 | 0.0898 | 0.4179 | 0.9979 |
| 3^,5^-Cyclic GMP | 1.0020 | 0.9790 | 0.8983 | 0.8360 | 0.8881 | 1.0479 | 0.9918 | 1.0185 | 1.1012 | 0.9745 | 1.0751 | 1.0227 | 1.0414 | 0.9812 | 0.9984 | 0.9034 | 1.0565 | 1.0092 | 0.9320 | 1.0245 | 1.0544 | 1.0068 |
| 3,6-Dideoxy-L-galactose | 1.3034 | 1.3191 | 1.0421 | 1.0706 | 1.2422 | 1.1562 | 1.3765 | 1.5773 | 1.3318 | 1.0220 | 1.0876 | 1.1347 | 1.0855 | 1.1537 | 1.0535 | 1.0680 | 1.0323 | 0.9872 | 0.8113 | 0.8938 | 0.9977 | 1.1373 |
| 3^-AMP | 1.1708 | 1.4258 | 0.7317 | 0.7476 | 0.8438 | 0.8427 | 1.1012 | 1.0948 | 1.1932 | 0.8584 | 0.8718 | 0.7802 | 0.9486 | 1.0533 | 1.5620 | 1.8094 | 1.2855 | 1.3552 | 1.2936 | 0.9712 | 1.4003 | 1.1235 |
| 3-Cyano-L-alanine | 1.1799 | 0.9609 | 1.2191 | 1.2426 | 1.3016 | 1.1474 | 0.9585 | 1.0905 | 0.9018 | 1.1222 | 1.1229 | 1.1044 | 1.0447 | 0.9757 | 1.3626 | 1.1073 | 1.0879 | 1.0420 | 0.9148 | 1.1254 | 1.1203 | 1.0657 |
| 3-Dehydrocarnitine | 1.0675 | 0.7762 | 0.9196 | 0.8639 | 1.1349 | 1.0003 | 0.8724 | 1.5180 | 1.6202 | 0.9984 | 0.7777 | 1.2449 | 1.3166 | 0.9812 | 1.6102 | 1.3990 | 1.0014 | 1.2057 | 1.2104 | 0.8652 | 1.4785 | 1.2383 |
| 3-Dehydro-L-gulonate | 1.8961 | 2.3035 | 0.9107 | 0.8394 | 1.8801 | 0.9213 | 2.0168 | 1.5977 | 1.6021 | 0.8561 | 0.8397 | 0.9257 | 0.9776 | 2.0921 | 0.7611 | 0.7362 | 0.7347 | 0.7604 | 0.6327 | 0.9045 | 0.7300 | 0.9926 |
| 3-Dehydroquinate | 1.0575 | 1.2871 | 1.0194 | 0.8979 | 1.0578 | 0.9817 | 1.0525 | 0.9495 | 0.9589 | 1.0043 | 1.0355 | 1.1122 | 1.0788 | 1.0672 | 1.2791 | 1.1380 | 1.1482 | 1.2099 | 1.2130 | 1.0455 | 1.1436 | 1.0971 |
| 3^-Demethoxypiplartine | 1.0639 | 1.0355 | 1.0608 | 1.0868 | 0.9956 | 1.2218 | 1.0573 | 1.2156 | 1.1839 | 1.2450 | 1.1198 | 1.0572 | 0.9249 | 0.9976 | 1.0315 | 1.0997 | 0.9221 | 0.7980 | 0.7998 | 0.9850 | 0.8234 | 1.0983 |
| 3-Deoxy-D-manno-octulosonate | 2.8171 | 2.8973 | 0.5076 | 0.2709 | 1.4415 | 0.3752 | 2.1384 | 2.3560 | 2.2713 | 0.5267 | 0.1817 | 0.1900 | 0.3402 | 0.8741 | 4.0663 | 3.2349 | 0.4560 | 0.7040 | 1.2195 | 0.1849 | 2.1289 | 1.3928 |
| 3-Ethylmalate | 0.9609 | 0.9776 | 1.0879 | 1.1030 | 1.0758 | 1.0803 | 1.0456 | 0.9670 | 1.0199 | 1.1498 | 1.1710 | 1.1256 | 1.1513 | 1.0531 | 1.0259 | 0.9730 | 1.0803 | 1.0697 | 1.0304 | 1.0803 | 1.0531 | 1.2888 |
| 3-Hydroxy-2-methylpyridine-4,5-dicarboxylate | 0.8763 | 0.7588 | 1.0754 | 1.1781 | 1.1123 | 1.1164 | 0.8103 | 0.9537 | 0.7789 | 1.0238 | 1.2237 | 1.0304 | 0.8516 | 1.0004 | 1.5947 | 1.2014 | 1.1821 | 1.3495 | 1.1663 | 1.2743 | 1.2060 | 1.0760 |
| 3-Hydroxybenzaldehyde | 0.8271 | 0.6370 | 1.7726 | 1.0943 | 0.8827 | 1.3071 | 0.7996 | 0.8032 | 0.6179 | 1.6646 | 1.4751 | 0.9286 | 1.0094 | 0.8615 | 0.9146 | 0.7505 | 0.8587 | 0.8252 | 0.8788 | 0.9889 | 0.7769 | 0.8513 |
| 3-Ketosucrose | 0.8877 | 0.7422 | 0.7468 | 0.7931 | 0.9287 | 0.8750 | 1.0651 | 0.8848 | 0.5485 | 0.6222 | 0.4900 | 0.4357 | 0.7765 | 0.9856 | 1.6993 | 1.5455 | 1.2370 | 1.5507 | 1.3934 | 1.1458 | 1.2704 | 1.0205 |
| 3-Methyl-2-oxobutanoic acid | 1.0415 | 1.0318 | 1.1866 | 1.1898 | 1.1479 | 1.2156 | 1.0350 | 0.9641 | 1.0221 | 1.1350 | 1.1608 | 1.1479 | 1.0769 | 0.9705 | 1.0737 | 1.0447 | 1.1060 | 1.0544 | 1.0157 | 1.1124 | 1.1350 | 1.0823 |
| 3-Methylbutanoic acid | 1.3725 | 1.6973 | 0.1971 | 0.2436 | 0.4524 | 0.2725 | 0.7359 | 1.4622 | 1.7219 | 0.2246 | 0.2023 | 0.2616 | 0.3099 | 0.6078 | 4.9738 | 4.3236 | 0.4647 | 1.1944 | 1.6906 | 0.4082 | 2.7628 | 1.2117 |
| 3-Oxododecanoic acid | 1.7437 | 1.8268 | 0.7490 | 0.7623 | 1.6916 | 0.5736 | 2.0384 | 1.9150 | 1.6306 | 0.6470 | 0.4759 | 0.7285 | 0.6441 | 1.7506 | 1.1239 | 1.1302 | 1.0872 | 0.7816 | 0.8373 | 0.8239 | 0.8509 | 1.0664 |
| 3-Oxohexobarbital | 0.9456 | 0.9376 | 1.0623 | 1.0865 | 1.0825 | 1.0945 | 0.9738 | 0.9255 | 0.9094 | 1.0100 | 1.0221 | 1.0261 | 0.9658 | 0.8933 | 1.0342 | 1.0141 | 0.9819 | 1.0221 | 0.9537 | 1.0825 | 1.0261 | 1.0141 |
| 3-Phospho-D-glycerate | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| 3-Propylmalate | 1.4122 | 1.4816 | 0.7525 | 0.6812 | 1.1143 | 0.7208 | 1.2780 | 1.3425 | 1.0626 | 0.7118 | 0.7107 | 0.7071 | 0.7538 | 1.0651 | 2.7777 | 2.6437 | 0.8499 | 0.9307 | 1.0304 | 0.7968 | 1.6650 | 1.1964 |
| 3^-Sialyllactose | 0.9938 | 1.0115 | 0.8788 | 1.0565 | 0.9312 | 1.0557 | 0.9949 | 0.9736 | 1.0233 | 1.0061 | 1.0709 | 1.0466 | 1.0285 | 0.8694 | 1.1181 | 1.1712 | 1.0283 | 1.0946 | 0.8773 | 1.0263 | 1.1581 | 1.0274 |
| 3-sulfopropanoate | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.1461 |
| 4-Coumarate | 0.7202 | 1.1355 | 2.1196 | 1.3535 | 1.5988 | 0.3950 | 0.8912 | 1.2347 | 2.0490 | 2.7788 | 0.4043 | 1.1769 | 0.3730 | 1.5394 | 1.0617 | 1.3632 | 0.3478 | 1.4503 | 1.9338 | 0.2166 | 0.9811 | 1.0620 |
| 4-(Dimethylamino)azobenzene | 1.0705 | 1.3547 | 1.2212 | 1.2054 | 1.2913 | 1.1126 | 1.0367 | 1.1709 | 1.5394 | 1.3822 | 1.3934 | 1.3186 | 1.1199 | 1.0240 | 0.5215 | 0.5547 | 0.4953 | 0.4684 | 0.4232 | 0.7582 | 0.4559 | 0.9694 |
| 4-Hydroxy-4-methylglutamate | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| 4-Hydroxybenzaldehyde | 0.6938 | 0.4302 | 1.7578 | 1.0905 | 0.7244 | 1.1687 | 0.7113 | 0.6503 | 0.4607 | 1.7541 | 1.6062 | 0.7668 | 0.9603 | 0.6448 | 1.1737 | 0.7177 | 0.7537 | 0.9057 | 0.8507 | 1.0860 | 0.8589 | 0.7325 |
| 4-Hydroxybenzoate | 1.2860 | 1.0078 | 0.6820 | 0.9036 | 1.2981 | 1.0304 | 1.1824 | 1.2762 | 1.1095 | 0.5552 | 0.4093 | 0.9479 | 1.0413 | 0.9399 | 2.1724 | 2.2611 | 1.5454 | 1.7109 | 1.6481 | 1.3503 | 2.0298 | 1.4076 |
| 4-Hydroxybutanoic acid | 1.6652 | 1.8046 | 0.1610 | 0.3713 | 1.7057 | 0.2506 | 1.6751 | 2.7047 | 2.4994 | 0.1686 | 0.1433 | 0.3484 | 0.2638 | 2.4537 | 1.9197 | 2.0021 | 1.9582 | 2.2440 | 2.0386 | 0.5685 | 2.1820 | 1.3653 |
| 4-Hydroxyhexan-3-one | 1.0728 | 0.7865 | 1.1925 | 1.0269 | 0.8958 | 1.1741 | 1.0781 | 1.4694 | 0.9049 | 1.1043 | 1.1357 | 1.2533 | 1.2880 | 1.4623 | 1.4742 | 0.8487 | 1.3204 | 1.2762 | 1.1354 | 1.2780 | 1.1693 | 0.8325 |
| 4-Hydroxyphenylacetaldehyde | 1.0666 | 1.0982 | 0.8004 | 0.9889 | 0.9137 | 0.7527 | 0.9938 | 1.3990 | 1.7330 | 0.7125 | 0.9341 | 1.1170 | 0.5687 | 1.0031 | 1.3923 | 1.1384 | 0.9266 | 1.2770 | 1.0870 | 0.7155 | 1.2152 | 1.0036 |
| 4-Imidazolone-5-acetate | 0.8784 | 0.8428 | 0.7124 | 0.9663 | 0.9438 | 0.7984 | 0.9490 | 0.9493 | 0.7424 | 0.9092 | 0.9597 | 0.8506 | 0.8870 | 0.8778 | 1.5101 | 1.4976 | 1.6169 | 1.6175 | 1.6604 | 1.3094 | 1.4087 | 1.0521 |
| 4-Maleylacetoacetate | 0.8070 | NA | 0.6430 | 0.5328 | 0.6652 | 0.7860 | 0.7477 | 0.8369 | NA | 0.6751 | 0.5782 | 0.5177 | 0.7087 | 0.8247 | 1.6353 | 1.4770 | 1.6159 | 1.4437 | 1.2421 | 1.0378 | 1.4011 | 1.0092 |
| 4-Methyl-2-oxopentanoate | 2.4863 | 2.6272 | 1.4066 | 0.8458 | 1.2176 | 0.7288 | 2.0814 | 2.2883 | 2.4293 | 1.6315 | 0.8308 | 0.7438 | 0.8158 | 1.5895 | 1.4246 | 1.8955 | 0.1958 | 0.2387 | 0.3110 | 0.3341 | 0.6529 | 1.2057 |
| 4-Methylene-L-glutamate | 0.9874 | 0.9058 | 0.9758 | 0.9313 | 1.1290 | 0.9616 | 0.9998 | 1.0169 | 1.1441 | 1.0200 | 0.9963 | 0.9600 | 0.9872 | 1.0092 | 1.4113 | 1.3478 | 1.2650 | 1.3452 | 1.2110 | 1.0293 | 1.3795 | 1.4063 |
| 4-Nitrophenol-alpha-D-galactopyranoside | 0.9612 | 0.9039 | 0.9128 | 1.1015 | 1.0489 | 0.9155 | 0.9747 | 1.0078 | 0.9921 | 1.1251 | 1.2446 | 1.1257 | 0.9208 | 1.0158 | 0.9715 | 0.9676 | 1.0458 | 1.1523 | 0.9001 | 0.9721 | 0.9614 | 1.0448 |
| 4-Oxoglutaramate | 1.0899 | 1.0844 | 1.0941 | 1.0658 | 1.0843 | 1.1350 | 1.1450 | 1.1350 | 1.1119 | 0.9614 | 1.0026 | 0.9513 | 1.0397 | 1.1042 | 1.1573 | 1.1959 | 1.1293 | 1.1902 | 1.0942 | 1.1617 | 1.2041 | 1.1126 |
| 4-oxo-N-acetylneuraminate | 0.8213 | 0.7939 | 1.0812 | 0.8720 | 0.8696 | 0.8788 | 0.8467 | 1.0331 | 1.2674 | 0.7977 | 0.7633 | 0.8170 | 0.7393 | 0.8825 | 1.2937 | 1.2323 | 1.0219 | 1.1909 | 1.1884 | 0.9805 | 1.3976 | 1.1233 |
| 4-Oxoproline | 1.0173 | 1.0129 | 1.0834 | 1.0641 | 1.0344 | 1.0938 | 0.9995 | 1.0485 | 1.0663 | 1.0968 | 1.1540 | 1.1079 | 1.0946 | 1.0790 | 1.0634 | 1.0767 | 1.0968 | 1.1272 | 1.0270 | 1.1369 | 1.1161 | 1.0837 |
| 5,10-Methylenetetrahydrofolate | 0.9300 | 1.0237 | 0.7973 | 0.9017 | 0.8340 | 0.9447 | 0.9423 | 0.9289 | 1.0000 | 0.9094 | 0.8809 | 0.9700 | 0.7951 | 0.9194 | 1.2373 | 1.1462 | 0.9911 | 1.0002 | 1.0510 | 1.2598 | 1.0851 | 0.9800 |
| 5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline | 0.9716 | 1.0501 | 0.9864 | 0.8754 | 1.2097 | 0.9969 | 1.0883 | 1.0390 | 1.2402 | 1.0985 | 1.1650 | 1.0165 | 0.8591 | 1.3320 | 0.9385 | 0.8513 | 0.7000 | 0.9010 | 0.8861 | 0.8958 | 0.9936 | 1.0286 |
| 5,6-Dihydroxyindole-2-carboxylate | 0.7627 | 0.8168 | 0.9376 | 0.8880 | 0.9033 | 0.8747 | 0.7993 | 0.7299 | 0.7880 | 0.8620 | 0.8653 | 0.8351 | 0.8197 | 0.7025 | 0.9136 | 0.8458 | 0.8950 | 0.8450 | 0.8439 | 0.9081 | 0.9332 | 2.4334 |
| 5beta-Cyprinolsulfate | 0.9944 | 0.8542 | 0.9480 | 0.8637 | 0.9445 | 1.1630 | 1.0721 | 0.8911 | 0.8626 | 1.1954 | 0.9243 | 1.1179 | 0.9213 | 0.7710 | 0.9850 | 0.7769 | 0.9602 | 0.9265 | 0.7059 | 1.0151 | 0.7219 | 0.9596 |
| 5^-Dehydroadenosine | 0.8402 | 0.9315 | 1.4567 | 1.2133 | 0.5629 | 0.5486 | 0.8167 | 1.2871 | 1.1475 | 1.5177 | 2.3375 | 1.8697 | 0.6024 | 0.9764 | 1.0547 | 1.0330 | 0.3186 | 0.5464 | 0.6233 | 0.4280 | 0.9167 | 0.9904 |
| 5-Hydroxy-N-formylkynurenine | 0.8861 | 0.8228 | 1.0314 | 1.0699 | 1.0688 | 1.0084 | 0.7451 | 0.9330 | 0.8471 | 0.9893 | 1.0432 | 0.9681 | 0.9807 | 0.9099 | 1.2511 | 1.2355 | 1.1238 | 1.2422 | 1.1189 | 1.0173 | 1.2078 | 1.0283 |
| 5-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde | 1.0970 | 0.8954 | 1.0340 | 1.0790 | 1.0472 | 1.5367 | 1.0658 | 1.1955 | 1.0048 | 0.9948 | 0.8491 | 0.9023 | 1.1103 | 1.1143 | 0.8792 | 0.7999 | 0.8237 | 0.7167 | 0.6873 | 0.9410 | 0.7782 | 1.0634 |
| 5-L-Glutamylglycine | 0.7719 | 0.6889 | 1.2959 | 1.2631 | 1.2206 | 1.1589 | 0.9773 | 0.9960 | 1.0431 | 1.2103 | 1.3022 | 1.2036 | 1.1738 | 0.9937 | 0.8031 | 0.6639 | 1.1758 | 1.2185 | 1.0500 | 1.1412 | 1.0519 | 1.0978 |
| 5-Methylcytidine | 0.9777 | 0.9922 | 1.0331 | 0.9925 | 1.0401 | 1.1340 | 1.0802 | 1.0657 | 1.0304 | 1.0617 | 0.9986 | 1.0469 | 1.1297 | 1.1178 | 0.6006 | 0.6510 | 0.9634 | 0.8917 | 0.7174 | 1.0810 | 0.7290 | 0.9654 |
| 5-Oxopentanoate | 1.3994 | 1.4537 | 1.1432 | 1.0552 | 1.2153 | 1.0386 | 1.2588 | 1.4276 | 1.3055 | 1.2579 | 1.0485 | 1.0423 | 1.0519 | 1.0216 | 1.3710 | 1.2481 | 0.8306 | 0.8577 | 0.7990 | 0.9099 | 0.9232 | 1.0774 |
| 5^-Phosphoribosyl-N-formylglycinamide | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| 6-Acetamido-2-oxohexanoate | 0.8207 | 0.6445 | 1.5724 | 1.2305 | 0.7254 | 0.8834 | 0.8240 | 0.7362 | 0.7585 | 0.8607 | 0.8175 | 0.7467 | 0.9127 | 0.8203 | 1.1215 | 0.9697 | 1.0576 | 1.5338 | 1.2611 | 1.4032 | 1.0813 | 1.3077 |
| 6-Acetyl-D-glucose | 0.8301 | 0.9529 | 1.0559 | 0.9981 | 1.0613 | 1.0926 | 1.1031 | 1.0150 | 0.9619 | 1.0899 | 1.0920 | 1.1991 | 1.1085 | 1.0644 | 1.0514 | 1.1254 | 1.0180 | 1.0532 | 1.0978 | 1.0184 | 0.9888 | 1.2210 |
| 6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate | 0.5016 | 0.3735 | 1.1869 | 1.2066 | 1.1342 | 1.1112 | 0.9624 | 0.7930 | 0.6643 | 0.9909 | 0.9147 | 1.0344 | 1.2255 | 0.9161 | 0.7992 | 0.5922 | 1.4090 | 1.5666 | 1.4990 | 1.2849 | 1.3535 | 1.0690 |
| 6-Bromo-5E,9Z,13Z,24Z-heptacosatetraenoic acid | 1.1967 | 1.5224 | 0.9416 | 0.9456 | 0.9536 | 0.9261 | 1.0885 | 0.7641 | 1.3068 | 1.0404 | 0.8491 | 0.9230 | 0.8848 | 1.1097 | 1.2616 | 1.1322 | 0.9594 | 1.0296 | 0.9169 | 0.8830 | 1.1458 | 1.0595 |
| 6-oxo-1,4,5,6-tetrahydronicotinate | 1.3444 | 1.2609 | 1.1356 | 0.9149 | 1.0406 | 1.1410 | 1.3676 | 1.2325 | 1.1951 | 1.0993 | 1.0730 | 1.1483 | 0.9343 | 1.2064 | 1.0309 | 0.9182 | 0.8942 | 0.9251 | 0.8898 | 0.9671 | 0.8601 | 1.0802 |
| [6]-Paradol | 0.9002 | 1.0244 | 1.0916 | 1.0606 | 0.8346 | 1.1460 | 1.2798 | 1.4240 | 1.1002 | 0.9005 | 0.9023 | 1.1763 | 1.4896 | 1.3068 | 1.1411 | 1.0375 | 1.2072 | 0.8866 | 0.9608 | 1.0756 | 1.9757 | 1.0394 |
| 6-Phospho-D-gluconate | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| 7-Deoxypancratistatin | 1.1580 | 1.0274 | 1.0172 | 1.0538 | 1.1965 | 1.1380 | 1.0701 | 1.1693 | 1.1276 | 1.0147 | 1.1077 | 0.9735 | 1.0880 | 1.0105 | 0.8486 | 0.7882 | 0.9308 | 0.9140 | 0.7473 | 0.9339 | 0.8098 | 0.9308 |
| 7E,9E,11-Dodecatrienyl acetate | 1.4505 | 0.8864 | 1.3467 | 1.1945 | 1.1114 | 1.0820 | 1.0464 | 1.3465 | 1.0730 | 1.3511 | 0.9094 | 1.5276 | 0.9976 | 1.5469 | 0.9863 | 0.7724 | 1.4883 | 0.9972 | 0.9342 | 1.0041 | 1.2776 | 0.8922 |
| 8-Hydroxy-7-methylguanine | 1.2823 | 1.4668 | NA | NA | 0.7459 | NA | 1.0685 | 0.9411 | 1.1285 | NA | NA | NA | NA | 0.7455 | 1.8628 | 2.3701 | 0.5554 | 0.7273 | 0.9657 | NA | 1.5837 | 0.8147 |
| 9-methylthiononylhydroximoyl-cysteinylglycine | NA | 0.2502 | 1.0742 | 1.0536 | 1.0072 | 1.2697 | 0.7872 | 0.7229 | 0.4596 | 1.2128 | 1.2447 | 1.1063 | 1.2188 | 0.9468 | NA | NA | 0.9681 | 0.8505 | 0.6320 | 1.1163 | 0.7443 | 0.9606 |
| 9-Oxononanoic acid | 0.9557 | 1.1030 | 0.9936 | 0.9583 | 1.2526 | 0.8935 | 1.0772 | 0.8469 | 0.9082 | 0.8535 | 0.7887 | 0.9331 | 1.0481 | 0.9164 | 1.2362 | 1.2528 | 0.8121 | 1.5141 | 0.9955 | 1.6747 | 1.7651 | 0.8991 |
| Adrenochrome | 0.9491 | 1.1914 | 1.1768 | 1.0793 | 0.9636 | 1.1872 | 1.0251 | 1.3041 | 0.9487 | 1.1582 | 1.1407 | 1.1846 | 1.0877 | 0.9633 | 1.0186 | 1.0614 | 1.0378 | 0.9638 | 1.0556 | 1.1226 | 1.0057 | 1.1379 |
| A-Ketoglutaricacidoxime | 1.1882 | 1.2226 | 1.0174 | 1.0277 | 1.0155 | 1.0828 | 1.0820 | 1.1468 | 1.1784 | 1.0052 | 1.0746 | 1.1535 | 0.9673 | 1.0993 | 1.1267 | 1.2723 | 0.9188 | 1.0135 | 1.0980 | 1.2102 | 1.1563 | 1.0934 |
| Ala-Ala-Asn-Asp | 1.2445 | 1.5321 | 0.8870 | 0.8622 | 0.9446 | 0.6881 | 1.1025 | 1.1042 | 1.4177 | 1.0357 | 1.1177 | 1.0516 | 1.1443 | 1.1906 | 0.7143 | 0.8600 | 0.6524 | 0.6615 | 0.7154 | 0.7576 | 0.7769 | 0.9876 |
| Ala-Ala-Asp-His | 1.6730 | 1.7934 | 0.6508 | 0.6113 | 0.5398 | 0.4583 | 1.0739 | 1.0711 | 1.2556 | 0.6907 | 0.2046 | 0.4652 | 0.4983 | 0.9935 | 2.2596 | 2.1590 | 0.2544 | 1.0940 | 1.6588 | 0.3801 | 1.9527 | 1.0499 |
| Ala-Ala-Gly | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.1261 | 0.4980 | 0.6193 | 0.7216 | NA | NA | NA | NA | 1.2179 | NA | 1.1620 | 1.1544 |
| Ala-Ala-Pro-His | 0.7422 | 0.6380 | 1.3054 | 1.2666 | 1.2337 | 1.2378 | 0.9275 | 1.0134 | 0.8586 | 1.2667 | 1.2687 | 1.2022 | 1.1345 | 0.9898 | 0.5735 | 0.4924 | 1.0018 | 0.8021 | 0.6574 | 1.0547 | 0.6236 | 0.9523 |
| Ala-Arg-Arg-His | 0.6773 | 0.5309 | 1.4288 | 1.4885 | 1.4446 | 1.1852 | 0.8939 | 0.7406 | 0.7643 | 1.4405 | 1.4050 | 1.2655 | 1.1363 | 0.9092 | 0.8538 | 0.7382 | 1.0231 | 0.9783 | 0.9849 | 1.2411 | 0.9294 | 0.1511 |
| Ala-Asn | 0.9702 | 0.8356 | 0.9971 | 1.0474 | 1.2104 | 1.0057 | 1.0083 | 1.0360 | 1.1367 | 1.1053 | 1.3376 | 1.2624 | 1.1183 | 0.9095 | 1.1396 | 0.8634 | 1.0403 | 1.0982 | 1.0299 | 1.2186 | 0.9867 | 1.0065 |
| Ala-Asn-Asp-Gly | 1.2263 | 1.5370 | 0.8099 | 0.8526 | 0.9185 | 0.7277 | 1.2026 | 1.1538 | 1.4898 | 0.9878 | 1.2043 | 1.1845 | 1.0854 | 1.1793 | 0.8101 | 0.8285 | 0.7039 | 0.7043 | 0.6660 | 0.8180 | 0.6947 | 0.9982 |
| Ala-Asn-Gln-Ser | 0.6948 | 0.7538 | 1.4244 | 1.3501 | 1.1462 | 1.3361 | 0.8696 | 0.6815 | 0.7125 | 1.4089 | 1.2894 | 1.2505 | 1.2124 | 0.7959 | 0.2283 | 0.2636 | 0.8863 | 0.8238 | 0.5745 | 1.1497 | 0.4838 | 0.9013 |
| Ala-Asn-Gly-Ser | 0.4526 | 0.4630 | 1.0631 | 1.1714 | 1.0051 | 1.1206 | 0.8144 | 0.6446 | 0.6839 | 1.0754 | 1.1513 | 1.1593 | 1.4344 | 0.9604 | NA | NA | 1.2907 | 1.0186 | 0.5414 | 1.1888 | 0.2841 | 0.8492 |
