Data for (Study ST001637)

(Analysis AN002675)

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

MetaboliteF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33F34F35F36F37F38F39F40F41F42F43F44F45F46F47F48F49F50F51F52F53F54F55F56F57F58F59F60F61
10-Hydroxy-2-decenoic acid 0.9137 0.6741 1.0269 0.6807 1.1014 0.8071 0.8760 0.7593 1.3856 0.9203 0.9626 0.7488 1.3726 0.8301 1.1898 1.0014 1.0881 0.9160 1.2063 0.9015 1.4716 0.7120 0.8930 0.6566 1.1134 1.0385 1.3182 0.7260 1.1187 1.1428 0.9944 0.7984 1.0080 0.8471 1.1626 1.0866 1.0812 0.7946 1.1272 0.9077 1.2582 0.7034 1.1285 1.2261 0.8652 1.3023 0.7389 1.0898 1.0859 1.4061 0.8481 1.0481 0.7570 1.2387 0.6557 0.9577 0.7432 1.2608 0.7699 1.2593 0.7659
13-Keto-9Z,11E-octadecadienoic acid 0.9907 0.9700 1.0485 0.7729 0.8867 0.6479 0.9083 1.0584 0.9202 0.9878 0.9869 0.9493 1.4670 0.6546 1.0563 0.9988 0.9066 0.8345 1.1724 1.1488 0.8629 1.1764 0.8889 0.7235 0.8777 1.2034 1.2581 0.7326 0.8709 0.8030 1.5812 0.7273 1.0138 0.5070 1.0192 0.7706 1.2782 0.7884 1.0203 0.7085 1.0954 1.0901 1.2662 1.3169 0.7788 1.2423 0.9724 1.5460 1.0836 0.9326 1.0874 0.9970 0.7710 0.9402 0.6687 0.8903 1.0612 1.0601 0.8533 1.3067 0.7634
1,5-Hexadien-3-ol 0.9567 0.8252 0.9575 0.7646 0.9001 0.8594 0.7386 0.9560 1.2936 0.9138 1.1585 0.7601 1.2975 1.0027 1.0713 0.9733 1.0776 1.1572 0.8535 1.0447 1.1331 0.8315 0.7458 0.7893 1.0263 1.2598 1.1337 0.9108 0.8550 0.9670 1.1190 0.8118 0.9070 0.8924 1.0130 0.9885 1.0338 0.7599 1.0172 0.9224 1.0922 0.8099 1.4696 0.9609 0.9090 0.8635 0.8839 0.9260 1.1425 1.4428 0.8530 1.0781 0.7743 1.0356 0.7536 0.8015 0.9470 1.0487 0.8664 0.8955 0.8300
1,5-Pentanediamine 0.9865 0.8219 1.1204 0.8062 0.9985 0.7648 0.9183 0.7208 1.0813 0.7935 1.0439 0.7642 1.1181 0.8635 1.1650 0.8080 1.1385 0.8887 0.9547 0.8065 1.3560 0.7005 1.0609 0.8353 1.1911 0.9047 1.3903 1.0395 1.1641 0.9061 1.0006 0.8376 1.4717 0.7589 0.9950 0.8416 0.9015 0.7366 1.6442 0.9380 1.2749 0.8276 1.0405 1.0831 0.9943 1.2610 0.9862 1.3051 1.0166 1.0120 0.7459 1.2002 0.8511 1.0955 0.6739 1.0253 0.8871 1.5589 0.8846 0.9920 0.8798
1-Cycloheptyl-4-piperidinamine 0.8419 0.9710 1.3226 0.1764 1.0629 1.1870 0.8395 1.0433 1.3569 1.3799 1.1179 1.0079 0.7605 0.7622 1.2542 1.3185 0.9660 1.0995 0.8002 0.9207 1.2677 1.2300 0.9791 1.0247 0.9815 0.9738 1.3499 0.2144 1.1811 1.1077 0.9185 0.8883 1.3189 0.3008 1.1671 1.1661 0.9553 0.8951 1.3841 0.3278 1.1432 1.0480 1.0614 0.8400 0.7969 1.3243 1.3006 0.9432 0.9475 0.9704 0.9954 1.2746 0.2329 1.0950 1.2469 0.8279 0.9026 1.4231 0.1986 1.2169 1.1360
1-Methylnicotinamide 0.9117 1.2053 1.3378 2.4476 1.1415 1.1466 0.1792 0.3589 0.2729 0.4229 0.3095 0.2719 1.0396 1.3801 1.3109 1.8997 1.5959 1.6062 1.2826 1.6431 1.7837 2.1963 2.1892 1.1646 0.8046 0.8710 1.0108 1.4700 1.3677 1.2693 0.2583 0.2638 0.3686 0.5595 0.3483 0.3448 0.2372 0.2777 0.3929 0.5547 0.3610 0.3396 1.0580 1.6152 2.0054 2.1367 3.1611 2.5398 2.2429 0.2550 0.3112 0.3231 0.5488 0.3540 0.3317 0.4047 0.5340 0.6660 0.9620 0.5704 0.5435
2,5-Hexanedione 1.4992 0.9008 1.0768 0.9106 0.6329 0.6641 0.8854 1.2961 0.9050 0.6030 1.0376 0.9912 1.0476 0.9599 0.9861 1.1281 0.4554 1.4620 0.9565 0.9979 0.9073 0.8426 0.9885 0.9140 0.9507 1.2178 0.8752 0.8281 1.4280 0.7048 0.5372 0.7461 0.9957 1.0198 0.5958 1.0127 0.6991 0.8623 0.9763 0.6162 0.7797 1.6318 1.3344 0.9045 0.9352 1.1048 1.2567 1.4052 0.8016 1.0594 1.2043 0.8927 1.3698 0.7745 1.3181 1.0868 0.7309 0.6517 1.2315 1.1260 0.9065
2,6-Diaminopimelic acid 1.2849 0.5445 1.8163 1.6952 0.7183 0.7022 0.3317 0.1522 0.4701 0.5220 0.2428 0.1888 1.5127 0.9889 2.0863 1.7047 0.9738 0.8885 1.2600 0.7217 1.5270 1.4425 0.6289 0.5029 0.9877 0.6025 1.1336 1.3236 0.5291 0.4858 2.5727 1.2159 0.9930 0.6479 1.4244 0.6589 0.8142 0.5169 1.2532 1.4077 1.1373 0.8706 1.0914 1.0370 0.6897 1.3869 1.2801 0.8475 0.6699 1.8315 0.8694 1.1468 0.7742 1.3062 0.7566 0.9972 0.7379 1.1991 1.2075 0.7337 0.5785
2-Acetylpyrazine 0.8602 0.8779 0.8588 0.9579 0.8056 0.9553 1.0535 1.0525 1.0359 1.1542 0.9189 1.0753 0.9651 1.1150 0.9090 0.9744 0.9200 0.9483 0.9276 1.0566 0.9519 1.0554 0.9342 1.0004 0.9399 0.9074 1.4267 1.0907 0.8635 1.0430 0.9591 1.0446 1.0136 1.0472 0.8623 1.0993 0.8846 0.9749 0.9208 1.1428 0.8674 1.0085 1.0254 0.9077 1.0040 0.8082 1.0663 1.2827 0.9959 0.9800 1.0446 1.0484 1.0994 0.8899 1.0604 0.9032 1.3059 0.9804 1.1193 0.8853 1.0274
2-Amino-1-phenylethanol 1.2029 0.7822 1.1559 0.8336 1.1279 0.7987 0.9620 0.6566 1.0442 0.7396 1.0504 0.7212 1.0900 0.7288 1.1501 0.8099 1.0939 0.8495 0.9659 0.6747 1.2671 0.6997 1.0542 0.7570 1.2398 0.8193 1.4728 1.0494 1.2548 0.8499 1.2194 0.8182 1.8605 0.7434 1.1331 0.8913 0.9028 0.6270 1.7604 0.9160 1.4620 0.7744 0.9675 0.9651 0.6821 1.1034 0.8286 1.0910 0.7573 1.2433 0.6773 1.4541 0.8037 1.2794 0.6245 1.1780 0.7571 1.8224 0.8439 1.1732 0.8716
2-Aminoadipic acid 1.0119 0.8290 1.6472 0.6604 1.1291 0.6520 0.7443 0.6953 1.0738 0.7192 1.0170 0.8606 1.3862 1.5846 1.9030 1.3514 1.5399 1.7872 1.6072 1.5182 2.0649 1.4343 1.3848 1.7721 0.9566 0.4911 1.1962 0.3810 0.8923 0.8946 0.5874 0.4853 1.1668 0.3134 0.5886 0.7396 0.7072 0.5619 1.1475 0.3990 0.8299 1.0707 1.4866 0.9336 0.8086 1.2105 0.8278 0.7295 0.3900 0.5569 0.4728 1.0232 0.5369 0.5219 1.1472 0.9140 0.5330 1.2431 0.3857 0.7227 0.7660
2-Aminoethanethiol 1.1835 0.9269 0.9907 0.8999 1.0197 0.7685 1.2087 0.9486 0.9290 0.9341 1.1596 1.0332 1.2230 0.9282 1.0376 0.9090 1.0747 0.8625 1.2347 1.0504 1.0159 0.8749 1.1094 0.9049 1.2804 0.9728 1.0363 0.9353 1.0059 0.9509 1.1011 0.8584 0.8720 0.9025 0.8349 0.8485 1.1335 0.9557 1.0087 0.9973 1.0376 1.0639 0.9866 1.0988 1.0116 1.0117 0.8812 1.1382 1.0183 1.0115 0.9337 0.9769 0.9347 0.9390 0.8840 1.2423 1.0282 1.0571 0.8944 1.0511 0.9326
2-Arachidonoylglycerol 1.0642 0.8056 1.0587 1.2698 1.1844 0.7489 1.4719 0.9958 1.0480 1.1765 1.4384 1.0959 1.0864 0.6966 1.0510 1.0397 1.2092 0.7622 1.2519 0.7897 1.0970 1.0804 1.1893 0.6204 1.1287 0.8226 1.1023 1.2261 1.2836 0.8022 1.0901 0.8812 1.0286 0.8729 0.9591 0.6732 1.1571 0.8833 1.3939 1.0787 1.2841 0.7480 0.9631 0.7348 0.4782 0.8999 0.9060 0.8404 0.6078 0.9855 0.9007 0.8920 0.9240 1.1304 0.7482 1.2220 1.0436 1.1720 1.0165 1.1515 0.8881
2-Benzothiazolesulfonic acid 0.1554 0.6412 1.3969 1.0689 0.2950 2.9253 0.7960 0.2511 1.3322 1.7575 0.2232 0.3501 0.5970 0.4408 1.5019 1.6572 0.7512 0.6720 0.5359 0.4014 1.4236 1.7357 0.2834 0.4773 0.1897 0.7357 1.3278 1.1356 0.5402 1.9898 0.2161 0.4182 1.3728 1.0096 0.3544 2.6638 0.3559 0.2475 1.4209 1.3194 0.5886 0.9205 0.8302 2.9440 0.4920 1.4676 1.6197 1.3531 0.5588 0.2014 0.5212 1.4350 3.2089 0.2596 3.5603 0.3123 0.5560 1.4033 1.8151 0.2369 0.4485
2’-deoxyadenosine 4.2082 4.4627 0.2505 0.3576 3.0387 2.8281 5.2931 2.6115 0.5207 0.0447 3.2469 1.9872 5.3357 1.8771 0.0447 0.0447 3.0744 2.7433 2.7873 0.6022 0.0498 0.0447 1.5766 0.9711 0.0505 4.3265 0.0447 0.2234 0.0447 0.0447 0.2354 0.0739 0.4404 0.0553 0.1217 0.0995 0.7471 0.0946 0.1605 0.0851 0.1212 0.2247 0.4421 1.4909 0.6850 0.0447 0.0447 1.6653 2.3065 0.2166 0.1001 0.2676 0.0506 0.1127 0.0785 0.1141 0.1348 0.0447 0.0653 0.0651 0.1763
2^-Deoxycytidine 0.7183 0.7242 1.4599 1.3914 0.7779 0.5809 1.2391 0.6398 2.2739 2.6177 0.4125 0.2721 1.7713 1.1387 2.1177 2.0473 0.9273 0.9869 1.8081 1.2313 2.0712 2.1667 0.9385 1.1143 0.7204 0.2319 0.6445 0.8490 0.3267 0.2293 0.2813 0.1924 0.4135 0.4881 0.4037 0.2172 0.8876 0.2426 0.4137 0.9632 0.3988 0.2195 1.1055 2.0903 1.3564 3.8195 3.5196 1.5449 1.2489 0.2348 0.2755 0.5560 0.8332 0.1826 0.2408 0.4761 0.5372 0.9038 1.3704 0.3658 0.3534
2-Methoxy-4-vinylphenol 0.8156 0.8645 0.8271 2.2836 0.8432 0.8227 0.7601 0.8711 0.9010 1.3271 0.8080 0.8326 0.8090 0.8314 0.8584 2.6159 0.8408 0.8324 0.8236 0.8137 0.8609 1.4872 0.8440 0.8585 0.8275 0.8398 0.8346 1.6439 0.8127 0.8330 0.8830 0.8476 0.8523 1.2045 0.9008 1.1318 0.8266 0.8475 0.8538 1.4628 0.8624 0.8368 0.9805 0.8097 0.8383 0.8610 1.9782 0.8380 0.8648 0.8677 0.8979 0.8510 1.2901 0.8733 1.3052 0.8433 0.8738 0.8205 1.8138 0.8438 0.8962
2^-O-Methylguanosine 1.1122 1.8411 0.7325 0.6335 0.5122 2.0937 1.4530 3.2175 0.6057 0.2766 0.0674 1.7347 0.1098 0.2800 0.9227 1.8350 0.5993 2.0017 0.3897 0.9489 0.6188 0.3641 0.3342 1.9321 0.3193 3.3844 0.6104 0.7167 0.1173 0.4505 1.0862 0.8352 0.8437 2.5024 0.3048 0.2921 0.3053 1.1466 1.1071 0.5402 1.1787 3.7176 0.0293 1.5634 0.9868 0.3054 0.9924 1.8522 1.0311 0.3485 1.3472 1.4182 2.0779 0.9454 1.5794 0.7616 0.9434 0.8275 1.9107 0.4849 1.5238
2-Pyridone 0.8323 0.7609 0.7107 0.7515 0.8824 0.6729 0.8011 0.8189 0.8897 0.7753 0.8264 0.8799 0.7794 0.8402 0.7293 0.7538 0.7173 0.7949 0.8533 0.7889 0.8186 0.7589 0.8792 0.6569 0.8797 0.6999 0.8366 0.9333 0.7956 0.6698 0.7297 0.8418 14.1239 0.7427 0.7630 0.7618 0.8172 0.8867 0.8993 0.7936 0.7075 0.8225 0.7532 0.9534 0.8053 0.8065 0.8392 0.7517 0.7538 0.8091 0.8091 0.7735 0.8501 0.8098 0.7676 0.7589 0.7710 0.9101 0.9722 0.6910 0.7550
(2R)-3-Hydroxyisovaleroylcarnitine 0.8708 0.7093 0.9591 0.8779 0.7096 0.7796 1.2857 1.0507 1.2182 1.2814 1.0596 1.1265 0.8026 0.6132 0.8110 0.8549 0.6639 0.6383 0.7205 0.6620 0.9405 0.8442 0.6025 0.6691 1.0439 0.7971 1.2332 1.1080 0.7698 0.7853 1.3986 1.2233 1.6832 1.6328 1.0023 1.2934 1.1221 0.9221 1.6212 1.5193 0.8584 0.9123 1.0341 0.6340 0.6052 0.7520 0.7376 0.5657 0.5505 1.1657 1.1316 1.7026 1.5783 0.9635 0.9473 1.0523 1.0707 1.6302 1.3716 0.8412 0.8479
2S-Amino-4E-octadecene-1,3S-diol 0.6792 0.9499 0.5519 3.5276 0.8349 1.2921 0.6336 0.6053 0.4406 1.1287 0.4769 0.8380 0.7711 0.7564 0.4845 0.9559 0.5844 0.6878 0.8747 1.0589 0.6070 1.3302 0.7546 1.3113 0.7485 0.7064 0.5614 1.7519 0.7373 1.7163 0.6282 0.6961 0.5268 2.3487 0.5867 0.6375 0.8603 0.9488 0.6712 2.0426 0.7708 1.4541 1.5563 0.4070 0.5676 0.3213 0.6033 0.5280 0.6159 0.5050 0.4727 0.4919 3.3765 0.5166 1.1149 1.2801 0.7451 0.6825 2.8931 0.6650 0.8334
(3-Carboxypropyl)trimethylammonium cation 1.4121 1.1955 2.0225 2.0387 1.2310 1.1548 1.2156 0.9612 0.9020 1.1098 0.9717 1.0562 1.5128 1.2034 2.2333 2.6045 1.2243 1.0306 1.4224 1.3061 2.4088 2.4848 1.1596 1.0795 0.7498 0.5694 0.9515 1.1232 0.5772 0.5054 0.4420 0.3469 0.4981 0.5536 0.3369 0.4474 0.5457 0.3910 0.8532 0.8701 0.4323 0.4201 1.0118 0.7789 0.7531 1.1659 1.3099 0.7463 0.7295 0.4666 0.4047 0.5370 0.6054 0.3956 0.3382 0.8696 0.7910 1.5515 1.5811 0.6918 0.6684
3-Dehydrocarnitine 0.5251 0.4438 0.5839 0.6149 0.5186 0.6354 1.4511 1.4378 1.4994 1.4727 1.2971 1.9277 0.4445 0.5249 0.4111 0.4596 0.5361 0.5309 0.6586 0.5382 0.6635 0.5470 0.5758 0.6427 0.9434 0.8713 1.2048 1.1175 0.8748 1.0487 1.0938 1.2607 1.5827 1.5600 0.9928 1.2946 1.1123 1.0551 1.3908 1.3977 0.9464 1.1274 1.3611 0.8950 0.7341 0.9406 0.7177 0.7963 0.7406 1.1007 1.2472 1.5966 1.6073 1.0538 1.2037 0.8021 1.0002 1.1965 1.0866 0.7632 0.8516
3-Hydroxybutyrylcarnitine 1.7430 1.4881 0.6392 0.8775 1.1782 1.6401 1.3942 1.3626 0.6886 0.8173 1.0213 1.4790 1.1329 0.9734 0.4312 0.5343 0.9296 1.1054 1.3376 1.3641 0.5849 0.5940 0.9329 1.2090 1.2734 1.0807 0.7892 0.8901 0.7471 0.9656 1.1612 1.1739 0.8084 1.0234 0.6941 1.3570 0.9588 1.0817 0.8265 1.1614 0.5534 0.9925 1.0527 0.8289 1.0524 0.7183 0.7854 0.6834 1.0310 0.9824 1.2697 0.7929 0.9627 0.7181 1.1646 0.9686 1.5013 0.6676 0.9046 0.6875 1.0132
3-Methoxytyramine 9.1763 10.9006 2.5118 8.7564 9.4422 9.3427 0.0158 0.0206 0.0127 0.0129 0.0130 0.0129 0.0207 0.0748 0.0219 0.0109 0.0458 0.2677 0.0127 0.0139 0.0159 0.0127 0.0130 0.0171 0.2145 0.2934 0.0407 0.2856 0.2459 0.3560 0.0186 0.0167 0.0109 0.0203 0.0188 0.0192 0.0388 0.0741 0.0148 0.0775 0.0343 0.0489 1.1070 0.5335 0.9753 0.4235 0.5518 0.7640 1.1904 0.0269 0.2019 0.0134 0.0610 0.0374 0.1548 0.2809 0.4414 0.0385 0.5736 0.2539 0.3549