| Ala-Asp | 1.2233 | 1.1723 | 0.9148 | 1.0293 | 1.0624 | 1.0877 | 1.0733 | 1.0137 | 1.0024 | 0.9766 | 1.0142 | 1.1407 | 1.1793 | 1.0340 | 1.2233 | 1.4170 | 1.2179 | 1.1653 | 1.1796 | 1.1366 | 1.2344 | 1.1443 |
| Ala-Asp-Pro | 0.9623 | 1.1817 | 1.1556 | 0.9685 | 1.1331 | 0.9043 | 1.1355 | 1.0108 | 0.9747 | 1.0056 | 0.9515 | 0.9144 | 1.0556 | 0.9228 | 0.9838 | 0.9083 | 0.8663 | 1.0385 | 0.8744 | 1.0984 | 1.1343 | 1.0417 |
| Ala-Asp-Ser | 0.9863 | 0.9973 | 1.0185 | 1.0127 | 1.0417 | 0.8863 | 0.9180 | 1.1284 | 0.9992 | 1.0788 | 1.0718 | 1.1154 | 0.9691 | 0.9850 | 1.0698 | 1.0101 | 0.8669 | 0.9439 | 0.8182 | 0.8838 | 0.8616 | 1.1646 |
| Ala-Asp-Ser-Arg | 0.6794 | 0.8349 | 1.1952 | 1.3652 | 1.3458 | 1.0733 | 1.0601 | 0.9793 | 0.8826 | 1.2655 | 1.4212 | 1.3364 | 1.1624 | 1.0110 | 0.9100 | 0.7020 | 1.0972 | 0.8997 | 0.8106 | 0.9981 | 0.9713 | 0.2111 |
| Ala-Gln-Gln-Ser | 0.5909 | 0.4994 | 1.3317 | 1.2840 | 1.1464 | 1.3510 | 0.8159 | 0.8084 | 0.7087 | 1.2060 | 1.2975 | 1.2879 | 1.1962 | 0.9081 | 0.4171 | 0.3364 | 1.0910 | 0.9001 | 0.6914 | 1.3035 | 0.5831 | 0.9306 |
| Ala-Glu-Ala-Ile | 1.9178 | 2.1200 | 1.0690 | 1.0053 | 1.1283 | 0.8570 | 1.4849 | 1.1098 | 1.3067 | 1.1644 | 0.8836 | 0.9973 | 0.7331 | 0.7527 | 0.8271 | 0.8947 | 0.8160 | 0.7317 | 0.7846 | 0.8287 | 0.9540 | 0.9248 |
| Ala-Glu-Asn-Ile | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0005 |
| Ala-Glu-Asp-Ile | 0.7394 | 0.6061 | 1.1610 | 1.1695 | 1.2811 | 1.0707 | 0.8898 | 0.9888 | 0.9680 | 1.1057 | 1.1874 | 1.0098 | 1.1204 | 0.9370 | 0.7054 | 0.4912 | 1.0215 | 1.0849 | 0.7270 | 1.0441 | 0.8608 | 0.9719 |
| Ala-Glu-Glu-Gly | NA | 0.8655 | NA | NA | NA | NA | NA | 0.7864 | 0.6978 | 0.8678 | 1.1395 | 0.6714 | 0.8605 | NA | NA | NA | NA | NA | NA | NA | NA | 1.6164 |
| Ala-Glu-Glu-Met | 1.2374 | 1.1257 | NA | NA | 0.7456 | NA | 1.0540 | 1.1372 | 1.4110 | NA | NA | NA | NA | 0.9752 | 1.1017 | 1.0769 | 0.6532 | 0.9173 | 1.0869 | NA | 1.2847 | 0.7311 |
| Ala-Glu-Glu-Tyr | 0.8287 | 0.8547 | 0.9798 | 0.9414 | 1.0925 | 1.1253 | 1.0087 | 1.0045 | 0.9366 | 1.0828 | 0.9539 | 0.9817 | 1.0601 | 1.0581 | 0.7337 | 0.7159 | 1.1117 | 1.0137 | 0.8483 | 1.0651 | 0.7632 | 0.9577 |
| Ala-Glu-Ile-Ser | 0.5834 | 0.5053 | 1.3542 | 1.3393 | 1.1899 | 1.4399 | 0.7540 | 0.7388 | 0.6039 | 1.2826 | 1.2738 | 1.3179 | 1.1449 | 0.8030 | 0.3942 | 0.3813 | 1.2152 | 0.9282 | 0.6559 | 1.2865 | 0.5044 | 0.8907 |
| Ala-Glu-Ile-Thr | 0.9222 | 1.0287 | 1.1020 | 1.1113 | 1.0141 | 1.0986 | 0.8803 | 0.8688 | 1.0400 | 1.1507 | 1.1458 | 1.2542 | 1.1041 | 0.8147 | 0.9880 | 0.9224 | 1.0047 | 0.9463 | 0.8342 | 0.8447 | 1.0246 | 0.9546 |
| Ala-Glu-Ile-Tyr | 0.7324 | 0.6708 | 1.3952 | 1.2756 | 1.3484 | 1.0477 | 0.8078 | 0.7640 | 0.8996 | 1.4191 | 1.3114 | 1.2401 | 0.9869 | 0.9168 | 0.6827 | 0.6180 | 0.9057 | 0.9045 | 0.8475 | 1.0141 | 0.8987 | 0.9841 |
| Ala-Gly-Arg | NA | NA | 1.1789 | 1.0811 | 0.7487 | 1.1191 | 0.3772 | 0.5370 | 0.3845 | 1.3106 | 1.1599 | 1.2517 | 1.1427 | 0.9142 | NA | NA | 0.4864 | NA | NA | 1.0176 | NA | 0.9915 |
| Ala-Gly-Gly | 1.1742 | 1.1970 | 0.8701 | 0.9385 | 0.8777 | 1.0372 | 0.9986 | 0.9660 | 0.9287 | 0.9068 | 0.9407 | 0.8298 | 0.8652 | 0.8640 | 1.2457 | 1.3652 | 1.0655 | 1.1508 | 1.0327 | 1.1864 | 1.1150 | 0.9254 |
| Ala-Gly-Ser | 2.2482 | 2.4123 | 0.6695 | 0.6745 | 0.7105 | 0.7160 | 1.0998 | 1.2371 | 1.8471 | 0.6651 | 0.6876 | 0.6756 | 0.6684 | 0.7805 | 2.1549 | 2.3455 | 0.6807 | 0.7308 | 0.7539 | 0.6369 | 1.1559 | 0.9145 |
| Ala-Gly-Tyr | 0.9070 | 0.8305 | 0.9842 | 0.8699 | 0.9820 | 0.9876 | 1.1100 | 0.8090 | 0.7170 | 0.7288 | 0.6981 | 0.6871 | 0.6619 | 0.8341 | 1.3746 | 1.2501 | 1.6430 | 1.6610 | 1.5020 | 1.5379 | 1.7000 | 0.3092 |
| Ala-Leu-Ala-Asp | 0.6962 | 0.5574 | 1.0981 | 1.1127 | 0.9805 | 1.0200 | 0.8734 | 0.9103 | 0.8930 | 1.2338 | 1.2118 | 1.2377 | 1.1028 | 1.0826 | 0.6417 | 0.5012 | 1.0486 | 1.1388 | 0.9487 | 1.0259 | 0.9858 | 1.0494 |
| Ala-Leu-Asn-Pro | 1.2507 | 1.1367 | 0.6227 | 0.6972 | 1.0272 | 0.7321 | 1.1948 | 1.3707 | 1.2974 | 0.7803 | 0.7568 | 0.7567 | 0.8526 | 1.1372 | 1.4993 | 1.4107 | 1.0998 | 1.4326 | 1.4173 | 0.7145 | 1.6305 | 1.1334 |
| Ala-Leu-Asn-Ser | 0.9845 | 1.0388 | 0.9841 | 0.8940 | 1.1054 | 1.0283 | 0.9271 | 0.9629 | 1.0439 | 0.8955 | 1.0111 | 1.0301 | 0.9778 | 0.9866 | 0.9714 | 0.9730 | 1.0886 | 0.9892 | 0.8499 | 1.0125 | 0.9088 | 1.1089 |
| Ala-Leu-Asp-Asp | 1.0104 | 1.0193 | 0.9471 | 1.0324 | 1.0389 | 0.8716 | 1.0244 | 0.9330 | 1.0693 | 0.9704 | 1.0242 | 1.0261 | 1.0226 | 0.8682 | 0.9789 | 1.0176 | 1.0765 | 1.0614 | 0.9809 | 0.9884 | 1.0243 | 1.0285 |
| Ala-Leu-Asp-Gly | 0.9127 | 0.9141 | 1.0213 | 0.9015 | 0.9204 | 0.9796 | 0.8878 | 0.8755 | 1.0032 | 1.0176 | 0.9881 | 1.0486 | 0.9815 | 0.9206 | 1.0079 | 0.9981 | 0.9826 | 1.0824 | 0.9987 | 1.0501 | 1.0759 | 1.0684 |
| Ala-Leu-Asp-Tyr | 0.7790 | 0.7910 | 1.1546 | 1.4214 | 1.4177 | 0.9994 | 0.9226 | 0.8266 | 0.8767 | 1.1608 | 1.2349 | 1.1895 | 1.0228 | 0.8833 | 0.8363 | 0.6960 | 0.9161 | 0.9289 | 0.9161 | 0.9073 | 0.9825 | 1.0148 |
| Ala-Leu-Cys-Gln | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.8243 | 0.8683 | NA | NA | NA | NA | NA | NA | NA | 1.0525 |
| Ala-Leu-Ser-Ser | 0.9181 | 0.8621 | 1.1293 | 1.2183 | 1.2299 | 1.0363 | 0.8654 | 0.8506 | 0.9585 | 1.1462 | 1.1612 | 1.1059 | 1.0361 | 0.9463 | 0.9282 | 0.8572 | 1.0212 | 0.9147 | 0.8545 | 0.9655 | 0.9091 | 1.0397 |
| Ala-Leu-Thr-His | 0.6942 | 0.6689 | 1.0029 | 1.1117 | 1.0940 | 1.1712 | 0.7978 | 0.9187 | 0.7007 | 1.0818 | 1.0456 | 1.1041 | 0.9798 | 0.9094 | 0.7567 | 0.7323 | 1.1001 | 1.1145 | 0.9360 | 1.0787 | 0.8616 | 1.0237 |
| Ala-Leu-Thr-Tyr | 0.6071 | 0.5754 | 1.1323 | 1.0394 | 1.0418 | 1.0652 | 0.8198 | 0.9832 | 1.0948 | 1.0613 | 1.1249 | 1.1142 | 1.2759 | 0.9609 | 0.5639 | 0.4059 | 1.1585 | 1.0908 | 0.9750 | 0.8006 | 0.8824 | 0.9384 |
| Ala-Leu-Trp-Asn | 0.2889 | 0.2866 | 1.6187 | 1.4674 | 0.9948 | 1.5722 | 0.5573 | 0.6659 | 0.4956 | 1.4025 | 1.3620 | 1.4594 | 1.3302 | 0.9509 | 0.2093 | 0.1831 | 0.6149 | 0.2752 | 0.2545 | 1.4193 | 0.2536 | 0.8921 |
| Ala-Lys-Ala-Asn | 0.5846 | 0.6517 | 1.1771 | 1.1316 | 0.8991 | 1.0509 | 0.8159 | 0.8181 | 1.0498 | 1.1497 | 1.1454 | 1.1654 | 1.0888 | 1.0884 | 0.6875 | 0.8577 | 0.9992 | 0.5522 | 0.3815 | 1.0960 | 0.4539 | 1.0098 |
| Ala-Lys-Lys-Val | 1.0802 | 1.1249 | 1.0646 | 1.0144 | 1.0849 | 1.0781 | 1.0632 | 1.0587 | 1.0921 | 1.0728 | 1.0572 | 1.0435 | 1.1319 | 1.1023 | 1.1636 | 1.0531 | 0.9981 | 1.0503 | 1.0711 | 1.1298 | 1.1434 | 1.0519 |
| Ala-Met-Cys-His | 0.8104 | 0.8673 | 1.1485 | 1.1780 | 1.2885 | 0.9273 | 0.9187 | 0.8108 | 0.8503 | 1.2278 | 1.2272 | 1.2040 | 1.0196 | 0.9143 | 0.7668 | 0.7408 | 0.9248 | 0.8222 | 0.8212 | 0.9476 | 0.9266 | 1.1839 |
| Ala-Met-Cys-Pro | 1.0990 | 1.3341 | 0.8667 | 1.1712 | 0.8409 | 0.5328 | 0.8874 | 0.6287 | 0.6819 | 0.7123 | NA | NA | 0.7140 | 0.5594 | 1.6374 | 1.8746 | 0.6118 | 0.9803 | 1.5319 | NA | 1.4895 | 0.9038 |
| Ala-Met-Phe-Ala | 0.2869 | 0.3322 | 0.9812 | 0.7690 | 0.3419 | 1.3185 | 0.3424 | 0.3943 | 0.3088 | 0.8065 | 0.9249 | 0.7364 | 1.0554 | 0.4288 | 0.2068 | 0.2143 | 0.2790 | 0.3144 | 0.2692 | 0.3888 | 0.2967 | 0.5843 |
| Ala-Met-Thr-Asp | 0.5819 | 0.5126 | 1.2933 | 1.2191 | 1.2519 | 1.3174 | 0.8252 | 0.8451 | 0.8196 | 1.3631 | 1.1669 | 1.3053 | 1.2474 | 0.8533 | 0.4018 | 0.3080 | 0.9480 | 0.7891 | 0.5597 | 1.2938 | 0.4362 | 0.9907 |
| Ala-Phe-Val-Ala | 0.9443 | 0.8881 | 1.2441 | 1.1782 | 1.1408 | 1.2159 | 1.0017 | 0.8811 | 0.9560 | 1.0771 | 1.0726 | 0.9906 | 0.9667 | 0.8531 | 0.8842 | 0.8220 | 0.8907 | 1.0345 | 0.8933 | 0.9969 | 0.8964 | 1.0232 |
| Ala-Pro-Ser | 0.9401 | 0.9024 | 0.9861 | 0.9548 | 0.9528 | 0.9387 | 1.0000 | 0.9080 | 0.8948 | 0.8846 | 1.0908 | 0.9022 | 1.0261 | 0.8000 | 0.9893 | 0.8873 | 0.9622 | 1.2293 | 1.0457 | 1.3167 | 1.0653 | 1.0872 |
| Ala-Ser | 0.4320 | 0.3701 | 1.1724 | 1.1827 | 1.0005 | 1.1173 | 0.6676 | 0.9420 | 1.0039 | 1.3099 | 1.4096 | 1.3546 | 1.2996 | 1.0280 | 0.3150 | 0.2205 | 1.0005 | 0.9764 | 0.8286 | 1.1448 | 0.6433 | 0.8950 |
| Ala-Ser-Ser-His | 1.1060 | 0.9623 | 1.0454 | 1.1317 | 0.8318 | 0.8808 | 1.0394 | 1.1605 | 1.1214 | 0.9480 | 1.1383 | 0.9289 | 1.0477 | 1.0407 | 0.8229 | 0.8339 | 1.0244 | 0.9361 | 0.8633 | 0.9065 | 0.8302 | 0.9084 |
| Ala-Ser-Ser-Tyr | 1.0425 | 1.0683 | 1.1452 | 1.2271 | 1.1899 | 1.0923 | 0.8861 | 0.9863 | 1.0320 | 0.9490 | 1.1393 | 0.9096 | 1.0423 | 0.8892 | 0.8973 | 0.8353 | 0.9237 | 0.9956 | 0.8146 | 1.0941 | 0.7521 | 0.9914 |
| Ala-Thr-Ala-His | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| Ala-Thr-Asp-Gln | 0.8892 | 0.9093 | 0.9191 | 0.7975 | 0.9517 | 0.9494 | 0.8884 | 0.9230 | 0.8912 | 0.9525 | 0.9446 | 1.0380 | 1.0329 | 0.8297 | 1.1563 | 0.9915 | 1.1882 | 1.2103 | 1.1478 | 1.0421 | 1.2827 | 0.9488 |
| Ala-Thr-Gln-Tyr | 1.0992 | 1.2264 | 0.9461 | 0.8899 | 1.0129 | 0.9456 | 1.0393 | 1.0000 | 1.0020 | 0.9305 | 0.8810 | 1.0396 | 0.9070 | 0.9778 | 0.9779 | 1.1986 | 0.9451 | 1.0413 | 0.9046 | 0.8166 | 0.9777 | 1.0350 |
| Ala-Thr-Thr-Ala | 0.8913 | 0.9239 | 1.1265 | 1.1014 | 1.1923 | 1.0320 | 0.9496 | 0.9557 | 0.9671 | 1.2184 | 1.1587 | 1.1837 | 1.0249 | 0.9452 | 0.8272 | 0.8895 | 0.9340 | 0.8821 | 0.8982 | 0.9562 | 0.9462 | 1.0781 |
| Ala-Trp-Asp-Arg | 0.9045 | 1.1727 | 0.9957 | 1.0208 | 1.0298 | 1.1496 | 1.0800 | 1.2059 | 1.4359 | 1.4917 | 1.3349 | 1.4472 | 1.1989 | 1.2584 | 0.4561 | 0.5934 | 0.6896 | 0.5841 | 0.5222 | 0.6121 | 0.5014 | 0.9716 |
| Ala-Trp-Gly-Arg | 0.7009 | 0.8967 | 1.3022 | 1.4507 | 1.3609 | 1.0718 | 0.7527 | 0.7424 | 0.7479 | 1.1891 | 1.2333 | 1.3481 | 1.1829 | 0.8115 | 0.7990 | 0.8601 | 0.8756 | 1.1044 | 0.8557 | 0.9953 | 0.8517 | 0.9736 |
| Ala-Val-Gly-Ser | 0.9220 | 0.9140 | 1.1752 | 1.0943 | 1.2480 | 0.9349 | 0.8987 | 0.9765 | 0.8422 | 1.2137 | 1.2450 | 1.2089 | 1.1448 | 0.9057 | 1.0085 | 0.8664 | 0.8987 | 0.8354 | 0.7764 | 0.8550 | 0.8807 | 1.1385 |
| Ala-Val-Pro-Ser | 0.8624 | 0.8795 | 1.2746 | 1.1823 | 1.2723 | 1.0003 | 0.9404 | 0.8350 | 0.8604 | 1.1910 | 1.2462 | 1.2153 | 0.9898 | 0.8639 | 0.9036 | 0.8510 | 0.9757 | 0.9559 | 0.8592 | 0.9929 | 0.9421 | 0.9810 |
| Ala-Val-Tyr-Arg | 0.6849 | 0.3606 | 1.5443 | 1.3769 | 1.4769 | 1.3421 | 0.6961 | 0.5843 | 0.5306 | 1.4746 | 1.6228 | 1.2742 | 1.0968 | 0.9826 | 0.5303 | 0.3989 | 0.9789 | 0.9926 | 0.6573 | 1.1066 | 0.7262 | 1.0461 |
| alpha;-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate | 0.7798 | 0.6964 | 0.3971 | 0.7762 | 0.5193 | 0.8222 | 0.5051 | 0.3193 | 0.2299 | 0.1888 | NA | 0.1958 | NA | 0.4641 | 2.1398 | 2.3038 | 1.5751 | 1.9511 | 2.2823 | 1.4940 | 2.2086 | 1.0490 |
| alpha,alpha^-Trehalose 6-phosphate | 3.6710 | 4.1282 | 0.2946 | 0.3036 | 1.5016 | 0.2877 | 2.9953 | 2.4556 | 3.6161 | 0.3388 | 0.2787 | 0.3595 | 0.3261 | 3.1160 | 0.4883 | 0.4976 | 0.2628 | 0.3374 | 0.2750 | 0.2707 | 0.3730 | 1.0338 |
| alpha-Irone | 1.4247 | 1.2638 | 0.8917 | 0.9477 | 0.9774 | 0.6415 | 1.0633 | 1.4574 | 1.4138 | 0.8913 | 1.0477 | 1.1780 | 0.6805 | 1.1560 | 1.3182 | 1.3478 | 0.8701 | 1.0329 | 1.0550 | 0.5861 | 1.1449 | 1.0343 |
| Aminocarb | 0.8957 | 0.6855 | 1.0283 | 1.0694 | 1.1992 | 1.1561 | 1.0221 | 0.9132 | 0.9127 | 1.4265 | 0.9244 | 0.9406 | 1.0050 | 0.8355 | 1.0553 | 1.1780 | 1.1023 | 1.0507 | 0.9962 | 0.8801 | 0.9993 | 0.9856 |
| AMP | 2.6370 | 3.3218 | 0.3012 | 0.3078 | 1.4883 | 0.3470 | 2.4772 | 1.8254 | 2.7581 | 0.3534 | 0.3589 | 0.3212 | 0.3905 | 1.7619 | 2.1329 | 2.4834 | 0.4152 | 0.9025 | 1.2734 | 0.3998 | 1.6116 | 1.2083 |
| Arg-Gln-Gln-Tyr | 1.2070 | 1.2997 | 1.0320 | 1.0094 | 0.9038 | 0.7963 | 1.0762 | 1.0418 | 1.0580 | 0.8460 | 0.9352 | 0.9821 | 0.8522 | 0.8834 | 1.1693 | 1.3138 | 1.0697 | 1.0515 | 1.0757 | 0.8667 | 1.3694 | 1.0370 |
| Arg-Glu-Glu-Phe | NA | NA | 1.2516 | 1.3336 | 1.0202 | 1.2153 | 0.4787 | 0.3585 | NA | 1.1838 | 1.0946 | 1.1616 | 1.1508 | 0.7423 | NA | NA | 0.8885 | 0.8115 | 0.6031 | 1.0544 | 0.6502 | 0.8337 |
| Arg-Glu-Glu-Thr | 0.8234 | 0.7197 | 1.0249 | 0.9551 | 1.0410 | 1.0999 | 0.8393 | 0.9737 | 0.9010 | 0.9360 | 1.0088 | 0.9874 | 1.1338 | 1.0865 | 0.8786 | 0.8312 | 1.0978 | 0.9937 | 0.9868 | 0.9999 | 0.9806 | 1.0330 |
| Arg-Glu-Ile-Ser | 0.7356 | 0.6930 | 1.2017 | 1.2021 | 1.1734 | 1.0072 | 0.7769 | 0.7817 | 0.9266 | 1.2232 | 1.2417 | 1.2997 | 1.0735 | 0.8567 | 0.7611 | 0.7483 | 0.9130 | 0.9425 | 0.8304 | 1.1563 | 0.9060 | 0.9964 |
| Arg-Leu-Lys-Asp | 0.2776 | 0.2588 | 1.2243 | 1.1230 | 0.7743 | 1.2853 | 0.8224 | 0.7431 | 0.7151 | 1.2242 | 1.3775 | 1.2774 | 1.2544 | 1.1580 | NA | NA | 0.5839 | 0.2995 | 0.2717 | 1.1496 | 0.2855 | 1.1060 |
| Arg-Leu-Ser-Tyr | 0.8075 | 0.9331 | 0.8885 | 0.8917 | 0.9890 | 1.0176 | 0.9536 | 0.9003 | 0.9272 | 0.9858 | 1.1169 | 1.0918 | 1.0634 | 1.0790 | 1.0689 | 0.8291 | 1.0216 | 0.8662 | 0.8387 | 1.0688 | 0.8714 | 0.9568 |
| Arg-Met-Phe-Trp | 0.9067 | 1.0362 | 0.9518 | 0.9410 | 0.9464 | 0.9181 | 1.0220 | 1.0007 | 1.1222 | 1.0853 | 1.1378 | 1.0568 | 1.1121 | 0.9837 | 0.9172 | 0.9498 | 0.9051 | 0.8859 | 0.8255 | 0.8412 | 0.9561 | 1.2328 |
| Arg-Phe-Phe-Cys | 0.5487 | 0.5920 | 0.7760 | 0.7061 | 0.7166 | 0.8152 | 0.8280 | 0.8427 | 1.0744 | 1.3629 | 1.1653 | 1.2017 | 1.2077 | 0.7241 | 0.5455 | 0.5150 | 0.6133 | 0.5327 | 0.4613 | 0.6495 | 0.5899 | 2.7519 |
| Arg-Pro-His-His | NA | NA | 1.3749 | 1.3068 | 0.6367 | 1.1941 | 0.2533 | 0.3145 | 0.2249 | 1.3939 | 1.3635 | 1.4619 | 1.2759 | 0.6942 | NA | NA | 0.3973 | NA | NA | 1.1508 | NA | 0.6837 |
| Arg-Thr-Asp-Tyr | 0.5419 | 0.5926 | 1.6819 | 1.6547 | 1.5761 | 1.2812 | 0.8592 | 0.5706 | 0.7379 | 1.4916 | 1.6083 | 1.7052 | 1.1824 | 0.7608 | 0.6221 | 0.6129 | 0.6886 | 0.7065 | 0.6023 | 0.8765 | 0.6997 | 1.0555 |
| Arg-Thr-Gln-Tyr | 1.4126 | 2.1098 | 0.9400 | 0.7562 | 1.3083 | 0.6252 | 1.7179 | 0.8360 | 1.0681 | 0.9504 | 0.9618 | 0.5068 | 0.6587 | 0.9573 | 0.5394 | 0.3981 | 0.6392 | 0.5385 | 0.5166 | 0.8602 | 0.4851 | 1.5270 |
| Arg-Thr-Trp-Gln | 0.9185 | 1.0163 | 0.9513 | 1.0217 | 1.0430 | 0.8264 | 0.8775 | 0.9181 | 1.0227 | 0.9390 | 1.1530 | 0.9959 | 1.0803 | 1.0421 | 1.0827 | 1.1276 | 1.0255 | 0.9551 | 1.0026 | 0.9910 | 0.9610 | 1.0705 |
| Arg-Val-Asp-Pro | 0.3754 | 0.2779 | 0.7391 | 0.7784 | 0.6345 | 0.7686 | 0.4960 | 0.4367 | 0.4094 | 0.7986 | 0.7396 | 0.7014 | 0.7268 | 0.5345 | 0.4711 | 0.3978 | 0.6707 | 0.6706 | 0.5892 | 0.7621 | 0.6099 | 4.4208 |
| Arg-Val-Tyr-Arg | 1.0038 | 0.9466 | 1.0047 | 0.8290 | 1.2995 | 0.8929 | 0.9396 | 1.0134 | 0.8631 | 1.0081 | 1.0326 | 0.9987 | 0.9280 | 0.9401 | 0.9986 | 0.9353 | 1.0540 | 1.1097 | 1.0190 | 1.1518 | 1.1132 | 0.9071 |
| Ascorbate | 2.1951 | 2.6649 | 1.0735 | 0.9853 | 1.0140 | 0.8698 | 1.8606 | 1.2324 | 1.7711 | 1.4692 | 1.4140 | 1.2395 | 1.0375 | 1.1263 | 0.2950 | 0.3117 | 0.4136 | 0.3781 | 0.3099 | 0.6374 | 0.3696 | 0.9959 |
| Asn-Asn-Ser-Tyr | 0.9900 | 1.1596 | 1.0650 | 0.9844 | 1.0922 | 1.0546 | 1.0421 | 1.1414 | 1.1375 | 0.8765 | 1.0373 | 1.0003 | 1.0654 | 0.9681 | 0.9998 | 1.0829 | 0.9242 | 0.8183 | 0.9835 | 0.9544 | 0.9001 | 1.0113 |
| Asn-Glu-Asp-Ile | 1.1017 | 1.0897 | 1.0074 | 0.9587 | 0.9179 | 0.9262 | 0.9628 | 1.1358 | 1.2760 | 1.0041 | 1.0204 | 0.9786 | 0.9670 | 1.0151 | 1.1122 | 0.9744 | 1.0201 | 1.0430 | 0.9553 | 0.8922 | 1.0659 | 1.0349 |
| Asn-Glu-Ile-Ser | 1.0653 | 1.0557 | 1.2314 | 1.0606 | 1.0999 | 1.1485 | 1.0576 | 1.1479 | 0.9795 | 1.0168 | 1.0632 | 1.0612 | 1.0605 | 1.0564 | 0.8264 | 0.7745 | 0.7643 | 0.8042 | 0.8232 | 0.8901 | 0.8347 | 0.9633 |
| Asn-Glu-Ile-Trp | 0.5978 | 0.5331 | 1.1358 | 1.2356 | 1.0384 | 1.2889 | 0.7286 | 0.8533 | 0.6967 | 1.2234 | 1.3341 | 1.2594 | 1.2523 | 1.0075 | 0.3277 | 0.2709 | 1.1026 | 0.7619 | 0.5008 | 1.3265 | 0.3601 | 0.9980 |
| Asn-Gly-Ser-His | 1.0459 | 1.1194 | 1.1252 | 1.0128 | 0.6632 | 1.1722 | 0.8685 | 1.0652 | 1.4900 | 1.0869 | 1.4138 | 1.2145 | 1.1267 | 1.0675 | 0.7161 | 0.6928 | 0.4904 | 0.4712 | 0.5589 | 0.8102 | 0.5575 | 0.9248 |
| Asn-Ile-Gln-Ile | 0.8545 | 0.7477 | 0.9100 | 0.8922 | 0.9380 | 0.9614 | 1.0480 | 1.0028 | 1.0590 | 0.9796 | 0.9445 | 0.9739 | 1.1494 | 1.1128 | 0.7790 | 0.6398 | 1.1472 | 1.1620 | 1.0940 | 1.0159 | 1.1135 | 0.9477 |
| Asn-Leu-Trp-Ser | 1.0340 | 0.9335 | 0.9242 | 0.8326 | 0.8909 | 1.0014 | 1.0388 | 0.9538 | 1.0445 | 1.0175 | 1.0300 | 0.9706 | 0.9845 | 1.0092 | 1.0649 | 1.0309 | 1.1279 | 0.9837 | 0.9222 | 1.1312 | 1.0821 | 0.9630 |
| Asn-Lys-Asn-Pro | 0.5392 | 0.5685 | 0.7622 | 0.8339 | 0.8315 | 0.7047 | 0.6763 | 0.6062 | 0.5555 | 0.6901 | 0.6466 | 0.6544 | 0.5682 | 0.6547 | 0.7224 | 0.6335 | 0.8514 | 0.9720 | 0.9192 | 0.8147 | 0.7913 | 3.6752 |
| Asn-Lys-Gly-Ser | 0.7802 | 0.7060 | 1.1628 | 1.1371 | 1.1558 | 1.0021 | 0.8992 | 0.8194 | 0.8552 | 1.2387 | 1.2488 | 1.1593 | 1.0912 | 0.9353 | 0.7588 | 0.5945 | 0.9968 | 1.0008 | 0.8887 | 1.0211 | 0.9427 | 0.9865 |
| Asn-Met-Trp-His | 0.8099 | 0.8197 | 1.0037 | 0.9156 | 0.9360 | 0.9269 | 0.8475 | 0.7663 | 0.7838 | 0.8390 | 0.9315 | 0.8918 | 0.8374 | 0.8056 | 1.1093 | 1.1173 | 1.1069 | 1.1574 | 1.0441 | 1.0501 | 1.1056 | 1.7285 |
| Asn-Thr-Gln-Pro | 0.7127 | 0.6355 | 0.9810 | 1.0646 | 0.9921 | 1.1228 | 0.8489 | 1.0503 | 0.9918 | 1.0900 | 1.1136 | 1.1898 | 1.0557 | 1.0312 | 0.5651 | 0.4655 | 1.1146 | 1.1611 | 1.0335 | 1.0997 | 0.9569 | 0.9450 |
| Asn-Trp-Val-His | 1.1643 | 1.2760 | 0.7028 | 0.6667 | 0.8882 | 0.7562 | 0.9830 | 0.9513 | 1.1409 | 0.8797 | 0.8052 | 0.8281 | 0.8312 | 0.8694 | 1.3718 | 1.6230 | 1.0765 | 1.2361 | 1.5030 | 0.7724 | 1.3938 | 0.9971 |
| Asn-Trp-Val-Pro | 0.6495 | 0.6783 | 1.0808 | 0.9636 | 1.0001 | 1.1335 | 0.9563 | 1.0848 | 1.1153 | 0.8674 | 1.0053 | 0.9294 | 1.0305 | 1.0395 | 0.5663 | 0.4379 | 1.0864 | 1.0983 | 0.9915 | 1.1734 | 0.8132 | 1.0347 |
| Asp-Asp-Asp-Pro | 2.6510 | 2.6046 | 1.0730 | 0.5123 | 0.9273 | 0.6287 | 1.7667 | 1.4209 | 1.2792 | 0.9738 | 0.4594 | 0.4467 | 0.6004 | 0.6069 | 2.3782 | 2.5419 | 0.4770 | 0.6974 | 0.9384 | 0.4306 | 1.4022 | 1.1660 |
| Asp-Asp-His-His | 0.3917 | 0.4175 | 1.4370 | 1.2624 | 1.2354 | 1.1549 | 0.8261 | 0.7941 | 0.5122 | 1.2320 | 1.2998 | 1.2814 | 1.1911 | 0.8883 | 0.5279 | 0.5955 | 1.1161 | 0.9047 | 0.7854 | 0.9707 | 0.7989 | 1.0025 |
| Asp-Cys-Cys-Ser | 0.7799 | 0.8480 | NA | NA | NA | NA | NA | 0.7603 | 1.0417 | NA | NA | NA | NA | 1.0197 | NA | NA | NA | NA | NA | NA | NA | 1.1214 |
| Asp-Glu-Gly-Ile | 1.0600 | 0.9305 | 0.8560 | 0.9599 | 0.9004 | 0.8836 | 0.8945 | 1.1406 | 1.0539 | 0.9511 | 0.8646 | 1.0025 | 1.0675 | 1.0254 | 1.1620 | 1.1867 | 0.8913 | 1.0031 | 1.0228 | 0.8627 | 0.8903 | 1.0624 |
| Asp-Glu-Ile-Leu | 1.1053 | 1.0989 | 0.9784 | 1.0798 | 1.1160 | 0.9627 | 0.8644 | 0.9619 | 1.1910 | 1.0887 | 1.0357 | 1.1960 | 0.9637 | 0.7512 | 1.0740 | 1.1630 | 0.9240 | 0.9297 | 0.8697 | 0.9147 | 0.8541 | 1.0214 |
| Asp-Glu-Ile-Phe | 0.9383 | 1.0465 | 1.0165 | 0.9660 | 1.0508 | 0.8609 | 1.0332 | 0.9496 | 1.0393 | 1.0063 | 0.9420 | 1.0148 | 0.9870 | 0.9390 | 1.1530 | 1.1968 | 0.9511 | 1.1656 | 1.0329 | 0.9366 | 1.1149 | 1.0142 |
| Asp-Glu-Ile-Ser | 0.7747 | 0.8403 | 1.2808 | 1.3341 | 1.4607 | 0.9804 | 0.8784 | 0.8470 | 0.8766 | 1.3422 | 1.4386 | 1.3959 | 1.0901 | 0.8436 | 0.8658 | 0.7248 | 0.8449 | 0.6816 | 0.6960 | 0.9302 | 0.7625 | 1.1111 |
| Asp-Glu-Ile-Thr | 0.7900 | 0.7380 | 1.1702 | 1.1180 | 1.0767 | 1.1775 | 0.9584 | 0.8007 | 0.8517 | 1.0111 | 1.0048 | 1.1322 | 0.9954 | 0.9557 | 0.6717 | 0.5445 | 1.0628 | 0.9789 | 0.9281 | 1.1834 | 0.7551 | 0.9802 |
| Asp-Gly-Ser-His | 1.4889 | 1.6152 | 0.6342 | 0.7119 | 0.8793 | 0.4408 | 1.0348 | 0.5131 | 0.8226 | 0.6834 | 0.1107 | 0.1667 | 0.4277 | 0.4525 | 2.6469 | 2.9278 | 0.7176 | 1.3728 | 1.9340 | 0.1541 | 2.2295 | 1.1197 |
| Asp-Ile-Asp-Ile | 0.7419 | 0.6887 | 1.0567 | 1.0147 | 1.0568 | 1.0000 | 0.9556 | 0.9526 | 0.9031 | 1.1906 | 1.0719 | 1.0213 | 1.0941 | 1.0409 | 0.8204 | 0.5949 | 1.0406 | 1.1464 | 1.0150 | 1.0694 | 1.0404 | 1.0181 |
| Asp-Leu-Gly-Ser | 2.8029 | 2.8984 | 0.0968 | 0.3810 | 2.4137 | 0.1258 | 3.0552 | 1.3723 | 1.7189 | 0.0973 | 0.1086 | 0.2500 | 0.1663 | 1.8435 | 0.6462 | 0.9037 | 0.1761 | 0.2735 | 0.3897 | 0.0729 | 0.5434 | 1.5283 |
| Asp-Leu-Leu-Asp | 0.9784 | 0.9646 | 1.0579 | 1.0408 | 1.1128 | 1.0057 | 0.9637 | 0.9745 | 1.0206 | 1.0610 | 1.0368 | 1.0120 | 0.9702 | 0.9401 | 1.0023 | 1.1141 | 1.0630 | 1.0012 | 1.0072 | 1.0065 | 1.0088 | 0.9193 |
| Asp-Leu-Leu-Ser | 0.8285 | 0.7889 | 1.3303 | 1.2315 | 1.2053 | 1.0704 | 0.8920 | 0.8331 | 0.8107 | 1.2521 | 1.2883 | 1.2898 | 1.0601 | 0.9271 | 0.7644 | 0.7446 | 0.8974 | 0.9095 | 0.8734 | 0.9291 | 1.0067 | 1.0098 |
| Asp-Leu-Leu-Thr | 1.0486 | 1.3173 | 0.8652 | 0.8934 | 0.7789 | 0.9255 | 1.0324 | 0.8160 | 1.0059 | 0.7135 | 0.9089 | 0.9626 | 0.7891 | 0.7197 | 1.2150 | 1.2926 | 1.0770 | 1.2674 | 1.0572 | 1.0181 | 1.0549 | 1.0314 |
| Asp-Leu-Lys-His | 0.9015 | 0.7782 | 1.1072 | 1.1253 | 1.1647 | 1.1286 | 0.9568 | 0.8081 | 0.9349 | 1.0809 | 1.0649 | 1.1291 | 1.1287 | 0.8069 | 0.8202 | 0.7479 | 1.0243 | 0.9638 | 0.9280 | 1.0378 | 0.8001 | 1.0710 |
| Asp-Leu-Lys-Lys | 0.6533 | 0.5461 | 1.2515 | 1.2406 | 1.2654 | 1.0950 | 0.8054 | 0.7844 | 0.8619 | 1.1820 | 1.2544 | 1.1701 | 1.0144 | 0.7373 | 0.6685 | 0.6181 | 0.9755 | 0.6754 | 0.7338 | 0.7569 | 0.7978 | 1.8865 |
| Asp-Leu-Lys-Thr | 0.9791 | 0.8183 | 1.2707 | 1.1046 | 1.2772 | 0.9620 | 1.0393 | 0.7288 | 0.8730 | 1.4323 | 1.3537 | 1.1151 | 0.9830 | 0.9734 | 0.8663 | 0.8354 | 0.8526 | 0.9440 | 0.8606 | 0.8232 | 0.8136 | 1.0809 |
| Asp-Leu-Met-Thr | 0.7615 | 0.9229 | 1.4087 | 1.3019 | 0.9897 | 1.0967 | 0.7919 | 0.7926 | 0.8090 | 1.1097 | 1.1769 | 1.3599 | 1.1038 | 0.8939 | 0.5308 | 0.6714 | 1.0445 | 0.8246 | 0.7268 | 0.9990 | 0.6341 | 0.8728 |
| Asp-Leu-Ser-His | NA | NA | 0.9675 | 0.9431 | 0.6938 | 0.9934 | NA | NA | NA | 1.0496 | 1.0982 | 1.0586 | 1.2480 | 0.6577 | NA | NA | 0.4358 | NA | NA | 0.9656 | NA | 0.6027 |
| Asp-Leu-Thr-Thr | 0.8064 | 0.8763 | 1.3149 | 1.1223 | 1.2138 | 1.2109 | 1.0154 | 0.8483 | 0.8203 | 0.9484 | 1.0400 | 0.9839 | 1.0248 | 0.7917 | 0.7956 | 0.6506 | 1.1341 | 0.9627 | 0.8736 | 1.1414 | 0.8652 | 0.9915 |
| Asp-Lys-Trp-Gln | 0.3769 | 0.3628 | 1.5875 | 1.6040 | 1.5200 | 1.1196 | 0.7500 | 0.5618 | 0.5618 | 1.4933 | 1.5025 | 1.4771 | 1.2043 | 0.7583 | 0.4531 | 0.4702 | 0.9082 | 0.7894 | 0.7314 | 1.0526 | 0.7434 | 1.0276 |
| Asp-Lys-Tyr-Tyr | 0.6931 | 0.8485 | 1.1213 | 1.3998 | 1.0353 | 1.0607 | 0.6698 | 0.6892 | 0.8135 | 1.3443 | 1.1993 | 1.2041 | 1.2482 | 0.9869 | NA | NA | 0.8509 | 0.7101 | 0.6967 | 1.0275 | 0.8264 | 0.9435 |
| Asp-Met-Phe-Val | 0.6458 | 0.7825 | 0.8942 | 0.8876 | 0.7964 | 0.9554 | 0.8742 | 0.9034 | 0.9671 | 1.1237 | 1.1325 | 1.1743 | 1.3711 | 1.1556 | 0.5909 | 0.6128 | 0.6438 | 0.6891 | 0.6123 | 0.6651 | 0.6838 | 1.7417 |
| Asp-Met-Pro-His | 0.4977 | 0.5609 | 0.8971 | 1.0538 | 0.7087 | 1.3187 | 0.5097 | 0.5016 | 0.4943 | 0.6690 | 0.5963 | 0.7380 | 0.8333 | 0.4705 | 1.2067 | 1.1953 | 1.4951 | 1.3649 | 1.2821 | 1.2962 | 1.4106 | 0.6210 |
| Asp-Met-Pro-His_1 | 1.2754 | 1.2723 | 0.8216 | 0.7830 | 0.8668 | 0.7644 | 1.0918 | 1.1342 | 1.0959 | 0.7860 | 0.6651 | 0.7160 | 0.8003 | 0.8744 | 1.2163 | 1.2854 | 1.3207 | 1.3276 | 1.2311 | 1.2975 | 1.3561 | 0.9692 |
| Asp-Met-Thr-Ser | 0.5354 | 0.3851 | 1.2061 | 1.0471 | 0.9493 | 1.1657 | 0.6143 | 0.8481 | 0.4819 | 1.0218 | 0.9467 | 1.0492 | 1.1022 | 0.8573 | 0.8843 | 0.7635 | 1.7020 | 1.4324 | 1.1320 | 1.4747 | 0.9570 | 1.1326 |
| Asp-Met-Thr-Thr | 0.6341 | 0.4629 | 1.1030 | 1.0212 | 0.8340 | 1.0018 | 0.5664 | 0.6823 | 0.5737 | 0.8401 | 0.7698 | 0.8827 | 1.1252 | 0.7501 | 1.2498 | 1.2393 | 1.4227 | 1.4901 | 1.5083 | 1.2929 | 1.2926 | 1.1475 |
| Asp-Phe-Thr-Thr | 0.6010 | 0.4541 | 1.0926 | 1.1143 | 1.0027 | 1.1200 | 0.6932 | 0.9452 | 0.8496 | 1.2865 | 1.3075 | 1.1092 | 1.1987 | 1.0033 | 0.4566 | 0.4574 | 1.1136 | 0.9796 | 0.8332 | 1.1829 | 0.7160 | 0.9341 |
| Asp-Pro-Pro-Ser | 0.9717 | 1.1265 | 0.9995 | 0.8486 | 1.1416 | 1.0939 | 1.0260 | 1.4481 | 1.2392 | 0.9449 | 0.9542 | 0.9386 | 0.9479 | 1.1892 | 0.9844 | 0.9465 | 0.8234 | 1.0109 | 0.7943 | 0.8844 | 1.0061 | 1.0068 |
| Asp-Thr-Thr-Asp | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| Asp-Thr-Thr-Val | 1.0004 | 1.0402 | 0.9853 | 1.0715 | 1.0218 | 0.9335 | 0.9352 | 0.8593 | 1.0117 | 0.9851 | 0.9809 | 1.1100 | 1.0530 | 1.0657 | 0.8305 | 0.8806 | 1.0913 | 0.9117 | 0.9380 | 1.0423 | 0.9182 | 1.0229 |
| Asp-Tyr-Tyr | 0.9503 | 1.0658 | 0.9969 | 1.0052 | 1.0479 | 1.0510 | 1.0588 | 1.0953 | 0.9783 | 1.0863 | 1.0093 | 1.1658 | 0.8568 | 0.9257 | 1.0347 | 1.0344 | 1.0521 | 0.9909 | 0.9368 | 1.0094 | 1.0762 | 0.9821 |
| Asp-Tyr-Tyr-His | 0.8802 | 0.7536 | 0.7341 | 0.8111 | 0.7337 | 0.7739 | 0.6918 | 0.5977 | 0.4239 | 0.4969 | 0.4646 | 0.4674 | 0.4373 | 0.5339 | 2.2401 | 1.8770 | 1.4480 | 1.6693 | 2.1044 | 1.6076 | 2.1165 | 1.1141 |
| Asp-Val-Asp-Pro | 1.1847 | 1.0923 | 0.9777 | 0.9388 | 1.1153 | 0.9528 | 1.0003 | 0.9977 | 1.1235 | 1.1066 | 1.0390 | 1.2192 | 1.1874 | 1.0617 | 0.8880 | 0.9092 | 0.7938 | 0.7319 | 0.7872 | 0.9230 | 0.8842 | 0.9920 |
| Asp-Val-Gly-Pro | 0.8091 | 0.7540 | 1.3143 | 1.2830 | 1.3335 | 1.1545 | 0.9607 | 0.9253 | 0.8443 | 1.2856 | 1.3597 | 1.2636 | 1.1186 | 0.9269 | 0.6377 | 0.5978 | 0.9106 | 0.8390 | 0.7023 | 0.9655 | 0.7441 | 1.0303 |
| Asp-Val-Pro-His | 0.7518 | 0.7320 | 1.0328 | 1.0301 | 1.0220 | 0.9766 | 0.8126 | 0.7339 | 0.8732 | 1.1123 | 1.2155 | 1.1497 | 1.1202 | 0.8043 | 0.8919 | 0.7376 | 1.0833 | 1.1154 | 0.8445 | 1.1337 | 1.0054 | 1.0016 |
| Bakkenolide A | 1.0221 | 0.8629 | 1.0715 | 1.0690 | 0.7892 | 0.9028 | 0.9793 | 1.3778 | 0.8019 | 1.2103 | 1.1652 | 1.1253 | 1.0378 | 1.1015 | 1.0294 | 0.8756 | 0.9321 | 0.9654 | 0.9807 | 0.9318 | 1.0989 | 1.1257 |
| Benz[a]anthracene | 0.9000 | 1.0673 | 1.1487 | 1.3469 | 1.0062 | 1.2127 | 0.9316 | 0.9945 | 1.2799 | 1.3644 | 1.2915 | 1.3960 | 1.0103 | 1.1186 | 0.7606 | 0.9911 | 0.9201 | 1.0396 | 0.9104 | 1.0908 | 1.0558 | 0.9896 |
| Benzidine | 1.0297 | 0.8040 | 0.8972 | 0.8200 | 0.8447 | 1.0025 | 0.9801 | 0.8166 | 0.7942 | 0.9294 | 0.7801 | 0.9063 | 1.1897 | 0.9870 | 1.2568 | 1.4048 | 1.2375 | 1.2131 | 1.0978 | 1.1543 | 1.2845 | 1.0808 |
| Berberastine | 0.5991 | 0.6501 | 0.9451 | 0.6815 | 0.5458 | 0.9984 | 0.5420 | 0.8146 | 0.7524 | 0.9058 | 0.7672 | 0.7706 | 1.0464 | 0.8521 | NA | NA | 0.8484 | NA | 0.6695 | 1.0733 | 0.6527 | 1.4495 |
| beta-Alanopine | 1.2528 | 1.2611 | 1.2656 | 1.4458 | 1.3984 | 0.8858 | 1.2875 | 1.0567 | 1.1430 | 0.9831 | 1.0069 | 1.0119 | 0.9763 | 1.1507 | 0.8586 | 1.1372 | 1.0025 | 1.2723 | 0.8473 | 1.0422 | 1.0771 | 0.9670 |
| beta-D-Sedoheptulopyranose | 1.1844 | 1.1020 | 0.8858 | 0.8588 | 1.0484 | 1.0575 | 1.2141 | 1.1732 | 1.2010 | 0.9820 | 0.9738 | 0.9575 | 0.9595 | 1.0323 | 1.1800 | 1.2200 | 1.2208 | 1.1025 | 1.2337 | 1.1187 | 1.3463 | 1.0962 |
| Bis-D-fructose 2^,1:2,1^-dianhydride | 1.0347 | 1.0167 | 0.9684 | 0.9478 | 1.0100 | 0.9886 | 0.9873 | 0.9638 | 0.9686 | 0.9829 | 0.9758 | 0.9675 | 0.9642 | 0.9090 | 1.1021 | 1.1046 | 1.0240 | 1.0191 | 0.9978 | 1.0955 | 1.0599 | 1.0219 |
| Boc-Asn | 1.0144 | 0.7913 | 1.0480 | 1.0981 | 1.1700 | 0.9650 | 0.8891 | 0.9047 | 0.9167 | 1.0100 | 0.9151 | 0.8633 | 1.0014 | 1.0391 | 1.1050 | 1.0002 | 1.1670 | 1.0057 | 1.0135 | 1.0969 | 1.0844 | 1.0596 |
| Butanoic acid | 1.2468 | 1.4810 | 0.8166 | 1.1575 | 1.0586 | 0.9489 | 1.0566 | 0.7831 | 0.8707 | 0.7981 | 0.7133 | 0.6773 | 0.5702 | 0.4936 | 3.1819 | 2.6970 | 0.9058 | 1.1950 | 1.6744 | 0.9297 | 2.2113 | 1.2240 |
| Camoensine | 1.1628 | 0.8729 | 1.2668 | 1.1794 | 1.2379 | 1.2087 | 1.1506 | 0.7860 | 0.7410 | NA | 0.8817 | 0.7972 | 0.6370 | 0.8359 | 0.9724 | 1.0122 | 1.0408 | 0.9849 | 0.9137 | 1.0033 | 1.0327 | 1.1423 |
| Cantleyine | 1.2323 | 1.3371 | 0.4172 | 0.7432 | 0.8596 | NA | 0.9333 | 1.1320 | 1.5642 | NA | 0.4828 | 0.5797 | 0.7418 | 1.5513 | 1.4330 | 2.1128 | 0.7662 | 0.7788 | 0.7658 | 0.5552 | 1.3144 | 0.9513 |
| Cardiospermin | 0.9664 | 0.7883 | 1.1657 | 1.0168 | 1.1447 | 1.0599 | 0.9432 | 0.9675 | 0.8098 | 0.9838 | 0.9597 | 0.8406 | 0.9269 | 0.6924 | 1.2117 | 1.0878 | 1.3601 | 1.1095 | 1.1186 | 1.1483 | 1.1321 | 1.1643 |
| Celloheptaose | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.7252 | NA | NA | NA | NA | NA | 0.5518 | 1.1407 |
| Cellohexaose | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| chelidamate | 1.0639 | 0.9412 | 1.1489 | 1.1432 | 1.0510 | 1.0379 | 0.8428 | 0.8970 | 0.7995 | 1.0416 | 1.0451 | 0.9255 | 1.0760 | 0.9431 | 1.2150 | 1.5275 | 1.1480 | 1.2440 | 1.1510 | 1.2762 | 1.3639 | 1.1719 |
| cis-Acetylacrylate | 1.1836 | 1.4465 | 0.8867 | 0.9476 | 1.0799 | 1.0428 | 1.0125 | 1.2405 | 1.2471 | 0.9938 | 0.9785 | 0.9804 | 1.1310 | 1.2113 | 1.2881 | 1.3727 | 1.0636 | 1.0995 | 1.1554 | 1.0514 | 1.3177 | 0.9698 |
| cis-Aconitate | 0.7063 | 1.0384 | 0.6125 | 0.7125 | 1.0399 | 0.5147 | 0.6728 | 0.6311 | 0.8932 | 0.5444 | 0.3462 | 0.8467 | 0.5499 | 0.6203 | 0.8283 | 1.0765 | 1.0971 | 1.3354 | 1.2130 | 0.4106 | 0.9971 | 5.1570 |
| Clavaminic acid | 1.0884 | 1.1987 | 1.0230 | 1.1583 | 1.0807 | 1.0826 | 0.9110 | 0.8475 | 0.9452 | 1.0320 | 1.1110 | 1.0786 | 1.1832 | 0.9562 | 1.1050 | 1.0036 | 1.0378 | 0.9702 | 0.9866 | 1.1435 | 0.9973 | 1.0495 |
| Clavulanic acid | 0.9158 | 0.8491 | 1.1528 | 1.0778 | 1.0866 | 1.0506 | 1.0023 | 1.0264 | 0.8895 | 1.0232 | 1.1393 | 1.0582 | 1.0750 | 0.8980 | 1.0048 | 0.8880 | 0.9660 | 1.1007 | 0.7866 | 0.8861 | 1.0286 | 1.0396 |
| Convoline | 0.8358 | 1.0069 | 1.1239 | 0.9271 | 0.9468 | 1.0221 | 0.8302 | 1.0178 | 1.1393 | 1.2100 | 1.1334 | 1.0500 | 1.0462 | 1.0672 | 1.0484 | 0.9646 | 0.9487 | 0.8030 | 0.7974 | 1.0436 | 0.9982 | 1.0787 |
| Cyanazine | 0.5110 | NA | NA | NA | NA | NA | 0.6225 | 0.7063 | NA | NA | NA | NA | 0.5927 | NA | 1.3875 | 1.6589 | 0.8509 | 1.1068 | 1.1918 | 0.7064 | 1.2346 | 0.9248 |
| Cys-Cys-Gln-Pro | NA | NA | 0.9194 | 0.8176 | 0.5192 | 1.2209 | NA | NA | NA | 1.1034 | 0.9271 | 0.9471 | 1.3838 | 0.4229 | NA | NA | 0.4512 | NA | NA | 0.7884 | NA | 0.7507 |
| Cys-His-His-His | NA | NA | 1.0510 | 1.1847 | 1.1198 | 0.8270 | 1.1832 | NA | NA | 0.8367 | 0.8784 | 1.0363 | 0.7820 | 0.8511 | 1.0544 | NA | 1.2143 | 1.1871 | 0.9196 | 1.2237 | 1.0885 | NA |
| Cys-Met-Gly-Ser | 0.9176 | 0.7553 | 0.8666 | 0.9591 | 0.9756 | 1.0712 | 0.9629 | 0.9927 | 0.7722 | 0.7720 | 0.7355 | 0.6799 | 0.8717 | 0.8699 | 1.4888 | 1.6714 | 1.4057 | 1.4174 | 1.5175 | 0.9309 | 1.5304 | 1.0672 |
| Cys-Met-Thr-Ser | 0.7155 | 0.6692 | 1.0864 | 0.9471 | 0.8898 | 0.9991 | 0.9372 | 1.0526 | 0.9046 | 1.2080 | 1.0406 | 1.1325 | 1.1537 | 0.9976 | 0.4791 | 0.5946 | 1.0519 | 1.1127 | 0.8429 | 1.1801 | 1.0456 | 0.9445 |
| Cystathionine | NA | NA | NA | NA | NA | NA | NA | 0.6182 | 0.6284 | NA | NA | NA | NA | 0.8532 | NA | NA | 0.6510 | NA | NA | NA | NA | 1.2327 |
| Cys-Trp-Cys-Gly | 1.1808 | 1.2526 | 1.0662 | 1.2222 | 1.0262 | 0.9915 | 1.0367 | 1.1994 | 1.1095 | 0.9636 | 0.9144 | 1.0102 | 0.8132 | 1.0377 | 0.9215 | 0.9674 | 1.0011 | 0.8473 | 0.9480 | 0.9164 | 0.8523 | 1.1738 |