3-Methylcrotonylglycine 1.1762 0.4605 0.8985 0.5636 0.9174 0.6660 0.6291 0.5069 0.6428 0.4169 0.8121 0.6050 0.7481 0.7938 0.9345 0.5995 0.9659 0.8231 0.8172 0.6578 0.9310 0.5917 0.6809 0.7258 2.1491 1.1237 2.2949 0.7646 1.6868 1.8964 0.4925 0.3955 0.8535 0.2602 0.4402 0.6455 1.3648 1.2298 1.6712 0.6785 1.4764 1.7191 1.5762 1.7422 1.7812 1.3892 1.0664 1.5369 0.8346 0.5639 0.6055 0.7549 0.3691 0.4511 1.3385 1.3666 0.8167 1.4895 0.4569 1.0108 0.7662
3-Methylcytidine 1.5533 1.4978 2.0917 1.8254 2.1777 1.1697 0.7420 0.5133 0.9915 0.8250 0.7037 0.5416 0.5952 0.4231 0.9539 0.7348 0.6633 0.5701 0.9566 0.7317 1.1344 0.8607 1.1644 0.8803 0.9618 0.6214 1.0154 0.9041 1.0151 0.6802 0.8791 0.5915 1.2309 0.6538 0.9690 0.7166 0.9496 0.7082 1.5656 1.0352 1.5320 1.0245 1.0313 1.3282 0.7566 1.4375 1.0665 1.5514 0.8798 0.8595 0.7422 0.9524 0.7224 1.1097 0.6644 1.0814 0.9017 1.4183 0.8929 1.2161 0.9031
3-Methylhistidine 1.0405 1.0337 1.0000 0.9897 0.9991 1.0647 1.0311 1.1041 0.9513 1.0208 1.1252 1.0290 1.1267 1.1875 1.1348 1.1638 1.1942 1.1776 1.0454 1.1420 1.1605 1.0260 1.0544 0.9860 1.0376 1.0640 1.2348 1.1055 0.9836 1.0445 0.7512 0.7891 0.8581 0.7321 0.6821 0.7882 0.8406 0.9125 1.0494 0.9865 0.8408 0.8556 1.1352 0.9932 1.1882 1.2313 1.2270 1.0985 1.0927 0.7177 0.8378 0.7977 0.7585 0.7106 0.7388 0.8945 0.9898 1.0451 0.9442 0.8269 0.8703
3^-O-Methylguanosine 1.4547 1.0891 1.2754 1.3017 1.3052 0.9960 1.5335 1.0554 1.4181 1.4282 1.0918 0.9062 0.9963 0.4990 1.0076 0.9809 0.8386 0.6138 1.3291 0.8759 1.3296 1.1691 1.1273 0.6863 0.9988 0.3501 1.0332 1.1028 0.5921 0.4908 0.6820 0.3262 0.7528 0.6562 0.4454 0.3924 0.7537 0.6154 1.1169 1.1996 0.8005 0.7205 1.1067 1.9130 1.5270 2.3669 1.9465 2.0170 1.6653 0.5138 0.5107 0.5729 0.7523 0.5762 0.3418 0.9974 0.7715 1.2808 1.1159 0.7200 0.5260
3α-Galactobiose 0.6598 0.7770 0.7216 0.9953 0.6955 0.4845 0.5926 2.0519 0.8777 0.7999 0.8107 0.7225 0.7475 0.6931 0.9060 0.8107 0.9322 0.8996 0.6894 0.6086 0.9230 0.8452 0.9343 0.8366 0.6287 2.7897 1.1936 1.0382 0.7369 0.8807 0.7751 1.0649 0.8405 1.4597 0.9387 0.8424 0.5577 0.6367 0.7597 1.0214 0.6299 3.0604 1.0512 1.5161 1.1949 1.8247 1.7207 2.0147 1.7060 0.9411 0.8435 0.7723 1.3770 0.9035 0.7040 0.6138 0.6154 0.6605 1.0251 0.7813 0.6529
3^-α-Sialyl-N-acetyllactosamine 2.0521 1.6250 2.1129 1.6102 1.4663 1.4136 0.3281 0.2775 0.5221 0.3020 0.3521 0.2607 2.6974 1.9711 2.4108 1.8232 1.9785 1.9740 1.9306 1.3837 1.8794 1.3333 1.6499 1.3472 1.1494 1.0218 1.4585 1.0752 0.9618 0.7525 0.1647 0.0959 0.3077 0.2053 0.0763 0.1741 0.3787 0.3138 0.6758 0.4618 0.3375 0.3191 1.2775 1.3943 1.0299 1.2507 1.0254 1.2624 1.0788 0.2316 0.2106 0.3683 0.2520 0.1299 0.1447 0.9668 0.8437 1.3854 1.0037 0.6934 0.6753
4-Acetamidobutyric acid 1.0173 0.8040 1.1637 0.7970 0.9092 0.8882 1.4607 0.7441 1.3584 0.7357 0.8450 0.8600 0.9162 0.5859 1.2606 0.8089 0.7082 0.8812 0.9983 0.7755 2.0380 0.8860 0.7966 0.7430 0.9323 0.7415 3.5524 0.8287 0.8311 0.7595 0.7869 0.9517 0.8695 0.6625 0.6498 0.7659 0.7882 0.6442 2.1513 0.7482 1.0431 0.7917 0.9266 1.5827 0.8518 3.4675 0.9822 1.1316 0.7451 0.8556 0.7954 0.9287 0.7636 0.7063 1.1571 0.8007 0.5895 1.1289 0.7737 0.8526 0.7827
4-Acetylbutyric acid 1.8357 2.1857 1.7802 0.6650 0.6473 1.6095 1.0098 3.4692 0.7710 0.7650 0.8272 0.7741 0.8389 1.2444 0.7149 0.5899 1.4483 0.7050 0.8106 1.0438 0.6765 1.0826 1.2820 0.6689 0.6053 2.1020 0.9219 0.4521 1.2108 0.5749 1.0362 0.5542 0.9326 0.4584 0.5430 0.7124 1.5056 0.5757 1.0133 0.1656 0.8658 0.7661 0.9879 0.8912 1.1335 1.5258 0.5466 1.8203 0.5437 1.6241 0.8868 1.1000 0.3829 1.4132 1.2067 1.0909 0.7827 0.5963 0.2854 1.0795 0.7111
4-Aminobenzoic acid 0.5981 0.3171 1.3791 1.6743 0.4322 0.3625 1.0577 0.8205 2.7070 3.4905 0.9170 0.7610 0.4060 0.2417 1.1423 1.3683 0.3320 0.2354 0.4277 0.3123 1.4409 1.6214 0.3958 0.3214 0.8582 0.5742 2.5204 2.6294 0.6355 0.6155 0.7941 0.6057 2.5078 3.1209 0.5635 0.6364 0.4932 0.3403 1.8067 2.1639 0.3787 0.3122 0.9924 0.2508 0.1828 0.8606 1.0590 0.2089 0.1823 0.6276 0.4729 2.0252 2.7062 0.5020 0.3570 0.5604 0.4641 2.0139 2.3792 0.4832 0.3839
4-Guanidinobutyric acid 0.8156 0.5609 1.2816 1.3751 0.6137 0.5865 1.3077 0.9565 1.5731 2.0795 0.9420 0.8999 0.6076 0.3960 0.9088 0.9243 0.4393 0.3471 0.6677 0.5308 1.2196 1.2357 0.4684 0.4562 0.8497 0.6339 1.5974 1.6583 0.6670 0.5837 0.9251 0.7128 1.8932 2.0923 0.6778 0.8112 0.9082 0.6608 1.9884 2.1971 0.6875 0.6318 1.0148 0.7105 0.5842 0.7767 0.7514 0.6158 0.5543 0.8781 0.8144 1.9105 2.0173 0.8101 0.6266 0.9326 0.9259 2.0920 2.1280 0.7395 0.6861
4-Hydroperoxy-2-nonenal 1.2502 0.7137 1.0111 0.9781 1.1049 0.6961 0.7396 0.9754 1.5804 0.5796 0.7765 1.1604 1.3209 0.9480 1.0895 1.0998 1.2584 0.8186 1.1579 0.8623 1.2851 0.9164 0.8721 0.9812 0.8340 0.8250 1.4304 0.7941 1.3935 0.7749 0.9561 0.9070 1.2217 0.7836 1.1248 1.1039 0.9905 0.9914 1.0262 0.7976 1.1849 0.8243 1.0440 0.9107 0.9325 1.2777 0.8238 1.6297 0.6480 1.0260 0.8300 1.1988 0.6625 1.1463 0.9467 0.8128 0.8061 1.4175 0.9886 0.8856 0.6908
4-Hydroxyhexenal 1.0655 0.8509 1.2605 0.9657 0.8968 0.8251 0.9852 0.9964 1.0883 0.9191 0.9656 0.8312 1.1915 1.0568 0.9560 1.0462 0.9373 1.1537 1.0122 0.9808 1.0175 0.9014 0.9095 0.7961 0.9391 1.2115 1.0053 0.8920 1.0690 0.9444 0.8897 0.9004 0.9216 0.9717 0.9624 0.9690 0.9368 0.8801 0.9109 0.9315 0.9503 0.9592 1.2775 0.9778 0.9581 0.9645 1.0067 1.1197 0.9444 1.1622 0.9216 0.9540 0.9578 0.9616 1.0218 1.0298 0.8940 0.9368 1.0132 1.0113 0.8887
4-Hydroxymandelonitrile 9.1894 12.1803 1.2173 5.8415 8.5766 11.8691 0.1219 0.1719 0.0618 0.1304 0.1141 0.1150 0.1793 0.2240 0.1442 0.1969 0.1582 0.2710 0.1024 0.0915 0.0932 0.1044 0.0798 0.0713 0.3428 0.3600 0.1841 0.3306 0.2716 0.3576 0.0675 0.0879 0.0830 0.0883 0.0404 0.0866 0.1720 0.1850 0.1171 0.2022 0.0996 0.1158 1.0210 0.4545 0.6166 0.3235 0.4539 0.5933 0.7182 0.1095 0.1852 0.0820 0.1473 0.0926 0.1862 0.2181 0.2675 0.1463 0.3870 0.1680 0.2448
4-Hydroxynonenal alkyne 1.1178 0.7286 1.1971 0.9635 0.8755 0.8275 0.7110 0.8579 3.3317 0.6078 0.8454 0.6934 1.3019 0.8327 1.1329 1.1120 1.2109 0.9280 1.0149 0.7443 2.3005 0.8385 0.8084 0.7779 1.0158 0.9511 1.6112 0.5132 1.1601 0.8234 0.9902 0.5951 0.9577 0.6383 1.2093 0.8726 1.0686 0.8553 1.2303 0.8051 1.2072 0.6736 0.8120 0.9150 0.6968 1.1567 0.5456 1.4660 0.6466 1.0373 0.6483 2.7066 0.5317 1.0733 0.7383 0.8579 0.9271 1.3523 1.0208 1.0242 0.6810
4-Imidazoleacrylic acid 0.5124 0.6875 0.9940 1.0587 1.0473 0.7062 1.3176 0.9501 0.8119 0.8751 0.8193 0.8736 0.7931 0.7380 0.9294 0.5373 1.0238 0.8386 0.7240 0.8075 0.7216 0.8702 0.6689 1.6601 1.1208 1.5493 1.5233 1.2245 0.7041 0.7528 0.5810 0.7671 1.0219 0.9800 0.7830 0.8135 0.6039 0.7608 0.9070 0.7746 0.7270 1.4134 0.8821 0.8720 1.1158 0.9534 0.8331 3.7553 1.0155 0.5047 0.9135 0.9726 1.0104 0.8642 0.6495 0.4923 1.3381 0.8579 4.4600 0.9227 1.0987
4-Imidazoleacrylic acid isomer 0.4804 0.7472 0.8211 1.2288 0.6155 0.7439 0.7487 0.7793 0.6978 0.5670 0.6444 0.8998 0.6574 0.6585 0.8452 0.5445 1.0110 0.8901 0.7412 0.9111 0.7202 0.6716 0.5984 0.7567 0.9630 3.9848 2.1253 0.9789 0.6212 0.9686 0.3867 0.6403 0.4813 0.6289 0.6665 0.8305 0.5795 0.6328 0.8969 0.6989 0.6051 1.0060 1.2554 0.6267 1.0207 0.7799 0.5417 3.1567 0.9292 0.4136 1.0262 0.7880 0.5332 0.7258 0.7700 0.4202 1.0134 0.8333 7.5965 0.8093 1.0322
5.beta.-Dihydrotestosterone 0.9134 1.4233 1.0441 1.0821 0.9800 1.2175 0.9051 0.9930 0.7114 0.6830 1.3926 1.4285 0.5837 1.0138 0.8874 0.9609 0.7222 0.9699 1.0836 0.8636 0.7292 1.0096 1.2586 0.8368 0.9496 0.9306 0.7917 0.9972 0.9389 0.6206 0.6159 1.7881 0.8228 0.9325 1.1255 0.8081 0.9729 1.5253 0.9465 0.5879 0.8532 1.0258 1.4323 1.2131 1.0236 0.8458 1.1136 0.8954 0.8880 0.6567 1.0446 1.0152 0.9253 1.2635 0.6470 1.1870 0.9061 0.8639 0.7724 0.8659 0.7307
5-Methoxytryptophol 0.5649 0.5749 0.3954 2.3093 0.3727 2.7104 0.5344 1.5293 0.2773 1.1072 0.6781 0.3756 0.5444 0.4000 0.7502 1.2841 0.3238 1.5737 0.4525 1.1110 0.6045 1.3265 0.4704 1.2013 0.3712 1.6137 0.5231 0.3485 0.3850 4.0744 0.4353 1.0195 0.4023 3.2091 0.5522 3.7898 0.2812 1.7304 0.4234 4.2902 0.4791 0.3410 0.3934 0.2811 2.1570 1.0914 0.3170 0.5827 3.4310 0.5996 0.7882 0.4419 0.5062 0.2293 1.2432 0.3758 1.3016 0.4289 0.6156 0.5537 2.4230
5^-Methylthioadenosine 0.9228 0.6039 0.9484 1.1104 0.3945 0.5253 0.7432 0.7406 1.2189 1.0828 0.9653 1.0027 0.8578 0.8154 1.2983 1.0272 0.8810 1.0630 0.7655 0.7647 1.2466 0.9325 0.7948 0.6792 1.1575 0.5076 1.1097 1.2970 0.5489 0.7174 1.2356 0.8723 1.0256 1.1794 0.5484 0.7546 0.7780 0.7861 1.4069 1.6769 0.8791 0.7860 1.1248 1.1466 1.2312 2.1118 1.6291 1.3274 1.3939 1.1123 0.6931 1.3407 1.1728 0.5986 0.6336 1.2054 0.6752 1.4444 1.4218 0.6143 0.9563
5^-Methylthioadenosine isomer 0.8211 0.5375 0.8699 1.1377 0.3437 0.5072 0.7692 0.7396 1.3827 1.2634 0.9440 0.9858 0.7425 0.7581 1.2876 1.0142 0.8228 1.0179 0.6754 0.7411 1.2349 0.9038 0.7246 0.6079 1.0975 0.4675 1.0913 1.4112 0.5068 0.6856 1.1550 0.8605 1.1100 1.3050 0.5107 0.7355 0.7251 0.7519 1.5473 1.8861 0.8566 0.6931 1.0682 1.1441 1.2262 2.3191 1.7660 1.3748 1.4540 1.1016 0.7073 1.3774 1.3083 0.5756 0.5858 1.2062 0.6931 1.5041 1.5236 0.5752 0.9790
5α-Cholest-7-en-3β-ol 0.9726 0.8283 0.5940 0.6990 1.2774 1.7266 0.9802 0.7861 1.3372 0.7090 0.8829 0.7984 1.3384 0.6980 0.3863 0.9247 0.6389 1.3858 1.0817 0.6615 0.3841 0.9266 0.8366 1.0102 0.7964 0.6076 0.3809 1.1146 0.7473 1.8456 1.5359 1.4151 1.2993 1.4147 1.2948 1.7134 1.4744 0.9210 0.6005 1.3766 1.1420 1.0489 0.0809 0.7558 1.0767 0.8980 0.7131 0.9421 0.4244 1.5625 1.3446 1.2129 1.8460 1.5733 1.5730 1.4327 1.6003 0.9222 1.6157 1.2337 1.3900
5β-Androstane-3α,17β-diol 1.2259 0.6718 0.7974 1.9225 0.8695 0.7264 1.7577 1.5551 1.4614 1.1399 0.6284 0.3607 1.1771 1.0154 0.6245 0.9117 0.6143 0.6372 0.5565 0.3978 0.9411 0.9890 1.9768 0.7472 1.0975 0.7424 0.9219 0.4610 1.3315 1.7953 0.5845 0.4943 1.0096 1.4181 0.6304 1.1410 0.6507 0.3614 0.9544 1.6008 0.4472 0.7464 0.5162 0.7118 0.8596 0.9562 0.4107 1.0977 2.7426 3.1847 0.3762 0.9857 0.9537 1.1606 0.6437 1.4606 1.6438 0.6435 0.9436 2.9543 0.6566
6β-Hydroxytestosterone 1.0424 1.2514 1.1330 1.1802 1.1040 1.5290 0.6142 1.1256 0.6600 1.0225 0.9311 0.8148 0.8742 1.1203 0.8406 1.2854 0.7305 1.1572 1.0379 1.3588 0.9304 1.1286 0.7007 1.7002 0.9580 1.1502 0.5482 0.6263 0.9980 1.1491 0.5273 0.9261 0.8155 1.0616 0.8281 1.0159 0.7936 0.8412 1.6597 1.1901 0.6172 1.1182 0.8476 0.5652 1.0196 0.8013 1.3255 0.9871 1.1360 0.7152 1.3480 1.1819 0.9555 1.1679 1.3143 0.8084 0.9059 0.6899 1.1708 1.4326 1.1585
9(10)-Epoxy-12Z-octadecenoic acid 0.8418 0.9239 1.0179 0.9784 0.8330 0.9340 1.0007 0.7957 0.8843 0.9400 0.9216 1.0171 0.9399 0.8549 0.8819 1.7045 0.8288 1.1065 0.8414 0.7888 0.7410 0.8925 1.0040 0.9394 0.8327 0.8473 0.7940 0.9022 0.8178 0.8095 0.8679 1.0065 1.0836 0.6193 0.9129 0.7014 1.0071 0.9509 0.7428 0.8394 0.7775 1.0155 1.4863 0.9962 0.9160 0.9386 0.9156 0.8736 3.4889 1.1307 0.8434 0.8394 0.9368 0.8410 0.9295 0.8748 1.0219 0.9603 0.9934 0.9661 0.9013
9,12-Octadecadiynoic acid 2.6858 0.0359 1.0769 0.0523 0.5721 0.4908 1.0057 0.0317 0.7005 0.2871 0.4262 0.5423 0.9875 0.1649 0.7924 0.2684 0.9022 0.1140 13.3064 0.3016 1.2038 0.4479 0.5764 0.1803 0.2265 0.1112 0.6353 0.0926 0.2397 0.1594 0.9566 0.0802 0.3813 0.1369 0.6725 0.6911 0.7234 0.0026 0.3944 0.6512 0.5944 0.1817 0.6352 1.7271 0.0149 1.4177 0.2431 0.8003 0.2287 16.5011 0.1364 2.6949 0.4049 0.7502 0.2846 0.4632 0.2104 0.7717 0.0981 0.7554 0.2828