| Daminozide | 1.1177 | 1.0727 | 1.2950 | 1.0724 | 1.3267 | 1.3029 | 1.2460 | 1.3264 | 1.0955 | 1.0564 | 1.1689 | 1.1174 | 1.0905 | 1.0851 | 0.9374 | 1.0037 | 0.9686 | 0.9181 | 0.9201 | 1.1723 | 0.9050 | 1.0550 |
| D-Arabinonate | 0.9203 | 0.9663 | 0.9000 | 0.8610 | 0.8669 | 0.9443 | 0.9037 | 0.9652 | 0.9613 | 0.8660 | 0.8235 | 0.8456 | 0.9477 | 0.8921 | 1.3489 | 1.3232 | 1.1790 | 1.2202 | 1.2511 | 1.1172 | 1.2820 | 1.0491 |
| decanamide | 0.9406 | 1.0347 | 1.1059 | 1.0187 | 1.1250 | 0.9495 | 0.9924 | 1.1201 | 1.2218 | 1.0583 | 1.3290 | 1.1081 | 0.9882 | 0.9010 | 0.8894 | 1.2001 | 0.9482 | 0.8449 | 0.8193 | 0.8367 | 0.8322 | 1.0756 |
| Decanoic acid | 1.5203 | 0.8013 | 1.3958 | 1.0626 | 1.0371 | 1.3301 | 1.3256 | 1.2787 | 0.6406 | 1.2369 | 1.2309 | 1.1581 | 1.1456 | 1.3807 | 1.5445 | 0.8907 | 1.1008 | 1.3533 | 1.2112 | 1.2029 | 1.2877 | 0.5882 |
| Deoxyguanidinoproclavaminic acid | 1.0473 | 1.1565 | 0.9775 | 0.8384 | 0.9978 | 1.1464 | 0.9996 | 0.9778 | 1.0309 | 0.9225 | 0.8330 | 0.9256 | 0.9196 | 0.9151 | 1.0757 | 1.1994 | 1.0192 | 1.1256 | 0.8972 | 0.9429 | 1.0401 | 1.0833 |
| Deoxyribose | 1.1721 | 1.1870 | 0.9536 | 0.9537 | 0.9790 | 1.0183 | 1.1744 | 1.0897 | 1.1200 | 0.9215 | 0.9110 | 0.8963 | 1.1551 | 1.1961 | 1.2348 | 1.1555 | 1.2136 | 1.2685 | 1.1829 | 1.0774 | 1.2145 | 1.1030 |
| D-Erythrose | 0.9584 | 0.9832 | 1.1724 | 1.0721 | 1.1201 | 1.1912 | 0.9609 | 1.0090 | 0.9588 | 1.1542 | 1.0779 | 1.0680 | 1.1119 | 1.0501 | 1.2046 | 1.1898 | 1.1985 | 1.2040 | 1.1600 | 1.1850 | 1.1614 | 1.1001 |
| D-Erythrulose | 1.1510 | 1.2258 | 1.0632 | 0.9710 | 0.8343 | 1.0137 | 1.0911 | 1.1558 | 1.2040 | 0.8684 | 0.7685 | 1.1055 | 1.0044 | 0.9640 | 1.2221 | 1.3158 | 1.1129 | 1.0947 | 1.0762 | 1.1647 | 1.1035 | 1.1524 |
| D-Galactose | 1.1640 | 1.1919 | 1.0183 | 1.0169 | 1.0053 | 1.0765 | 1.1431 | 1.0326 | 1.0646 | 1.0197 | 1.0540 | 1.0242 | 1.0555 | 1.0351 | 1.1478 | 1.1414 | 1.0924 | 1.1620 | 1.0833 | 1.1387 | 1.1402 | 1.0894 |
| D-Galacturonate | 1.9075 | 2.2108 | 0.6084 | 0.6805 | 1.4784 | 0.5989 | 1.5052 | 1.5676 | 1.5653 | 0.5587 | 0.4317 | 0.6251 | 0.6115 | 1.1852 | 2.2940 | 2.6724 | 1.2567 | 1.2383 | 1.5271 | 0.8420 | 1.6934 | 1.2380 |
| D-Gluconic acid | 0.6904 | 0.6275 | 1.3181 | 1.2810 | 0.8005 | 1.3881 | 0.8369 | 0.7468 | 0.6585 | 1.3231 | 1.3207 | 1.2357 | 1.3150 | 0.9002 | 0.7155 | 0.5653 | 0.9371 | 0.9811 | 0.8824 | 1.3225 | 0.8563 | 1.0146 |
| D-Glucono-1,5-lactone | 2.0620 | 2.1853 | 0.4860 | 0.5872 | 1.4654 | 0.6397 | 1.7384 | 1.7239 | 1.9112 | 0.4598 | 0.3771 | 0.5457 | 0.5453 | 1.8287 | 2.1401 | 2.4289 | 1.4449 | 1.4504 | 1.3657 | 0.7975 | 1.7144 | 1.2580 |
| D-Glucosamine | 0.8356 | 0.9344 | 0.9682 | 1.0080 | 0.9335 | 0.9714 | 1.2186 | 1.0226 | 0.9356 | 0.9060 | 0.9545 | 1.1645 | 1.0885 | 0.9547 | 0.9469 | 1.0791 | 0.9278 | 1.0141 | 0.7546 | 0.9689 | 0.9457 | 1.2941 |
| D-Glucose | 1.1646 | 1.0956 | 1.1866 | 1.1803 | 1.2023 | 1.3498 | 1.2243 | 1.1740 | 1.1740 | 1.0642 | 1.0422 | 1.0359 | 1.0422 | 1.1866 | 0.9135 | 0.9261 | 0.9417 | 0.9229 | 0.9449 | 1.1081 | 0.9355 | 1.0809 |
| D-Glucose 6-phosphate | 2.2635 | 2.1620 | 0.6496 | 0.5588 | 1.5539 | 0.5441 | 2.4124 | 1.2076 | 1.5897 | 0.7041 | 0.3924 | 0.5117 | 0.5788 | 1.3233 | 0.9531 | 0.8443 | 0.5854 | 0.7138 | 0.8019 | 0.5292 | 0.9468 | 2.0993 |
| D-Glucuronate | 0.4668 | 0.4197 | 0.4687 | 0.4981 | 0.5282 | 0.4514 | 0.4423 | 0.4617 | 0.4093 | 0.5146 | 0.4396 | 0.5165 | 0.5772 | 0.4914 | 0.3169 | 0.4004 | 0.3962 | 0.4156 | 0.3586 | 0.4165 | 0.3654 | 6.2732 |
| D-Glycerate | 0.2876 | 0.2934 | 2.1948 | 1.1616 | 0.2124 | 1.4068 | 0.2494 | 0.1642 | 0.1559 | 2.1742 | 2.2668 | 0.8314 | 1.1603 | 0.1694 | 0.3096 | 0.2835 | 0.1739 | 0.1899 | 0.2118 | 0.3406 | 0.2315 | 0.7256 |
| Dihydro-4,4-dimethyl-2,3-Furandione | 1.1472 | 1.1130 | 1.2794 | 1.5967 | 1.1457 | 1.2167 | 1.0899 | 0.8235 | 1.0922 | 1.3516 | 1.4819 | 1.3109 | 1.2254 | 0.9489 | 0.9572 | 0.9475 | 0.8630 | 0.9210 | 0.8148 | 1.1910 | 0.9814 | 1.0464 |
| Dihydroxycoprostanoicacid | 1.0022 | 0.9281 | 1.0057 | 0.9586 | 1.1521 | 1.2226 | 0.9997 | 1.1405 | 1.0757 | 0.9671 | 1.0017 | 1.0560 | 0.7508 | 0.9939 | 1.2483 | 1.2159 | 1.3038 | 1.3114 | 1.1077 | 1.2498 | 1.2531 | 1.1545 |
| D-Mannonate | 1.2397 | 1.2463 | 1.0419 | 0.9126 | 1.0236 | 1.0897 | 1.1824 | 1.1335 | 1.1788 | 0.9631 | 0.9868 | 0.9218 | 1.0416 | 1.0868 | 1.1884 | 1.1519 | 1.1289 | 1.1736 | 1.0897 | 1.0589 | 1.1767 | 1.0995 |
| Docosanoic acid | 0.8124 | 1.4023 | 1.1621 | 0.8531 | 0.6127 | 0.8089 | 0.6722 | 0.9792 | 1.1092 | 0.7836 | 1.4986 | 0.9284 | 1.0596 | 0.6649 | 0.8807 | 1.1038 | 1.0230 | 0.8912 | 1.0814 | 0.9975 | 0.8389 | 1.9105 |
| Dodecanoic acid | 1.2895 | 0.9715 | 1.4052 | 0.8103 | 1.1025 | 1.5139 | 1.2297 | 1.1465 | 0.7978 | 1.2722 | 1.2151 | 1.0196 | 1.4975 | 1.1901 | 1.2730 | 0.8948 | 1.3727 | 1.0790 | 1.0192 | 0.9927 | 1.0246 | 1.2469 |
| D-Phe-Pro-Arg-CH2Cl | 0.5920 | 0.6714 | 1.0681 | 1.0930 | 0.8442 | 1.1198 | 0.7911 | 1.0753 | 1.0542 | 1.1755 | 1.2302 | 1.0771 | 1.1245 | 1.0005 | 0.5090 | 0.3449 | 1.0662 | 0.9597 | 0.8742 | 1.2882 | 0.7084 | 0.9259 |
| D-Ribose | 1.2412 | 1.2403 | 1.0815 | 1.0657 | 1.1826 | 1.1614 | 1.2118 | 1.2679 | 1.1408 | 1.0037 | 0.9872 | 1.0355 | 1.0488 | 1.2067 | 1.0991 | 1.0758 | 1.0426 | 1.0832 | 1.0676 | 1.0489 | 1.0894 | 1.0758 |
| D-Ribose 5-phosphate | 2.9507 | 3.4338 | 0.8318 | 0.2702 | 1.2419 | 0.5010 | 2.3311 | 0.7047 | 1.3857 | 0.8601 | 0.1603 | 0.1219 | 0.5018 | 0.6913 | 1.0965 | 1.1654 | 0.1362 | 0.3143 | 0.4706 | NA | 0.8711 | 0.9964 |
| D-Sedoheptulose 7-phosphate | 1.9811 | 1.9376 | 1.1506 | 0.6947 | 1.5965 | 0.7201 | 2.1087 | 1.3455 | 1.3682 | 1.2389 | 0.3119 | 0.3755 | 0.8722 | 1.2578 | 1.1914 | 2.1950 | 0.4426 | 0.4899 | 0.5601 | 0.3492 | 1.1378 | 1.0666 |
| D-Serine | 1.1475 | 1.1232 | 1.1841 | 1.0758 | 1.0983 | 1.2673 | 1.2487 | 1.2584 | 1.1318 | 1.1039 | 1.0514 | 1.0304 | 1.0486 | 1.1097 | 1.0160 | 1.0261 | 1.0174 | 1.0067 | 0.9846 | 1.1744 | 1.0625 | 1.0969 |
| D-Tagaturonate | 1.0365 | 1.2464 | 1.1656 | 1.0067 | 1.0377 | 1.2171 | 1.2292 | 1.1167 | 1.2076 | 0.9868 | 0.8719 | 1.0450 | 1.2894 | 1.2384 | 1.1676 | 1.1511 | 1.0217 | 1.0673 | 0.9631 | 1.0249 | 0.9186 | 1.0524 |
| D-Xylonate | 1.0981 | 1.0669 | 0.9969 | 0.9687 | 0.9489 | 1.0232 | 1.0139 | 0.9758 | 0.9554 | 0.9837 | 0.9458 | 0.9606 | 0.9551 | 0.9572 | 1.0277 | 1.0549 | 1.0019 | 0.9678 | 1.0163 | 0.9864 | 1.0200 | 1.0356 |
| D-Xylose | 0.4276 | 0.7283 | 0.6340 | 0.5164 | 0.7908 | 0.6690 | 0.6693 | 0.5324 | 0.9079 | 0.5761 | 0.5782 | 0.5803 | 0.5886 | 0.9322 | 0.5546 | 0.6166 | 0.5367 | 0.5246 | 0.6955 | 0.4835 | 0.5852 | 5.7317 |
| Elastin | 0.7616 | 0.6230 | 0.9017 | 1.1593 | 1.0237 | 1.0371 | 1.1586 | 0.9667 | 0.7940 | 0.9942 | 0.9806 | 1.0570 | 1.0303 | 0.9432 | 0.7706 | 0.7265 | 1.0430 | 1.2861 | 0.8911 | 1.2758 | 0.9523 | 0.9463 |
| Ethanolamine phosphate | 1.6342 | 1.8306 | 0.2770 | 0.2900 | 1.0438 | 0.2309 | 1.5768 | 5.4857 | 5.0964 | 0.2466 | 0.2275 | 0.2802 | 0.2523 | 1.5447 | 1.2593 | 1.2005 | 0.6934 | 0.8666 | 0.9341 | 0.2997 | 1.1288 | 1.1078 |
| ethyl propionate | 1.9069 | 2.2850 | 0.4508 | 0.3406 | 0.7650 | 0.3932 | 1.2808 | 1.5439 | 1.6832 | 0.3882 | 0.3435 | 0.4736 | 0.4534 | 1.0380 | 3.6551 | 3.9464 | 0.9828 | 1.1376 | 1.4901 | 0.5337 | 2.5800 | 1.2982 |
| [FA (11:0)] undecanoic acid | 1.5431 | 0.8254 | 1.4031 | 1.1583 | 1.2069 | 1.4145 | 1.2335 | 1.3241 | 0.8211 | 1.3128 | 1.1323 | 1.3560 | 1.2689 | 1.2750 | 1.5440 | 0.8634 | 1.1490 | 1.2195 | 1.2921 | 1.4031 | 1.1424 | 0.7205 |
| FA (12:1) dodecenoic acid | 2.2953 | 1.7217 | 1.4844 | 0.2015 | 1.6190 | 0.5001 | 2.0990 | 2.4126 | 1.0525 | 1.8688 | 0.6918 | 0.2157 | 0.4279 | 1.8634 | 2.8452 | 2.5871 | 0.5268 | 0.8206 | 1.0995 | 0.1942 | 1.6453 | 1.4926 |
| FA (13:1) tridecenoic acid | 2.1074 | 2.1998 | 0.3496 | 0.2342 | 0.6811 | 0.2832 | 1.2447 | 1.2595 | 0.9830 | 0.3177 | 0.2607 | 0.2523 | 0.2001 | 0.7626 | 2.7056 | 3.0482 | 0.4332 | 0.6466 | 1.0336 | 0.2486 | 1.5603 | 1.0451 |
| FA (14:1) tetradecenoic acid | 2.3640 | 2.2111 | 0.6147 | 0.3841 | 1.0017 | 0.7346 | 1.6093 | 2.5934 | 1.1547 | 0.8761 | 0.8163 | 0.5491 | 0.6032 | 1.2292 | 2.3573 | 2.7311 | 0.7546 | 0.7931 | 0.6564 | 0.6304 | 0.7977 | 1.0568 |
| FA(16:1) | 2.4843 | 4.3625 | 0.1947 | 0.1054 | 0.3806 | 0.2754 | 0.8518 | 3.9542 | 1.8019 | 0.2138 | 0.4495 | 0.2948 | 0.2776 | 0.9414 | 4.2170 | 5.2830 | 0.2847 | 0.3392 | 0.3792 | 0.2450 | 0.7131 | 1.5524 |
| FA (17:0) | 0.8040 | 1.7142 | 1.1441 | 0.8375 | 0.6112 | 0.8786 | 0.6941 | 1.0691 | 1.1759 | 0.8287 | 1.6374 | 1.0615 | 1.0328 | 0.6886 | 1.2032 | 1.4443 | 1.1982 | 0.8052 | 1.0036 | 0.7352 | 0.8337 | 1.6372 |
| FA (18:2) | 0.6734 | 2.6587 | 0.8594 | 0.4254 | 0.3936 | 0.6635 | 0.6736 | 0.7794 | 1.3694 | 0.5558 | 1.0237 | 0.4603 | 0.8746 | 0.7740 | 1.4412 | 1.2927 | 0.6301 | 0.5752 | 0.3805 | 0.4934 | 0.8823 | 3.3331 |
| FA (19:1) | 2.4767 | 4.3276 | 0.0106 | NA | 0.0814 | NA | 0.4258 | 0.9225 | 0.9485 | 0.0080 | 0.0234 | 0.0109 | NA | 0.1812 | 4.2607 | 5.7520 | NA | 0.0347 | 0.1063 | 0.0067 | 0.3083 | 1.1991 |
| FA (20:0) | 0.6294 | 1.3133 | 1.1531 | 0.8358 | 0.5172 | 0.8802 | 0.6460 | 1.2448 | 1.2955 | 0.7443 | 1.6419 | 0.7040 | 1.3396 | 0.6142 | 0.8319 | 1.0098 | 0.9442 | 0.8655 | 0.9419 | 0.7063 | 0.6984 | 2.0744 |
| [FA (26:0/2:0)] Hexacosanedioic acid | 0.6948 | 1.2815 | 0.1524 | NA | 0.0423 | NA | 0.0870 | 2.8218 | 4.9821 | NA | 0.0769 | 0.0909 | NA | 0.1436 | 2.0071 | 3.4425 | NA | 0.0677 | 0.1958 | 0.0527 | 0.3494 | 0.7065 |
| [FA (6:0)] hexanal | 1.4123 | 0.7339 | 1.4245 | 1.3428 | 1.1383 | 0.8364 | 2.0188 | 1.4131 | 0.5585 | 0.6393 | 1.5197 | 1.6901 | 1.3562 | 1.3340 | 1.2225 | 0.9755 | 1.7121 | 1.0074 | 1.1816 | 0.6908 | 0.7838 | 0.3216 |
| FA (8:0) octanoic acid | 1.6214 | 0.5920 | 1.3995 | 1.1259 | 1.0475 | 1.6726 | 1.1463 | 1.2223 | 0.6943 | 1.2345 | 1.1435 | 1.4498 | 1.3142 | 1.6214 | 1.7920 | 0.7968 | 1.0031 | 1.4279 | 1.2573 | 1.3597 | 1.2231 | 0.5298 |
| FA (8:1) | 1.3255 | 0.6569 | 1.2634 | 1.1686 | 0.9775 | 1.6433 | 1.2033 | 0.9385 | 0.7146 | 1.4568 | 1.1320 | 1.2490 | 1.1675 | 1.2554 | 1.7928 | 1.4284 | 0.9383 | 1.2823 | 1.1231 | 1.1639 | 1.1708 | 0.8218 |
| [FA amino,oxo(6:0/2:0)] 2-amino-3-oxo-hexanedioic acid | 1.3293 | 1.4895 | 0.9894 | 1.0182 | 1.3247 | 0.9453 | 1.3075 | 1.2763 | 1.2976 | 0.8715 | 0.9411 | 0.9252 | 0.9794 | 1.1242 | 1.5223 | 1.6780 | 1.1135 | 1.1819 | 1.0494 | 0.9599 | 1.2068 | 1.1968 |
| [FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic acid | 1.4624 | 3.1726 | 0.5895 | 0.4190 | 0.5984 | 0.7446 | 0.9288 | 1.3884 | 0.9456 | 0.6688 | 1.0555 | 0.7103 | 0.6518 | 0.9229 | 2.1285 | 2.8528 | 0.7829 | 0.7552 | 0.6898 | 0.6047 | 0.9744 | 0.9519 |
| FA ethyl(6:0) | 0.9972 | 1.0062 | 0.9707 | 0.9465 | 1.0495 | 1.0981 | 0.9725 | 1.0554 | 1.1813 | 1.0284 | 1.0709 | 1.1785 | 1.0940 | 1.1403 | 0.9882 | 0.9698 | 1.0692 | 1.0113 | 1.1119 | 1.0055 | 1.0108 | 0.9605 |
| Fagaramide | 0.9069 | 0.8394 | 1.1665 | 1.1133 | 1.1350 | 1.2205 | 0.9992 | 0.9264 | 0.9114 | 1.1613 | 1.1699 | 1.1225 | 1.1749 | 0.9788 | 0.8136 | 0.7854 | 1.0842 | 1.0357 | 0.9076 | 1.1539 | 0.9127 | 1.0416 |
| FA hydroxy(10:0) | 3.0509 | 4.0002 | 0.2749 | 0.2492 | 1.2609 | 0.1358 | 2.0676 | 1.5739 | 1.4740 | 0.2485 | 0.2358 | 0.2480 | 0.1752 | 1.1577 | 3.6377 | 3.7933 | 0.5239 | 0.9660 | 1.3266 | 0.1726 | 1.8588 | 1.3871 |
| FA hydroxy(16:0)] hexadecanoic acid | 1.3771 | 1.6880 | 0.8298 | 0.6727 | 0.7579 | 0.6022 | 0.8570 | 2.8907 | 3.0240 | 0.8399 | 1.0988 | 0.7858 | 0.6117 | 1.2505 | 1.1838 | 1.5666 | 0.6795 | 0.7286 | 0.8290 | 0.7023 | 0.8918 | 1.1621 |
| FA hydroxy(18:0) | 0.8299 | 1.1542 | 1.6734 | 0.7903 | 0.7619 | 0.7655 | 0.8562 | 1.3660 | 1.1131 | 3.5792 | 1.1653 | 0.8771 | 0.8933 | 0.8916 | 1.0204 | 0.9309 | 1.0824 | 0.8548 | 1.1374 | 0.7235 | 0.9261 | 1.2467 |
| FA hydroxy(18:1)] | 0.5740 | 0.6513 | 4.1372 | 0.6394 | 0.5943 | 0.5567 | 0.6258 | 0.3586 | NA | 3.7629 | 0.9480 | 0.4226 | 0.7088 | 0.2767 | 3.3946 | 4.5352 | 0.3753 | 0.3575 | 0.3625 | 0.3686 | 0.5752 | 1.5405 |
| [FA methyl(11:0)] 10-methyl-undecanoic acid | 0.9872 | 0.9965 | 0.9203 | 1.0554 | 0.8731 | 0.9542 | 1.0393 | 0.8982 | 1.1147 | 1.0444 | 1.0103 | 1.0248 | 0.9540 | 1.0144 | 1.0018 | 1.0178 | 1.0927 | 1.2395 | 0.9552 | 1.1322 | 1.0547 | 1.0279 |
| FA methyl(12:0) dodecanoic acid | 1.2996 | 1.1985 | 1.2259 | 0.9004 | 1.0810 | 1.4689 | 1.2543 | 1.2328 | 0.7357 | 1.2404 | 1.3044 | 1.2876 | 1.4083 | 1.2403 | 1.3721 | 0.9665 | 1.3292 | 1.3718 | 1.2393 | 1.1978 | 1.2095 | 0.7354 |
| FA methyl(14:0) | 1.0796 | 2.7056 | 0.9442 | 0.6623 | 0.6941 | 0.9333 | 1.0079 | 1.3369 | 0.8889 | 0.7571 | 1.3932 | 1.1526 | 0.9018 | 0.7728 | 1.5446 | 1.6666 | 1.0617 | 0.8542 | 0.8546 | 0.8738 | 1.1265 | 1.2448 |
| FA methyl(16:1) | 3.0973 | 4.3232 | 0.0570 | 0.0254 | 0.1349 | 0.0375 | 0.6310 | 1.7949 | 1.2038 | 0.0323 | 0.1321 | 0.1059 | 0.0391 | 0.3947 | 5.5387 | 7.1872 | 0.0434 | 0.0948 | 0.1575 | 0.0440 | 0.3378 | 1.6501 |
| FA methyl(6:0) | 1.7150 | 0.7740 | 1.2782 | 1.1101 | 1.0053 | 1.5649 | 1.0820 | 1.2630 | 0.7756 | 1.0342 | 1.2201 | 1.2954 | 1.2843 | 1.7751 | 2.0673 | 0.9500 | 1.1038 | 1.3330 | 1.3849 | 1.3275 | 1.3065 | 0.6589 |
| FA methyl(8:0) | 1.7311 | 0.4509 | 1.4250 | 1.1652 | 0.9723 | 1.7516 | 1.3478 | 1.1240 | 0.5336 | 1.4455 | 1.0957 | 1.5201 | 1.3967 | 1.4918 | 1.6976 | 0.5970 | 1.0494 | 1.3092 | 1.2372 | 1.6230 | 1.1960 | 0.4599 |
| FA methyl (8:1) | 1.3058 | 0.7106 | 1.3244 | 1.1525 | 1.1430 | 1.8111 | 1.3411 | 1.1235 | 0.6657 | 1.5559 | 1.1777 | 1.4984 | 1.5099 | 1.4878 | 1.2914 | 0.7428 | 1.1953 | 1.3077 | 1.4926 | 1.4715 | 1.0799 | 0.6011 |
| FA oxo(13:0) tridecanoic acid | 2.5696 | 2.6108 | NA | NA | 0.5624 | NA | 1.5613 | 1.5847 | 2.0166 | NA | NA | NA | NA | 0.9166 | 1.1201 | 1.2145 | 0.4105 | 0.4037 | 0.4323 | NA | 0.5791 | 0.7833 |
| FA oxo(18:0) | 0.9329 | 1.3425 | 1.2792 | 0.3160 | 0.4108 | 0.4054 | 0.6902 | 1.2509 | 0.9171 | 1.3899 | 1.5026 | 0.8783 | 0.4232 | 0.5800 | 4.5386 | 6.4969 | 0.3523 | 0.4042 | 0.4469 | 0.3683 | 0.5558 | 1.8759 |
| [FA oxo(6:0)] N-(3-oxo-hexanoyl)-homoserine lactone | 0.9800 | 0.9966 | 1.1092 | 1.2259 | 0.9196 | 1.3684 | 1.0594 | 1.2979 | 1.4446 | 1.5342 | 1.4098 | 1.5431 | 1.1897 | 1.1602 | 0.8473 | 0.7312 | 0.8005 | 0.7514 | 0.9610 | 0.9238 | 0.6584 | 1.0960 |
| FA oxo(8:0) oxo-octanoic acid | 0.8117 | 0.8308 | 0.7043 | 0.9801 | 1.1972 | 1.0552 | 0.9889 | 1.2102 | 1.0859 | 1.1970 | 1.1805 | 1.0079 | 1.2300 | 1.2329 | 1.0868 | 1.0206 | 0.8599 | 0.8420 | 1.1844 | 1.0023 | 0.9088 | 1.0141 |
| FA oxo(9:0) oxo-nonanoic acid | 1.1263 | 0.9101 | 1.4884 | 1.0742 | 1.0124 | 1.0255 | 1.6698 | 1.6510 | 0.4686 | 1.1590 | 1.3901 | 1.3327 | 0.9866 | 1.0550 | 0.9064 | 0.8001 | 1.2897 | 1.3372 | 1.1135 | 1.2473 | 1.0201 | 0.7705 |
| [FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid | 0.8966 | 0.8846 | 0.9603 | 0.9504 | 0.9603 | 1.0865 | 0.9680 | 0.9504 | 0.9252 | 0.9372 | 0.9383 | 0.9504 | 0.9844 | 0.9021 | 1.6297 | 1.4443 | 1.4399 | 1.4333 | 1.4344 | 1.2840 | 1.4970 | 1.1600 |
| formycin A | 0.9442 | 1.0472 | 0.7877 | 0.9121 | 0.9489 | 0.9247 | 1.0731 | 0.9960 | 1.0470 | 1.0521 | 1.0283 | 1.1077 | 1.0832 | 0.9331 | 0.9244 | 0.7173 | 0.8982 | 0.9665 | 0.8653 | 1.2164 | 0.8759 | 0.9694 |
| furaneol glucopyranoside | 1.0313 | 0.9752 | 1.1397 | 1.0323 | 1.1652 | 1.3496 | 0.9337 | 1.0599 | 0.8826 | 1.0255 | 0.9823 | 1.0417 | 1.1293 | 0.8275 | 1.0220 | 0.7578 | 0.8826 | 1.0119 | 0.8861 | 0.9573 | 0.7550 | 0.9764 |
| Furfural diethyl acetal | 0.6409 | 0.6430 | 1.6393 | 1.7023 | 1.1597 | 1.4754 | 0.8216 | 0.7392 | 0.6837 | 1.6627 | 1.7854 | 1.6954 | 1.4543 | 0.8810 | 0.3206 | 0.3193 | 0.8127 | 0.5276 | 0.3681 | 1.2786 | 0.3832 | 1.0047 |
| gamma-Amino-gamma-cyanobutanoate | 0.9811 | 0.9540 | 0.9989 | 1.0479 | 1.1914 | 0.9643 | 1.0094 | 0.9758 | 1.1713 | 1.0691 | 1.2823 | 1.2259 | 1.0678 | 0.8686 | 1.0385 | 1.0641 | 1.2244 | 1.2241 | 0.9733 | 1.0321 | 1.1527 | 1.0512 |
| gamma-Glutamyl-beta-cyanoalanine | 1.1608 | 1.0273 | 0.9983 | 1.0467 | 1.1420 | 1.0457 | 1.0244 | 1.0238 | 0.9976 | 0.9737 | 0.9425 | 0.9371 | 0.9577 | 1.0269 | 0.9487 | 0.9302 | 1.0444 | 0.9967 | 0.8243 | 0.9439 | 1.0250 | 0.9459 |
| gamma-glutamyl-p-nitroanilide | 1.1665 | 1.7470 | NA | NA | 0.2853 | NA | 0.5314 | 0.5637 | 0.8187 | NA | NA | NA | NA | 0.2904 | 2.1407 | 2.8774 | NA | 0.3409 | 0.5721 | NA | 0.9449 | 0.6696 |
| gamma-Undecalactone | 3.2530 | 4.5970 | 0.1029 | 0.0858 | 0.6958 | 0.0687 | 1.5446 | 1.2672 | 1.3898 | 0.0817 | 0.0830 | 0.0699 | 0.0784 | 0.4157 | 4.2656 | 5.3382 | 0.3041 | 0.6735 | 1.0995 | 0.0688 | 1.9010 | 1.4442 |
| Gentioflavine | 1.1204 | 1.2399 | 0.9569 | 0.9997 | 1.0813 | 0.8818 | 0.8178 | 1.6316 | 1.3748 | 1.0883 | 1.1715 | 1.2901 | 1.0628 | 1.0726 | 0.9105 | 1.4956 | 1.2921 | 0.9753 | 0.8795 | 0.9102 | 0.9958 | 1.0374 |
| Gln-Gln-Pro-Pro | 0.7039 | 0.5853 | 1.2333 | 1.3878 | 1.6188 | 1.0194 | 0.7756 | 0.6936 | 0.8084 | 1.3783 | 1.4990 | 1.5635 | 1.2228 | 0.8441 | 0.7249 | 0.5224 | 0.8552 | 0.8246 | 0.6913 | 1.0077 | 0.9750 | 1.0319 |
| Gln-Ile-Gln-Ile | 1.1124 | 0.9733 | 1.0112 | 0.8031 | 0.8287 | 0.8345 | 1.1830 | 1.0664 | 1.1228 | 0.9348 | 0.8400 | 0.8111 | 0.9573 | 1.0463 | 0.9876 | 0.8006 | 1.0755 | 1.1978 | 1.0620 | 1.0759 | 1.1872 | 1.0687 |
| Gln-Ile-Ile-Tyr | 0.6116 | 0.6564 | 1.5280 | 1.3315 | 1.3122 | 1.0949 | 0.8468 | 0.7508 | 0.6567 | 1.2297 | 1.3237 | 1.3869 | 1.1504 | 0.8081 | 0.8471 | 0.5934 | 0.8981 | 0.9656 | 0.8432 | 0.9683 | 0.9024 | 1.0510 |
| Gln-KPA | 0.8676 | 0.8076 | 0.8695 | 1.0287 | 1.0615 | 0.9133 | 0.9342 | 0.9966 | 0.9467 | 1.0305 | 1.0211 | 1.0699 | 0.9790 | 1.0508 | 0.9332 | 0.8944 | 1.1338 | 1.0498 | 0.9599 | 1.0580 | 1.0525 | 1.0708 |
| Gln-Leu-Met-Gln | 0.9197 | 0.8778 | 0.9603 | 1.0071 | 0.8987 | 1.0532 | 1.0339 | 1.0874 | 1.1025 | 1.0096 | 1.0838 | 1.0690 | 1.0521 | 1.2533 | 0.7168 | 0.5978 | 1.0276 | 1.0521 | 0.9185 | 0.9957 | 0.9183 | 0.9672 |
| Gln-Lys-Pro-Pro | 0.1063 | 0.0741 | 1.5148 | 1.5024 | 0.9721 | 1.5084 | 0.4254 | 0.5433 | 0.4328 | 1.4877 | 1.5371 | 1.4536 | 1.4004 | 0.9080 | NA | NA | 0.5764 | 0.1855 | 0.0947 | 1.4617 | 0.0401 | 0.8821 |
| Gln-Phe-Phe-Tyr | 0.8227 | 0.9781 | 1.0938 | 1.1691 | 0.9488 | 0.9435 | 1.0007 | 1.1124 | 1.3147 | 1.0983 | 1.3129 | 1.1141 | 1.1576 | 1.0026 | 0.9657 | 0.8620 | 0.9636 | 1.0298 | 0.9680 | 0.9560 | 1.1753 | 0.5387 |
| Gln-Pro | 0.8521 | 0.9011 | 1.1118 | 0.9837 | 1.2370 | 1.1373 | 1.0140 | 1.0956 | 0.9052 | 1.0186 | 1.1238 | 1.0712 | 0.9916 | 0.9554 | 0.9398 | 0.8475 | 0.9903 | 0.9462 | 0.9537 | 0.9685 | 1.0158 | 1.0494 |
| Glu-Ala-Ala | 1.0366 | 1.1325 | 0.7081 | 0.9323 | 0.9424 | 0.9995 | 0.9854 | 1.1105 | 0.9610 | 0.9241 | 0.9490 | 0.8440 | 0.8971 | 1.3980 | 1.0629 | 1.1792 | 0.9762 | 1.0229 | 1.0111 | 1.0679 | 1.0732 | 1.0560 |
| Glu-Ala-Asp | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 0.3371 | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.2018 |
| Glu-Ala-Gln-Gln | 0.8723 | 0.5497 | NA | 0.3699 | 0.5433 | NA | 0.6761 | 0.4963 | 0.3252 | NA | NA | NA | NA | 0.3180 | 1.9073 | 1.7616 | 1.1760 | 1.7142 | 1.8633 | 0.9567 | 2.0047 | 0.7168 |
| Glu-Ala-Gly-His | 0.6932 | 0.5981 | 1.1806 | 0.8635 | 1.1543 | 1.0157 | 0.8615 | 0.8385 | 0.8308 | 0.9994 | 1.3128 | 1.0742 | 1.0160 | 0.9596 | 0.9494 | 0.8707 | 1.0914 | 1.2398 | 1.0758 | 1.1056 | 1.1265 | 1.0329 |
| Glu-Ala-Thr | 1.4632 | 1.8431 | NA | NA | 0.5979 | NA | 0.9615 | 0.6468 | 0.7656 | NA | NA | NA | NA | 0.8385 | 1.0077 | 0.7961 | NA | 0.2248 | 0.3500 | NA | 0.5386 | 1.6554 |
| Glu-Ala-Tyr | 0.5712 | 0.5458 | 1.2263 | 1.1714 | 1.1020 | 1.1559 | 0.8012 | 0.8065 | 0.8222 | 1.1279 | 1.0667 | 1.0389 | 1.1543 | 0.7048 | 0.6597 | 0.4259 | 1.1407 | 1.1915 | 1.0463 | 1.2802 | 0.9542 | 0.9535 |
| Glu-Asp-Ile | 1.0174 | 1.0050 | 1.0144 | 0.9525 | 1.0664 | 0.9802 | 0.9325 | 0.9577 | 0.9443 | 1.0430 | 1.0301 | 1.0411 | 0.9297 | 0.9075 | 1.1181 | 1.0571 | 1.0240 | 1.0481 | 0.9384 | 0.9972 | 1.1166 | 1.0207 |
| Glu-Asp-Met | 1.0497 | 1.5998 | 0.7455 | 0.7692 | 0.9837 | 0.8250 | 1.1379 | 0.9839 | 1.2504 | 0.9358 | 0.8751 | 0.9011 | 1.0252 | 0.8876 | 1.1891 | 1.1227 | 0.8868 | 0.9880 | 0.9475 | 0.8262 | 1.0833 | 1.2007 |
| Glu-Asp-Pro-Tyr | 1.1060 | 0.8991 | 1.0053 | 1.1128 | 1.2656 | 1.1218 | 0.9303 | 1.1256 | 1.1034 | 1.1791 | 1.0370 | 1.0881 | 1.1791 | 0.9807 | 0.7667 | 0.8000 | 0.9670 | 0.8977 | 0.6968 | 0.9392 | 0.7720 | 0.9586 |
| Glu-Asp-Trp | 0.4879 | 0.4683 | 0.7022 | 0.7930 | 0.7345 | 0.8997 | 0.5672 | 0.6785 | 0.7409 | 0.7223 | 0.7725 | 0.7776 | 0.7567 | 0.8002 | 1.2257 | 1.3026 | 1.9167 | 1.8097 | 1.5773 | 1.9162 | 1.3549 | 0.8186 |
| Glu-Cys-Cys | 0.7572 | 0.7173 | 0.7616 | 0.8443 | 1.0746 | 0.8929 | 1.1018 | 1.2405 | 1.2094 | 0.8794 | 0.8415 | 0.8812 | 1.1382 | 1.3080 | 0.6031 | 0.4048 | 1.4942 | 1.2647 | 1.0638 | 1.2733 | 0.8461 | 1.0042 |
| Glu-Glu-Gln-Ile | 1.2277 | 1.2346 | NA | NA | 0.5874 | NA | 0.9022 | 1.0583 | 1.1604 | NA | NA | NA | NA | 0.7270 | 1.4835 | 1.2851 | 0.5969 | 1.0079 | 1.1931 | NA | 1.4333 | 0.7009 |
| Glu-Glu-Gln-Phe | 1.0006 | 1.1290 | 0.8955 | 0.8693 | 0.9899 | 0.9392 | 0.9027 | 1.0121 | 1.0637 | 0.9946 | 0.9727 | 0.8848 | 1.0673 | 0.9122 | 1.1613 | 1.2298 | 0.9747 | 0.9946 | 0.9182 | 0.9987 | 1.0647 | 1.0165 |
| Glu-Glu-His | 1.0371 | 1.0699 | 0.9826 | 1.0467 | 0.9748 | 1.0319 | 1.0824 | 0.9170 | 0.9591 | 0.9763 | 0.9272 | 1.0292 | 0.9882 | 0.9489 | 0.9922 | 0.9712 | 0.9958 | 0.9825 | 0.8769 | 1.0859 | 0.9873 | 1.0078 |
| Glu-Glu-His-Ile | 0.9785 | 1.1243 | 0.8785 | 0.8971 | 0.8873 | 0.9530 | 1.1221 | 1.1578 | 1.0252 | 0.9331 | 0.9150 | 0.9725 | 0.9567 | 0.9463 | 0.9708 | 1.0611 | 0.9209 | 1.1194 | 1.0021 | 1.0479 | 1.0104 | 1.0032 |
| Glu-Glu-Ile-Tyr | 0.6197 | 0.5706 | 1.3456 | 1.5177 | 1.5342 | 1.1144 | 0.8446 | 0.7417 | 0.8228 | 1.4809 | 1.4606 | 1.4846 | 1.1471 | 0.8698 | 0.7340 | 0.4581 | 0.8071 | 0.8493 | 0.7902 | 0.9285 | 0.8830 | 1.0208 |
| Glu-Glu-Ile-Val | 0.8826 | 0.8452 | 1.0029 | 1.0777 | 1.1652 | 0.9537 | 0.8644 | 1.0374 | 0.8909 | 1.0739 | 1.1571 | 1.0664 | 1.0565 | 0.9694 | 0.9941 | 0.9775 | 0.9366 | 1.0470 | 1.0538 | 0.9847 | 1.0027 | 0.9986 |
| Glu-Glu-Met-Met | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| Glu-Glu-Tyr-Tyr | 0.7475 | 0.7023 | 1.1853 | 1.3467 | 1.4081 | 1.2100 | 0.8544 | 0.8070 | 0.7656 | 1.4176 | 1.4683 | 1.3646 | 1.2987 | 0.8981 | 0.5870 | 0.5884 | 0.7883 | 0.7491 | 0.7304 | 0.9244 | 0.9112 | 1.0104 |
| Glu-Gly-Met | 1.0504 | 1.2016 | 1.0526 | 1.3468 | 1.0173 | 1.1995 | 0.9562 | 0.9920 | 1.1285 | 1.2103 | 0.9728 | 1.0276 | 0.9925 | 1.0246 | 0.8808 | 1.0042 | 0.8858 | 0.8050 | 0.6139 | 0.9547 | 0.9440 | 0.9874 |
| Glu-Gly-Thr | 0.8541 | 1.0666 | 0.9278 | 0.9500 | 1.2119 | 1.0329 | 0.9659 | 0.9129 | 0.8729 | 1.1384 | 1.0653 | 1.0313 | 1.0140 | 0.9807 | 0.9579 | 1.0248 | 1.0607 | 1.0958 | 0.9466 | 0.9862 | 1.0400 | 0.9684 |
| Glu-Gly-Tyr | 1.0354 | 1.1905 | 1.0293 | 1.1010 | 1.0417 | 0.9370 | 0.9184 | 0.9684 | 1.0921 | 0.9817 | 1.0924 | 0.9270 | 1.0310 | 0.9900 | 1.4349 | 1.0720 | 0.9882 | 0.9420 | 0.9402 | 0.9781 | 1.0303 | 0.9637 |
| Glu-Gly-Val | 0.9510 | 0.9346 | 0.9451 | 0.9583 | 0.9855 | 0.9753 | 1.0157 | 0.9873 | 1.0084 | 0.9955 | 0.9764 | 0.9963 | 0.9974 | 0.9746 | 1.0035 | 1.0346 | 1.1131 | 1.0659 | 0.9845 | 1.0356 | 1.0510 | 0.9929 |
| Glu-Ile-Lys-Lys | 0.5179 | 0.4751 | 1.2053 | 1.2583 | 1.2742 | 1.0002 | 0.7741 | 0.7286 | 0.6789 | 1.3834 | 1.2220 | 1.3420 | 1.0921 | 0.7889 | 0.5990 | 0.5082 | 0.7358 | 0.8366 | 0.7447 | 0.8195 | 0.6732 | 1.8064 |
| Glu-Ile-Lys-Thr | 0.7182 | 0.7378 | 1.3036 | 1.4056 | 1.2442 | 1.0031 | 0.8569 | 0.7541 | 0.8165 | 1.4278 | 1.3607 | 1.3707 | 1.1080 | 0.9476 | 0.7749 | 0.7164 | 0.8543 | 0.9489 | 0.7950 | 1.0515 | 0.8023 | 0.9580 |
| Glu-Ile-Met-Phe | NA | 0.1193 | 2.4184 | 0.3757 | 0.1443 | 1.5739 | NA | NA | NA | 2.5047 | 0.2308 | NA | 1.4962 | NA | NA | NA | NA | NA | NA | NA | NA | 0.5654 |
| Glu-Ile-Met-Trp | 0.5302 | 0.5073 | 1.3059 | 1.2842 | 1.0721 | 1.1605 | 0.7314 | 0.7673 | 0.7093 | 1.2538 | 1.1880 | 1.3448 | 1.2774 | 1.0823 | 0.4870 | 0.3460 | 0.9227 | 0.9778 | 0.7377 | 0.9673 | 0.5799 | 0.8965 |
| Glu-Ile-Ser-Thr | 0.9023 | 1.1271 | 0.8827 | 1.2458 | 1.1789 | 0.9804 | 0.8011 | 1.0388 | 0.9089 | 1.1012 | 1.1117 | 1.1285 | 0.8941 | 1.1563 | 1.0266 | 0.9319 | 0.9029 | 1.0308 | 0.9571 | 1.0147 | 1.0540 | 1.0358 |
| Glu-Ile-Ser-Tyr | 0.7749 | 0.6644 | 1.3180 | 1.5894 | 1.4153 | 1.0198 | 0.9291 | 0.8151 | 0.7830 | 1.4007 | 1.3736 | 1.3898 | 1.0944 | 0.9004 | 0.7102 | 0.6076 | 0.8367 | 0.8515 | 0.8805 | 0.9181 | 0.7869 | 1.0136 |
| Glu-Leu-Lys-His | 0.6441 | 0.6355 | 1.2539 | 1.2827 | 1.3276 | 1.1262 | 0.9627 | 0.8038 | 0.7464 | 1.3618 | 1.1877 | 1.1453 | 0.9446 | 0.8888 | 0.8480 | 0.7930 | 1.0020 | 1.0620 | 0.9144 | 1.0466 | 0.9550 | 0.9968 |
| Glu-Lys-Asp-Pro | 0.9684 | 0.9197 | 1.0416 | 0.9608 | 1.0705 | 0.8706 | 0.9391 | 0.9239 | 1.0185 | 1.1786 | 1.1740 | 1.1231 | 1.0513 | 1.0396 | 0.9359 | 0.9394 | 1.0025 | 1.1005 | 0.8929 | 0.8763 | 0.8955 | 0.9650 |
| Glu-Lys-Lys-Val | 1.3611 | 1.5328 | 0.7736 | 0.8150 | 1.1162 | 0.7838 | 1.2651 | 1.1312 | 1.3589 | 0.8383 | 0.9272 | 0.6971 | 0.7698 | 0.9428 | 1.2289 | 1.3351 | 1.0693 | 1.1524 | 1.1582 | 0.7912 | 1.1636 | 1.0712 |
| Glu-Lys-Met-His | 0.8371 | 0.7916 | 1.4814 | 1.5516 | 1.4120 | 1.0744 | 0.9928 | 0.7872 | 0.8939 | 1.3404 | 1.5858 | 1.5629 | 1.2977 | 0.8911 | 0.6067 | 0.5863 | 0.6649 | 0.6939 | 0.5326 | 0.7772 | 0.5613 | 0.9280 |
| Glu-Met-Met-Arg | 1.2782 | 1.0740 | 0.9450 | 0.9324 | 1.0252 | 1.0168 | 1.0995 | 1.1413 | 0.9812 | 0.8534 | 0.7913 | 0.7412 | 0.7922 | 1.0527 | 1.1523 | 0.9868 | 1.3826 | 1.3872 | 1.3920 | 1.0726 | 1.3424 | 0.6362 |
| Glu-Met-Met-Thr | 1.0189 | 1.0632 | 0.8959 | 0.9970 | 1.1944 | 1.0225 | 0.9553 | 0.8949 | 0.9504 | 1.2347 | 1.1204 | 1.0994 | 0.9950 | 0.9455 | 0.8740 | 0.7997 | 0.9148 | 0.8794 | 0.7663 | 0.9978 | 1.0085 | 1.1082 |
| Glu-Met-Ser | 0.8969 | 0.9526 | 1.1294 | 1.0771 | 1.1753 | 1.0674 | 0.9394 | 0.8476 | 1.1677 | 1.0443 | 1.2081 | 1.1770 | 1.0382 | 0.8782 | 1.0423 | 0.9374 | 0.9454 | 0.9523 | 0.9276 | 0.8982 | 1.0990 | 0.9547 |
| Glu-Met-Thr | 0.6573 | 0.6128 | 1.2359 | 1.2799 | 1.2429 | 1.1015 | 0.8753 | 0.8320 | 0.8870 | 1.3514 | 1.3624 | 1.3582 | 1.2409 | 1.0018 | 0.5476 | 0.4289 | 0.9043 | 0.9060 | 0.7896 | 0.9483 | 0.8283 | 0.9545 |
| Glu-Met-Thr-Ser | 0.7521 | 0.7406 | 1.1362 | 1.0838 | 1.2846 | 0.9758 | 0.8343 | 0.9322 | 0.9443 | 1.1477 | 1.3754 | 1.2010 | 1.1247 | 0.9075 | 0.5856 | 0.5766 | 1.0133 | 0.8894 | 0.7442 | 1.2166 | 0.6544 | 0.9856 |
| Glu-Pro-Ser | 1.9053 | 1.9408 | 0.7295 | 0.8535 | 0.9722 | 0.8123 | 1.3151 | 1.2402 | 1.4256 | 0.9025 | 0.8832 | 0.8376 | 0.8542 | 0.8414 | 1.4761 | 1.6791 | 0.6697 | 0.6470 | 0.7405 | 0.8973 | 0.8334 | 1.0210 |
| Glu-Pro-Thr | 1.2186 | 1.1619 | 1.0294 | 1.0250 | 0.8744 | 0.9232 | 1.1701 | 1.1049 | 1.0736 | 0.9091 | 0.9846 | 1.1070 | 0.8252 | 0.7933 | 0.9964 | 0.9637 | 0.7986 | 1.0707 | 0.8265 | 1.0096 | 0.9815 | 1.0641 |
| Glu-Pro-Tyr | 0.5434 | 0.4893 | 1.1176 | 1.0791 | 0.9720 | 1.1134 | 0.7605 | 0.9678 | 1.0020 | 1.0877 | 1.1819 | 1.0791 | 1.1305 | 0.9592 | 0.5136 | 0.3616 | 1.2033 | 1.1348 | 0.9421 | 1.1947 | 0.9335 | 0.9335 |
| Glu-Ser-Tyr | 0.9551 | 0.9835 | 0.8958 | 1.0200 | 0.9076 | 0.9335 | 0.8953 | 0.8718 | 1.0759 | 1.1205 | 1.0103 | 0.9181 | 1.0341 | 0.9691 | 0.8721 | 0.9239 | 0.9650 | 1.0131 | 0.9415 | 0.9925 | 1.1396 | 1.0481 |
| glutathione-sulfite | 0.1329 | 0.1094 | 1.1041 | 1.1632 | 1.0226 | 1.1141 | 0.3945 | 1.0884 | 0.8584 | 1.0734 | 0.9484 | 1.0538 | 1.1102 | 1.2842 | 0.3487 | 0.3221 | 1.3578 | 1.2481 | 0.8721 | 1.1487 | 0.7201 | 1.8502 |
| Glu-Thr-Pro-His | 0.8681 | 0.9548 | 0.7620 | 0.8103 | 0.8982 | 0.8266 | 0.9395 | 0.9394 | 1.0822 | 0.9015 | 1.0170 | 1.0417 | 0.9460 | 0.9185 | 0.6689 | 0.9098 | 0.7642 | 0.8340 | 0.6829 | 0.7814 | 0.9400 | 1.9915 |
| Glu-Thr-Thr-Thr | 0.9274 | 0.9654 | 1.0201 | 0.9201 | 0.9478 | 0.9789 | 0.9696 | 1.0399 | 0.9343 | 0.9881 | 0.9506 | 1.0236 | 1.0366 | 1.0222 | 0.9907 | 1.0639 | 0.9077 | 0.9932 | 1.0327 | 0.9371 | 0.9020 | 1.0336 |
| Glu-Thr-Tyr | 0.9630 | 0.8677 | 0.9613 | 0.8784 | 0.9458 | 1.1149 | 1.0473 | 1.0024 | 1.0777 | 1.0995 | 0.9488 | 1.1490 | 1.0298 | 0.9577 | 0.7790 | 0.6458 | 0.9860 | 0.9955 | 0.9666 | 1.0771 | 1.1499 | 1.0001 |
| Glu-Trp-Arg-His | 0.6974 | NA | 0.6184 | NA | NA | NA | NA | NA | NA | NA | NA | 0.6527 | 0.8447 | 0.7845 | 1.2538 | 1.2131 | 1.2285 | 1.1918 | 1.3360 | 1.0606 | 1.3702 | 0.8396 |
| Glu-Tyr-Tyr | 0.5002 | 0.3658 | 1.2713 | 1.3283 | 1.2261 | 1.1792 | 0.8170 | 0.7868 | 0.6975 | 1.2475 | 1.3034 | 1.2637 | 1.2217 | 0.9630 | 0.4434 | 0.2509 | 1.1343 | 1.0878 | 0.9746 | 1.1804 | 0.9245 | 0.9590 |
| Glycerol | 1.1532 | 0.6970 | 1.4378 | 1.1637 | 1.0266 | 1.3222 | 1.4268 | 1.0485 | 0.6726 | 1.4569 | 1.5339 | 1.2198 | 1.0919 | 1.1266 | 1.1351 | 0.8419 | 0.9780 | 1.1781 | 0.9827 | 1.1553 | 1.4284 | 0.5266 |
| Glycerone phosphate | 1.2260 | 1.6358 | 0.8668 | 0.5612 | 0.9520 | 2.4664 | 1.2575 | 0.4205 | 0.6053 | 0.5581 | NA | NA | 2.6382 | 0.4400 | 0.8394 | 1.1475 | NA | 0.1958 | 0.5469 | NA | 0.7259 | 0.8991 |
| Glycerophosphoglycerol | 1.4034 | 1.4821 | 0.5546 | 0.5401 | 1.2522 | 0.6405 | 1.2977 | 1.3407 | 1.4460 | 0.5169 | 0.5152 | 0.6980 | 0.6538 | 1.4292 | 1.5528 | 1.5075 | 1.4533 | 1.6293 | 1.4456 | 0.8512 | 1.5041 | 1.1331 |
| glycerophosphoserine | NA | NA | 1.3847 | 1.3208 | 0.6319 | 1.1292 | 0.3188 | NA | NA | 1.3212 | 1.3773 | 1.1994 | 1.2756 | 0.4614 | NA | NA | 0.5659 | 0.2978 | 0.2550 | 1.1738 | NA | 0.6544 |
| Gly-Ser | 0.8552 | 0.9448 | 1.1388 | 1.1172 | 1.1772 | 0.9368 | 0.9710 | 0.8645 | 0.9294 | 1.0913 | 1.1613 | 1.0901 | 1.0311 | 0.8657 | 0.8762 | 0.9102 | 1.0386 | 1.0281 | 0.9266 | 0.9945 | 0.9591 | 1.0233 |
| Guanine | NA | NA | 1.1602 | 0.6112 | 0.3370 | 2.1625 | 0.0869 | NA | NA | 1.1491 | 0.1042 | 0.1287 | 2.3823 | 0.1003 | NA | NA | 0.7928 | 0.1005 | NA | 3.4876 | NA | 0.6849 |
| Guanosine | NA | NA | 0.9003 | 0.5384 | NA | 1.4072 | NA | NA | NA | 0.8823 | 0.6203 | 0.6883 | 1.2636 | NA | NA | NA | 0.4958 | NA | NA | 1.0607 | NA | 0.4896 |
| Guanosine 3^-phosphate | 0.9209 | 1.0822 | 0.9355 | 0.8096 | 0.8979 | 0.8933 | 1.0030 | 0.9011 | 1.0046 | 1.0198 | 1.0013 | 0.8994 | 0.9177 | 0.8673 | 1.2590 | 1.2284 | 1.0496 | 1.1119 | 1.0720 | 0.9622 | 1.2066 | 1.0927 |
| GYKI 52895 | 0.9182 | 0.8146 | 0.9941 | 0.9045 | 1.0934 | 0.8917 | 1.0054 | 0.9740 | 0.8606 | 1.1636 | 1.0342 | 1.1958 | 1.2080 | 1.1009 | 0.7292 | 0.7631 | 0.9588 | 0.9582 | 0.9090 | 1.1308 | 0.9888 | 0.9785 |
| H2S2O3 | 1.6312 | 1.9749 | 1.0553 | 0.8505 | 1.3897 | 0.6327 | 1.6027 | 0.9947 | 1.1527 | 1.2440 | 1.1311 | 0.6226 | 0.8226 | 1.0696 | 0.6516 | 0.4620 | 0.7479 | 0.7131 | 0.6585 | 0.9293 | 0.6208 | 1.2059 |
| Hexadecanoic acid | 1.0615 | 1.8912 | 0.9074 | 0.7596 | 0.6491 | 0.8390 | 0.7876 | 1.7340 | 1.2950 | 0.7642 | 1.3090 | 0.6880 | 1.1176 | 0.8390 | 1.3915 | 1.8367 | 0.7736 | 0.8981 | 1.1658 | 0.6428 | 0.8592 | 1.5358 |