9-Oxo-10E,12Z-octadecadienoic acid 0.7240 1.2254 0.6756 3.3632 0.5129 0.8866 0.6889 2.0633 0.9439 0.6248 0.7378 0.9669 0.8256 0.7940 0.6322 0.6352 0.8330 0.8579 0.7239 0.5809 0.7543 0.5603 0.5914 0.9762 0.4528 1.4976 0.9262 0.5826 0.6500 3.7407 0.6215 0.4301 0.5788 1.9097 0.7453 0.7976 0.4074 0.6258 0.7133 4.8253 0.7205 1.0915 0.7622 0.6422 2.4114 0.6988 0.4372 1.3645 3.5346 0.5807 1.2942 0.6443 0.9990 0.7822 0.7037 0.5058 0.4371 0.7927 0.6615 0.6964 0.5372
Abietic acid 1.2175 0.2051 1.9403 0.1110 0.3904 0.2907 0.5037 0.1943 0.9510 0.2387 1.1004 0.1033 0.7323 0.4538 1.2970 0.3254 0.6583 0.8074 0.9338 0.4179 1.4911 0.1292 0.1188 0.2583 0.6660 0.8776 1.7568 0.0815 1.4722 0.2288 0.5938 0.4006 0.2210 0.2271 2.6835 0.2559 3.1361 0.1236 1.2746 0.2287 1.6359 0.2442 2.5602 1.0197 0.2826 2.8837 0.0782 0.9813 0.5559 1.2416 0.2758 2.9543 0.1619 3.4701 0.8335 0.9543 0.1550 2.6515 0.2887 1.9350 0.3036
Acetyl-choline 1.9048 2.8048 2.0351 1.2882 2.2189 3.3828 0.2445 0.2438 0.1692 0.1141 0.2329 0.2121 1.4276 1.3480 1.1758 0.5426 1.4296 1.1794 2.3349 2.3347 1.6162 0.5891 2.0516 1.2312 0.9116 0.7566 0.6058 0.4381 0.8428 0.8275 0.4787 0.6363 0.6700 0.4549 0.4038 0.5676 1.2253 1.1019 1.4584 0.5043 0.8888 0.8770 1.1237 0.9204 1.0469 0.5540 0.1699 0.8340 0.7888 0.6420 0.7391 0.5028 0.3338 0.6662 0.6176 1.0528 0.9793 1.1263 0.4992 0.9159 1.2153
Adenosine 4.0363 4.3487 0.4637 0.9869 2.7288 4.1590 2.6144 2.2824 0.5181 0.1010 2.1716 1.7945 2.3275 1.7014 0.0124 0.0624 2.0378 2.0305 1.4366 1.2579 0.0330 0.0407 1.7470 1.2248 0.1015 0.3082 0.0119 0.0209 0.0412 0.1727 0.7800 0.8200 0.5836 0.0782 0.2607 0.9051 0.7570 0.8458 0.4208 0.1293 0.3097 0.5335 0.7871 1.3329 1.6328 0.0057 0.0289 1.4765 3.1262 0.5707 1.0591 0.4943 0.0509 0.4168 0.8461 0.6014 1.0637 0.0805 0.0444 0.3130 0.7494
Adenosine isomer 3.8319 4.2878 0.4250 1.0325 2.5174 4.2932 2.5615 2.4467 0.5283 0.0874 2.1135 2.0217 2.4047 1.7899 0.0042 0.0485 2.0070 2.1564 1.4500 1.3306 0.0235 0.0253 1.6490 1.3445 0.0745 0.3222 0.0030 0.0047 0.0239 0.1609 0.6753 0.8503 0.5120 0.0508 0.2528 0.9492 0.6866 0.8937 0.3469 0.1070 0.2969 0.5237 0.7724 1.3129 1.8673 0.0005 0.0080 1.4637 3.3657 0.5201 1.0652 0.4662 0.0273 0.3401 0.8386 0.5373 1.1070 0.0569 0.0216 0.2978 0.7555
Adenosine monophosphate 0.4980 0.5107 0.3859 0.6114 0.1544 0.4861 1.7958 1.7188 0.6390 1.2189 1.0573 1.7804 1.3879 1.8670 0.8288 1.3514 1.2014 1.5866 1.5803 1.8523 0.9256 1.6896 1.0518 1.2031 1.2514 1.3170 1.0393 1.5304 0.6205 1.1369 0.5224 0.7314 0.4890 1.2848 0.2975 0.8057 0.9830 1.5114 0.4781 1.6497 0.3375 0.9497 0.9963 0.5343 1.2659 0.4607 0.7206 0.5988 1.0488 0.5811 0.9130 0.6436 1.4283 0.2952 0.7240 1.0857 1.2870 0.9537 1.6809 0.5904 0.8885
Adenylosuccinic acid 0.8414 0.2186 0.3533 0.4531 0.1042 0.3142 2.6034 1.1777 0.7706 0.9959 1.4290 1.5965 2.0162 1.1924 1.1651 1.3443 1.3619 1.3048 2.7926 1.3430 1.5697 1.3127 1.6569 1.0739 1.8342 0.7663 1.2058 0.7873 0.7410 0.8320 0.7009 0.4335 0.8029 1.1445 0.2550 0.5062 1.4553 1.0985 0.5797 1.2819 0.2184 0.9036 1.0749 0.5992 0.9659 0.8530 0.7955 0.6550 0.7294 0.7768 0.5627 0.8122 1.1002 0.3823 0.4822 1.8755 0.9521 1.1638 1.0893 0.7324 0.5507
Ala-Gln 0.3288 0.3250 0.2239 0.1713 0.3267 0.3849 0.3935 0.3034 0.1979 0.1793 0.4182 0.4666 0.2739 0.2112 0.1666 0.0998 0.2816 0.2610 0.2526 0.1994 0.1908 0.1255 0.2332 0.3010 0.3134 0.2174 0.2215 0.6754 0.2612 0.3230 0.5378 0.4740 0.3466 0.3619 0.4269 0.5949 0.3652 0.2915 0.2871 0.2814 0.3988 0.4139 1.0689 7.9100 8.6299 4.3450 4.0275 9.3983 7.3203 0.4593 0.4664 0.3457 0.3473 0.4766 0.4861 0.3828 0.3831 0.2730 0.5347 0.3291 0.4239
Ala-Ile 0.8983 0.5855 0.4484 0.6265 0.6619 0.7688 2.7352 1.9495 1.2500 1.9637 2.4900 2.7154 0.8348 0.7156 0.2911 0.7113 0.8334 0.8182 0.8008 0.7257 0.3976 0.6317 0.6658 0.7095 0.6299 0.3637 0.2585 0.7061 0.5815 0.7018 1.1400 0.9855 0.7233 0.9222 0.9561 1.3715 1.0156 1.0294 1.1004 1.4328 1.0988 1.3696 1.0740 1.0844 1.2575 0.6478 1.0567 1.2701 1.3807 0.9699 1.0894 0.6829 1.0349 0.9568 0.8582 0.8555 1.1129 0.8159 1.1827 0.6481 1.1008
Alanine 1.1363 0.9581 1.0911 1.0773 1.0192 0.9800 1.2896 1.0806 1.0611 1.1275 1.2476 1.1659 1.2336 1.0379 1.1354 1.1081 1.1513 1.1136 1.2909 1.2007 1.3399 1.2082 1.2490 1.1307 0.9271 0.7356 0.8629 0.8564 0.8110 0.7867 0.9469 0.8521 0.9782 0.9148 0.8173 0.8399 0.9403 0.8064 1.0230 1.0041 0.9332 0.8740 1.0196 0.9404 0.8823 1.0249 0.9737 0.9786 0.8919 0.8973 0.8389 0.9322 0.8945 0.9308 0.7545 0.9687 0.9283 1.0676 0.9307 0.8700 0.8506
Ala-Ser 0.7239 0.2632 0.3458 0.6890 0.2632 0.2808 0.4655 0.4867 0.2632 0.6862 0.2632 0.3470 0.5068 0.2951 0.3846 0.3095 0.3847 0.5793 0.3628 0.2632 0.4727 0.5129 0.3725 0.2632 0.7795 0.2880 0.3684 8.3077 0.4854 0.2632 2.6158 0.7545 1.2140 2.9000 1.1569 0.6662 0.4796 0.4316 0.5019 1.5869 0.7580 0.4207 1.2722 1.2834 1.0086 0.7917 0.5825 1.6823 1.0661 0.8869 0.7575 1.6535 3.4316 1.2628 0.3800 0.7725 0.3841 0.6329 7.4824 0.4794 0.3036
Aminophenol 1.2365 0.6664 1.0859 0.9547 1.5796 0.7922 1.4446 0.7545 1.0825 0.6608 1.0122 1.0942 1.2312 0.7964 0.8171 0.7781 0.9379 0.7341 1.1984 0.8059 1.2896 0.9532 1.0295 0.6665 1.1694 0.6232 1.4156 0.8036 0.9146 0.5936 0.9421 0.5016 1.4757 0.8706 1.1360 0.6514 1.1632 0.6813 1.6381 0.7515 1.1922 0.8542 1.0922 1.4338 0.7509 1.4884 0.9744 1.1314 0.7389 1.0612 0.6815 1.1217 0.9423 1.1011 0.7376 1.3014 0.7205 1.5801 0.9921 1.0202 0.7701
Androstane-3,17-diol 0.9893 0.8527 1.0828 0.9273 1.1423 0.9790 0.7919 0.9814 1.0269 0.7798 0.8644 0.6427 0.9473 0.9583 1.1696 0.8826 0.9021 0.7000 1.0803 0.9920 1.0815 0.9356 1.0657 1.2660 1.0923 0.6103 0.8465 1.4783 0.8818 0.7316 0.7969 0.7521 0.8469 1.1470 0.5744 0.9245 0.8411 0.5950 1.4508 1.1617 0.8598 0.6770 1.4702 0.5581 0.7534 1.1551 0.7093 1.2545 0.6919 0.8983 0.9138 1.1895 1.2134 1.1243 0.9347 0.9029 1.2068 1.0195 1.5446 1.4628 0.7481
Androstenedione 1.2286 0.9241 1.0175 1.1062 1.0602 1.0380 0.7297 1.1475 0.7918 1.2088 0.7769 0.4794 1.0256 0.9409 1.0650 0.8885 0.9569 0.9220 1.2285 1.3943 1.2017 1.1872 0.6052 1.3147 0.8119 0.8015 0.9625 0.4835 1.1336 0.9227 1.1256 0.6980 0.8472 0.8631 0.6481 0.8983 1.1029 0.4967 1.4267 1.0074 0.9498 0.8195 1.2160 0.9697 1.1457 0.8030 0.9558 0.7703 0.9693 1.1313 0.8278 1.1289 0.7629 1.0005 1.0829 0.9854 1.1798 1.1829 1.1757 1.6219 0.9613
Arg-Ala 0.7820 0.3169 0.5545 1.2177 0.5284 0.4234 0.5512 0.2644 0.5242 0.7811 0.6047 0.4848 0.8573 0.2182 0.3448 0.8851 0.5145 0.3360 0.4624 0.2380 0.5216 0.7398 0.5488 0.3269 1.0945 0.4824 0.6338 3.4619 0.7750 0.4898 1.8241 1.1383 1.8786 1.9183 1.4081 1.3357 1.0732 0.6193 1.5793 1.2485 1.4972 0.9078 1.2544 0.9836 0.5036 0.6435 1.1302 1.0073 0.5635 1.8440 1.0096 1.4495 1.9018 1.8867 0.9168 1.0475 0.8143 1.4600 3.2546 1.0294 0.8577
Arg-Asp 0.8543 0.1892 0.6024 0.3982 0.2326 0.2256 1.2331 0.3931 1.0012 0.8515 0.8341 0.3012 1.2194 0.2417 0.4335 0.6857 0.8144 0.3082 0.9792 0.3065 0.8725 0.2982 1.0753 0.1364 1.2700 0.3307 0.8641 0.7487 0.9121 0.3009 1.8328 0.7623 3.9350 0.9588 0.5513 0.7114 1.4698 0.4181 3.6145 1.3381 1.8105 0.6184 1.2248 1.2019 0.5178 0.7511 0.6530 0.9145 0.3820 2.4036 0.4358 2.6522 0.7207 2.9029 0.1865 1.4671 0.4293 3.6004 1.0111 1.0732 0.6095
Arg-Glu 1.8332 0.3591 0.3500 1.4162 0.4606 0.2503 0.4074 0.2248 0.4474 0.9010 0.7348 0.2745 2.0633 0.3428 0.2554 0.6662 0.2508 1.1779 0.7310 0.2100 1.0069 0.2901 1.9448 0.2825 4.3875 1.5815 4.0792 1.0424 2.2190 0.9441 1.6221 0.2874 4.7422 0.2933 0.9288 0.2625 0.3165 1.1085 1.6945 0.6810 0.4522 0.3072 0.4603 2.3578 0.3678 1.5003 0.3818 0.5292 0.6304 1.1864 0.3077 0.6071 0.7352 1.1243 0.2634 0.8829 0.6162 4.6031 1.3044 1.2942 0.2431
Arginine isomer 1.1440 0.7664 1.1045 0.6411 1.2760 0.8706 0.8285 0.4860 0.9267 0.6221 0.9428 0.5831 0.9273 0.4385 0.8811 0.6638 1.0202 0.7352 0.8695 0.5027 1.0403 0.5253 1.0023 0.7811 1.1787 0.7531 1.3513 0.7706 1.2351 0.7202 1.6043 1.0753 1.9726 0.8641 1.3033 0.9911 0.9971 0.7166 1.5919 1.0074 1.5214 0.9494 1.1474 0.7850 0.5019 0.7766 0.5964 0.9969 0.6133 1.6597 0.9224 1.8683 0.8428 1.6326 0.8710 1.3155 0.8835 1.7505 0.7948 1.3348 0.9165
Argininosuccinic acid 1.1508 0.4033 1.3721 0.6848 0.7889 0.4629 1.1543 0.4019 1.2748 0.9272 1.0641 0.4516 1.2435 0.3586 1.3171 0.8934 0.8866 0.5267 1.2254 0.3951 1.4628 0.6401 1.0567 0.5221 1.3248 0.5473 1.7234 0.7109 1.2564 0.6175 1.4457 0.7616 2.0917 0.8173 1.1789 0.5590 1.1640 0.5072 2.1495 1.2394 1.6423 0.7485 1.0464 0.9535 0.4719 1.8285 1.1041 1.0699 0.4997 1.3626 0.5107 1.9546 0.8443 1.4068 0.3654 1.3343 0.4863 1.8718 0.7616 1.2086 0.5773
Arg-Leu 0.2413 0.1578 0.1786 2.7875 0.0812 0.1521 0.1388 0.0725 0.2023 1.7691 0.0414 0.0662 0.6753 0.4101 0.4316 4.0572 0.3977 0.2853 0.3959 0.2655 0.5865 3.1559 0.2018 0.1581 1.5836 0.3582 0.7974 12.6904 0.6514 0.4195 0.5697 0.2964 0.7730 2.3114 0.2849 0.1682 0.4029 0.2899 0.3144 2.8421 0.4878 0.1645 1.2886 0.1958 0.0971 0.1144 3.2168 1.3063 0.0465 0.9644 0.2304 0.4805 2.2038 0.4403 0.1898 0.3975 0.2028 0.3990 5.1431 0.4220 0.1551
Arg-Thr 0.9246 0.2294 0.4366 0.5070 0.3858 0.2430 0.8842 0.2385 0.5169 0.2532 0.4002 0.2509 1.5284 0.2091 0.3148 0.2935 0.6435 0.2091 0.6659 0.2091 0.9810 0.2279 1.3431 0.2091 2.4692 0.2205 0.8667 2.8174 0.8701 0.3372 1.5517 0.3248 3.3915 0.8849 0.4820 0.7473 1.5452 0.2259 3.3540 0.7678 2.1186 0.2652 1.6685 1.1213 0.2320 0.2977 0.2521 1.3571 0.2091 2.7468 0.2777 1.9561 1.2033 2.4687 0.2266 1.3807 0.2915 3.3310 2.6560 0.9821 0.2395
Arg-Tyr 0.1566 0.1372 0.1372 0.7697 0.1372 0.1372 0.6135 0.2704 0.3535 1.4242 0.2604 0.1372 0.2396 0.2310 0.1372 0.2946 0.1809 0.1372 0.1989 0.2182 0.1372 0.4268 0.1372 0.1372 0.9109 0.1372 0.2222 23.6753 0.2077 0.2429 0.5102 0.1611 0.8639 1.9417 0.3011 0.2301 0.3736 0.2416 0.1793 1.0165 0.7194 0.2060 0.8016 0.2651 0.1372 0.1694 0.2115 0.6664 0.1372 0.7977 0.2482 0.1718 2.7876 0.4783 0.1372 0.2120 0.2801 0.1799 14.5766 0.1905 0.2192
Arg-Val 0.3441 0.1591 0.2186 6.1311 0.1591 0.1591 0.2474 0.1955 0.1979 2.0199 0.2333 0.1591 0.5590 0.1591 0.2024 1.5620 0.1999 0.1591 0.2004 0.1792 0.2130 1.3922 0.2482 0.1591 2.4936 0.2250 0.2065 9.2098 0.2418 0.4084 0.6571 0.2730 1.4929 2.6534 0.2063 0.3038 0.4654 0.2047 0.5997 2.0776 1.1139 0.2375 0.6146 1.2298 0.7288 0.8718 3.4328 3.0372 0.9075 1.5632 0.3727 0.3994 2.9963 1.0750 0.1859 0.3899 0.1951 0.3928 5.0353 0.4453 0.1879
Asn-Arg 1.0668 0.2763 0.3634 1.2856 0.2066 0.3848 0.9460 0.3143 0.9500 0.7417 0.4919 0.3905 1.6300 0.4913 0.5662 1.0213 0.4694 0.4128 0.8779 0.3959 0.9487 0.4255 0.6965 0.2066 2.8859 0.3334 1.1408 3.7769 1.1443 0.3284 1.6442 0.5456 1.6096 2.5838 0.5739 0.3209 1.5635 0.4978 2.4918 1.2549 1.9539 0.5450 0.8883 1.3648 0.4323 0.5334 0.4689 0.9987 0.2455 2.3925 0.2737 0.8808 2.1884 1.7493 0.2769 1.3132 0.2960 1.9407 3.4415 0.6634 0.3584
Asparagine 1.1445 0.9618 1.1442 1.0744 0.9677 0.8795 0.7509 0.6108 0.9469 0.8880 0.7505 0.5499 1.2047 1.0967 1.3153 1.1848 1.1164 1.0344 1.0268 0.8851 1.2194 0.8971 1.0240 0.7461 1.2171 0.8736 1.3274 1.3226 1.0917 0.9183 1.1371 1.0088 1.3054 1.1867 0.8866 0.9737 0.9744 0.8742 1.3648 1.2459 1.0537 0.7972 0.9823 0.9613 0.8855 1.1573 1.0960 1.0508 0.9211 1.0109 0.9304 0.9731 1.0637 0.9591 0.7972 0.9183 0.7808 1.0847 1.0056 0.7740 0.7417
Benzyl alcohol 1.0714 0.8239 0.9278 0.7809 1.1154 0.7740 1.0343 0.8893 1.3578 0.8103 1.0418 0.8881 1.2014 1.0053 0.9801 1.0010 0.9853 1.1159 1.1563 1.0048 1.2258 0.8810 0.9626 0.7440 1.0201 1.1164 1.1993 0.8788 1.0979 0.9263 0.7998 0.8492 1.0614 0.9151 1.1851 0.9615 0.9011 0.9010 1.1464 0.9723 0.9624 0.9095 1.1521 1.1010 0.8725 0.9917 0.9226 1.0441 0.9451 1.3694 0.9423 1.0601 0.8043 1.1027 0.8858 0.9929 0.8264 1.1011 0.8858 0.9543 0.8363
Benzyl-valine methyl ester 0.5966 5.4413 0.4820 0.4507 0.7714 0.5736 0.5459 0.7320 0.3629 0.3177 0.4272 0.9038 0.3567 0.5803 0.4340 0.5948 1.0755 0.8880 0.4752 1.2665 0.4526 0.3093 0.5186 0.3995 0.3345 1.0494 0.4133 0.4640 0.5191 0.7889 0.4347 14.5499 0.7832 0.3048 0.8654 0.4374 0.8733 0.7065 0.5390 0.4299 0.3415 0.6176 1.0712 0.3142 0.8868 0.4273 0.5161 0.4466 3.3807 0.3206 1.0007 0.5259 3.0244 0.4591 0.8060 0.3675 0.8992 0.3368 0.6341 0.9827 0.8981
Betaine 1.2753 0.7754 0.5575 0.6538 1.2428 1.1095 2.3992 1.3412 0.8943 1.0374 1.7822 1.9207 0.6520 0.3867 0.4927 0.5460 0.5983 0.4798 0.8598 0.6452 0.5989 0.6054 0.8351 0.8402 1.3876 0.9321 1.1465 1.1911 1.1226 1.0050 1.2207 0.8707 1.1877 1.3910 0.9825 0.9102 1.0216 0.7004 0.9308 1.0916 0.9678 0.8494 1.0694 0.9058 0.5806 1.1766 1.4453 0.8217 0.7204 1.2980 0.9324 0.9417 1.0673 1.2263 0.9586 1.1891 0.8240 0.9085 0.9553 1.2026 1.0510
Butyrylcarnitine or Isobutyrylcarnitine 1.0169 1.4366 0.5626 1.6124 0.8234 2.0369 1.3424 2.2688 0.4373 0.7727 1.3398 1.7641 0.6112 1.2092 0.3675 0.7816 0.6864 0.9815 0.7895 1.5151 0.4954 1.0266 0.4991 0.9352 1.1240 1.7911 0.4871 1.1249 0.7423 1.2977 0.5385 1.0195 0.2732 1.1447 0.5093 1.3089 0.8356 1.8335 0.3946 1.1657 0.3934 0.9325 1.0178 0.4220 1.2368 0.4827 0.6961 0.4211 0.9266 0.5373 1.6336 0.3774 1.4680 0.3635 1.5589 0.8017 2.3612 0.5832 1.8550 0.9444 1.0107
Caffeine 0.6207 0.6502 1.2045 0.7738 0.8953 0.7750 0.9157 0.9991 1.0464 0.8716 0.9986 1.2316 0.6873 0.8744 1.0918 0.7787 0.8790 0.7993 1.1717 0.9002 1.2298 0.9488 1.2676 0.9179 1.3247 0.7998 1.6142 0.9652 0.8728 1.1768 0.8576 0.8724 0.8145 0.9224 1.0462 1.2413 0.8131 1.0498 1.0718 1.0250 0.8474 0.9214 1.1748 0.8654 1.0456 1.0837 0.7850 1.2181 1.0708 0.9930 0.9559 1.1175 0.6490 0.9272 0.9333 0.8176 1.0641 1.1277 1.7457 0.7554 1.1839
Carnitine 0.9971 0.6941 0.9262 0.7807 0.8302 0.7829 1.6750 1.4099 1.2778 1.4307 1.6006 1.4655 0.7756 0.5499 0.7562 0.7295 0.7256 0.5674 0.8367 0.6940 0.9539 0.8315 0.8221 0.7321 1.1796 0.9244 1.1831 1.1211 1.0027 0.9556 1.2307 1.1388 1.3577 1.2885 0.9588 1.0292 1.0247 0.8048 1.4075 1.3170 0.9012 0.7966 1.0112 0.7573 0.6833 0.9406 1.0258 0.7802 0.6599 1.1605 1.0256 1.2951 1.2955 1.0319 0.8235 1.0087 0.9195 1.3548 1.1114 0.8212 0.7810
Carnosine 0.5330 0.5321 0.5165 0.3725 0.5059 0.5760 0.3900 0.3463 0.2518 0.2731 0.3978 0.4206 0.3129 0.2818 0.2404 0.2320 0.3311 0.2974 0.3024 0.2858 0.2142 0.2259 0.2911 0.3677 0.3731 0.3238 0.2929 0.3025 0.3284 0.3705 0.5423 0.5281 0.4499 0.4642 0.4819 0.6268 0.4140 0.3727 0.3705 0.4061 0.4106 0.4544 1.1712 6.4915 6.4762 5.9234 5.9079 6.8386 6.0445 0.4644 0.4796 0.4480 0.4494 0.5139 0.5257 0.4302 0.4506 0.3846 0.3854 0.4209 0.4768
Carnosine isomer B 0.7203 0.2045 0.3599 0.2715 0.1925 0.2669 0.2745 0.0933 0.3547 0.2600 0.2662 0.0949 0.8529 0.1226 0.1232 0.1952 0.4092 0.1954 0.3499 0.1228 0.3440 0.1918 0.5809 0.1743 1.0573 0.4110 0.5661 0.8475 0.8870 0.3773 2.9761 1.5939 5.4789 1.5363 1.3990 1.5376 0.9941 0.4475 2.7877 1.5128 2.5515 1.0042 1.0646 0.4432 0.1361 0.1081 0.1002 0.4358 0.2387 3.2527 1.3368 3.6652 1.6195 3.5240 1.0178 1.3432 0.8492 3.0572 1.1403 1.3012 1.1125
Choline 1.0752 0.8490 1.1267 0.9336 1.0518 0.7565 0.9359 0.5891 0.8481 0.9165 0.9256 0.6944 1.0208 0.7058 1.0415 0.9290 0.8791 0.7221 0.9286 0.6499 1.0510 0.7909 0.8773 0.7596 1.1690 0.8863 1.3500 1.2115 1.1645 0.9265 1.1812 1.0017 1.3023 1.1252 1.0113 0.9303 1.1230 0.7921 1.4991 1.2133 1.2135 0.9909 1.0405 1.0735 0.6487 1.2669 1.1789 1.0301 0.7127 1.1207 0.9026 1.2242 1.0882 1.1224 0.8016 1.1507 0.8974 1.3325 1.0477 1.0506 0.9927
Citrulline 0.7061 0.6898 0.9584 0.9541 0.7115 0.6378 2.2740 1.7102 2.8824 3.1097 1.6436 1.5148 1.3462 1.1857 1.5545 1.5133 1.3248 1.4435 0.7630 0.7456 1.3292 1.1615 0.7439 0.5541 0.5165 0.6271 0.7504 0.7857 0.3499 0.3258 0.6069 0.5232 1.3079 1.3022 0.5820 0.4786 0.5444 0.4559 1.0991 1.1601 0.5799 0.5438 1.0707 1.0300 0.9604 1.8039 1.7290 1.1460 0.7388 0.5368 0.5457 1.2258 1.1518 0.6240 0.3822 0.4812 0.5202 1.0560 0.8521 0.4589 0.3979
Cotinine 0.5533 0.5587 0.7505 2.5363 0.5536 2.6690 0.4867 2.1211 0.6330 2.1244 0.6493 0.4560 0.5720 0.4929 1.0488 0.5633 0.6758 2.0869 0.6389 0.4585 0.6654 1.6689 0.6263 2.4691 0.6559 2.5335 0.6820 0.5454 0.5913 0.7246 0.7271 2.5512 0.6596 2.3117 0.5988 1.8506 0.5296 0.4354 0.5365 2.7111 0.7966 0.4557 0.6703 0.8053 2.2256 0.7219 0.4845 0.7829 1.9366 0.6120 0.5622 0.8338 0.5590 0.6507 0.5738 0.5483 1.8729 0.5981 0.7422 0.6421 0.5824
Creatine 1.0330 0.9018 0.8893 0.9729 0.8865 0.9663 1.5846 1.4226 1.1976 1.4239 1.4394 1.5490 1.1658 1.0118 0.9792 1.0847 1.0566 1.0619 1.1609 1.1437 1.1299 1.1067 1.0741 1.0595 0.9357 0.7745 0.8157 0.8910 0.7943 0.8401 0.9130 0.8527 0.8609 0.9443 0.7262 0.8735 1.0047 0.9337 1.0204 1.1036 0.9140 1.0034 1.0178 0.8118 0.8440 0.8348 0.8951 0.8531 0.8716 0.8914 0.9218 0.8842 0.9563 0.8597 0.8488 1.0256 1.0333 1.0550 1.0358 0.8515 0.9316
Creatine isomer 1.0345 0.9072 0.8750 0.9861 0.8591 0.9617 1.5585 1.4059 1.1894 1.4257 1.4318 1.5505 1.1659 0.9902 0.9617 1.0855 1.0258 1.0826 1.1611 1.1186 1.1231 1.1175 1.0621 1.0576 0.9358 0.7783 0.8245 0.8901 0.7847 0.8254 0.9332 0.8670 0.8582 0.9357 0.7179 0.9061 0.9887 0.9267 1.0326 1.1154 0.9111 1.0124 1.0303 0.8071 0.8323 0.8249 0.8956 0.8395 0.8879 0.9226 0.9719 0.8756 0.9587 0.8631 0.8687 1.0146 1.0335 1.0868 1.0329 0.8320 0.9160
Cyclohexanamine 0.1388 0.1568 1.7108 1.9114 0.1208 3.8317 0.1679 0.2894 1.8048 3.0354 0.1318 0.2277 0.1602 0.2498 1.7949 3.2825 0.2371 0.2260 0.1878 0.3094 1.7961 3.3604 0.1503 0.2338 0.1284 0.2347 2.1620 1.7994 0.1393 2.4225 0.1732 0.2116 1.4095 1.7824 0.1314 2.9808 0.1665 0.2581 1.4914 1.4857 0.1772 0.2136 1.0295 0.1408 0.1801 1.6582 3.1597 0.1357 0.2218 0.1545 0.2295 1.4745 1.7625 0.1735 3.6098 0.1576 0.2477 1.5884 1.7033 0.1278 0.2398
Cys-Asn 1.0301 1.0425 1.0548 1.0001 1.0221 0.9548 0.9314 1.0277 0.9420 0.8238 0.9910 0.8841 1.0034 1.0189 1.0205 0.9428 1.0220 0.9455 1.0776 1.0602 1.0461 0.9243 1.0418 0.9926 1.0095 1.0840 1.0579 0.9380 1.0754 0.9752 1.1385 1.0330 1.0136 1.0266 1.0060 0.9164 0.9902 0.9833 1.0056 0.9099 1.0226 0.9250 1.0384 0.8722 0.8504 0.9412 0.8544 0.9243 0.8751 1.1057 1.1048 1.0995 1.0229 0.9648 1.0133 1.0783 1.0314 1.0356 1.0676 1.0759 0.9749
Cys-Gly 1.2565 1.1666 0.4627 1.6385 0.6529 1.5674 1.5823 1.9566 0.6368 1.5787 0.8630 1.0192 1.5184 1.7474 0.7558 1.6517 1.4197 1.2404 1.2738 1.8282 0.5592 1.4977 0.9441 0.7295 0.9484 1.1347 0.3964 1.6365 0.5029 0.8338 0.5725 0.7533 0.3939 1.3302 0.2208 0.7293 1.0263 1.4007 0.4296 1.4260 0.4914 0.4933 0.8717 0.7450 1.6371 0.3223 0.9771 0.7160 1.5173 0.6268 0.9135 0.4302 1.3817 0.3870 0.7137 1.0185 1.4431 0.4140 1.6275 0.5375 0.9822
Cys-Pro 0.0923 0.1528 0.0910 0.2542 0.1854 0.3284 0.2578 0.3447 0.1812 0.5252 0.1782 17.6698 0.1529 0.2310 0.1296 0.2749 0.2550 1.2310 0.0756 0.2487 0.0862 0.0848 0.1167 18.1029 0.1958 0.5637 0.1003 0.0787 0.1460 4.3566 0.1152 0.1009 0.0633 0.0878 0.0633 0.0925 0.0980 0.0633 0.0633 0.0633 0.0633 14.4124 0.0424 0.1376 0.3046 0.0904 0.1545 0.1665 0.5292 0.0725 0.1369 0.0851 0.0633 0.0633 0.0633 0.2224 0.3883 0.0908 0.0804 0.1313 0.1491
Cysteine-glutathione disulfide 1.1196 0.5488 0.8888 0.6064 1.8506 0.6284 1.7652 0.6474 1.3526 0.8881 2.1948 1.1457 1.1188 0.4630 0.9733 0.6713 1.3240 0.8208 0.8841 0.4093 0.7629 0.2783 0.9249 0.7731 1.4416 0.6315 0.9633 0.5543 1.7931 0.7190 1.4813 0.7429 0.8874 0.3382 1.4581 0.6059 1.0286 0.5327 1.1507 0.5415 1.5374 1.3824 1.0282 1.3428 0.5050 1.0138 0.6633 1.3948 0.5968 1.5078 0.7770 0.7753 0.3901 1.4832 0.4751 1.8072 0.8819 1.5712 0.6185 2.0328 1.1888
Cytidine 5^-diphosphate ethanolamine 1.3681 1.2200 1.3683 1.4397 1.1300 1.2000 0.9204 0.7411 0.9947 1.0924 0.7682 0.7405 1.3626 1.1696 1.3583 1.3994 1.2360 1.2260 1.3009 1.1440 1.2974 1.3118 1.1891 1.0552 1.0754 0.8691 1.1384 1.1078 0.9003 0.8257 0.6951 0.6808 0.8108 1.0324 0.4099 0.6237 0.8896 0.7848 1.0844 1.1156 0.6740 0.7878 1.0157 0.9203 0.9387 0.9613 1.0375 0.9646 0.9750 0.7646 0.7161 0.9632 1.0125 0.5591 0.6221 0.9788 0.9222 1.2553 1.1830 0.7828 0.8229
Cytidine 5^-diphosphocholine 1.1613 1.0901 1.2676 1.3569 0.9412 0.9894 1.3002 1.0673 1.2162 1.3739 1.0970 1.1435 1.2516 0.9973 1.2193 1.3879 1.0947 1.0837 1.1003 1.0100 1.2427 1.1260 1.0081 0.8898 0.9044 0.7376 0.9978 1.0090 0.7028 0.6835 0.7773 0.7252 1.0141 1.1518 0.4671 0.6829 0.7974 0.7968 1.0055 1.0375 0.6293 0.7053 1.0207 1.1974 1.1890 1.3792 1.6136 1.1312 1.2580 0.7203 0.6740 1.1193 1.0945 0.5459 0.5887 0.7930 0.7726 1.2589 1.0585 0.6111 0.6475
Cytidine-5^-monophosphate 0.8879 0.4986 1.0942 1.4552 0.2066 0.6811 1.4012 1.0074 1.5479 1.4707 0.9601 1.0086 1.4400 1.7377 1.4811 2.2180 1.1786 1.1788 1.8231 2.0366 2.0007 2.7612 1.5006 1.2250 0.4876 0.3873 0.6904 0.9086 0.2929 0.2923 0.4229 0.2758 0.6264 0.9332 0.2097 0.2809 0.5966 0.5940 0.9646 1.0044 0.2436 0.3268 1.0433 1.3305 2.3601 1.6609 2.3111 1.1440 2.0290 0.3669 0.2809 0.7138 0.7868 0.1911 0.2181 0.6152 0.4000 1.2635 1.1822 0.2936 0.2917
Dexpanthenol 0.9409 0.6738 0.6749 0.4687 0.7272 0.7508 4.4173 1.8843 0.6434 1.2207 1.1340 0.8368 1.0040 1.2428 0.9792 0.4868 0.8811 0.8086 0.8974 0.9845 0.8064 0.6016 0.7498 0.7506 0.9422 0.8565 1.6377 0.9699 1.0030 2.4145 0.6487 0.5740 1.1364 0.5262 0.7019 0.7921 0.4896 0.6077 0.9374 1.0043 0.9397 1.2222 1.4661 0.9231 0.8555 0.8595 0.6082 1.9514 0.6049 0.6866 1.0482 1.0469 0.4059 0.9548 0.5496 0.6345 1.4330 0.5789 0.8882 0.6991 0.9134
Diethanolamine 0.7585 0.9126 1.0192 1.0988 0.7759 1.3954 0.6701 0.7847 0.8234 0.9087 0.9094 0.8037 0.7632 0.7249 0.9477 0.9202 0.9596 1.1746 0.8051 0.8385 1.2129 0.9470 0.8767 1.3443 1.3428 1.2643 1.0890 0.7543 0.8994 1.7054 1.2760 0.9150 0.9677 1.2022 1.0079 1.1967 0.8792 0.9468 0.7948 1.3658 0.8698 0.8453 1.0825 0.7264 1.0760 0.9004 0.6566 0.7648 1.6884 0.7999 1.0300 1.2498 0.8833 0.9580 0.9452 0.8152 1.0958 0.9529 1.1520 0.9052 1.2798
DMSO 1.0069 1.3642 0.1643 1.3886 0.9479 0.7938 0.8939 1.7566 0.0243 0.4175 0.8102 0.8616 1.1306 2.6370 0.0244 0.3241 0.7985 0.7634 1.1007 2.1106 0.0271 0.3303 0.7823 0.8133 0.9137 1.1193 0.0235 2.8509 0.8169 0.8076 0.8745 1.0584 0.1417 1.6655 0.8643 0.7650 0.9969 1.6485 3.0440 2.6309 0.9519 0.8105 0.8530 1.1334 2.5750 0.0252 0.3203 0.5516 0.9997 0.9031 1.0746 0.0264 1.4452 0.9056 0.8172 0.8939 1.2900 0.0239 2.5970 0.7956 1.1193
Dopamine 7.2471 14.3485 0.4940 6.7461 6.5063 15.4571 0.1585 0.1637 0.1641 0.1945 0.1427 0.2091 0.1393 0.2440 0.2318 0.2060 0.2164 0.2451 0.1667 0.1927 0.1788 0.1736 0.1938 0.2226 0.2063 0.2473 0.1268 0.2667 0.1330 0.2231 0.1837 0.1907 0.2718 0.1615 0.2220 0.1672 0.2297 0.2552 0.1436 0.1865 0.2193 0.2307 0.5673 0.2172 0.3322 0.1986 0.2198 0.2417 0.4554 0.1792 0.3157 0.1933 0.2223 0.1465 0.2657 0.1507 0.2371 0.1717 0.2545 0.2412 0.2669
ectoine 0.5181 1.2004 0.8851 0.8215 0.6626 0.6686 0.7078 2.3045 0.9710 1.3423 0.7240 0.8134 0.7057 1.2155 0.6559 0.9958 0.9116 0.6067 0.7715 5.2035 0.8838 0.7842 1.0088 0.7669 0.7160 0.8985 1.2431 0.9326 0.6973 0.7564 0.6238 1.7378 1.0503 0.9047 0.7027 0.6791 0.6912 1.7233 1.0412 0.8141 0.6763 0.7948 0.9623 0.8266 1.0802 0.8537 0.9631 0.9222 1.5134 0.6017 0.8279 0.8921 1.0395 1.0164 0.6979 0.5705 1.5669 0.8622 1.4512 0.6893 1.0057
Epigallocatechin 1.2950 0.9730 1.3558 0.4996 1.0064 0.6443 1.6649 0.9603 1.7795 1.0166 1.6281 1.5405 1.5900 0.9983 1.5199 0.9063 1.2425 1.3494 1.5781 0.8382 1.6144 0.5982 1.2152 1.2830 1.1626 0.7826 1.1863 0.4315 0.9009 0.8416 0.6499 0.5230 0.8751 0.3272 0.3363 0.3207 0.9769 0.7559 0.9655 0.5748 0.6280 1.0255 1.2008 1.6852 1.0823 1.6401 1.2327 1.7518 1.1802 0.6379 0.5477 0.9041 0.3347 0.5091 0.4460 1.0319 0.6385 1.1811 0.3562 0.8134 0.6362