| Hexanoic acid | 1.3770 | 1.0757 | 1.3081 | 1.0451 | 1.1293 | 1.4144 | 1.2674 | 1.6004 | 1.1029 | 1.2905 | 1.2778 | 1.4855 | 1.3269 | 1.5813 | 1.3331 | 0.9296 | 0.8894 | 1.0696 | 1.2548 | 1.0554 | 0.9144 | 0.7481 |
| Hexanoyl-[acp] | 0.9030 | 0.8864 | 0.9567 | 1.1849 | 1.0352 | 0.8403 | 1.1237 | 1.0952 | 1.0203 | 0.8843 | 0.9845 | 1.0781 | 0.8946 | 1.0058 | 1.1474 | 1.2969 | 1.0599 | 0.9015 | 0.9503 | 0.9724 | 1.0783 | 0.8986 |
| Hexose phosphate | 0.9756 | 1.1646 | 0.9433 | 0.9667 | 1.2281 | 0.9335 | 1.2415 | 1.0155 | 1.0927 | 1.0048 | 0.8862 | 0.8756 | 1.0009 | 1.0624 | 1.0920 | 1.0283 | 1.0432 | 1.0064 | 0.9735 | 0.9919 | 1.0936 | 1.0430 |
| His-Lys-Met-Met | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| His-Lys-Trp-Pro | NA | NA | 1.0831 | 1.0577 | NA | 1.1164 | NA | NA | NA | 1.2507 | 1.1950 | 1.1052 | 1.0788 | NA | NA | NA | NA | NA | NA | 0.4277 | NA | 0.8173 |
| His-Met-Trp-Pro | 0.9645 | 1.1252 | 0.7357 | 0.7574 | 0.9069 | 0.8188 | 1.2110 | 0.9014 | 1.0987 | 1.0689 | 0.9919 | 0.9161 | 0.9200 | 1.0631 | 1.1209 | 1.1081 | 1.0461 | 1.0549 | 1.0246 | 1.0135 | 1.1878 | 0.9803 |
| His-Met-Trp-Val | NA | NA | 1.0879 | 0.9295 | 0.7471 | 0.8869 | NA | 0.5313 | 0.5902 | 1.1553 | 1.1616 | 1.0580 | 1.2578 | 0.9071 | NA | NA | 0.5243 | NA | NA | 1.0310 | NA | 0.9191 |
| Histidylprolinediketopiperazine | 1.1501 | 1.1829 | 0.9471 | 0.8994 | 0.9938 | 1.0059 | 1.0004 | 1.0286 | 1.0597 | 0.9479 | 0.9626 | 0.9468 | 0.9554 | 0.9489 | 1.1229 | 1.2250 | 1.0245 | 1.0044 | 1.0224 | 0.9940 | 1.1146 | 1.0438 |
| Homoisocitrate | 0.9255 | 0.9024 | 1.1271 | 1.1481 | 1.1807 | 1.0903 | 0.9505 | 0.8917 | 0.8078 | 1.1481 | 1.2547 | 1.0362 | 1.1327 | 0.9017 | 1.2336 | 1.0613 | 1.2416 | 1.2202 | 1.0678 | 1.2471 | 1.3470 | 1.1377 |
| Hordatine B | 0.9813 | 0.8467 | 0.9947 | 0.8536 | 0.8876 | 0.9344 | 1.1118 | 1.1615 | 0.9792 | 0.9598 | 0.8893 | 0.9201 | 1.2261 | 1.0210 | 1.0466 | 0.9151 | 1.0639 | 1.0374 | 0.9086 | 0.9610 | 1.0977 | 1.0096 |
| Hydantoin-5-propionate | 0.9871 | 1.1310 | 1.2071 | 1.1928 | 1.1688 | 1.0347 | 1.0048 | 0.9863 | 1.0549 | 1.2318 | 1.0910 | 1.2197 | 1.0859 | 1.0041 | 1.1287 | 1.0904 | 1.0773 | 1.0065 | 1.0207 | 1.0753 | 1.1298 | 1.1495 |
| Hydroxypyruvate | 1.2982 | 1.1232 | 0.4704 | 0.6299 | 1.4264 | 0.6100 | 1.2891 | 2.0175 | 1.6251 | 0.4783 | 0.5120 | 0.7206 | 0.5992 | 1.6260 | 1.8347 | 1.9189 | 1.9086 | 1.9415 | 1.7560 | 0.9265 | 1.8003 | 1.3391 |
| Hymexazol N-glucoside | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| Hymexazol O-glucoside | 0.7669 | 0.8180 | 1.1682 | 1.2096 | 1.2183 | 1.0215 | 0.9615 | 0.8417 | 0.8553 | 1.0906 | 0.8544 | 1.0239 | 1.0359 | 0.7680 | 1.0160 | 1.0884 | 1.1179 | 1.1800 | 1.1944 | 1.0725 | 1.0789 | 1.0338 |
| Hymexazol O-glucoside_1 | 0.8749 | 0.8812 | 1.0677 | 1.1082 | 1.1294 | 0.9763 | 0.9160 | 0.8700 | 0.8513 | 1.1431 | 1.1923 | 1.2168 | 1.0468 | 0.8988 | 0.9663 | 1.0497 | 0.9832 | 0.9705 | 0.9965 | 1.0110 | 0.9866 | 1.0001 |
| Hymexazol O-glucoside_2 | 0.8201 | 0.8087 | 1.1417 | 1.1237 | 1.1466 | 0.9877 | 0.8167 | 0.8280 | 0.8422 | 1.1236 | 1.0828 | 1.0413 | 1.0035 | 0.8460 | 1.1614 | 1.1222 | 1.1602 | 1.1197 | 1.0372 | 1.0267 | 1.0944 | 1.0242 |
| Icaritin 3-rhamnoside | 0.8517 | 0.8852 | 0.8064 | 0.7645 | 0.7951 | 0.6929 | 1.0163 | 1.2402 | 1.2615 | 1.2105 | 1.2689 | 1.0184 | 1.1752 | 1.2614 | NA | NA | NA | NA | NA | NA | NA | 0.6761 |
| Ile-Arg-Lys | 0.0504 | 0.0402 | 1.7306 | 1.7033 | 0.6615 | 1.6573 | 0.2009 | 0.2173 | 0.1197 | 1.7310 | 1.7117 | 1.6722 | 1.6724 | 0.6057 | 0.0577 | 0.0446 | 0.3578 | 0.1622 | 0.1006 | 1.6229 | 0.0857 | 0.9866 |
| Ile-Arg-Ser | NA | NA | 1.1528 | 1.1628 | 0.6772 | 1.2700 | 0.3990 | 0.5234 | 0.3952 | 1.2502 | 1.1215 | 1.1001 | 1.2292 | 0.7593 | NA | NA | 0.7006 | 0.2878 | NA | 1.3650 | NA | 0.6812 |
| Ile-Glu-Glu-Glu | 1.1515 | 1.1762 | 0.7598 | 0.7633 | 0.8626 | 0.6937 | 0.8781 | 0.9485 | 1.0123 | 0.8346 | 0.8792 | 0.8741 | 0.8357 | 0.8475 | 1.2491 | 1.3413 | 0.8524 | 1.0406 | 1.1386 | 0.6818 | 1.1869 | 1.9126 |
| Ile-His | 1.1927 | 1.2791 | 1.0156 | 0.9819 | 1.0471 | 1.0136 | 1.0820 | 1.1528 | 1.1961 | 1.0506 | 1.0415 | 0.9791 | 1.0672 | 1.1226 | 1.1584 | 1.1910 | 1.1271 | 1.0840 | 1.0595 | 1.0774 | 1.1149 | 1.0964 |
| Ile-His-Lys | 1.0080 | 0.8001 | 1.1648 | 1.1213 | 1.1432 | 1.2162 | 1.0742 | 0.9712 | 0.7889 | 1.0690 | 1.0622 | 1.0067 | 1.0661 | 0.8745 | 1.5464 | 1.3916 | 1.2857 | 1.1311 | 1.2307 | 1.2359 | 1.2870 | 1.1696 |
| Ile-Ile-Lys-Pro | 0.9500 | 1.0048 | 1.0463 | 1.1420 | 1.1618 | 1.0469 | 1.0965 | 1.0513 | 1.0369 | 1.1471 | 1.1657 | 1.2661 | 1.2038 | 1.1715 | 0.7720 | 0.7185 | 0.8669 | 0.9205 | 0.8459 | 1.0656 | 0.7920 | 1.0115 |
| Ile-Ile-Met | 0.2557 | 0.1934 | 1.3355 | 1.2417 | 1.0083 | 1.2795 | 0.6006 | 0.4522 | 0.4284 | 1.3568 | 1.3776 | 1.2554 | 1.2335 | 0.8208 | 0.2238 | NA | 1.1128 | 1.0416 | 0.7448 | 1.1716 | 0.5543 | 0.8165 |
| Ile-Lys-Lys | 0.3789 | 0.3074 | 1.3198 | 1.3044 | 1.2058 | 1.2488 | 0.7797 | 0.6367 | 0.5251 | 1.2742 | 1.2922 | 1.2404 | 1.2409 | 0.8602 | 0.6180 | 0.4624 | 1.1960 | 1.2037 | 0.9978 | 1.2472 | 0.9482 | 1.3227 |
| Ile-Met-Met-Met | 1.0787 | 1.2379 | 0.9553 | 0.7700 | 0.9899 | 0.8813 | 1.1651 | 0.9746 | 1.1889 | 0.9930 | 0.9261 | 0.8857 | 0.9248 | 1.0053 | 1.3288 | 1.2156 | 1.1041 | 1.0421 | 1.0241 | 0.9998 | 1.2292 | 1.0243 |
| Ile-Thr-Thr-Ser | 0.9597 | 1.0567 | 0.9902 | 0.9382 | 1.0133 | 1.0185 | 1.0022 | 0.9626 | 1.0490 | 1.0318 | 0.9766 | 0.9414 | 0.9116 | 1.0178 | 1.0413 | 1.0089 | 0.9713 | 0.9478 | 0.9478 | 1.0336 | 0.9919 | 0.9808 |
| Ile-Val-Val-Pro | 0.4296 | 0.2396 | 1.5635 | 1.7994 | 1.3132 | 1.2836 | 0.8254 | 0.4967 | 0.5081 | 1.0718 | 1.1472 | 1.1450 | 0.9954 | 0.6476 | 0.2583 | 0.1404 | 1.3594 | 1.2493 | 1.0942 | 1.3893 | 0.8970 | 0.9123 |
| Imidazol-5-yl-pyruvate | 2.3088 | 2.5956 | 0.9599 | 0.6615 | 1.5843 | 0.5171 | 3.0350 | 2.0398 | 2.1153 | 0.6131 | 0.5677 | 0.4930 | 0.6806 | 1.7173 | 1.8576 | 2.0060 | 0.3640 | 0.5224 | 1.0454 | 0.2643 | 1.0784 | 1.0502 |
| Indicaxanthin | 0.9631 | 0.9996 | 0.9372 | 0.7576 | 0.8893 | 0.9666 | 1.1517 | 1.0191 | 1.0887 | 0.8992 | 0.8864 | 0.9384 | 1.0371 | 1.0375 | 1.1331 | 1.0338 | 1.0666 | 1.1642 | 1.1060 | 1.0749 | 1.2021 | 0.9389 |
| Indole-3-acetyl-beta-1-D-glucose | 0.9619 | 0.9384 | 1.0522 | 1.1346 | 1.1869 | 1.0873 | 0.8150 | 0.8166 | 0.9932 | 1.0538 | 1.1462 | 1.0433 | 1.0616 | 0.8593 | 1.0795 | 0.9637 | 0.9824 | 1.0148 | 0.9186 | 0.9935 | 0.9925 | 1.0125 |
| Indole-3-acetyl-myo-inositol | 0.8806 | 0.9322 | 1.0203 | 1.0532 | 1.2110 | 0.9867 | 0.9452 | 0.7906 | 0.9646 | 0.9978 | 1.0837 | 1.1724 | 1.0006 | 0.9468 | 1.0424 | 0.9821 | 0.9617 | 0.9267 | 1.0181 | 1.1263 | 1.0358 | 1.0305 |
| Ipomoeamarone | 1.2987 | 1.1455 | 0.9849 | 0.9585 | 1.1466 | 0.7037 | 1.1218 | 1.2668 | 1.0295 | 1.0453 | 1.1503 | 1.1053 | 0.8127 | 1.1758 | 1.1242 | 1.4615 | 1.0481 | 0.8826 | 1.0768 | 0.8952 | 1.2363 | 1.1370 |
| Isoclavulanic acid | 0.8175 | 0.8587 | 1.1331 | 1.1241 | 1.2062 | 1.1260 | 0.7436 | 0.8844 | 0.9566 | 0.9903 | 0.8187 | 0.9787 | NA | 0.8925 | 0.7307 | 0.6406 | 0.5787 | 0.6019 | 0.6854 | 0.9169 | 0.8216 | 1.8967 |
| Isopnetenyladenosine-5^-diphosphate | 0.9058 | 0.9039 | 1.0679 | 0.9123 | 1.0455 | 0.9985 | 0.9227 | 0.8383 | 0.8843 | 0.9548 | 0.9463 | 0.7995 | 0.8978 | 0.8311 | 0.9559 | 0.9729 | 1.3619 | 1.1432 | 1.1474 | 1.1923 | 1.0634 | NA |
| isopropyl beta;-D-galactopyranoside | 0.9146 | 0.9119 | 1.3473 | 1.2521 | 1.2684 | 1.2037 | 1.2352 | 0.9369 | 0.9089 | 1.2030 | 1.5397 | 1.2776 | 1.6544 | 1.0064 | 0.8279 | 0.8311 | 1.2103 | 0.9726 | 0.5947 | 1.0858 | 0.7987 | 0.8581 |
| Isovalerylalanine | 1.6093 | 2.0829 | 0.3187 | 0.3699 | 1.2493 | 0.4638 | 1.2500 | 2.3078 | 2.4798 | 0.4322 | 0.5265 | 0.5165 | 0.4414 | 1.6082 | 3.0834 | 2.1921 | 0.9454 | 0.7264 | 1.6814 | 0.4534 | 2.2387 | 1.3841 |
| Isovalerylglutamicacid | 1.1656 | 1.2165 | 1.0512 | 0.9954 | 1.3124 | 1.0232 | 1.0900 | 1.1657 | 1.0504 | 1.2681 | 0.8587 | 1.0790 | 1.0938 | 1.1366 | 1.2289 | 1.3710 | 1.0598 | 1.1648 | 1.0369 | 1.0397 | 1.2636 | 1.2309 |
| L-2,3-Dihydrodipicolinate | 0.9578 | 1.0084 | 1.1247 | 1.0261 | 1.3035 | 1.0775 | 0.9720 | 1.0561 | 1.0753 | 1.3581 | 1.1884 | 1.1292 | 0.9244 | 0.9258 | 0.8158 | 0.8524 | 0.7559 | 1.1170 | 0.7890 | 0.9007 | 0.7827 | 1.0403 |
| L-5-methylhydantoin | NA | 0.8556 | NA | NA | 0.7316 | NA | 0.8977 | NA | NA | 0.7293 | 0.9912 | NA | 0.8383 | 0.6326 | NA | NA | NA | NA | NA | NA | NA | 1.4788 |
| L-Arogenate | 1.0310 | 0.9111 | 0.8840 | 0.7673 | 0.9747 | 1.0192 | 0.8873 | 1.2637 | 1.0320 | 1.0237 | 0.9570 | 0.9368 | 1.3602 | 1.2340 | 1.1392 | 1.0293 | 0.8321 | 0.9149 | 0.8287 | 1.0674 | 0.9884 | 1.1382 |
| L-Cysteate | 1.1455 | 1.1501 | 0.8054 | 0.7473 | 0.9013 | 0.9938 | 0.9096 | 1.3208 | 1.3362 | 0.8595 | 0.8715 | 0.8120 | 1.0020 | 1.0670 | 1.1564 | 1.4417 | 1.2046 | 1.2766 | 1.0888 | 0.9089 | 0.9723 | 1.0660 |
| L-cysteine sulfinate | 0.9683 | 1.2276 | 0.8001 | 1.2773 | 1.3045 | 0.8067 | 1.0877 | 1.1740 | 1.1042 | 0.6254 | 0.4100 | 0.9854 | 0.9477 | 1.3895 | 1.4915 | 1.2159 | 1.7296 | 1.8027 | 1.4716 | 1.5022 | 1.7014 | 1.2431 |
| L-Dehydroascorbate | 1.2407 | 1.5912 | 0.8704 | 1.0225 | 0.9637 | 1.0293 | 1.2386 | 1.4527 | 1.8228 | 1.1430 | 1.3056 | 1.1459 | 0.9844 | 1.3632 | 0.5542 | 0.6366 | 0.6562 | 0.6005 | 0.6273 | 0.8530 | 0.6117 | 0.9513 |
| L-Erythrulose | 1.0787 | 1.0463 | 1.0836 | 1.0822 | 1.1407 | 1.1822 | 1.0401 | 1.1002 | 1.1134 | 1.0162 | 0.9812 | 1.0318 | 1.1323 | 1.1527 | 1.0324 | 1.1218 | 1.0955 | 1.1587 | 1.0461 | 1.0951 | 1.1523 | 1.0883 |
| Leu-Asp-Asp | 1.2845 | 1.4587 | 0.8815 | 0.9257 | 0.9233 | 0.8170 | 1.0031 | 0.9807 | 1.1680 | 0.8430 | 0.9343 | 0.8992 | 0.9713 | 0.9105 | 1.4103 | 1.6836 | 0.9113 | 1.0358 | 0.9436 | 0.8205 | 1.0397 | 1.0750 |
| leu-FMDP | 1.1001 | 1.1446 | 1.1824 | 1.2224 | 1.2590 | 1.0848 | 1.1202 | 1.1002 | 1.2176 | 1.2311 | 1.2052 | 1.0504 | 1.1111 | 1.1206 | 0.9780 | 1.1325 | 0.9575 | 0.9044 | 0.9093 | 0.9814 | 0.9792 | 1.1257 |
| Leu-Met-Gly | 0.6078 | 0.3796 | 0.8682 | 0.9207 | 0.9091 | 0.9980 | 0.6985 | 0.7618 | 0.4510 | 0.8442 | 0.7916 | 0.8146 | 0.9262 | 0.8243 | 1.3698 | 1.2319 | 1.6515 | 1.8392 | 1.6185 | 1.3745 | 1.7139 | 1.0969 |
| L-gamma-Glutamyl-L-hypoglycin | 0.8660 | 0.6446 | 0.9154 | 0.9323 | 0.8798 | 1.0032 | 0.8086 | 0.8409 | 0.6888 | 0.8850 | 0.8817 | 0.8027 | 0.9035 | 0.9083 | 1.4175 | 1.5776 | 1.2314 | 1.3515 | 1.2215 | 1.1449 | 1.5280 | 1.1208 |
| L-gamma-glutamyl-L-valine | 1.1997 | 1.2953 | 0.9423 | 0.9068 | 0.9281 | 1.0604 | 1.3437 | 0.9068 | 0.9907 | 0.8832 | 0.9163 | 1.1064 | 0.9494 | 0.9057 | 1.3272 | 1.2694 | 1.2387 | 1.1466 | 1.3284 | 1.2020 | 1.3048 | 1.1776 |
| L-Rhamnono-1,4-lactone | 1.0253 | 1.2524 | 1.0233 | 1.0918 | 0.9375 | 0.8847 | 1.1765 | 1.2494 | 1.2370 | 0.8328 | 1.0719 | 1.0228 | 1.0966 | 1.2113 | 1.1080 | 1.1252 | 1.2082 | 1.1142 | 1.1313 | 1.0200 | 1.1982 | 1.1161 |
| L-Rhamnose | 1.0108 | 1.1604 | 0.9277 | 1.1517 | 0.9262 | 1.0608 | 1.1484 | 1.0852 | 1.2857 | 0.9838 | 0.9441 | 1.0399 | 0.9511 | 1.2694 | 1.3075 | 1.2432 | 1.1893 | 0.9489 | 1.1841 | 1.1559 | 1.2560 | 1.1595 |
| L-Rhamnulose | 0.8456 | 0.9461 | 0.6228 | NA | 1.6272 | 0.3726 | 0.3800 | 0.7304 | 0.5888 | 0.5065 | NA | 1.4639 | 0.4555 | 0.3815 | 1.3235 | 1.2228 | 0.4025 | 0.6844 | 0.7486 | 0.5567 | 0.5105 | 0.7292 |
| L-xylo-Hexulonolactone | 1.0551 | 1.1166 | 0.9435 | 0.8788 | 1.0070 | 1.1219 | 1.0040 | 1.0272 | 0.9774 | 0.9770 | 0.8940 | 0.9716 | 1.0241 | 0.9829 | 1.1798 | 1.2232 | 1.0592 | 1.2691 | 1.0458 | 1.1124 | 1.4238 | 1.1287 |
| Lys-Ala-Pro | 2.7235 | 3.0650 | 0.4767 | 0.5823 | 0.5453 | 0.3812 | 1.6834 | 1.5775 | 2.2748 | 0.6170 | 0.5056 | 0.4168 | 0.4143 | 0.8283 | 2.5736 | 2.6890 | 0.4283 | 0.5368 | 0.7426 | 0.3708 | 1.4075 | 1.1639 |
| Lys-Arg | 0.0927 | 0.0835 | 1.3496 | 1.2314 | 0.5224 | 1.5652 | 0.1864 | 0.1584 | 0.1293 | 1.3569 | 1.2531 | 1.2237 | 1.6556 | 0.3208 | NA | NA | 0.3700 | 0.2000 | 0.0738 | 1.5822 | 0.0830 | 0.7082 |
| Lys-Gly | 0.5944 | 0.7155 | 1.0667 | 1.0223 | 0.8167 | 1.0993 | 0.7114 | 0.8039 | 0.7665 | 1.2398 | 1.1993 | 1.0739 | 1.2363 | 0.9314 | 0.6368 | 0.6219 | 0.9521 | 0.9079 | 0.7128 | 1.0806 | 0.7744 | 1.1955 |
| Lys-Lys-Gly | 0.5914 | 0.4805 | 1.1424 | 1.0830 | 0.9961 | 1.0599 | 0.8249 | 0.6968 | 0.7026 | 1.1227 | 1.0681 | 1.0306 | 1.0250 | 0.8195 | 0.8699 | 0.6673 | 1.1368 | 1.1362 | 0.9939 | 1.1701 | 1.0051 | 1.2729 |
| Lys-Lys-Thr | 0.5531 | 0.5238 | 1.0930 | 1.2111 | 1.1764 | 1.0919 | 0.7872 | 0.7534 | 0.6976 | 1.0143 | 1.1642 | 1.1975 | 1.0897 | 0.9051 | 0.8622 | 0.7309 | 1.0842 | 1.0762 | 0.9777 | 1.1642 | 0.9813 | 1.4870 |
| Lys-Lys-Tyr | 0.2761 | 0.2225 | 1.2847 | 1.3513 | 1.1944 | 1.2547 | 0.6767 | 0.5259 | 0.4139 | 1.3109 | 1.3563 | 1.2531 | 1.2416 | 0.8049 | 0.4652 | 0.3298 | 1.1589 | 1.1094 | 0.9152 | 1.2030 | 0.8152 | 1.0116 |
| Lysosomal-enzyme N-acetyl-D-glucosaminyl-phospho-D-mannose | 1.0153 | 1.2243 | 0.8942 | 0.8939 | 0.8821 | 0.8754 | 0.9104 | 0.8913 | 1.1315 | 1.0273 | 0.9565 | 1.0820 | 0.9984 | 0.8558 | 1.0970 | 0.9019 | 0.9965 | 1.0927 | 1.0830 | 0.9363 | 1.0096 | 1.0065 |
| Lys-Phe-Val | NA | NA | 1.1348 | 1.3810 | 1.1623 | 1.1568 | 0.6827 | 0.6122 | 0.4606 | 1.0747 | 1.2924 | 1.1180 | 1.1039 | 0.8472 | NA | NA | 1.1022 | 0.9939 | 0.8433 | 1.0432 | 0.6598 | 0.9059 |
| Lys-Pro-Pro | 1.2262 | 1.1908 | 0.8001 | 0.8418 | 0.8595 | 0.7290 | 0.9120 | 0.8500 | 0.8763 | 0.9121 | 0.9947 | 0.8918 | 0.9959 | 0.8662 | 1.2221 | 1.2302 | 0.8607 | 0.8472 | 0.9017 | 0.8664 | 0.9694 | 1.7596 |
| Lys-Pro-Pro-Pro | 0.2212 | 0.1694 | 1.3369 | 1.3252 | 1.1928 | 1.2418 | 0.6006 | 0.4700 | 0.3584 | 1.3020 | 1.3387 | 1.2528 | 1.2465 | 0.7663 | 0.4187 | 0.2699 | 1.2189 | 1.1115 | 0.9292 | 1.2884 | 0.7536 | 1.1676 |
| Lys-Thr-Thr | 0.8098 | 0.8180 | 1.0333 | 1.1200 | 1.1374 | 0.9335 | 0.9430 | 0.9445 | 0.9681 | 1.0053 | 1.1946 | 1.1945 | 1.1063 | 0.8812 | 1.0018 | 0.8586 | 0.9005 | 0.8947 | 0.9476 | 0.8788 | 0.9736 | 1.0186 |
| Lys-Val-Arg | 0.5504 | 0.5093 | 1.2142 | 1.2339 | 1.1710 | 1.0947 | 0.8403 | 0.7237 | 0.7006 | 1.1608 | 1.1341 | 1.2324 | 1.0921 | 0.8825 | 0.7094 | 0.5216 | 0.9958 | 1.0366 | 0.9065 | 1.0792 | 0.8873 | 1.2599 |
| Maleic acid | 0.3782 | 0.3343 | 0.6256 | 0.5497 | 0.4562 | 0.6102 | 0.4588 | 0.4577 | 20.5962 | 0.5544 | 0.6061 | 0.5406 | 0.4890 | 0.5343 | 0.2269 | 0.1933 | 0.3434 | 0.2709 | 0.2445 | 0.4411 | 0.2713 | 0.4408 |
| Maleimide | 1.0273 | 0.9389 | 0.9259 | 1.0354 | 0.8419 | 1.0268 | 0.9603 | 1.0023 | 1.0248 | 1.0259 | 1.2336 | 1.1205 | 1.2342 | 1.1591 | 1.0368 | 0.9427 | 0.9760 | 0.9616 | 0.9795 | 1.0387 | 0.9251 | 0.9402 |
| maltononaose | 0.9160 | 0.9147 | 1.0028 | 1.0095 | 0.7821 | 0.8735 | 0.9733 | 0.9133 | 1.0596 | 0.7843 | 1.0615 | 0.9101 | 1.0185 | 1.1281 | 0.8844 | 0.8583 | 0.8737 | 0.9843 | 0.8658 | 0.9989 | 0.9995 | 1.4120 |
| Medicagol | 0.6713 | 1.3504 | 0.8900 | 0.8320 | 0.7811 | 0.6981 | 0.6751 | 0.9229 | 1.5637 | 1.3113 | 1.1204 | 1.2602 | 1.1864 | 1.0821 | 0.5231 | 0.4595 | 0.8110 | 0.8093 | 0.6751 | 1.0815 | 0.6105 | 0.8563 |
| me-iP | 0.6472 | 0.5261 | 1.1655 | 1.2181 | 1.0964 | 1.2536 | 0.7946 | 1.1400 | 1.1208 | 0.9441 | 1.2934 | 1.3137 | 1.2638 | 1.1607 | 0.5851 | 0.4978 | 1.3304 | 1.2762 | 0.9766 | 1.3730 | 0.8578 | 1.0525 |