Ergothioneine 0.9661 0.8658 0.2772 0.2650 0.6900 1.2268 2.6208 2.8666 0.6893 0.6439 2.2578 3.1506 0.7839 0.7886 0.2204 0.1901 0.6676 0.9803 0.5987 0.6938 0.1780 0.1248 0.5006 0.7922 1.3909 1.3681 0.5145 0.4227 0.9875 1.4950 1.6483 1.8697 0.4958 0.4408 1.0976 1.6900 1.3277 1.5071 0.5292 0.5751 1.1423 1.6393 1.0308 0.8120 1.0942 0.2696 0.2512 0.8109 1.1042 1.3486 1.5998 0.4513 0.3945 1.1361 1.5568 1.2016 1.4675 0.4696 0.3432 0.9031 1.4476
Erythro-Sphinganine 0.7932 0.8811 0.9394 2.7571 0.6570 0.7633 0.7320 0.8017 0.9243 1.3077 0.6310 0.7720 0.8579 0.9664 0.8956 1.2370 0.7676 0.8929 0.7756 0.9477 0.9792 1.6085 0.7986 0.8481 0.7300 0.8932 0.9594 1.6713 0.7285 0.8972 0.6432 0.8217 0.9114 1.9863 0.6171 0.7969 0.7367 0.8383 1.0086 1.7142 0.7515 0.8388 1.2066 0.7691 0.8508 0.8466 1.1743 0.8234 0.8116 0.6574 0.7344 0.8739 2.6631 0.6166 0.7632 0.8751 0.8100 1.0101 2.1516 0.6811 0.7494
Erythro-Sphinganine-1-phosphate 0.9022 0.8877 0.5124 0.3480 0.5830 0.6704 1.2359 0.4409 0.3495 0.5344 0.6502 0.7529 0.1732 0.1009 0.0319 0.0523 0.1084 0.0962 0.3957 0.3371 0.1877 0.3340 0.1375 0.3581 0.6305 0.5272 0.1972 0.2539 0.4253 0.2518 2.8868 2.3326 2.4153 3.1130 1.5998 1.4889 1.5466 1.1829 0.4883 1.4364 1.0170 0.9640 1.2351 0.1175 0.1731 0.0339 0.0292 0.1946 0.1362 2.8301 2.4767 3.1073 3.4267 1.7952 1.4728 1.9749 2.1160 1.3530 2.1268 1.3497 1.1432
Erythro-Sphingosine-1-phosphate 0.9846 1.1552 0.2355 0.1788 0.9688 1.5889 1.2070 0.6410 0.1473 0.2490 1.0685 1.1662 0.2424 0.1384 0.0226 0.0479 0.3164 0.2730 0.5065 0.5472 0.0718 0.1301 0.4323 0.7778 0.8542 0.8312 0.0943 0.1631 0.8189 0.7713 2.6590 2.4706 0.8983 1.3575 2.1343 2.1842 1.6068 1.5306 0.2566 0.8230 1.3012 1.5191 1.2222 0.1721 0.2431 0.0178 0.0336 0.4177 0.4344 2.4668 2.5845 1.0734 1.3199 2.4395 2.3452 2.0162 2.3117 0.4950 0.9669 2.0294 2.1229
Ethyldiethanolamine 1.1673 0.7916 0.7357 0.7507 0.9218 1.0272 1.3753 0.5722 0.7497 0.5245 0.6231 0.6411 0.8867 1.3621 0.8339 0.7434 1.0092 0.6364 1.0518 1.8699 0.8816 0.8254 0.8978 0.8091 1.3875 0.7796 0.8729 0.4885 0.8011 0.8152 0.7549 0.7661 0.9764 0.5601 1.2990 1.0348 0.8818 0.6826 0.8849 0.5611 0.6301 0.7163 2.1719 0.7811 1.7367 0.8345 0.6113 2.9642 0.7701 0.8807 0.7884 0.7802 0.5899 0.9491 0.6512 0.9693 0.6438 1.1406 0.6377 0.9518 0.7333
.gamma.-Aminobutyric acid 1.3600 0.6063 0.7219 0.9100 0.9716 0.9424 0.8200 0.5096 0.4862 0.6279 0.7269 0.6595 0.7750 0.5800 0.6711 0.6363 0.7414 0.6530 0.7702 0.5988 0.6934 0.5758 0.6937 0.5991 1.6840 1.2506 1.4516 1.4949 1.4766 1.4720 0.6655 0.5967 0.6126 0.5765 0.5320 0.6061 1.3520 1.1957 1.3869 1.3793 1.2419 1.2981 1.0054 2.1312 1.9519 1.6687 1.6250 2.3271 2.1506 0.7204 0.8294 0.5497 0.6426 0.6978 0.7292 1.1993 1.1214 1.1067 0.9692 0.9937 0.9551
gamma-Aminobutyric Acid (GABA) 1.3043 0.6186 0.7031 0.9665 0.9633 0.9691 0.8839 0.5409 0.5068 0.6901 0.7677 0.6869 0.8211 0.6127 0.6959 0.6703 0.7470 0.6894 0.7853 0.6236 0.7226 0.6020 0.6806 0.6098 1.5939 1.2080 1.4438 1.4975 1.4071 1.4512 0.6579 0.6076 0.6230 0.5914 0.5370 0.6347 1.3114 1.1449 1.3473 1.3946 1.2082 1.2891 0.9819 2.0524 1.9184 1.6480 1.6563 2.2934 2.1288 0.7172 0.8421 0.5571 0.6840 0.7113 0.7481 1.1902 1.1456 1.0717 0.9808 0.9741 0.9631
gamma-Glutamylglutamine isomer B 0.9614 0.6307 0.7162 1.1775 0.6386 0.5625 1.3038 0.7656 0.9402 1.2225 1.1500 0.7428 1.3764 0.8929 1.2433 1.5677 1.2164 0.9854 1.1455 0.7540 1.0693 1.4147 0.9148 0.6249 1.2425 0.8339 1.0030 1.1662 0.8648 0.7223 1.3565 0.9618 1.3406 1.2267 0.8048 0.8568 1.0883 0.9626 1.1038 1.3210 1.3319 0.7773 1.0610 1.0024 0.7106 0.7920 1.4403 0.9388 0.7754 1.1604 0.6978 1.0533 1.1278 1.0231 0.6676 1.0559 0.7230 0.9443 1.1136 0.8135 0.6660
gamma-Glutamylleucine 0.7618 0.5939 0.8579 0.9802 0.6324 0.7135 1.8907 1.6323 2.3136 3.0640 1.8574 1.8989 0.5181 0.4814 0.6452 0.6963 0.4788 0.5083 0.5027 0.4928 0.7214 0.6991 0.4463 0.4753 0.7491 0.6100 0.9114 1.0415 0.6231 0.6816 0.8702 0.7973 1.2827 1.4550 0.6605 0.8129 0.7746 0.7125 1.3058 1.4253 0.6788 0.6503 1.0364 1.4441 1.4403 1.4002 1.6085 1.5396 1.5268 0.7801 0.7918 1.2905 1.3880 0.7551 0.6734 0.7381 0.7244 1.3011 1.2904 0.6011 0.6155
Gln-Ala 1.3394 0.0997 0.3878 2.8174 0.2822 0.1407 0.7018 0.1075 0.3889 3.0009 0.4271 0.2722 1.9314 0.5212 0.7703 2.1880 0.9227 0.4330 1.1002 0.3696 0.6610 2.3957 0.8501 0.0878 1.6506 0.1925 0.8514 5.5427 0.7387 0.2121 1.5343 0.5613 1.4056 2.1067 0.6141 0.6332 0.6774 0.3326 0.5941 2.4573 1.0554 0.2110 1.2290 0.4579 0.1087 0.2970 2.3366 0.5051 0.1287 1.2463 0.3610 0.7336 2.3833 1.0611 0.2588 0.5237 0.1774 0.3256 3.6158 0.5002 0.2381
Gln-Arg 1.4971 0.2328 0.3946 0.3510 0.4859 0.3463 0.4223 0.1098 0.4761 0.1062 0.4574 0.1062 1.2857 0.0904 0.2101 0.2227 0.7867 0.2469 0.5388 0.1087 0.4515 0.1503 1.0713 0.0813 2.0822 0.3227 0.4657 1.1577 1.2275 0.4479 2.7818 1.0258 4.4513 0.7640 0.8599 0.6740 1.1165 0.3134 2.2083 1.1439 3.2826 0.6233 1.2557 0.6998 0.1048 0.1292 0.2274 0.6261 0.1244 4.8115 0.4650 2.9363 0.8133 4.7313 0.3982 1.5647 0.4308 2.4056 1.0380 1.2839 0.7205
Gln-Gln 1.7020 0.5642 1.2059 0.7202 1.1859 0.5912 1.8200 0.6882 1.5497 0.9304 1.4934 0.8547 1.7886 0.8320 1.7230 0.8296 1.3036 1.0891 1.3564 0.5648 1.4603 0.7501 0.9566 0.5711 1.4797 0.4955 1.7111 1.2293 1.0086 0.5998 1.1629 0.4932 1.1066 0.5829 0.6100 0.5885 1.0878 0.4254 1.4089 0.8910 1.2020 0.5592 1.0478 1.7379 0.7602 1.9190 1.3432 1.4497 0.7791 1.0296 0.3156 0.8676 0.6902 0.7538 0.3390 1.3145 0.4712 0.9046 0.7712 0.6643 0.4709
Gln-Gly 0.7321 0.1813 0.6156 0.2743 0.4991 0.1485 0.6839 0.0623 0.8563 0.7262 0.5510 0.1803 2.2277 1.1854 1.1151 0.7735 1.2614 0.6433 0.9790 0.5279 1.4904 0.8023 1.5443 0.3012 1.4871 0.1627 1.1637 1.6579 0.9296 0.2844 2.4466 1.1530 4.3991 1.0541 1.6320 1.2177 0.8679 0.3178 2.8637 1.3335 2.0727 0.3252 1.0319 0.5983 0.1780 0.2703 0.6442 0.5303 0.1651 2.0305 0.6099 2.5648 0.9481 2.2030 0.3583 0.7360 0.2203 2.4757 0.7446 0.4690 0.3586
Gln-Thr 1.3343 0.2210 0.2023 1.2985 0.1552 0.0897 2.1590 0.5227 0.8992 1.7900 0.9243 0.6104 2.2294 0.5961 0.4832 0.5438 0.9726 0.4264 0.7549 0.3309 0.6666 0.6456 0.8840 0.1866 3.0756 0.2206 0.6274 7.0016 0.9862 0.3223 2.5607 0.5789 1.8391 1.6392 0.8132 0.7134 0.7986 0.1100 0.6807 1.1024 2.5008 0.4898 0.8439 0.6507 0.0897 0.1346 0.5468 0.7652 0.1420 2.1263 0.2944 1.0385 1.8535 1.2147 0.2717 1.0779 0.1351 0.5259 4.2363 0.4359 0.2737
Glutamic acid isomer A 1.0667 1.0761 0.9423 1.0813 0.8212 0.9384 1.3515 1.2841 0.9663 1.2826 1.1574 1.3377 1.5031 1.3784 1.1475 1.3820 1.3178 1.3888 1.3416 1.2887 1.1279 1.2214 1.1781 1.1487 0.9771 0.8387 0.7372 1.0084 0.7347 0.8206 0.8626 0.8008 0.7055 0.8853 0.6347 0.7621 0.9137 0.9297 0.7239 1.0042 0.7566 0.8061 1.0419 0.8928 0.9880 0.7372 0.9665 0.8451 0.9147 0.8726 0.8825 0.7912 0.9189 0.7246 0.7154 1.0332 1.0514 0.9391 1.0802 0.8489 0.9517
Glutamic acid isomer B 1.0032 1.0471 0.8474 0.8224 0.7068 0.9350 2.5247 1.2649 0.9759 1.2374 1.3534 1.2171 1.3164 1.1198 0.9321 1.1991 1.1203 1.1625 1.4054 1.1943 0.9767 1.0090 1.1496 1.0922 0.9805 0.8240 1.6941 0.7242 0.7773 0.8196 0.8595 0.7500 1.0084 0.6392 0.6894 0.9840 1.0239 0.9203 1.0039 0.7941 0.7445 0.8594 0.9930 1.1681 0.9382 0.7109 0.8483 0.8290 0.8798 0.8368 0.7702 0.8469 0.6548 0.6646 1.6374 1.1493 1.0167 0.8962 0.8824 0.7686 0.8287
Glutamic acid isomer C 1.1194 0.9527 0.8553 1.1158 0.7260 0.9396 1.4982 1.4009 0.9386 1.3579 1.2532 1.3718 1.5071 1.3157 1.0903 1.4572 1.2648 1.2829 1.4631 1.3973 1.0868 1.1751 1.2514 1.0854 1.0164 0.8650 0.7341 1.0289 0.7422 0.8417 0.7999 0.7756 0.6774 0.9607 0.5410 0.7217 0.9477 0.9869 0.7172 1.0565 0.6593 0.8205 1.0232 1.0836 1.0148 0.7523 0.9622 0.8670 0.8890 0.7810 0.8310 0.7325 1.0007 0.6720 0.6585 1.0845 1.0821 0.9289 1.1746 0.7258 0.8414
Glutamine 1.2268 0.9421 1.3315 1.1165 1.1701 0.9631 1.1979 0.8363 1.1922 1.1499 1.0360 0.9741 1.3492 0.9718 1.5011 1.4273 1.1539 1.0651 1.2172 0.8824 1.4942 1.1762 1.0692 0.9269 0.8830 0.6176 1.3009 1.0150 0.7673 0.6821 0.8897 0.6627 0.9833 0.8116 0.6520 0.8098 0.8440 0.5701 1.4300 1.0243 0.7708 0.7057 0.9710 1.2472 0.8880 1.6952 1.4889 1.0863 0.8946 0.8480 0.6114 0.9611 0.7744 0.7235 0.6209 0.9945 0.6818 1.3229 0.9792 0.7869 0.7530
Glutamine isomer 1.2927 1.0047 1.0035 0.9776 1.0864 1.1341 1.3100 1.0790 1.0720 1.0733 1.1727 1.1888 1.2592 1.1229 1.1523 1.0867 1.1994 1.2059 1.1615 0.9701 1.0911 0.9641 1.0419 0.9422 1.1819 0.8831 1.2009 1.1500 0.9030 0.9962 0.7910 0.7346 0.7847 0.8165 0.5799 0.8046 0.9543 0.7932 1.1460 1.0998 0.7938 0.8548 1.0147 1.1879 1.1278 1.3147 1.2447 1.1283 1.1081 0.7711 0.7445 0.7629 0.7939 0.6895 0.7116 0.9813 0.8354 0.9720 0.9011 0.7360 0.8534
Glutathione (oxidized) 1.2877 0.9103 1.4678 0.5949 1.1314 0.7105 1.5290 0.9492 1.6125 0.9783 1.5619 1.3277 1.3702 0.8810 1.4469 0.8375 1.2257 1.1229 1.4447 0.8426 1.3727 0.6797 1.1374 1.1600 1.2035 0.8328 1.1059 0.5567 0.9738 0.7844 0.7144 0.5718 0.8773 0.4408 0.5077 0.4279 0.9988 0.8270 0.9847 0.6130 0.7534 1.0359 1.2849 1.6617 1.0593 1.5266 1.1327 1.6247 1.1803 0.6817 0.5977 0.8500 0.4274 0.5945 0.4922 1.0206 0.7164 1.1011 0.4849 0.8530 0.7426
Glutathione (reduced) 1.2516 1.2384 0.5874 1.5374 0.7583 1.4616 1.5063 1.8053 0.6312 1.4682 0.8590 1.0037 1.4497 1.7223 0.7702 1.6312 1.3730 1.2774 1.3762 1.7992 0.6570 1.4815 1.0031 0.7963 0.9790 1.1204 0.4784 1.5758 0.6036 0.9200 0.6320 0.7580 0.4699 1.2302 0.3172 0.7388 0.9944 1.2847 0.4769 1.4268 0.5151 0.5329 0.8454 0.7602 1.5752 0.4075 1.0192 0.7526 1.4512 0.6122 0.8795 0.5106 1.2493 0.4520 0.7144 0.9679 1.3942 0.5048 1.5164 0.5769 0.9486
Gly-Arg 1.1055 0.2085 0.7278 0.6534 0.6904 0.4521 0.9180 0.3219 0.7399 0.2779 0.6331 0.4828 1.2130 0.2124 0.6983 0.5411 0.6932 0.5518 0.8453 0.2562 0.8143 0.2839 0.6422 0.1913 1.3331 0.5184 1.3949 2.0355 0.7761 0.4447 1.7381 0.3977 2.9873 1.5725 0.9802 1.1067 1.1849 0.6160 2.8183 0.9607 1.3773 0.7547 1.5907 0.8497 0.4589 0.2572 0.3543 1.0057 0.3259 1.8763 0.4566 2.3614 1.5641 1.5327 0.3244 1.0610 0.4580 2.6947 2.5805 1.0891 0.5704
Glycerol tricaprylate 1.1111 0.3455 0.7382 0.6907 2.1798 0.3362 0.9849 0.6345 1.8940 0.4833 1.4223 1.0041 0.5681 1.0542 0.7884 1.3072 1.3686 1.3806 1.3476 1.0983 1.4145 0.8408 1.0101 1.3075 2.7060 0.7235 1.0159 2.3051 1.5712 0.5911 0.5073 0.6571 0.8297 0.5889 0.8676 1.0074 1.2540 1.1844 1.2586 0.6079 0.3315 1.3897 0.5161 1.1181 0.6217 0.6911 1.0705 1.8072 0.5343 1.1593 0.7173 0.2860 0.7938 1.1174 0.7260 1.0779 0.8937 1.9327 0.8508 1.8383 0.5368
Glycerol trilaurate 0.7616 0.5943 1.9089 0.4126 1.4110 0.2819 0.5378 0.3821 0.3331 1.5155 0.7900 0.5181 0.5582 1.4328 0.3287 0.5750 0.2867 1.6022 0.5235 0.6927 0.2443 2.4065 0.1582 1.0515 1.0436 0.7908 0.8112 2.1444 2.5513 0.2528 0.4438 0.4139 1.1898 0.8388 0.8339 0.1803 0.4658 1.0610 0.1566 0.2971 2.2244 0.4585 2.5386 0.4487 0.3279 2.4315 0.4158 1.0989 0.2715 0.5157 0.6998 1.7838 0.3541 2.6322 0.3392 0.4104 1.4247 0.7024 0.5046 1.7828 0.5052
Glycerophosphocholine isomer A 1.1209 1.1499 0.3939 0.7874 0.9568 1.3605 1.2837 1.4703 0.6218 0.8042 1.2662 1.3317 1.0569 1.3104 0.3577 0.4822 1.2457 1.3736 1.0088 1.2185 0.4222 0.5200 1.0633 1.0070 1.6285 1.7650 0.9918 1.1707 1.4157 1.6733 0.6969 0.9762 0.4472 0.8969 0.6164 0.8227 1.3894 1.6633 0.5152 0.9672 1.1221 1.4305 0.8928 1.0495 1.3625 0.4431 0.5213 1.1914 1.4833 0.8244 1.1708 0.4759 0.9045 0.6939 1.1542 1.0035 1.3306 0.3261 0.7855 0.9380 1.0882
Glycerophosphocholine isomer B 1.4902 1.1124 1.1515 1.0253 1.2406 1.0596 0.6044 0.4771 0.5968 0.7240 0.6563 0.6358 1.9818 1.1298 1.2223 1.1803 1.5303 1.4364 1.1535 0.8323 0.8908 0.7129 1.1065 1.0140 1.2114 0.8837 1.2109 1.0360 1.0273 0.8530 1.0289 0.9179 0.9836 1.1169 0.7467 0.8774 0.7429 0.6381 0.9486 1.1369 0.7676 0.7899 1.3755 0.8841 0.5603 0.7969 0.7842 0.8755 0.7051 0.7769 0.7929 0.8879 0.9212 0.7335 0.6928 1.2985 1.1366 1.3717 1.0756 0.9518 0.9476
Glycine 0.6744 0.5231 0.5663 0.5392 0.6371 0.5441 0.7398 0.5608 0.6746 0.7335 0.7402 0.6286 0.6789 0.4765 0.5588 0.5341 0.5872 0.5219 0.6627 0.5036 0.5982 0.4776 0.6493 0.6444 0.8431 0.6721 0.8144 0.7745 0.8383 0.7443 3.0413 2.7339 2.6686 2.7064 2.2381 2.5870 1.1282 0.9750 1.2015 1.3020 1.1586 1.0441 0.9563 0.5469 0.4050 0.6737 0.6379 0.5656 0.4134 1.6510 1.6840 1.7822 1.6842 2.1117 1.4426 0.8017 0.8013 0.9064 0.7050 0.7438 0.7412
Gly-Lys 0.9658 0.1494 0.8353 1.0429 0.2234 0.3825 1.1468 0.3151 1.0904 1.0070 0.7441 0.3323 1.1564 0.2011 0.5680 0.2770 0.4203 0.4738 0.5435 0.1652 0.5319 0.1739 0.3443 0.1305 1.2387 0.2214 0.7446 4.1096 0.7144 0.2382 1.9540 0.4111 3.0643 2.0636 0.6505 1.0211 0.8404 0.3594 3.6068 1.3761 1.4414 0.2734 1.3047 0.6581 0.2458 0.2418 0.1736 0.6143 0.2938 1.9181 0.3305 2.5796 1.8187 2.0108 0.2432 0.9132 0.2721 3.4603 4.1006 0.6979 0.3159
Guanosine 5^-monophosphate 0.7761 0.4314 0.6114 0.7508 0.1782 0.5801 1.7013 1.2368 0.9739 1.3261 1.0667 1.2737 1.6235 1.3190 1.1955 1.5430 1.3450 1.3050 1.6637 1.3320 1.4130 1.4779 1.2540 0.9952 1.4136 0.9770 1.3322 1.2911 0.7270 0.9730 0.5659 0.4702 0.5364 0.9579 0.2177 0.5175 1.1407 1.0215 0.7112 1.2581 0.3308 0.7417 1.0020 0.9062 1.6164 1.1168 1.5970 0.9286 1.3698 0.6812 0.6202 0.7591 0.9970 0.2740 0.5474 1.1805 0.9641 1.2204 1.2547 0.6648 0.7349
Guanylurea 0.9359 0.9653 1.0357 0.9776 0.8728 0.8964 0.9844 1.0113 0.9317 1.0064 0.8566 1.0325 0.9077 0.9115 0.8576 1.0295 0.8905 0.9786 1.0343 1.0440 0.9728 1.0155 0.9804 1.0314 0.9629 1.1261 0.9522 1.0662 0.9378 0.9259 0.8963 1.0586 1.9421 1.0055 0.9776 1.0380 1.0088 1.0551 0.8870 1.0117 1.0269 0.8774 0.9471 0.9745 0.9587 0.9640 0.9460 0.8714 1.5377 0.9692 1.0435 1.1986 1.0113 0.9854 1.0122 0.9589 1.0017 0.8862 1.1045 0.9924 0.9385
Hexanoyl-carnitine 0.4950 2.6583 0.1569 1.9364 0.5318 4.3663 0.4533 2.7676 0.1439 0.2670 0.8172 1.0353 0.9319 3.0357 0.3394 0.7731 0.7894 1.7045 0.3714 2.3721 0.1769 0.7489 0.1589 0.6317 0.3920 2.9058 0.3109 1.4048 0.4242 1.4799 0.0808 0.2387 0.0550 0.5742 0.0856 0.2560 0.1112 2.2137 0.0550 1.1503 0.0550 0.4840 0.7300 1.9380 5.7519 2.1311 1.5283 1.3467 1.6478 0.0550 0.7734 0.0550 0.6054 0.0550 0.9353 0.1593 2.3934 0.0550 0.8614 0.7423 0.4091
Hexose phosphate isomer A 0.1525 0.0568 0.6531 0.0651 0.1574 0.1813 0.3608 0.1197 0.9590 0.1606 0.5147 0.0919 0.5659 0.5632 0.2357 0.0633 0.5807 0.1031 3.1847 1.7126 3.0393 0.9585 3.4852 1.3091 1.3931 0.6724 2.6379 0.5382 2.0590 0.7267 1.5209 1.1795 2.9156 0.6236 1.5210 0.9777 1.0177 0.3455 2.9707 0.6254 1.8980 0.3166 1.1952 1.0265 0.6917 0.5722 0.1918 0.8705 0.4347 1.7786 0.6171 2.7279 0.5497 2.0504 0.5069 0.7800 0.2505 1.7013 0.1375 0.5655 0.3331
Hexose phosphate isomer B 0.1371 0.0389 0.5892 0.0583 0.0544 0.0350 0.1232 0.0467 0.6425 0.0693 0.3613 0.0464 0.3635 0.1771 0.1037 0.0327 0.2239 0.0472 3.6993 1.6972 3.4857 1.3438 4.3265 1.1960 1.4020 0.4073 2.9924 0.7192 1.8824 0.5522 1.7785 0.9634 3.6259 0.7924 1.4250 0.9588 0.7280 0.1531 3.6385 0.9025 1.9283 0.2587 1.1559 0.9947 0.5088 0.3883 0.1622 0.8506 0.2466 1.7827 0.5321 3.0997 0.7909 1.9868 0.3862 0.8285 0.1274 1.8673 0.1272 0.3258 0.1872
Hexose phosphate isomer D 0.8251 0.6906 0.6866 0.5097 0.6585 0.7498 0.8157 0.8685 0.5611 0.3016 0.9841 0.4452 1.1702 1.2869 0.7454 0.5475 1.0069 0.7129 1.6799 1.5152 1.1778 0.8772 1.5508 0.9027 1.5544 1.0367 1.2096 0.9469 1.0369 1.0308 1.5330 1.2567 2.2479 0.7291 1.4068 1.2495 1.2877 1.2080 0.9232 1.0743 1.7249 0.5537 0.8318 0.9185 1.0740 0.6163 0.4547 0.9196 1.2252 1.6354 0.9507 2.1194 0.7299 1.4179 1.1825 1.0550 0.6330 0.6514 0.7365 0.6614 0.6006
H-gamma-glutamyl-glutamine 0.9613 1.1030 0.4958 1.5191 0.8907 1.3432 1.7344 1.6469 1.2024 2.2779 1.2957 3.2713 1.2413 1.0229 0.6666 1.3050 1.0157 1.6762 0.8661 1.0194 0.6000 1.1037 0.8554 1.8193 1.2542 1.5411 0.6619 1.0285 0.9418 1.7275 0.5155 0.7191 0.2805 1.0060 0.3848 0.5531 0.9792 0.9525 0.4825 1.0301 0.5727 1.9621 0.8076 0.6194 0.7332 0.4473 0.7556 0.4658 0.6971 0.5622 0.8670 0.3377 1.0053 0.5523 0.5563 1.0619 1.1858 0.5501 0.8780 0.8108 1.3735
His-Gly 0.9274 0.3392 0.7603 0.3323 0.6678 0.4528 0.3757 0.1591 0.5615 0.3056 0.5363 0.2189 0.6888 0.1949 0.3815 0.2720 0.5612 0.2764 0.4529 0.1965 0.5688 0.2795 0.6798 0.3511 1.2956 0.4832 1.1472 0.5439 1.4241 0.5359 2.3112 1.1452 4.8751 0.8132 1.6681 1.0709 1.0203 0.4810 2.9103 1.1759 3.3310 0.9374 1.0181 0.3934 0.1902 0.2458 0.1387 0.5732 0.2518 2.7032 0.7643 4.0339 0.8167 2.7251 0.6820 1.4800 0.6607 3.2102 0.7584 1.5007 1.0689
His-Pro isomer A 0.5283 0.3563 0.2855 0.2295 0.3054 0.4302 1.0612 0.2521 0.1897 0.2330 0.2521 0.3258 0.3188 0.6489 0.6982 0.1197 0.6670 0.9651 0.3605 0.4497 0.4213 0.2502 0.4258 0.3837 4.8956 6.6177 1.4490 3.5900 3.1642 6.7739 0.7436 0.5108 0.6178 0.5208 0.5388 0.4111 0.5226 0.4563 0.2616 0.4189 0.3502 1.4252 0.9224 0.3098 1.4660 0.3122 0.2426 4.4814 1.3221 0.4025 0.7178 0.4822 0.5253 0.4658 0.6947 0.3253 1.1956 0.3606 2.1954 0.5762 0.8956
His-Pro isomer B 0.5361 0.3489 0.4540 0.1956 0.4609 0.6357 3.2287 0.6915 0.2974 0.1956 0.2673 0.5532 1.1300 0.9092 1.0840 0.1956 1.0452 1.5729 0.5945 0.4320 1.8482 0.1956 0.3560 0.4338 6.0705 1.5026 1.0817 0.1956 0.6417 2.1024 0.3743 0.4988 0.5165 0.1956 0.4190 0.4649 0.4771 0.5766 0.5763 0.1956 0.5722 2.5377 0.1439 0.8519 1.8980 1.3499 0.1956 16.8125 0.5529 0.4745 0.5250 1.2211 0.1956 0.3752 0.3524 0.3593 0.9298 0.3642 0.1956 0.3869 0.6867
Histamine 2.0121 1.4347 0.8712 1.8249 1.3930 1.9301 0.1024 0.3804 0.0539 0.0711 0.2464 0.1535 0.5738 0.8654 0.7113 0.8308 0.6146 0.8694 0.6628 0.5303 0.4216 0.3817 0.3352 0.1806 3.6002 3.4499 4.4358 5.1923 1.6954 2.9134 0.0704 0.1530 0.0591 0.4040 0.1065 0.1607 0.7184 0.9806 0.7449 1.4962 0.3444 0.5803 0.9402 0.2075 0.6544 0.1807 0.2524 2.3389 0.3678 0.4195 0.8639 1.1136 1.0290 0.5139 0.5545 1.1968 1.4908 0.5782 1.1045 1.1484 1.7349
Histidine isomer A 0.8552 0.7133 0.9492 0.8144 0.8278 0.9002 1.1437 1.0410 1.1525 1.2443 1.1115 1.1248 0.8758 0.7224 0.9363 0.8851 0.8506 0.8506 0.8456 0.7610 0.9802 0.8717 0.8239 0.9184 0.9451 0.7647 1.0659 1.0530 0.8250 0.8779 1.1621 1.1007 1.4086 1.3311 1.0125 1.2370 0.9749 0.9255 1.3289 1.2855 1.0199 1.0542 1.0460 0.6890 0.6419 0.8148 0.8313 0.7410 0.6972 1.0586 1.1029 1.4032 1.3234 1.1019 1.0869 1.0181 1.0711 1.3861 1.2336 0.9471 1.0442
Histidine isomer B 1.2460 0.6424 1.3543 0.6666 1.0129 0.7123 1.5906 0.8427 1.4742 1.1025 1.4811 1.0709 1.2680 0.6077 1.3429 1.0377 1.1253 0.8965 1.4731 0.6894 1.5618 0.7283 1.1011 0.9091 1.2973 0.7159 1.3339 0.8712 0.9806 0.7839 0.8310 0.5475 1.2672 0.6150 0.6453 0.5753 0.9232 0.6017 1.4076 0.9886 0.8674 0.7723 1.2284 1.2970 0.7331 1.5393 1.0209 1.3961 0.8825 0.7611 0.5823 1.1037 0.7017 0.7435 0.3977 1.0478 0.7293 1.5549 0.7836 0.8487 0.7435
His-Val 1.0311 0.1758 0.1319 0.2958 0.5006 0.4942 0.7928 0.4127 0.5483 0.5080 0.9702 0.9167 1.3027 0.2846 0.1657 0.3090 1.2569 0.6592 0.5170 0.2202 0.2778 0.1793 0.7845 0.4818 1.3479 0.2892 0.2840 0.8648 1.0647 0.6603 4.6037 2.0096 3.3273 1.4983 2.8166 1.8702 1.1770 1.0397 0.9220 1.1981 3.1631 1.5448 0.9829 0.1380 0.1193 0.0444 0.1036 0.3132 0.2073 2.8731 1.1350 2.1834 1.2562 2.6168 1.2119 0.9720 0.6763 0.7313 0.8202 1.1435 0.6439
Homoarginine 1.0275 0.4851 1.0531 1.0039 0.9794 0.5205 0.9259 0.3402 1.1008 1.1164 0.7231 1.8569 0.8546 0.2836 1.1576 1.1451 0.8196 0.2997 0.9838 0.4319 1.1284 1.1729 0.8215 0.3913 1.2952 0.5367 1.5777 1.6463 1.0841 0.5363 1.3116 0.5679 1.5550 1.2733 1.0180 0.5985 1.2012 0.6653 1.5167 1.6032 1.1121 0.6161 1.1299 1.0583 0.5343 1.1576 1.1589 1.0205 0.5869 1.3087 0.8166 1.4739 1.5165 1.1900 0.5155 1.3374 0.7098 1.5794 1.3937 1.0413 0.5970
Homocysteine 1.0562 0.9190 1.0019 0.9811 1.0971 0.8773 1.6511 1.2928 1.2655 1.1991 1.6386 1.2471 1.2267 0.8486 1.0275 0.9563 1.1153 1.0179 1.1997 1.0708 1.1908 0.9464 1.1995 1.0512 0.9885 0.8939 0.9936 0.7178 0.9676 0.7358 0.9212 0.7846 0.8646 0.8863 0.8179 0.7557 1.1353 0.9364 1.0682 0.9192 1.0280 0.9691 1.0590 0.8429 0.6642 0.8131 0.8002 0.8515 0.7682 0.9805 0.8635 1.0524 0.8885 0.9171 0.8510 1.1355 0.9854 1.0491 0.9237 0.9949 0.8549
Ile-Arg 0.3092 0.1220 0.0574 2.4307 0.2585 0.1422 0.7542 0.2228 0.4819 2.6131 0.3223 0.2629 0.7824 0.1608 0.1754 0.8971 0.3051 0.2024 0.2541 0.2656 0.2729 1.4005 0.4174 0.2301 1.8422 0.2778 0.3079 9.3271 0.6817 0.4355 1.8924 0.4342 1.2113 5.6729 0.8506 0.3958 0.5260 0.1220 0.4094 2.7137 1.3621 0.3721 0.8045 0.2804 0.0710 0.1103 0.9976 0.9536 0.1667 1.7953 0.5489 0.9357 5.3323 0.8499 0.2716 0.7651 0.1079 0.4860 4.6824 0.2339 0.2375
Ile-Pro-Arg 0.7953 0.4560 0.8164 0.1441 1.4427 0.3993 0.1474 0.0147 0.4540 0.0382 0.5932 0.0374 0.4387 0.0303 0.2446 0.0597 0.5198 0.1949 0.2113 0.0929 0.4340 0.0631 0.7932 0.4567 1.0634 0.3778 0.9572 0.3481 1.8356 0.3626 2.3384 1.4593 5.7734 0.5291 2.4783 0.8465 0.9778 0.2349 2.3095 1.0568 4.2250 0.9307 1.0776 0.2331 0.0616 0.0989 0.0252 0.7371 0.2135 2.6148 0.7884 4.2037 0.6269 3.1634 0.4901 1.6498 0.4996 3.1249 0.5580 2.2475 1.2835
Inosine 5^-monophosphate isomer 0.6537 0.3383 0.6017 0.8058 0.1418 0.4363 1.2764 0.7802 0.7459 1.3092 0.9939 1.0271 1.8729 1.1941 1.5374 2.5082 1.3726 1.5935 1.8087 1.0104 2.0185 2.0564 1.2481 0.9802 1.1889 0.7334 1.7706 1.9460 0.5870 0.8867 0.4215 0.3464 0.4530 1.1764 0.1596 0.4327 0.7539 0.6414 0.8232 1.8294 0.2630 0.5689 1.0132 0.7074 0.8243 1.2863 1.9377 0.8698 1.1221 0.4441 0.4286 0.6218 1.2999 0.1757 0.3618 0.9450 0.7629 1.7789 2.0118 0.4824 0.5784
Isoleucine 0.9531 0.8011 1.0686 0.8790 0.9664 0.7518 0.8805 0.7531 1.0347 0.8723 0.9455 0.8126 1.0572 0.8910 1.1549 0.9097 1.0656 0.9403 0.9122 0.8213 1.2691 0.7771 1.0159 0.8538 1.1628 0.8961 1.3114 1.1838 1.1027 0.9352 0.9811 0.8753 1.3590 0.8705 0.9428 0.8790 0.9187 0.8192 1.6317 1.1717 1.1632 0.9139 1.0314 0.9999 0.9613 1.1461 0.9511 1.1881 0.9751 0.9599 0.8058 1.1572 0.9765 1.0118 0.7120 0.9914 0.9539 1.5734 1.0543 0.9863 0.9304
Isovaleryl-carnitine 1.0363 0.9144 1.2587 2.0110 0.7715 1.1238 1.0201 0.9483 0.7904 1.0828 0.6955 0.9807 0.7459 0.5565 0.8335 1.5121 0.5470 0.5910 0.7013 0.7367 0.9506 1.4682 0.4701 0.6944 0.8941 0.8577 0.7958 1.2500 0.5917 0.8048 0.8237 0.9573 1.0270 2.0917 0.5622 1.0857 0.6892 0.7168 0.9390 1.7761 0.4136 0.6063 1.0001 0.7137 1.0673 0.8379 1.1887 0.6641 0.9184 0.7934 1.0102 1.3816 2.4939 0.5050 0.8454 0.9198 1.2790 1.6159 2.9553 0.6498 0.8367
Lacto-N-biose 1.1255 0.9908 0.5909 0.6291 1.0260 0.9786 1.0261 0.6500 0.3789 0.4349 0.9368 0.7974 1.1373 0.9192 0.6903 0.6924 1.1199 0.9567 0.9837 0.8351 0.6412 0.5102 0.8656 0.7438 1.3895 1.0227 0.8349 0.6760 1.1913 1.0852 1.7248 1.5454 1.0636 1.2000 1.3435 1.3864 1.5594 1.4426 1.1580 1.1863 1.4537 1.3580 0.9698 0.6044 0.4976 0.3147 0.3283 0.6790 0.5357 1.5270 1.5428 1.0690 1.1539 1.5259 1.2499 1.4139 1.3119 0.9185 0.8101 1.1819 1.2087
Laminine 1.5629 1.5349 1.3181 1.4483 1.4434 1.3871 0.9141 0.7444 0.6939 0.7778 0.8243 0.7637 1.8386 1.6436 1.5609 1.6829 1.7376 1.7579 1.6519 1.4367 1.3748 1.3074 1.4638 1.3340 0.9522 0.7696 0.9122 1.0222 0.7258 0.7857 0.4945 0.4544 0.5333 0.5836 0.3409 0.4196 0.8161 0.7629 0.8699 0.9177 0.7169 0.7791 1.0393 1.2147 1.0685 1.0193 1.0177 1.2049 1.1119 0.5276 0.5081 0.5318 0.6232 0.4401 0.4547 0.8793 0.8083 0.9635 0.9048 0.7024 0.7584
Lauryl diethanolamide 0.5281 0.4475 0.2443 0.2554 0.1811 0.3023 0.5776 0.2644 0.2292 0.2838 1.7740 0.4648 2.5245 0.8063 0.5340 0.3193 0.3800 9.5267 0.2423 0.3960 0.1616 0.2917 0.3990 4.5577 0.1137 5.3433 0.2002 0.3615 0.3929 5.5178 4.1248 1.7927 0.3523 0.4296 0.5227 0.3137 1.5524 0.2958 0.2300 0.5362 0.5292 0.5918 0.2660 0.3409 0.3919 0.2153 0.1851 0.5281 0.4734 0.1419 2.9825 0.3978 0.1834 0.3649 0.6550 0.2597 4.4811 2.3217 0.2973 0.2331 0.4168