| melibionate | 0.9245 | 0.9851 | 0.9854 | 0.9115 | 0.9470 | 0.9919 | 0.9882 | 1.0168 | 0.8410 | 0.9754 | 0.9573 | 0.8958 | 1.0141 | 0.9075 | 1.1225 | 1.1445 | 0.9824 | 1.0775 | 1.0204 | 1.0055 | 1.1056 | 1.2224 |
| meso-Tartaric acid | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| Met-Cys-Ser | 1.3800 | 1.3850 | 1.0350 | 0.7119 | 0.8915 | 0.8797 | 1.2155 | 1.1671 | 1.5155 | 0.9477 | 0.8528 | 1.0062 | 0.9800 | 1.0861 | 1.4079 | 1.1343 | 1.0505 | 1.1648 | 1.1030 | 0.8581 | 1.2613 | 1.0835 |
| Met-Gly | 0.6885 | 0.5179 | 0.8695 | 0.8578 | 0.8929 | 0.9484 | 0.6839 | 0.7723 | 0.5534 | 0.7751 | 0.7957 | 0.7805 | 0.9182 | 0.7379 | 1.6456 | 1.7867 | 1.4750 | 1.4961 | 1.4824 | 1.3218 | 1.6211 | 1.1694 |
| Met-Gly_1 | 0.8237 | 0.8085 | 1.1350 | 0.9950 | 1.0747 | 1.1425 | 1.0321 | 0.9818 | 0.9847 | 0.9969 | 0.9642 | 0.9403 | 0.9815 | 0.9880 | 0.6938 | 0.5608 | 1.0215 | 1.0258 | 0.9421 | 1.0311 | 1.1160 | 1.0024 |
| Met-Gly-Tyr | 1.0518 | 1.0584 | 0.8764 | 0.9613 | 0.7468 | 0.9119 | 0.7109 | 0.9682 | 0.9927 | 0.9276 | 0.8707 | 1.0083 | 1.0057 | 1.0497 | 0.8649 | 0.7253 | 1.1243 | 1.1107 | 1.0815 | 1.2344 | 1.2118 | 0.9906 |
| methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate | 1.0276 | 0.8807 | 1.0576 | 0.8893 | 0.7529 | 0.9487 | 1.0305 | 1.0394 | 0.8200 | 1.0131 | 1.1245 | 0.8587 | 0.9444 | 0.9329 | 1.3332 | 0.6470 | 0.9713 | 1.1233 | 0.9832 | 1.1460 | 1.3426 | 1.0781 |
| Met-Met-Val-Tyr | 1.4041 | 1.4665 | 0.8055 | 0.6347 | 0.8085 | 0.7576 | 1.1636 | 1.0405 | 1.3464 | 0.7690 | 0.7259 | 0.7151 | 0.8276 | 0.9896 | 1.6690 | 1.9029 | 0.9948 | 1.1400 | 1.3871 | 0.7989 | 1.1941 | 1.0653 |
| Met-Phe-Val | 0.5583 | 0.3677 | 1.5173 | 1.4896 | 1.2374 | 1.1928 | 0.9862 | 0.4780 | 0.5809 | 1.1080 | 1.0536 | 1.2508 | 0.8665 | 0.6562 | 0.5535 | 0.4991 | 1.3212 | 1.2251 | 0.9863 | 1.3920 | 0.8537 | 0.8337 |
| Met-Ser-Ser | 0.6995 | 0.5861 | 0.9607 | 0.8842 | 0.9241 | 0.9640 | 0.7971 | 0.8261 | 0.6034 | 0.7766 | 0.8473 | 0.7506 | 0.8532 | 0.7308 | 1.3812 | 1.4872 | 1.6865 | 1.4320 | 1.5516 | 1.3007 | 1.5394 | 1.1214 |
| Met-Ser-Tyr | 0.9290 | 0.4179 | 0.8509 | 0.9980 | 1.1185 | 0.9278 | 0.7922 | 0.9292 | NA | 1.0069 | 0.7962 | 0.8698 | 0.8479 | 0.9640 | 1.1477 | 1.4841 | 1.3368 | 1.1845 | 1.1611 | 1.1951 | 1.2188 | 1.0574 |
| Met-Thr-Tyr-Tyr | 0.9059 | 0.9666 | 0.8536 | 0.7941 | 0.9120 | 0.8172 | 0.8797 | 1.2977 | 1.2526 | 1.0158 | 1.0479 | 1.0134 | 1.1161 | 1.1666 | 0.7525 | 0.6974 | 0.9945 | 1.0131 | 0.9533 | 0.7436 | 0.9146 | 1.0761 |
| Met-Val-Tyr | 0.5163 | 0.5010 | 0.8054 | 0.8098 | 0.7891 | 0.9131 | 0.6348 | 0.7160 | 0.7743 | 0.7933 | 0.7940 | 0.8063 | 0.8527 | 0.7885 | 1.1639 | 1.2199 | 1.8089 | 1.7081 | 1.4612 | 1.7988 | 1.3065 | 0.8666 |
| Miotine | 0.7641 | 0.8623 | 1.7825 | 1.1351 | 1.1985 | 1.0832 | 0.8809 | 0.8625 | 0.7822 | 0.8174 | 1.0029 | 0.8456 | 1.1497 | 0.7277 | 0.7855 | 0.8200 | 1.1202 | 0.9083 | 0.7535 | 1.1620 | 0.8251 | 1.0168 |
| Miserotoxin | NA | NA | 0.6669 | 0.2696 | NA | 1.4149 | NA | NA | NA | 0.5608 | 0.2660 | 0.1984 | 1.4812 | NA | NA | NA | 0.3564 | NA | NA | 1.7664 | NA | 0.4067 |
| Muramic acid | 1.2267 | 1.0980 | 0.7892 | 0.6934 | 0.9315 | 0.8611 | 0.9771 | 1.0168 | 1.0436 | 0.8873 | 0.8148 | 0.9015 | 0.7620 | 0.9840 | 1.5851 | 1.5063 | 1.1734 | 1.4597 | 1.3667 | 1.1183 | 1.4991 | 0.9870 |
| Myxochlin B | 0.4672 | 0.3994 | 1.4805 | 1.4160 | 1.4896 | 1.4466 | 0.7812 | 0.9021 | 0.6565 | 1.2714 | 1.3081 | 1.2839 | 1.2039 | 1.0300 | 0.3360 | 0.2685 | 1.0538 | 0.8343 | 0.6909 | 1.0446 | 0.5731 | 1.0239 |
| N1-(3,4-dihydroxybenzoyl)-N8,N^8-citryl-bis(spermidine) | NA | NA | NA | NA | NA | 1.1235 | NA | NA | NA | NA | NA | NA | 0.8215 | NA | NA | NA | NA | NA | NA | 0.7310 | NA | NA |
| N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate | 1.0917 | 1.0644 | 1.1463 | 1.1524 | 1.1676 | 1.1221 | 1.0917 | 1.0311 | 1.0281 | 1.1251 | 1.0826 | 1.0857 | 1.0584 | 1.0584 | 1.1251 | 1.0948 | 1.0250 | 1.0341 | 0.9886 | 1.0675 | 1.1524 | 1.1261 |
| N-(3-oxooctanoyl)-L-homoserine | 0.8857 | 0.8533 | 1.0994 | 0.9660 | 1.0910 | 1.0064 | 0.9283 | 1.0346 | 0.9202 | 0.9713 | 0.9815 | 0.9908 | 1.0099 | 0.9064 | 1.3185 | 1.3742 | 1.0307 | 1.0504 | 1.0064 | 0.9618 | 1.1540 | 1.0501 |
| N-(4-nitrophenyl)validamine | 1.0170 | 0.9735 | 1.1576 | 1.0395 | 1.0878 | 1.1649 | 0.9223 | 0.7378 | 0.8053 | 1.1801 | 1.2397 | 1.1854 | 1.1055 | 0.9308 | 1.0017 | 1.0345 | 0.8584 | 0.8826 | 0.8327 | 0.9448 | 1.0117 | 1.0115 |
| N5-formyl-N5-hydroxy-L-ornithine | 0.8381 | 0.8368 | 1.0030 | 0.9183 | 0.9069 | 1.1432 | 0.8560 | 0.8370 | 0.8677 | 1.0042 | 1.0402 | 1.0577 | 0.9393 | 0.8190 | 0.9030 | 0.8956 | 1.2038 | 1.1347 | 0.9199 | 0.9651 | 0.9540 | 0.9234 |
| N-Acetyl-aspartyl-glutamate | 0.9635 | 1.0471 | 0.9247 | 0.9999 | 1.0281 | 0.9397 | 1.0106 | 0.8871 | 0.9396 | 0.9228 | 1.0469 | 1.0444 | 0.9835 | 0.9545 | 0.9704 | 0.9565 | 0.9821 | 0.9656 | 1.0388 | 1.1323 | 1.0744 | 1.0354 |
| N-Acetyl-beta-alanine | 0.8425 | 0.7035 | 1.2485 | 1.2404 | 1.2583 | 1.3036 | 0.9812 | 1.0061 | 0.8130 | 1.1379 | 1.1435 | 1.2601 | 1.1692 | 1.1137 | 0.8131 | 0.6006 | 1.1913 | 1.0488 | 1.0942 | 1.3802 | 1.0265 | 1.1219 |
| N-Acetyl-D-glucosamine 6-phosphate | 0.9950 | 1.0449 | 1.0023 | 1.0059 | 1.1177 | 1.0207 | 1.0237 | 1.0080 | 1.0754 | 1.0706 | 1.0746 | 1.0339 | 1.1333 | 1.0377 | 1.2010 | 1.2252 | 1.2054 | 1.2042 | 1.1580 | 1.1119 | 1.2589 | 1.1135 |
| N-Acetyl-L-2-amino-6-oxopimelate | 1.1979 | 1.2994 | 1.3211 | 1.3659 | 1.4387 | 1.1621 | 1.1352 | 1.1522 | 1.2682 | 1.3898 | 1.3614 | 1.4121 | 1.2230 | 1.1046 | 0.7254 | 0.7058 | 0.7135 | 0.7004 | 0.6487 | 0.9192 | 0.6979 | 1.0434 |
| N-Acetyl-L-tyrosine | 0.8911 | 0.5850 | 0.8206 | 0.9126 | 0.9298 | 0.9365 | 0.9364 | 0.9099 | 0.5325 | 0.8215 | 0.7553 | 0.7372 | 0.9682 | 0.7496 | 1.8334 | 1.6414 | 1.3013 | 1.4122 | 1.3684 | 1.2089 | 1.4942 | 1.1962 |
| N-Acetylneuraminate | 1.1535 | 1.1032 | 1.0167 | 0.9936 | 1.1089 | 1.0542 | 1.0723 | 1.0371 | 1.0590 | 0.9862 | 1.0271 | 1.0014 | 0.9930 | 1.0083 | 0.9349 | 0.8941 | 0.9960 | 0.8970 | 0.8951 | 0.9419 | 0.9526 | 1.0263 |
| N-Carbamoyl-L-aspartate | 0.6960 | 0.2439 | 0.6724 | 0.6796 | 0.7603 | 0.7970 | 0.6045 | 0.7147 | 0.2557 | 0.4816 | 0.5370 | 0.4971 | 0.7602 | 0.6637 | 2.3351 | 2.2720 | 2.1575 | 2.1783 | 2.0984 | 1.3254 | 2.3092 | 1.1564 |
| N-carbamoyl-L-glutamate | 1.2235 | 1.2172 | 1.0000 | 0.9088 | 1.0417 | 1.0257 | 1.2041 | 1.0059 | 1.1830 | 0.9148 | 0.9432 | 0.9207 | 0.9590 | 1.2876 | 1.3155 | 1.0853 | 1.0626 | 1.2088 | 1.0863 | 1.0619 | 1.1393 | 1.0716 |
| N-Feruloylglycine | 1.0347 | 0.9394 | 1.0097 | 1.0028 | 1.0667 | 0.9966 | 0.9697 | 0.8466 | 1.1270 | 1.2744 | 1.0136 | 0.9468 | 1.0448 | 1.0239 | 1.0022 | 0.8922 | 0.9905 | 0.8845 | 0.9808 | 1.0237 | 0.8584 | 1.0113 |
| N-Formimino-L-aspartate | 1.1021 | 1.0495 | 1.1350 | 1.0380 | 1.0685 | 1.0682 | 1.0328 | 1.1239 | 1.0120 | 0.9516 | 0.8698 | 0.9362 | 1.0661 | 1.0487 | 1.3343 | 1.3536 | 1.1698 | 1.2501 | 1.2858 | 1.0874 | 1.4902 | 1.1322 |
| N-Formyl-L-aspartate | 0.8771 | 0.7730 | 0.9820 | 0.9760 | 1.0213 | 1.0113 | 0.8613 | 0.8658 | 0.8111 | 0.9324 | 0.9530 | 0.8875 | 0.9236 | 0.8791 | 1.5073 | 1.5509 | 1.3746 | 1.3792 | 1.3821 | 1.1798 | 1.4694 | 1.1466 |
| N-Formyl-L-glutamate | 1.2382 | 1.2637 | 1.1554 | 0.9723 | 1.0452 | 1.1039 | 1.1260 | 1.1551 | 1.1497 | 1.0145 | 1.0134 | 0.9903 | 1.0282 | 1.0972 | 1.2505 | 1.2403 | 1.0846 | 1.0556 | 1.0549 | 1.0940 | 1.1486 | 1.1044 |
| Ngamma-Nitro-L-arginine methyl ester | 1.0214 | 1.0565 | 0.7425 | 0.7996 | 0.9836 | 0.9486 | 1.0814 | 0.9764 | 1.0084 | 0.9759 | 0.9466 | 1.2109 | 1.0459 | 1.0930 | 1.0508 | 1.0392 | 0.9235 | 0.9790 | 1.0762 | 0.9450 | 0.9234 | 0.9478 |
| Nicotinate D-ribonucleoside | 1.0413 | 1.1047 | 0.9225 | 0.9630 | 0.8295 | 1.1712 | 1.0509 | 1.2981 | 1.0580 | 0.8761 | 0.9758 | 1.0941 | 1.2695 | 0.8469 | 0.7534 | 0.9268 | 0.9243 | 0.9020 | 0.8304 | 0.9580 | 1.0146 | 1.0447 |
| N-Methyl-2-oxoglutaramate | 1.0739 | 0.8893 | 1.1497 | 0.9595 | 1.0342 | 1.0092 | 0.9298 | 0.9063 | 0.9008 | 0.9247 | 0.9604 | 0.8241 | 0.9622 | 0.8596 | 1.2007 | 1.1349 | 1.2856 | 1.3196 | 1.1543 | 1.1348 | 1.2653 | 1.0766 |
| N-Methylhexanamide | 0.9290 | 0.9935 | 1.1219 | 1.1248 | 1.2760 | 1.0522 | 0.9182 | 0.9283 | 1.0230 | 1.2284 | 1.1405 | 1.1048 | 1.1324 | 0.8907 | 0.6440 | 0.7883 | 0.6804 | 0.7983 | 0.6331 | 0.9940 | 0.6686 | 1.0409 |
| N-(phosphonacetyl)-L-aspartate | 0.8581 | 0.9822 | 0.7856 | 0.7421 | 0.7092 | 0.9577 | 0.9580 | 1.2077 | 1.2282 | 0.7492 | 0.8592 | 0.8001 | 0.8921 | 1.1771 | 1.0795 | 1.1060 | 1.1628 | 1.1419 | 1.0698 | 1.0566 | 1.0843 | 0.9747 |
| N-Succinyl-L-glutamate | 0.9253 | 0.9701 | 1.0888 | 1.0303 | 1.1060 | 0.9453 | 0.9870 | 0.8453 | 0.9106 | 0.7700 | 1.1074 | 1.1494 | 1.0331 | 0.8750 | 1.0228 | 1.0097 | 1.0452 | 0.9603 | 0.9937 | 1.0486 | 1.1128 | 1.0230 |
| N-Succinyl-L-L-2-6-diaminopimelate | 1.1628 | 1.0866 | 1.0560 | 1.0248 | 1.2197 | 1.1582 | 1.1857 | 1.2583 | 1.1072 | 0.8711 | 0.9420 | 0.9675 | 0.9977 | 1.2117 | 0.7732 | 0.6908 | 0.7984 | 0.7756 | 0.8225 | 0.9949 | 0.8331 | 0.9886 |
| nva-FMDP | 0.9449 | 0.9340 | 0.9958 | 0.8135 | 1.1032 | 0.9621 | 1.0263 | 0.9894 | 0.9817 | 1.0521 | 1.0808 | 0.9972 | 1.0755 | 1.1025 | 0.9998 | 0.9600 | 1.0092 | 1.0716 | 1.0424 | 1.0451 | 1.0307 | 0.9903 |
| O-Acetylneuraminic acid | 0.9955 | 1.0807 | 0.9128 | 0.8331 | 1.0121 | 0.9546 | 1.0353 | 1.1346 | 1.0672 | 0.8492 | 0.9130 | 0.8169 | 1.0009 | 0.9738 | 1.1112 | 1.0581 | 1.0417 | 1.0100 | 1.0179 | 0.9886 | 1.0930 | 1.0307 |
| Octadecanoic acid | 0.6811 | 1.2062 | 1.1116 | 0.8822 | 0.5983 | 0.9720 | 0.6598 | 1.2653 | 1.1210 | 0.8538 | 1.7312 | 0.7190 | 1.4332 | 0.6717 | 0.8207 | 1.1920 | 0.9909 | 0.9720 | 1.1447 | 0.6977 | 0.7426 | 1.7588 |
| octyl beta-1,6-D-galactofuranosyl-alpha-D-glucopyranoside | 0.6699 | 0.5187 | 1.2161 | 1.2113 | 1.0415 | 1.3349 | 1.0010 | 0.8971 | 0.9250 | 1.1998 | 1.1687 | 1.2024 | 1.2112 | 0.9149 | 0.6126 | 0.5708 | 0.9654 | 1.0420 | 0.8800 | 1.2052 | 0.6961 | 0.9088 |
| O-Oxalylhomoserine | 0.7484 | 0.6892 | 0.7784 | 1.0752 | 0.9962 | 0.9283 | 0.8053 | 0.9014 | 0.8049 | 0.7810 | 1.1057 | 1.1410 | 1.0129 | 0.9964 | 1.0996 | 1.1289 | 1.2837 | 1.2284 | 1.1272 | 1.1391 | 1.1935 | 1.2282 |
| O-Phospho-L-homoserine | 1.2244 | 1.2359 | 0.7178 | 0.7352 | 0.7270 | 0.7300 | 1.2471 | 1.1194 | 1.2245 | 0.8089 | 0.8760 | 0.8669 | 0.8428 | 0.9342 | 1.2015 | 1.0446 | 1.0829 | 1.1167 | 1.1803 | 0.9082 | 1.3157 | 1.1671 |
| Ophthalmicacid | 1.0476 | 1.2583 | 0.8628 | 0.9003 | 1.1522 | 0.8178 | 0.9469 | 1.3169 | 1.1853 | 0.9713 | 0.8876 | 0.9779 | 0.9768 | 1.5942 | 0.9814 | 0.9586 | 0.9106 | 1.0060 | 0.9441 | 0.9178 | 0.9201 | 1.0995 |
| Orotate | 1.0515 | 1.1759 | 1.0270 | 1.0981 | 1.0337 | 1.1537 | 1.1137 | 1.1337 | 1.1870 | 1.0314 | 1.0581 | 1.1092 | 1.1559 | 1.0381 | 1.1759 | 1.2093 | 1.0292 | 1.1115 | 1.0670 | 1.0981 | 1.0959 | 1.1004 |
| Orthophosphate | 0.9955 | 1.0007 | 1.1332 | 1.1538 | 1.0781 | 1.1289 | 1.0618 | 0.9189 | 0.9413 | 1.1375 | 1.1573 | 1.1435 | 1.1108 | 0.9964 | 1.0196 | 0.9645 | 1.0480 | 1.0187 | 0.9852 | 1.1168 | 1.0575 | 1.0724 |
| Orthophosphate_1 | 1.0481 | 1.0979 | 1.0342 | 1.0620 | 1.0660 | 1.1019 | 1.0521 | 1.0959 | 1.0860 | 1.0242 | 1.0740 | 1.0680 | 1.0860 | 1.0979 | 1.1637 | 1.1537 | 1.1457 | 1.1657 | 1.0959 | 1.1198 | 1.1298 | 1.1019 |
| Oxalate | 0.4091 | 0.4285 | 0.4732 | 0.5295 | 0.5178 | 0.5142 | 0.5342 | 0.3957 | 0.3854 | 0.5309 | 0.4287 | 0.4724 | 0.4318 | 0.4321 | 0.6687 | 0.6255 | 0.6701 | 0.8357 | 0.5362 | 0.6133 | 0.6807 | 6.2355 |
| PE(36:2) | 1.4987 | 1.7720 | NA | 0.2074 | 0.2920 | NA | 0.4599 | 2.1937 | 2.6220 | NA | NA | 0.1811 | NA | 0.6352 | 1.9182 | 2.4002 | 0.2300 | 0.5447 | 1.2824 | 0.1846 | 0.6704 | 1.1091 |
| PG(32:0) | 0.7560 | 1.1590 | NA | NA | 0.1138 | NA | 0.2015 | 3.4457 | 4.6535 | NA | NA | 0.0669 | NA | 0.4248 | 1.2787 | 2.1949 | 0.0597 | 0.1826 | 0.6396 | 0.0371 | 0.2424 | 0.6924 |
| PG(32:1) | 0.7121 | 0.9207 | NA | 0.0509 | 0.1233 | NA | 0.2138 | 4.0752 | 4.8783 | NA | NA | 0.0937 | NA | 0.7081 | 1.3074 | 1.8881 | 0.0731 | 0.2349 | 0.6083 | 0.0937 | 0.3846 | 0.7197 |
| PG(33:1) | 0.8278 | 1.1616 | NA | NA | 0.0767 | NA | 0.1973 | 3.1964 | 3.8064 | NA | NA | 0.0379 | NA | 0.5026 | 1.5536 | 2.2342 | 0.0628 | 0.1945 | 0.6164 | 0.0298 | 0.3568 | 0.7263 |
| PG(34:2) | 0.9349 | 1.2192 | 0.0281 | 0.0458 | 0.1767 | 0.0284 | 0.3009 | 4.9248 | 5.6828 | 0.0259 | 0.0241 | 0.1002 | 0.0373 | 1.1167 | 1.5278 | 2.0552 | 0.1491 | 0.3372 | 0.8545 | 0.2238 | 0.4871 | 0.9152 |
| PG(35:1) | 1.4337 | 2.1403 | NA | 0.0168 | 0.0898 | 0.0111 | 0.2458 | 2.9113 | 3.8762 | 0.0101 | NA | 0.0167 | NA | 0.3503 | 1.8084 | 2.8218 | 0.0643 | 0.1959 | 0.7384 | 0.0182 | 0.3260 | 0.8146 |
| PG(35:2) | 0.8538 | 1.2185 | NA | NA | 0.0979 | NA | 0.2032 | 3.2590 | 3.8028 | NA | NA | 0.0370 | NA | 0.5981 | 1.2902 | 1.8340 | 0.0866 | 0.2143 | 0.6334 | NA | 0.3998 | 0.6633 |
| PG(36:2) | 1.7626 | 2.4566 | 0.3530 | 0.3202 | 0.4299 | 0.2991 | 0.6059 | 4.5134 | 5.9413 | 0.3380 | 0.3178 | 0.3831 | 0.3423 | 1.0258 | 2.1914 | 2.9853 | 0.4258 | 0.6410 | 1.1574 | 0.3849 | 0.7449 | 1.2767 |
| Phellamurin | 0.8922 | 0.8461 | 0.6512 | 0.7223 | 0.7227 | 0.6245 | 0.8015 | 1.3356 | 1.2596 | 1.1377 | 1.3734 | 1.2479 | 1.1352 | 1.2612 | NA | NA | NA | NA | NA | NA | NA | 0.7224 |
| Phenylacetic acid | 1.7381 | 1.1402 | 0.8897 | 0.5100 | 0.9077 | 0.7640 | 1.2393 | 1.2992 | 1.2983 | 1.1167 | 0.9132 | 1.0572 | 0.4558 | 1.1324 | 0.9707 | 0.8530 | 0.9824 | 0.6187 | 0.7709 | 1.3003 | 0.6699 | 1.1730 |
| Phenylhydrazine | 1.1076 | 1.1121 | 1.2308 | 1.1905 | 1.3184 | 1.1601 | 1.1096 | 1.0412 | 1.0510 | 1.2063 | 1.1741 | 1.1250 | 1.0769 | 0.9857 | 1.0636 | 0.9835 | 1.1037 | 1.0493 | 0.9469 | 0.9773 | 0.8638 | 1.1070 |
| Phenylpyruvate | 0.9508 | 1.3714 | 2.2933 | 1.5019 | 1.5825 | 0.3154 | 1.0547 | 1.3862 | 2.0035 | 2.8373 | 0.3897 | 1.2881 | 0.3127 | 1.6826 | 0.7203 | 1.2666 | 0.3335 | 1.1495 | 1.3582 | NA | 0.7003 | 1.1240 |
| Phe-Ser-Ser-Ser | 0.7174 | 0.7326 | 1.1701 | 1.1765 | 1.3323 | 1.0942 | 0.8338 | 0.8054 | 0.8326 | 1.2494 | 1.1149 | 1.1164 | 1.0947 | 0.8746 | 0.6856 | 0.7343 | 0.9789 | 0.8762 | 0.9630 | 0.9886 | 0.7812 | 1.0327 |
| Phe-Thr-Ser | 1.0443 | 1.0290 | 0.9616 | 1.1001 | 1.1172 | 1.1323 | 0.8872 | 1.1447 | 1.0301 | 1.0883 | 0.9907 | 0.7975 | 1.0538 | 0.8938 | 0.9699 | 1.2155 | 0.9767 | 0.9809 | 0.8442 | 0.9722 | 1.0090 | 1.0360 |
| Phosphoenolpyruvate | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| Phosphophosphinate | 0.7296 | 0.8917 | NA | NA | NA | NA | 0.4045 | 0.7846 | 0.8994 | NA | NA | NA | NA | NA | NA | 0.5386 | NA | NA | NA | NA | NA | 1.3626 |
| PI(32:4) | NA | NA | 1.3411 | 1.3239 | 0.8367 | 1.2775 | 0.1764 | NA | NA | 1.3663 | 1.4378 | 1.2183 | 1.2333 | 0.4523 | NA | NA | 1.0095 | 0.8250 | 0.3975 | 1.1384 | 0.2300 | 0.5834 |
| PIP(16:1(9Z)/18:0) | 0.5200 | 0.3913 | 1.2005 | 1.1310 | 1.1391 | 1.1427 | 0.9119 | 0.7219 | 0.6309 | 1.2037 | 1.1515 | 1.1698 | 1.1430 | 1.0015 | 0.6636 | 0.4653 | 1.2153 | 1.1303 | 0.9601 | 1.1733 | 0.9695 | 0.9230 |
| polyprenylpyrophosphate | 0.7047 | 0.6010 | 0.5492 | 0.5991 | 0.5665 | 0.7527 | 0.6106 | 1.5343 | 1.5823 | 1.6457 | 1.2155 | 1.1810 | 1.3864 | 1.1445 | NA | NA | NA | NA | NA | NA | NA | 0.5341 |
| Porphobilinogen | 1.1430 | 1.1104 | 1.1949 | 1.0838 | 1.3044 | 1.0821 | 0.9673 | 1.0761 | 1.0788 | 1.2187 | 1.1631 | 1.2270 | 1.0752 | 1.0469 | 1.1357 | 1.0578 | 1.0152 | 1.0795 | 1.0671 | 1.0494 | 1.0629 | 1.1139 |
| Portulacaxanthin III | 0.9130 | 1.0814 | 1.0697 | 0.9594 | 1.0606 | 1.0043 | 0.9282 | 0.9863 | 0.9142 | 1.1077 | 0.9531 | 1.0334 | 1.0250 | 0.9090 | 1.0034 | 1.0231 | 1.0110 | 1.0259 | 0.8637 | 1.0167 | 0.9772 | 1.0182 |
| Proacacipetalin | 1.1204 | 1.1379 | 0.9603 | 0.9933 | 1.0226 | 1.0689 | 1.0393 | 1.1515 | 1.2158 | 0.9374 | 1.0197 | 1.0218 | 1.0241 | 1.1482 | 0.9387 | 0.9093 | 0.8118 | 0.9111 | 0.8723 | 0.8619 | 1.0278 | 0.9914 |
| Propanoyl phosphate | 0.7212 | 0.6323 | 1.2569 | 1.6157 | 1.6546 | 0.7542 | 1.2914 | 1.0675 | 1.0103 | 1.4113 | 1.4471 | 1.8551 | 0.8755 | 1.4578 | 0.5012 | 0.4484 | 1.5301 | 1.1781 | 0.8414 | 0.9800 | 0.6699 | 1.1087 |
| PS(19:1(9Z)/0:0) | 0.8423 | 0.8873 | 0.8421 | 0.8879 | 0.9879 | 0.9433 | 1.1275 | 1.0758 | 1.0718 | 1.0302 | 1.0114 | 1.0584 | 1.0742 | 1.1954 | 0.8516 | 0.6631 | 1.0770 | 0.9699 | 1.1039 | 0.9498 | 0.9955 | 0.9947 |
| pseudaminic acid | 1.1791 | 1.2901 | 0.9158 | 0.8104 | 0.9213 | 1.0848 | 1.0595 | 1.2060 | 1.2138 | 0.8239 | 1.0121 | 0.9367 | 0.9917 | 1.1372 | 1.0776 | 1.0409 | 0.8411 | 0.8867 | 0.9297 | 0.9647 | 0.9833 | 0.9436 |
| Pseudopurpurin | NA | NA | 0.4822 | 0.5471 | NA | 0.5208 | NA | 0.2655 | NA | 0.5904 | 0.8479 | 0.8104 | 0.6148 | 0.3948 | NA | NA | NA | NA | NA | 0.5856 | NA | 0.3567 |
| Pseudouridine 5^-phosphate | 1.0676 | 1.1459 | 0.8239 | 0.8151 | 0.8603 | 0.7617 | 1.0230 | 0.9568 | 0.9929 | 0.8627 | 0.7533 | 0.8948 | 0.8164 | 0.8195 | 1.5725 | 1.6061 | 1.0876 | 1.3563 | 1.1750 | 0.9509 | 1.4321 | 1.0988 |
| Pyruvate | 5.8339 | 6.4528 | 1.3861 | 0.6826 | 0.8901 | 0.4714 | 3.5730 | 1.9362 | 2.7726 | 1.6248 | 0.4908 | 0.3409 | 0.5088 | 0.7365 | 0.4381 | 0.4548 | 0.0433 | 0.0685 | 0.1152 | 0.0463 | 0.2267 | 1.0367 |
| Pyruvate oxime | 0.9891 | 0.7536 | 1.0336 | 0.9446 | 1.0146 | 0.9992 | 0.8809 | 0.8324 | 0.9501 | 1.0383 | 1.0837 | 0.8911 | 1.0360 | 0.9327 | 1.1173 | 1.0598 | 1.1828 | 1.2214 | 1.1372 | 0.9456 | 1.1713 | 1.0557 |
| Quinate | 1.0625 | 1.0839 | 0.9975 | 1.0232 | 0.9873 | 1.1341 | 1.5192 | 1.1401 | 1.0072 | 0.9801 | 0.9230 | 0.8746 | 1.0767 | 0.9999 | 1.2916 | 1.3530 | 1.1734 | 1.0824 | 1.4005 | 1.1170 | 1.2299 | 1.1694 |
| (R)-2-Ethylmalate | 1.2414 | 1.1445 | 1.3213 | 1.2573 | 1.2617 | 1.3819 | 1.2149 | 1.0346 | 0.9783 | 1.0642 | 1.1170 | 1.1152 | 1.1053 | 1.0400 | 1.0015 | 1.0061 | 1.0272 | 0.9947 | 0.9174 | 1.1391 | 1.0096 | 0.9852 |
| (R)-2-Hydroxyglutarate | 2.5409 | 2.0172 | 0.4344 | 0.8813 | 1.1988 | 0.7570 | 2.1207 | 1.8233 | 1.7004 | 0.4077 | 0.7364 | 0.9330 | 0.7246 | 1.3812 | 0.8382 | 0.6181 | 1.3277 | 1.1504 | 0.9393 | 1.9849 | 0.8733 | 1.0998 |
| (R)-3-Hydroxy-3-methyl-2-oxopentanoate | 1.2416 | 1.0802 | 0.8956 | 0.8143 | 1.1224 | 1.0770 | 0.7857 | 1.0449 | 0.9180 | 0.8950 | 0.9348 | 0.7840 | 1.0232 | 0.8557 | 1.6578 | 1.5243 | 1.5029 | 1.4898 | 1.5889 | 1.3230 | 1.5611 | 1.1398 |
| Raffinose | 1.0617 | 0.9293 | 0.9519 | 0.8322 | 0.9310 | 0.8025 | 0.8901 | 1.0776 | 0.9579 | 0.9846 | 0.9283 | 0.9674 | 0.9654 | 0.9514 | 0.9609 | 0.9262 | 0.8888 | 0.9197 | 0.8577 | 0.7957 | 0.9136 | 1.7104 |
| Rishitin | 0.9884 | 0.9601 | 0.9859 | 0.9616 | 0.9395 | 0.9304 | 1.1851 | 1.0247 | 1.0908 | 0.9795 | 1.0261 | 1.1162 | 1.1190 | 1.1431 | 0.9295 | 0.9025 | 0.9732 | 0.9835 | 0.8987 | 0.8585 | 0.9704 | 1.0548 |
| (R,R)-Tartaric acid | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione | 0.9086 | 0.8269 | 0.9174 | 1.0170 | 1.0332 | 1.0617 | 0.8082 | 0.8986 | 1.1856 | 1.1209 | 1.1175 | 1.2287 | 1.0022 | 0.8413 | 0.8294 | 0.9873 | 0.9434 | 1.1524 | 0.7291 | 0.9405 | 0.9229 | 0.9183 |
| (S)-2-Acetolactate | 0.9610 | 0.6278 | 0.9976 | 0.9847 | 1.0914 | 1.0117 | 0.9283 | 1.0693 | 0.5625 | 0.7798 | 0.8109 | 0.8016 | 1.0099 | 0.7583 | 1.8465 | 1.8372 | 1.8535 | 1.6093 | 1.5662 | 1.5672 | 1.7515 | 1.2512 |
| (S)-3-Methyl-2-oxopentanoic acid | 1.8675 | 2.1706 | 1.1976 | 0.8197 | 0.9990 | 0.7346 | 1.6315 | 2.3711 | 2.5167 | 1.4780 | 0.8644 | 0.7146 | 0.8239 | 1.5044 | 2.0300 | 2.3919 | 0.2378 | 0.3388 | 0.4420 | 0.4963 | 0.9665 | 1.2611 |
| S-(3-oxo-3-carboxy-n-propyl)cysteine | 0.8907 | 0.6154 | 0.8758 | 0.8829 | 1.1233 | 1.1597 | 0.7407 | 0.9797 | 0.8763 | 0.9495 | 0.9415 | 0.9536 | 1.1531 | 0.9550 | 0.9931 | 1.2029 | 1.2420 | 1.1608 | 1.1076 | 0.9978 | 1.1344 | 1.1023 |
| (S)-ACPA | 0.7776 | 0.7608 | 0.9872 | 1.1445 | 1.2206 | 1.2264 | 0.8573 | 0.7960 | 0.6878 | 0.9322 | 1.1629 | 0.8587 | 0.8963 | 0.8450 | 1.3095 | 1.3360 | 1.4656 | 1.3181 | 1.2077 | 1.0609 | 1.3432 | 1.1122 |
| Sarmentosin | 0.9681 | 0.8877 | 1.2626 | 1.2445 | 1.3276 | 1.0488 | 0.9762 | 0.9717 | 0.9476 | 1.3160 | 1.3051 | 1.2418 | 1.1453 | 0.9372 | 1.1288 | 1.1346 | 1.1258 | 1.1873 | 1.0340 | 1.1084 | 1.1724 | 1.1348 |
| Sarracine | 0.5872 | 0.4155 | 1.1018 | 1.0041 | 1.2504 | 1.1177 | 1.0719 | 1.0432 | 0.9733 | 1.1343 | 1.2665 | 1.0779 | 1.1505 | 0.9681 | 0.6566 | 0.3084 | 0.9212 | 1.1530 | 0.8739 | 1.0197 | 1.0718 | 1.0669 |
| Scytalone | 1.1927 | 1.0254 | 1.1744 | 0.9799 | 0.9903 | 0.9929 | 1.0646 | 1.1092 | 1.1704 | 1.0125 | 1.1611 | 1.1490 | 1.0712 | 0.8847 | 0.9494 | 1.2173 | 0.9988 | 0.8881 | 1.0749 | 0.9274 | 1.0345 | 1.0197 |
| (S)-Dihydroorotate | 0.9406 | 1.4433 | 0.6944 | 0.7471 | 0.3440 | 1.8182 | 0.5997 | 0.3571 | 0.4935 | 0.5721 | 0.5691 | 0.6100 | 1.6208 | 0.2725 | 0.4951 | 1.3847 | 1.4097 | 0.7067 | 0.5451 | 2.1376 | 0.4404 | 1.0901 |
| Sedoheptulose | 1.2130 | 1.1103 | 1.0260 | 1.0437 | 1.0255 | 1.0552 | 1.1378 | 1.0967 | 1.2205 | 0.9640 | 1.0790 | 1.0339 | 0.9717 | 1.0127 | 1.2602 | 1.2713 | 1.1702 | 1.1247 | 1.2183 | 1.0116 | 1.1661 | 1.0382 |
| serotonin O-sulfate | 0.9473 | 0.9228 | 1.0433 | 1.0899 | 1.2646 | 0.9218 | 0.8971 | 0.8017 | 0.9523 | 1.0550 | 1.1013 | 1.1232 | 1.1283 | 1.0159 | 0.9418 | 0.9916 | 1.0385 | 0.9244 | 1.0416 | 1.0181 | 1.0555 | 1.0192 |
| serotonin O-sulfate_1 | 0.9621 | 1.1353 | 1.1393 | 1.0439 | 1.0688 | 0.9536 | 1.0190 | 0.9297 | 0.9124 | 1.2755 | 1.1862 | 1.1644 | 1.1280 | 1.0391 | 0.9978 | 1.0655 | 1.0668 | 1.0592 | 0.8980 | 1.0027 | 1.0942 | 0.9950 |
| Ser-Ser-Tyr | 1.3710 | 1.2985 | 1.0336 | 1.0424 | 1.0673 | 0.9697 | 1.0114 | 1.1209 | 1.1705 | 1.0163 | 1.0063 | 0.9805 | 0.8870 | 0.9400 | 1.3654 | 1.3782 | 0.9818 | 1.0381 | 0.9879 | 0.8722 | 1.0024 | 1.0957 |
| Shikimate | 0.6326 | 0.7340 | 1.0634 | 1.0694 | 0.6558 | 1.2600 | 0.6086 | 0.6489 | 0.7001 | 1.3171 | 1.4159 | 1.3708 | 1.5220 | 0.6493 | 1.6410 | 1.6414 | 0.4787 | 0.3274 | 0.5389 | 0.9655 | 0.9300 | 0.7475 |
| sinefungin | 1.0169 | 0.9682 | 0.9466 | 1.0381 | 0.9012 | 0.9554 | 0.9022 | 0.9893 | 0.8696 | 0.9470 | 0.9317 | 0.9476 | 0.9924 | 0.9668 | 1.2031 | 1.2933 | 1.1512 | 1.0902 | 1.0961 | 0.9510 | 1.0415 | 1.0221 |
| (S)-Lactate | 1.0337 | 0.8271 | 1.1356 | 0.9293 | 1.1101 | 0.8988 | 1.2468 | 0.8419 | 0.5591 | 0.8505 | 1.6690 | 0.9054 | 0.8346 | 0.7670 | 0.7714 | 0.6274 | 0.8327 | 0.9993 | 0.9480 | 1.0482 | 0.8015 | 0.5962 |
| sn-glycero-3-Phospho-1-inositol | 0.1166 | 0.1227 | 1.1417 | 1.5129 | 0.8466 | 1.4967 | 0.3176 | 0.1135 | 0.0905 | 1.2303 | 1.5884 | 1.4750 | 1.5104 | 0.4957 | 0.0983 | 0.0966 | 1.1870 | 0.6497 | 0.2980 | 1.6721 | 0.1272 | 0.8661 |
| sodium dodecyl sulfate | 1.4114 | 0.7796 | 0.8209 | 0.6932 | 0.5404 | 0.7749 | 1.8391 | 1.2780 | 1.2969 | 0.5806 | 1.6893 | 2.3171 | 0.8356 | 0.7822 | 0.8034 | 0.8853 | 0.9985 | 0.6954 | 0.6931 | 0.7713 | 1.9795 | 1.4557 |
| Stachyose | 1.0147 | 0.8255 | 0.7630 | 0.8313 | 0.7716 | 0.7938 | 0.7903 | 0.8505 | 0.8954 | 0.8364 | 0.7765 | 0.7744 | 0.9961 | 0.8862 | 0.8368 | 0.7991 | 0.7950 | 0.6971 | 0.7546 | 0.8947 | 0.7289 | 2.6015 |
| [ST dimethyl(4:0/3:0)] (5Z,7E,17Z)-(1S,3R)-26,27-dimethyl-9,10-seco-5,7,10(19),17(20)-cholestatetraen-22-yne-1,3,25-triol | 1.1290 | 1.1189 | 0.9389 | 0.9937 | 0.9569 | 0.7817 | 0.9867 | 1.5962 | 1.5618 | 0.9002 | 0.9464 | 0.8907 | 0.7614 | 1.0298 | 1.1306 | 1.3282 | 0.9053 | 0.9642 | 1.0380 | 0.7435 | 0.9932 | 1.0842 |
| [ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic Acid | 1.0106 | 1.0903 | 1.0985 | 1.1565 | 1.0699 | 0.9077 | 1.0063 | 1.1481 | 1.0232 | 1.1356 | 1.0335 | 0.8659 | 1.0352 | 1.0280 | 0.7955 | 0.8778 | 1.4874 | 1.3864 | 1.0290 | 0.8605 | 0.9098 | 1.1040 |
| Subaphyllin | 0.4669 | 0.3717 | 0.9813 | 1.0512 | 0.8451 | 1.1404 | 0.6658 | 0.5766 | 0.5390 | 0.8262 | 0.8495 | 0.8727 | 0.8766 | 0.7483 | 0.6721 | 0.4157 | 1.8037 | 1.6097 | 1.2994 | 2.0558 | 1.1792 | 1.0489 |
| succinamate | 1.0220 | 1.1066 | 1.0878 | 1.1614 | 1.0360 | 1.0617 | 1.0535 | 1.0903 | 1.0021 | 1.0223 | 0.9337 | 0.9293 | 1.0249 | 1.0747 | 1.3503 | 1.2524 | 1.0879 | 1.2118 | 1.1604 | 1.0522 | 1.1407 | 1.1383 |
| Succinate | 3.0436 | 3.2056 | 1.0140 | 0.3931 | 0.9739 | 0.5343 | 2.2446 | 1.4135 | 1.6269 | 1.0397 | 0.3227 | 0.2344 | 0.5311 | 0.5808 | 3.1286 | 3.2730 | 0.3432 | 0.6097 | 0.9851 | 0.1832 | 1.7472 | 1.3985 |
| Succinate semialdehyde | 1.1255 | 1.8417 | 0.6848 | 0.5977 | 0.4006 | 0.5193 | 0.9512 | 1.0630 | 2.0510 | 1.5867 | 1.8224 | 1.3419 | 0.8736 | 0.8269 | 0.2457 | 0.2877 | 0.2683 | 0.2546 | 0.1715 | 0.3728 | 0.3432 | 0.6661 |
| Sulfoacetate | 0.4871 | 0.3743 | 0.5147 | 0.4329 | 0.4685 | 0.5652 | 0.3589 | 0.4791 | 0.3191 | 0.5006 | 0.4126 | 0.3601 | 0.5952 | 0.4438 | 0.6112 | 0.4615 | 0.5538 | 0.5650 | 0.6331 | 0.5767 | 0.5676 | 6.5827 |
| Swainsonine | 0.9269 | 0.9707 | 0.9909 | 1.0608 | 1.1799 | 1.0263 | 1.0354 | 0.9783 | 0.9986 | 1.0015 | 0.9136 | 1.0611 | 0.9154 | 1.0084 | 1.4036 | 1.4066 | 1.3914 | 1.2593 | 1.3121 | 1.0284 | 1.1967 | 1.0896 |
| Taurine | 0.9604 | 0.9522 | 1.0721 | 1.1511 | 1.0172 | 1.0552 | 0.9226 | 0.8420 | 1.0249 | 1.0358 | 0.9361 | 0.9770 | 1.0065 | 0.9725 | 1.2292 | 1.1114 | 1.0945 | 1.0619 | 0.9529 | 0.9524 | 1.0766 | 0.9897 |
| Tetracosanoic acid | 0.8912 | 0.9295 | 1.2924 | 0.6172 | 0.5480 | 0.8965 | 0.7184 | 1.3306 | 0.9544 | 0.5961 | 1.7043 | 1.5763 | 0.8628 | 0.6452 | 1.0387 | 0.9723 | 0.7187 | 0.7376 | 0.8837 | 1.4878 | 0.9428 | 1.6703 |
| Tetradecanoic acid | 1.0352 | 1.6960 | 1.0492 | 0.6382 | 0.6677 | 0.8042 | 0.8276 | 2.3618 | 0.9225 | 1.0063 | 1.6972 | 0.7263 | 0.7998 | 0.8117 | 1.4227 | 1.4617 | 0.8596 | 0.6139 | 1.6914 | 0.6374 | 0.7065 | 1.3024 |
| Thr-Glu-Glu-Glu | 0.5932 | 0.4350 | 1.1773 | 1.1498 | 1.2158 | 1.0627 | 0.8167 | 0.7615 | 0.6372 | 1.0832 | 1.0952 | 1.0662 | 0.9055 | 0.7277 | 0.6879 | 0.6656 | 0.9431 | 1.0004 | 0.8975 | 1.0295 | 0.9021 | 1.9734 |
| Thr-Pro-His | 1.0566 | 1.1309 | 0.8082 | 0.8626 | 0.8771 | 0.9386 | 1.0383 | 0.9894 | 1.1344 | 0.9256 | 0.9196 | 0.9454 | 0.9586 | 1.0186 | 1.0708 | 1.0077 | 0.9833 | 1.0859 | 0.9127 | 1.0244 | 1.0140 | 1.0417 |
| Thr-Pro-His_1 | 1.0751 | 1.1709 | 0.8191 | 0.8225 | 0.8540 | 0.9189 | 0.9555 | 1.0034 | 1.0614 | 0.8581 | 0.8821 | 0.9807 | 1.1529 | 0.9342 | 1.0731 | 1.0457 | 1.1212 | 1.0273 | 0.9005 | 0.8267 | 0.9982 | 1.0433 |
| Thr-Tyr | 0.6561 | 0.5003 | 0.8299 | 1.2262 | 0.7932 | 1.2653 | 0.9210 | 0.7322 | 0.6449 | 0.5571 | 1.0745 | 1.3017 | 1.0328 | 0.8935 | 0.8896 | 0.6446 | 1.1240 | 1.0237 | 0.9108 | 1.2957 | 1.0091 | 0.9045 |
| trans-Aconitate | 0.9923 | 1.0522 | 0.8862 | 0.9108 | 0.9405 | 0.9388 | 1.0745 | 0.8450 | 0.9534 | 0.9220 | 0.8515 | 0.8519 | 0.9302 | 0.8703 | 1.1660 | 1.0649 | 1.0678 | 1.0759 | 1.0533 | 1.0910 | 1.1271 | 2.1912 |
| Tremulacin | 0.7701 | 0.7694 | 0.9912 | 0.9755 | 0.9080 | 0.8642 | 0.8041 | 0.9494 | 0.9520 | 1.1862 | 1.3978 | 1.1466 | 1.1528 | 1.0437 | NA | NA | NA | NA | NA | NA | NA | 0.7253 |
| Tremulacin_1 | 0.8127 | 0.8383 | 0.8682 | 0.9084 | 0.7614 | 0.8451 | 0.8004 | 1.1785 | 1.3586 | 1.2930 | 1.3758 | 1.3459 | 1.1619 | 1.0654 | NA | NA | NA | NA | NA | NA | NA | 0.6227 |
| Tri-N-acetylchitotriose | NA | 0.0412 | NA | 0.1571 | 0.3182 | 0.0908 | 0.1297 | 0.0767 | 0.0786 | NA | NA | NA | 0.0999 | 0.0595 | 0.3329 | 0.1538 | 2.2404 | 3.6336 | 3.3874 | 1.0314 | 2.2995 | 1.0125 |
| Trp-Ala | 0.6561 | 0.4617 | 1.1282 | 0.9647 | 0.8867 | 0.9323 | 0.6564 | 1.0470 | 1.0668 | 1.0822 | 1.3837 | 1.1816 | 1.2183 | 1.0232 | NA | NA | 0.7994 | 0.7893 | 0.6427 | 1.0113 | 0.4961 | 0.8375 |
| Trp-Cys-Arg | 0.8634 | 0.9134 | 1.3516 | 1.2751 | 1.4750 | 1.1148 | 0.9057 | 0.8395 | 0.7858 | 1.2935 | 1.3931 | 1.3318 | 1.0879 | 0.8762 | 0.8236 | 0.7951 | 0.7886 | 0.7633 | 0.7291 | 0.7862 | 0.9113 | 1.0326 |
| Trp-Ser | 1.1617 | 1.2009 | 0.9898 | 0.9296 | 0.9246 | 0.9206 | 1.0439 | 1.0362 | 1.0783 | 0.8904 | 0.8713 | 0.8532 | 0.9862 | 1.0588 | 1.0844 | 0.9927 | 0.9778 | 1.0797 | 0.8815 | 1.0198 | 1.0306 | 1.0086 |
| UDP | 1.3251 | 1.0824 | NA | NA | 0.8386 | NA | 1.5236 | 0.6157 | 0.7546 | NA | NA | NA | NA | 0.7758 | 0.7052 | NA | NA | NA | NA | NA | 0.7688 | 1.0902 |
| UMP | 0.9973 | 0.9405 | 0.6696 | 0.6108 | 1.7392 | 0.5824 | 1.9574 | 2.1553 | 2.4525 | 0.6901 | 0.5605 | 0.5233 | 0.5791 | 2.6376 | 1.2497 | 1.2575 | 0.9314 | 1.2984 | 1.3605 | 0.4001 | 1.2759 | 1.1813 |
| Urate | 1.4550 | 1.5964 | 0.7483 | 0.9587 | 1.0454 | 0.5070 | 1.1130 | 0.5196 | 0.7503 | 0.8187 | 0.0757 | 0.0974 | 0.4787 | 0.4155 | 2.5860 | 2.8456 | 0.7831 | 1.3763 | 2.0569 | 0.1557 | 2.2765 | 1.1844 |
| Val-Pro | 1.0685 | 1.0440 | 1.0850 | 1.0805 | 1.1028 | 1.1951 | 1.0582 | 1.1906 | 1.1098 | 1.0493 | 1.1183 | 1.1008 | 1.0833 | 1.0920 | 1.0268 | 0.9842 | 1.1257 | 1.0776 | 0.9859 | 1.1564 | 1.1380 | 1.1106 |
| Veratridine | 0.6999 | 0.7957 | 1.1841 | 1.0043 | 1.0591 | 0.9814 | 1.0578 | 0.8704 | 0.9609 | 0.8390 | 0.9929 | 0.9639 | 0.9136 | 1.0217 | 1.0973 | 0.9725 | 1.0630 | 1.1907 | 1.0600 | 1.0324 | 1.0279 | 1.0476 |
| Vicianose | 0.9425 | 0.8017 | 0.8269 | 0.8937 | 0.9982 | 0.9865 | 0.9443 | 0.8038 | 0.9556 | 1.0154 | 0.9588 | 0.8979 | 1.1213 | 1.0004 | 1.0252 | 1.0941 | 1.0650 | 1.1944 | 1.0279 | 1.1218 | 1.3103 | 0.9589 |
| Withasomnine | 1.2028 | 1.2961 | 0.9431 | 0.9548 | 0.9574 | 0.8679 | 1.0246 | 0.9993 | 1.3010 | 1.1046 | 1.0267 | 1.0997 | 0.8593 | 0.9916 | 0.9144 | 0.9006 | 0.9406 | 0.9770 | 0.8513 | 1.0310 | 0.9222 | 0.7629 |
| Xylobiose | 0.9735 | 0.9795 | 0.9366 | 0.9800 | 0.9101 | 0.9216 | 1.1441 | 0.8500 | 1.0139 | 1.0223 | 0.9630 | 0.9885 | 1.0127 | 1.0969 | 0.9235 | 1.0554 | 0.9785 | 0.9682 | 0.9257 | 0.9501 | 1.0226 | 1.2237 |
| Xylobiose_1 | 1.0137 | 0.9569 | 0.8685 | 0.8860 | 1.0122 | 0.9860 | 1.0002 | 1.0720 | 1.0675 | 0.8622 | 0.8723 | 0.8803 | 0.8744 | 0.9205 | 1.1365 | 1.1173 | 1.1252 | 1.2335 | 1.0490 | 1.0714 | 1.2457 | 1.0643 |
| (Z)-But-2-ene-1,2,3-tricarboxylate | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.0000 |
| Zearalenone | 1.0759 | 1.3782 | 1.3374 | 0.6158 | 1.1330 | 1.6620 | 1.0071 | 1.5688 | 2.7575 | 0.7927 | 0.8385 | 0.6167 | 1.2138 | 1.5757 | 1.6919 | 1.3283 | 1.1461 | 1.0444 | 0.8189 | 1.1597 | 1.1422 | 1.3125 |
Factors:
| F1 | treatment:M_Cefto_3g_143h |
| F2 | treatment:M_Cefto_3g_167h |
| F3 | treatment:M_Cefto_3g_23h |
| F4 | treatment:M_Cefto_3g_47h |
| F5 | treatment:M_Cefto_3g_71h |
| F6 | treatment:M_Cefto_3g_7h |
| F7 | treatment:M_Cefto_3g_95h |
| F8 | treatment:M_Cefto_6g_143h |
| F9 | treatment:M_Cefto_6g_167h |
| F10 | treatment:M_Cefto_6g_23h |
| F11 | treatment:M_Cefto_6g_47h |
| F12 | treatment:M_Cefto_6g_71h |
| F13 | treatment:M_Cefto_6g_7h |
| F14 | treatment:M_Cefto_6g_95h |
| F15 | treatment:M_Control_143h |
| F16 | treatment:M_Control_167h |
| F17 | treatment:M_Control_23h |
| F18 | treatment:M_Control_47h |
| F19 | treatment:M_Control_71h |
| F20 | treatment:M_Control_7h |
| F21 | treatment:M_Control_95h |
| F22 | treatment:Pooled QC |