Lauryl diethanolamide isomer 0.8579 0.6628 2.1236 0.7044 0.7383 0.7264 1.5125 0.9324 1.0466 0.6155 0.5942 0.7713 0.9919 0.9331 0.8268 0.8191 8.7865 0.7198 0.8031 0.7731 0.7925 0.7199 0.6295 0.8106 0.7312 0.7902 0.7968 0.5561 0.9849 0.8136 0.8098 0.6744 1.0745 0.5495 0.8479 0.9499 0.6262 0.7166 0.7785 0.8157 1.0962 0.8395 0.7991 0.9497 0.9895 0.9631 0.5746 1.0020 0.7353 0.7959 0.7557 0.8438 0.4818 0.8775 1.1046 0.7035 0.7773 0.8346 1.3997 0.7087 3.1887
Leu-Leu 0.5186 0.2851 0.1207 1.4360 0.1894 0.2330 0.9177 0.7746 0.2866 2.6188 0.7642 0.5091 0.3811 0.4736 0.2062 1.7071 0.5061 0.3966 0.2581 0.5710 0.1775 1.7575 0.1682 0.2278 1.2726 0.3411 0.5273 10.0526 0.4351 0.2663 1.6478 0.8321 0.6318 2.8378 0.7309 0.9952 0.5262 0.6173 0.1765 2.4578 0.5523 0.5614 1.1080 0.3800 0.0832 0.1072 0.6898 1.0976 0.1256 5.1266 0.5875 0.6510 2.9689 0.4006 0.3277 0.3687 0.4868 0.1481 4.6428 0.1854 0.1224
Lidocaine 1.5254 1.0362 0.5702 0.3560 0.9867 0.8216 0.5986 0.7571 0.5005 1.2750 1.2076 0.9744 0.5982 1.3607 0.4519 0.4789 1.4766 1.2023 0.7785 1.1410 0.2823 0.4925 1.0325 1.3716 1.0860 0.5009 0.2991 0.6687 0.6659 0.8197 3.2486 1.6076 0.4217 0.3809 1.3302 0.6442 0.3341 0.6722 0.8337 1.1105 1.0806 0.6760 0.4820 0.8474 1.3605 0.3112 0.6991 1.1717 1.2190 3.8681 0.6984 0.5209 0.3733 1.0874 7.0481 1.2938 0.7309 0.3879 1.1508 0.8724 1.3570
Lys-Ala 0.3381 0.3574 0.7395 1.0683 0.3896 0.3773 0.2757 0.1942 0.7097 0.8910 0.2612 0.2701 0.2840 0.1086 0.2585 0.7680 0.2315 0.1510 0.2576 0.2113 0.4966 0.7930 0.2808 0.3042 0.5536 0.4165 0.9867 1.5425 0.4330 0.3785 1.6475 1.6515 3.6622 3.8164 1.3128 1.5045 0.7048 0.7219 1.7906 1.8313 0.8283 0.7730 1.1528 0.5643 0.4240 0.6551 1.2980 0.6299 0.4378 1.5388 1.4214 3.6329 3.4143 1.4151 1.0952 0.8395 1.0911 2.1510 2.2811 0.9254 0.8295
Lys-Gln 1.1271 0.1215 0.6523 1.0577 0.1215 0.1405 0.7950 0.1215 0.7895 0.4111 0.3621 0.1215 1.1990 0.1899 0.4735 0.5458 0.5650 0.1817 0.3772 0.1553 1.0196 0.5374 0.5070 0.1394 2.7484 0.2805 1.3164 3.5944 1.0917 0.3022 2.1986 0.3583 3.2018 1.7771 0.4140 0.8715 1.5124 0.2861 2.9781 1.3724 2.7584 0.2934 0.9280 0.7911 0.1705 0.3344 0.8570 0.5224 0.1957 3.1372 0.2266 2.2054 1.6594 2.4397 0.2861 0.9663 0.2652 2.9455 3.4763 0.6406 0.1820
Lys-Glu 1.0910 0.2195 0.6771 1.3364 0.3857 0.6251 1.3244 0.5794 0.8196 0.6216 1.1438 0.4225 1.4161 0.3636 0.7223 1.7845 1.0777 0.7429 1.6352 0.3092 1.7230 0.7391 1.1593 0.2397 2.1062 0.3983 1.7079 2.0165 1.5019 0.7394 1.1614 0.4549 1.6974 1.1503 0.5147 0.3721 0.9722 0.4431 2.2759 1.7048 1.4902 0.5895 1.1554 1.2398 0.4021 0.9743 0.9821 1.2706 0.3566 1.1713 0.2477 1.1315 0.8912 0.9621 0.4167 1.2834 0.5433 1.5726 2.1378 0.6049 0.5603
Lys-Ile 0.2496 0.6349 0.2241 3.3283 0.2135 0.0956 0.3146 0.1851 0.4848 1.5828 0.4084 0.4641 0.3599 0.1929 0.4575 3.8980 0.4283 0.3608 0.1899 0.2147 0.8614 3.5754 0.4355 0.2511 1.1132 0.4685 0.2605 10.5271 0.4238 0.1578 0.6758 0.3909 1.1080 3.0000 0.3041 0.4084 0.2480 0.1928 0.6246 1.9681 0.5593 1.1253 0.7931 0.5862 0.1199 0.4718 4.6238 1.1610 0.2859 0.4168 0.3728 0.4101 2.4253 0.3530 0.1684 0.1746 0.4724 0.5906 5.0024 0.2622 0.1956
Lysine 0.9489 0.7367 1.2878 1.1132 0.8993 0.6659 0.6792 0.5327 1.1979 1.0692 0.6864 0.5111 0.9118 0.6962 1.2176 1.1041 0.8831 0.6666 0.9886 0.7427 1.2366 1.0019 0.9276 0.7413 1.1061 0.7681 1.6206 1.6726 0.9567 0.6796 1.0138 0.8147 1.4930 1.3372 0.8324 0.8117 0.8332 0.6591 1.4666 1.3658 0.9308 0.7173 1.0823 1.0051 0.7488 1.2894 1.2596 1.0261 0.8113 1.0253 0.8083 1.4245 1.3548 0.9788 0.6310 1.0418 0.8989 1.6100 1.4371 0.9114 0.7905
Malonyl-carnitine 0.9657 0.8723 0.7962 0.6921 0.9321 0.9587 2.9187 2.2745 1.0726 1.2744 2.6463 2.8443 0.8107 0.5333 0.6009 0.5751 0.7456 0.6049 0.7390 0.6588 0.7293 0.7017 0.7045 0.8892 0.6203 0.4919 0.6296 0.5039 0.5702 0.5705 1.6446 1.3433 0.9668 0.9594 1.3538 1.5488 0.9710 0.8290 0.8731 0.8745 0.9848 1.0411 1.1378 0.4401 0.3657 0.5043 0.4586 0.4782 0.4849 1.3802 1.3112 0.9582 0.8705 1.4315 1.3465 1.0591 0.9962 1.0051 0.9215 1.0004 0.9645
Methacholine cation 1.2162 0.5031 0.5699 0.5222 1.5122 0.7130 1.5529 0.6415 0.5474 0.6029 1.9195 0.9538 1.1876 0.4840 0.5242 0.5437 1.6247 0.6402 1.1692 0.5416 0.6015 0.5478 1.5974 0.7642 1.3323 0.5417 0.6347 0.5968 1.6179 0.7568 1.9332 0.7602 0.8225 0.7833 2.0804 1.1218 1.3069 0.6039 0.7956 0.8824 1.7526 0.8459 1.0807 1.2901 0.6965 0.7353 0.7346 1.9002 0.8067 1.4047 0.7047 0.7879 0.7589 2.0876 0.7976 1.2944 0.7097 0.8764 0.7472 1.7639 0.8402
Methionine 1.2065 0.7394 1.1200 1.0022 0.9779 0.7369 1.1134 0.8369 1.0975 1.0364 1.0228 0.7499 1.2545 0.8806 1.1971 1.0761 1.0712 0.8719 1.1548 0.7858 1.3611 0.9859 1.0424 0.7555 1.2407 0.7841 1.3663 1.1304 1.0889 0.7880 1.1366 0.8386 1.5601 0.8295 0.9061 0.7257 0.9243 0.6842 1.5944 1.0982 1.3225 0.7516 0.9616 1.0478 0.8002 1.1693 1.1760 1.0405 0.7349 1.1160 0.6902 1.3057 0.7966 1.0932 0.5451 1.0504 0.7284 1.5550 0.8972 0.9023 0.7007
Methylhistamine 1.7919 0.8956 1.1750 1.6857 0.9688 1.0008 0.1492 0.2172 0.2327 0.1834 0.2981 0.1618 0.9087 1.0346 0.8687 0.8588 0.9399 1.0491 1.3781 1.0254 1.3232 1.3684 1.0299 0.6901 3.3260 2.4272 4.6545 4.3132 2.0287 2.1664 0.2736 0.2169 0.2846 0.3186 0.2372 0.2586 0.7830 0.6866 1.2431 1.2037 0.5729 0.5573 1.0026 0.4955 0.4774 0.4959 0.4664 0.5862 0.4376 0.6289 0.6430 0.7890 0.7718 0.4413 0.4917 1.1514 0.9596 1.2248 1.3369 1.0007 0.8013
N5-(1-Imino-3-butenyl)-ornithine 1.1083 0.7444 0.3704 0.9543 0.8008 0.8900 1.0745 1.5435 0.3709 0.3860 1.0608 0.7492 1.6337 1.8429 0.4057 0.4065 1.4533 1.2064 1.1965 1.8231 0.2883 0.4425 1.1443 0.6484 1.2161 1.2124 0.3049 1.4124 0.9205 1.3885 1.6719 0.7869 0.3361 0.9434 0.8311 0.8583 0.9833 1.7495 0.9582 1.3860 1.1217 0.6900 1.0276 1.6874 1.7736 0.3090 0.4068 0.9653 0.8184 1.2290 0.9936 0.2950 0.9857 0.8870 1.0088 1.5927 1.0708 0.3032 2.0064 0.7925 1.4175
N6-Isopentenyladenosine 0.5006 0.4516 0.6385 0.1863 0.2722 0.4768 0.4371 0.4421 0.3476 0.6602 0.4806 0.7212 0.5120 0.3562 0.5145 0.4752 0.5933 0.6208 0.4607 0.8568 0.4223 0.5642 0.5783 0.6775 0.3342 0.4439 29.2560 0.1562 0.3283 0.5127 0.4490 0.3590 0.4744 0.1332 0.2787 0.3688 0.5412 0.4709 0.2931 0.4001 0.6058 0.6778 1.4229 0.4678 0.4493 0.4375 0.8218 0.6206 0.6096 0.6889 0.7741 0.5089 0.1527 0.5230 0.3689 0.6820 0.4656 0.3702 0.1058 0.6155 0.8403
N8-Acetylspermidine 0.5589 0.6673 1.2609 1.2399 0.7144 0.7607 0.7158 0.7341 1.1400 1.4536 0.7349 0.9662 0.4821 0.5619 0.8333 0.9321 0.7089 0.7462 0.5769 0.6361 0.9979 1.1861 0.8143 0.9621 0.6017 0.6147 0.9362 1.1980 0.6663 0.7317 0.7047 0.8847 1.6795 1.9560 0.9631 1.1768 0.4475 0.5417 1.3393 1.5937 0.5460 0.6261 1.2823 0.7945 0.9726 1.1200 1.1541 1.1308 1.2560 0.8701 0.9346 2.3997 2.4351 1.0256 0.9857 0.4726 0.6410 1.7171 1.7347 0.5897 0.7271
N-Acetylaspartylglutamic acid 0.5255 0.2617 0.4117 0.4412 0.3001 0.3161 0.9106 0.6515 0.6469 0.7564 0.8175 0.7995 0.4912 0.4431 0.5820 0.5958 0.4317 0.4175 0.4782 0.3913 0.5971 0.4898 0.4159 0.3641 1.2240 0.8896 1.3778 1.2894 0.9672 0.8681 2.2461 1.8394 1.7705 1.8354 1.7009 1.7640 1.6002 1.3444 1.6771 1.7569 1.3334 1.4525 1.0459 0.6104 0.5248 0.8251 0.8142 0.5269 0.4637 1.7656 1.6865 1.6855 1.6881 1.9308 1.3955 1.1151 1.0927 1.3042 1.0691 0.9718 0.8219
N-Acetyl-glucosamine 0.8982 0.6810 1.0609 1.0664 0.6417 0.7231 2.1235 0.9459 1.2466 1.4072 0.9688 0.8677 1.2117 0.9451 1.1746 1.2361 0.9804 0.8878 0.9542 0.8133 1.0935 1.0297 0.8845 0.6816 0.8256 0.7025 6.6533 0.9076 0.6950 0.6120 0.6774 0.6247 0.8665 1.0050 0.4448 0.6181 0.8065 0.6896 1.0203 1.0306 0.6273 0.6596 0.9135 1.1850 1.1569 1.3631 1.4869 1.1432 1.0581 0.6707 0.6318 0.9303 0.9657 0.5146 0.7339 0.7591 0.6929 0.9906 0.9987 0.5992 0.5730
N-Acetyl-lactosamine 0.6914 0.5544 0.8411 1.0259 0.5932 0.5624 0.8057 0.5852 0.9403 1.1605 0.6916 0.5010 0.4356 0.4090 0.6403 0.6609 0.4622 0.4684 0.4766 0.4434 0.7546 0.7256 0.4749 0.4742 0.9820 0.8870 1.1504 1.1131 0.9535 0.9104 2.3286 1.9260 2.7044 2.5366 1.5897 1.7367 1.0976 0.9694 1.4188 1.4202 0.9724 0.9208 0.8845 0.9424 0.8130 1.2928 1.2873 1.0177 0.9360 1.2901 1.2083 1.7509 1.7935 1.1708 1.0794 0.8482 0.7402 1.0834 0.9589 0.7039 0.6792
N-Acetylmethionine 0.8880 0.5157 0.9935 0.8614 0.7902 0.3936 0.9446 0.5591 1.1407 0.9281 0.9501 0.5899 1.4574 1.1126 1.4743 1.1865 1.7345 1.2428 1.3413 0.9270 1.7294 0.9965 1.7336 1.0221 1.2112 0.7030 1.3560 1.0903 1.2202 0.8103 1.1019 0.9132 1.5602 0.8365 0.7383 0.6093 0.6558 0.4251 1.9326 1.0464 1.2872 0.5782 1.0659 1.1288 0.6750 1.1320 0.9541 1.5085 0.9896 0.9749 0.5178 1.1050 0.7696 1.1052 0.3548 0.8127 0.4571 1.5489 0.6818 0.6859 0.6718
(-)-N-Acetylneuraminic acid 2.0060 1.7959 2.1339 1.7297 1.5265 1.5059 0.6356 0.5984 0.5301 0.6332 0.5445 0.5379 2.6079 1.9556 2.3821 1.8073 1.9717 1.9875 1.9093 1.3889 1.7981 1.2805 1.6211 1.3110 1.0710 1.0376 1.3624 1.0856 0.9558 0.7313 0.1436 0.0979 0.2225 0.1892 0.0455 0.2162 0.3031 0.2212 0.6340 0.4142 0.2929 0.2658 1.2029 1.3805 1.0109 1.2290 1.0816 1.2241 1.1325 0.1622 0.1497 0.3065 0.2255 0.1168 0.1063 0.9493 0.8202 1.2948 0.9854 0.6833 0.6137
N-Acetyl-β-mannosamine 0.8613 0.5639 1.1022 1.1369 0.5320 0.6519 2.5616 0.9003 1.2421 1.4780 0.9126 0.8918 1.2168 0.9457 1.2299 1.3295 0.9059 0.8687 0.9068 0.7469 1.0994 0.9512 0.7887 0.5644 0.7096 0.5342 9.5375 0.8360 0.4994 0.4301 0.5157 0.4994 0.9853 1.0065 0.2391 0.4645 0.8038 0.5245 1.0284 0.9758 0.4638 0.5539 0.8743 1.1997 1.2022 1.3643 1.7231 1.1011 1.1075 0.4729 0.4390 0.8644 0.9329 0.3478 1.0002 0.6464 0.5956 0.9371 0.9364 0.3793 0.3983
N.alpha.-Acetyl-lysine 1.0032 0.5353 1.3884 1.5227 0.5984 0.5551 1.7863 1.3051 2.9152 3.3786 1.1875 1.1469 1.1646 0.6492 1.4823 1.7963 0.8414 0.7084 0.9385 0.6654 1.6133 1.6194 0.6684 0.5013 0.8100 0.3958 1.3582 1.3232 0.3495 0.3947 0.4299 0.2667 0.9814 1.1127 0.2414 0.2653 0.4783 0.3542 1.4157 1.4520 0.2927 0.3116 1.1165 1.1753 1.0122 1.9065 2.1437 0.9807 0.9301 0.4537 0.3928 1.1918 1.2790 0.2513 0.2552 0.7110 0.6045 1.5922 1.4912 0.3609 0.4662
N-Cyclohexylformamide 0.8362 0.9028 0.7697 0.8600 0.8957 0.9970 0.7096 1.0647 1.1213 1.0441 0.9200 0.8621 1.1956 1.0632 1.0268 1.0244 0.9860 1.1959 0.8655 1.1454 0.9895 0.9479 0.7777 0.8413 0.9783 1.3531 1.0054 1.0890 0.8413 1.0514 0.9183 0.9814 0.9523 0.9954 1.0258 1.1930 0.8696 0.8163 1.0547 1.0835 1.1701 0.8833 1.1845 0.9156 0.9884 0.8962 1.0347 0.9533 1.2656 1.3618 0.9429 1.0065 0.9571 0.9915 0.8732 0.7892 1.0722 0.9748 0.8867 0.8618 0.9783
Neoabietic acid 2.4486 0.6247 1.7912 0.4746 1.3193 0.9266 2.0208 0.5240 1.5156 0.4180 1.4872 0.5897 0.8482 0.5619 1.0933 0.3128 1.3434 0.4558 0.9909 0.4447 2.0526 0.3225 3.0995 0.4615 3.3730 0.6222 0.4631 0.3577 3.3171 0.2623 0.9640 0.5619 2.6322 0.5621 0.7546 0.4531 0.6198 0.5895 2.7684 0.3137 1.5230 0.5266 0.2463 1.4943 0.6891 0.9181 0.4339 1.9753 0.3867 1.7752 0.5215 1.2078 0.3269 1.4377 0.3793 1.4536 0.8172 0.5290 0.2433 2.1604 0.3219
N.epsilon.-Methyl-lysine 0.7716 0.7913 0.4792 0.4394 0.9363 0.9797 1.2582 1.3113 0.5520 0.5815 1.4510 1.4594 0.7543 0.7211 0.4028 0.4083 0.8350 0.7894 0.7123 0.7524 0.4167 0.4509 0.7458 0.9293 1.0133 0.9356 0.5932 0.6110 1.0562 1.0547 1.6441 1.7884 0.8465 0.8590 1.7498 1.9889 1.2991 1.3732 0.7941 0.8966 1.4977 1.5856 1.0470 0.6912 0.7488 0.4456 0.4731 0.7701 0.7721 1.4060 1.6394 0.8877 0.9423 1.7684 1.7299 1.2041 1.4651 0.7960 0.7977 1.3357 1.3700
N-Formylmethionine 0.5467 0.2619 0.9585 0.7259 0.3064 0.0998 0.3287 0.2663 0.8236 1.1272 0.5510 0.1784 0.3741 0.4344 0.7770 0.1889 0.3747 0.2562 1.9951 1.4143 1.8919 4.5924 1.2821 0.5031 0.8583 0.4668 1.4563 2.2084 0.8238 0.5394 1.1030 0.6295 1.2309 3.4767 0.6245 1.1088 0.7246 0.6285 1.5843 2.4370 0.8284 0.1892 0.9990 1.4797 0.8956 1.3977 2.1870 1.2711 0.5422 0.7495 0.3985 1.2420 3.2153 0.5808 1.2017 0.5783 0.2794 0.8395 1.3419 0.3462 0.2818
Nicotinamide 1.1089 0.9293 0.9637 0.8790 0.9884 0.7624 1.1922 0.9436 0.9058 0.9116 1.1264 1.0617 1.1566 0.9644 1.0050 0.9054 1.0473 0.8758 1.1675 1.0098 1.0114 0.9125 1.0634 0.9375 1.2035 0.9798 1.0415 1.0065 1.0398 0.9604 1.0679 0.9369 0.9191 0.9419 0.8576 0.9134 1.1346 0.9886 1.0624 1.0889 1.0547 1.0798 0.9749 1.0378 0.9791 0.9342 0.8774 1.1208 1.0082 1.0144 0.9791 0.9826 0.9692 0.9307 0.8921 1.2005 1.0749 1.0933 0.9681 1.0072 0.9521
Nicotinamide riboside cation 1.0792 1.0346 0.6415 0.7855 1.7910 1.0696 0.9898 0.8695 0.6157 0.9607 1.3369 0.8373 0.7814 0.5221 0.6124 0.6949 0.7845 0.6853 0.5462 0.4694 0.4926 0.4551 0.5762 0.5142 1.0821 1.0818 0.5748 0.9098 2.0694 1.2253 0.8979 1.0819 0.5291 0.8773 1.3081 0.9527 1.2232 1.2876 0.7095 0.9129 2.7100 1.7675 0.9905 0.7832 0.5765 0.5525 0.5898 0.7546 0.6886 0.8094 1.1292 0.6153 0.8720 1.6124 1.2430 1.3789 1.5938 0.8759 1.0811 2.9067 1.6392
Nicotine 0.6862 0.9932 0.6945 1.3564 0.5145 1.8514 0.3137 1.1961 0.7280 1.5476 0.8354 0.7810 0.4746 0.7983 0.5873 1.4952 0.7124 0.7588 0.4549 1.3909 0.7038 1.3638 0.9717 1.9124 0.4141 1.8588 0.7680 0.7621 0.3867 3.6342 0.5311 1.1391 0.5983 2.5301 0.5486 1.5730 0.7135 1.7387 0.4822 2.9846 0.8117 0.6688 0.3574 0.7692 1.3056 0.5392 0.5258 0.6206 2.4794 0.6403 1.2933 0.4930 0.9209 0.5348 0.9253 0.5531 1.5523 0.7253 1.2981 0.6620 2.1896
N-Methylalanine isomer A 1.3373 0.6109 0.7159 0.9405 0.9594 0.9536 0.8246 0.5225 0.4852 0.6353 0.7315 0.6651 0.7697 0.5893 0.6713 0.6484 0.7401 0.6612 0.7747 0.5995 0.6984 0.5863 0.6935 0.6060 1.6557 1.2423 1.4278 1.5102 1.4366 1.4829 0.6719 0.5983 0.6172 0.5787 0.5366 0.6138 1.3426 1.1969 1.3597 1.3922 1.2214 1.3099 1.0070 2.0819 1.9578 1.6222 1.6369 2.2856 2.1550 0.7259 0.8421 0.5520 0.6537 0.7060 0.7454 1.1946 1.1422 1.0955 0.9900 0.9924 0.9701
N-Methylanthranilic acid 1.1177 1.0930 0.8016 0.9840 0.8204 0.7248 1.1754 0.9323 1.8347 0.8896 1.1207 0.9771 0.9839 1.4346 2.2291 1.1630 1.0237 1.1755 1.0616 1.3882 1.3259 1.2870 1.1246 1.0588 1.4557 0.7227 0.7377 0.8074 0.7959 0.7708 1.5770 1.3142 1.3007 1.3367 0.8924 0.8321 0.9805 1.1504 0.8181 0.9820 0.6947 0.9734 0.6236 0.8505 1.9671 0.6527 0.6240 0.8250 0.8641 0.8709 0.8570 0.6116 0.7897 0.8842 0.6330 1.1676 0.8474 1.2929 1.0055 0.5859 0.7302
N-Methylglutamic acid 1.2334 0.6165 0.7014 0.9135 0.7195 0.7411 2.3687 2.1786 0.8721 1.0963 2.3778 1.7336 2.1690 1.6326 1.1802 1.4789 1.7018 1.8353 1.1620 0.9457 0.9533 1.0462 0.8881 0.7088 1.2238 0.7967 0.6696 0.7884 0.9076 0.8236 0.8293 0.6652 0.7862 0.8516 0.5186 0.5694 0.7210 0.6147 1.0019 1.2285 0.6090 0.6298 1.0443 1.0029 0.9258 1.2762 1.5831 0.9329 0.8357 0.5331 0.5690 0.6094 0.7106 0.5618 0.4420 0.7520 0.6405 0.9083 0.9187 0.5709 0.5108
N-Methylhistidine 0.9199 1.2787 0.9737 0.9617 0.8884 1.0136 0.9917 1.4696 0.9376 1.0475 0.9856 1.0907 0.9475 1.3413 1.1110 1.0294 0.9986 1.1592 0.9375 1.3141 1.0290 0.9360 0.9192 1.0454 0.9543 1.2390 1.1387 1.0954 0.8534 1.1023 0.7243 1.0343 0.8105 0.7539 0.6376 0.8451 0.7899 1.1195 1.0013 0.9778 0.8025 0.8734 1.0344 0.9793 1.5381 1.3067 1.1836 1.0240 1.1071 0.7048 1.0969 0.7867 0.7744 0.7189 0.7980 0.8498 1.1960 1.0589 0.9953 0.7337 0.8912
N-Methylisoleucine 0.1261 0.1331 0.8799 1.3275 0.1005 0.1565 0.1502 0.1770 2.0064 3.1747 0.1409 0.0974 0.1950 0.2154 1.0329 1.1561 0.0979 0.1089 0.0997 0.1395 1.3939 1.2959 0.1796 0.1121 0.1521 0.0942 5.3492 4.8309 0.1051 0.1145 0.1169 0.1010 4.0851 4.5846 0.1138 0.1327 0.1392 0.1137 2.0446 2.6326 0.1087 0.1118 0.7763 0.1676 0.2047 4.5220 5.8499 0.1261 0.1136 0.1153 0.0998 2.2470 2.7358 0.0994 0.4455 0.1031 0.1873 2.1257 2.3319 0.1201 0.1240
N-Methyllysine 0.8701 0.7457 1.1403 1.0325 0.8581 0.7773 0.9171 0.7395 0.7081 0.7423 0.8985 0.8742 0.6627 0.5067 0.7693 0.8360 0.6172 0.5627 0.6567 0.4990 0.8926 0.8201 0.5851 0.6334 1.0394 0.7743 1.1655 1.1549 0.8505 0.7776 1.3231 1.1889 1.3659 1.4042 1.0567 1.2532 1.2143 1.0607 1.5237 1.4482 1.1395 1.2281 1.0221 0.8584 0.7149 1.0686 0.9455 0.8570 0.8272 1.1635 1.0981 1.4750 1.5229 1.2785 1.0197 1.1903 1.1357 1.7365 1.5251 1.0742 1.0814
N-(Methyl)mercaptoacetamide 0.0486 0.0144 2.1503 1.2850 0.0186 5.6038 0.6560 0.7276 1.9788 2.2771 0.0172 0.0296 0.0961 0.0170 2.2192 2.6023 0.0144 0.0144 0.4231 0.3842 2.0659 2.2662 0.0176 0.0144 0.0410 0.2368 2.0318 1.1478 0.0166 2.7898 0.0519 0.0144 2.2754 1.1948 0.0144 4.0914 0.8014 0.8135 2.0061 0.9485 0.0144 0.0144 1.0474 0.0144 0.0144 2.0506 2.1910 0.0144 0.0171 0.0720 0.1956 2.0990 1.2010 0.0244 4.9530 0.0393 0.1836 2.1208 1.0832 0.0170 0.0202
N-Methylproline 0.4808 0.8206 0.7014 1.6497 0.4254 0.7993 0.5559 0.9282 0.7189 1.0636 0.5646 0.9447 0.6368 1.1558 0.7859 1.1240 0.7664 0.9629 0.6333 1.4090 1.1416 1.2859 0.6584 1.2398 0.7530 1.3120 1.6761 5.6727 0.5832 1.2076 0.4951 0.8346 0.9347 1.5763 0.5895 0.7770 0.4931 0.9400 0.8020 0.9962 0.4929 0.9137 0.8744 0.5170 0.8889 0.6843 1.1159 0.4955 0.7034 0.4416 1.1578 0.8637 4.7588 0.4773 0.9314 0.5088 1.2963 0.7888 1.2595 0.5460 0.7058
N-Methylvaline 1.0453 0.7496 1.0334 0.7563 1.0293 0.7236 0.8125 0.6538 0.9875 0.7397 0.9630 0.7122 1.0476 0.7709 1.0439 0.7666 1.0812 0.8940 0.9000 0.6559 1.2126 0.6590 1.0357 0.7914 1.3140 0.8537 1.3936 1.0283 1.4187 0.9420 1.1865 0.9275 1.7816 0.8061 1.2369 0.9455 0.9096 0.7100 1.6748 0.9733 1.5255 0.8763 1.0024 0.9912 0.8064 1.1298 0.8742 1.1603 0.9227 1.1890 0.7173 1.4049 0.8541 1.3065 0.7545 1.0707 0.7963 1.6191 0.8402 1.0827 0.8989
N,N-Dimethylarginine 0.8462 0.7584 0.9972 0.8769 0.8740 0.7737 1.2669 0.9570 1.9065 1.4026 1.4601 0.9659 0.9464 0.6958 1.1944 0.9988 1.0067 0.8171 0.9381 0.7628 1.4143 0.9643 0.9547 0.7476 1.0028 0.7610 1.2235 1.1302 0.9029 0.7661 0.7539 0.6752 1.0663 0.8654 0.7558 0.7166 0.8512 0.7216 1.2025 1.0302 1.0829 0.8502 0.9874 1.3478 1.1161 1.7898 1.5339 1.5672 1.2725 0.8431 0.7271 0.8824 0.8881 0.9778 0.6654 0.9053 0.8059 1.1241 0.9201 0.9579 0.8554
N,N-Dimethylsphingosine 0.2226 0.5767 0.3717 3.4701 0.3622 1.2283 0.4519 0.6625 0.6807 2.2323 0.2476 0.3099 0.4811 0.6186 0.4599 1.5890 0.3580 0.2099 0.3145 0.2052 0.2190 1.3457 0.1769 0.2058 0.2802 0.4783 0.3996 3.6942 0.2845 0.9715 0.2894 0.4256 0.3592 3.0195 0.2985 0.4392 1.1173 0.9156 0.9473 4.5546 0.5224 0.4964 2.1073 0.0820 0.0989 0.0929 0.0986 0.1843 0.0964 0.3044 0.2513 0.4575 3.9037 0.2115 0.7042 2.4326 0.7364 1.0175 5.8318 0.2964 1.0312
n-Octadecylamine 0.0224 0.0154 3.9981 0.0589 0.0371 0.0572 13.1120 0.0362 0.0079 0.0383 0.0276 0.1346 0.0693 0.0263 0.0535 0.0906 23.6792 0.0264 0.0195 0.0300 0.0895 0.0271 0.0208 4.1168 0.0539 0.1442 0.0271 0.0070 0.0094 0.1830 0.0437 0.0228 0.0215 0.0747 0.1605 0.1601 0.0265 3.0024 0.0450 0.5362 0.0844 0.0105 0.0585 0.0255 0.0365 0.0156 0.0457 0.0358 0.1731 0.0445 0.0131 0.0513 0.0111 0.0508 0.1708 0.0084 0.1055 0.0701 0.0637 0.0549 13.4418
N-Oleoylethanolamine 0.8244 0.5001 0.6990 0.7269 0.6528 0.7397 1.0390 1.2974 0.9882 1.1568 0.9602 0.9720 0.9903 0.9805 1.0447 1.1542 2.1552 1.0927 1.1453 1.2202 1.3541 0.8026 0.6645 0.7745 1.2735 1.0070 1.3620 0.8043 0.7723 1.1635 1.0198 0.5505 0.8632 0.9125 0.8420 1.1713 1.2213 0.6419 1.0578 1.3233 1.3143 0.5040 0.8422 0.9237 0.9533 0.7368 0.9212 1.4081 0.8079 1.4515 1.0010 0.8604 0.7290 0.8495 1.7640 0.9581 1.0281 1.0544 1.1412 0.9471 1.5336
N-omega-Acetylhistamine 0.5194 0.4548 0.5499 0.5723 0.4046 0.5133 0.4375 0.7986 0.2942 0.4374 0.3662 0.5065 0.4420 0.4450 0.4494 0.4713 0.4029 0.4903 0.4971 0.5090 0.4615 0.5019 0.3962 0.5413 0.4753 0.5789 0.6264 0.7816 0.4025 0.4689 0.3706 0.4301 0.3872 0.5397 0.3923 0.3934 0.4249 0.5263 34.1135 0.5635 0.3778 0.5426 0.4650 0.5119 0.4867 0.4548 0.4449 0.5834 0.5066 0.5290 0.5079 0.5008 0.5230 0.3963 0.4410 0.5582 0.4769 0.4940 0.5738 0.3856 0.5090
N-α-Acetyl-ornithine 0.9911 0.8361 1.2945 1.4165 0.8147 0.8137 0.9275 0.7788 1.1962 1.3915 0.8580 0.8160 1.1009 0.9462 1.6053 1.6831 0.9925 0.9845 0.9536 0.8624 1.4021 1.3364 0.8677 0.7690 1.0516 0.8212 1.6961 1.6686 0.8176 0.7819 0.6671 0.5874 1.0033 1.1068 0.5156 0.6025 0.7250 0.6536 1.3198 1.3679 0.6265 0.6112 1.0366 1.0472 0.9925 1.8182 1.8961 1.0466 0.9040 0.6401 0.6354 1.0166 1.0672 0.5344 0.4816 0.8072 0.7268 1.3496 1.3516 0.6260 0.6092
N-α-Methyl-lysine 0.9395 0.8271 0.7098 1.0547 0.7143 0.8469 0.7549 0.7986 0.9930 0.8863 0.7544 3.0468 0.7621 0.7281 0.7967 0.9045 1.0664 0.9080 0.7961 0.6965 1.1607 0.8426 0.7720 0.7418 0.7875 1.0429 1.0500 2.0077 0.9687 0.8758 1.0845 1.0304 1.0551 1.4463 0.8200 0.8414 0.8608 0.9058 0.8660 1.2275 0.7836 1.1041 1.2885 0.8056 0.9153 0.9437 1.1710 0.9770 0.9565 0.6960 0.8996 0.8953 1.7215 0.9009 0.8846 0.8634 0.9193 1.0565 0.9964 0.7908 0.8680
Octanoylcarnitine 0.5879 0.5216 0.3407 0.4489 0.2424 0.6438 1.8255 1.4586 0.7790 0.3799 0.7723 0.5539 3.3740 2.9031 1.7850 0.4771 2.6078 0.9783 0.7631 0.6435 0.5337 0.2190 0.7031 0.4052 0.2323 0.3729 0.1912 0.2298 0.2719 0.2056 0.2771 0.4494 0.1573 0.2795 0.3713 0.2726 0.3263 0.2861 0.3023 0.2494 0.3013 0.3447 0.8843 8.0666 3.5299 6.9034 1.5125 6.3693 1.3634 0.2921 0.3125 0.2344 0.2873 0.2016 0.2010 0.2628 0.5674 0.3151 0.3538 0.5440 0.2072
Oleamide isomer 0.8069 0.7310 2.1432 0.2177 0.3156 0.7309 0.4478 0.3656 3.6737 0.3919 0.1347 0.2555 0.4780 0.2524 0.6744 0.2575 1.6946 0.5496 0.4773 0.8998 1.9218 0.7150 0.3147 2.8946 0.5005 0.2227 10.3618 1.8460 0.6213 0.6904 0.9638 2.6389 0.7581 0.3545 0.4269 0.1200 0.6240 0.1065 1.3882 0.4509 0.8950 0.8005 0.4558 0.9981 0.2495 0.9349 0.1794 0.5675 0.4969 0.3776 0.4372 0.5062 7.3842 0.4188 0.5299 0.4005 1.6036 0.4860 1.0264 0.5965 0.4815
Oleoyl ethylamide 0.4241 0.2135 0.5574 0.1606 0.9695 0.4499 0.7566 0.9008 0.6164 0.2638 1.7750 1.0204 1.1062 0.6220 1.3844 0.2182 1.2326 0.8709 9.4256 0.5142 0.7461 0.2545 0.3455 0.5689 2.1142 1.2892 3.5379 0.4772 5.5157 0.3050 0.4361 0.3765 0.6933 0.1155 0.2560 0.5960 0.5646 0.2680 2.3298 0.5218 0.7110 0.9604 0.8699 0.8166 0.6179 0.4923 0.6562 0.3649 1.4084 0.9185 0.3494 0.9622 0.2755 0.5765 1.1008 1.7098 0.4083 0.5792 0.2760 2.4788 0.2097
O,O-Diethyl phosphate 2.0369 0.5622 2.0954 0.8964 1.3208 0.3010 1.6856 0.2133 1.9397 0.6567 1.3491 0.5296 1.5162 0.6754 2.0265 0.5995 1.4199 0.7627 1.2587 0.2840 1.2321 0.7294 1.4043 0.1474 1.2217 0.6585 1.2885 0.9072 1.5401 0.4757 1.8013 1.2782 1.9030 0.3670 1.2783 0.6469 0.9130 0.8867 1.1642 0.5480 1.5753 1.0046 0.2256 1.3869 0.4287 1.8459 0.6615 1.5076 0.5217 1.5546 0.8269 1.7150 0.6341 1.3098 0.6277 1.5499 0.5743 1.1023 0.7296 1.5414 0.3498
o-Phosphocolamine 1.7953 1.4394 1.4635 1.5725 1.6376 1.4077 0.5657 0.4243 0.6849 0.7293 0.5377 0.4260 1.7885 1.3738 1.6134 1.7561 1.4661 1.4492 1.2280 1.0074 1.1869 1.0056 1.0383 0.8234 1.5775 1.0547 1.4415 1.3761 1.1889 1.0703 0.6197 0.5016 0.6481 0.6614 0.4101 0.4252 0.9493 0.8199 1.1128 1.0949 0.7547 0.7209 1.0268 1.0057 0.8171 1.0528 0.9815 1.0255 0.8393 0.7091 0.6008 0.6998 0.7125 0.5633 0.4788 1.0921 0.7915 1.1486 0.9444 0.7994 0.7525
Ornithine 0.7206 0.7562 1.4677 1.8946 0.7251 0.7116 0.6049 0.5970 1.0861 0.9342 0.7025 0.6063 0.6819 0.6891 1.1238 0.9949 0.7156 0.6749 0.8576 0.8144 1.0951 0.9437 0.7602 0.8306 0.9148 0.8278 1.3629 1.7276 0.7886 0.7610 0.7335 0.8351 1.2995 2.0142 0.7235 0.7943 0.6506 0.6398 1.1799 1.3520 0.6081 0.6890 1.1631 1.0701 1.0070 1.4340 1.3991 1.2285 1.1051 0.7296 0.7760 1.2097 1.9109 0.7447 0.6548 0.7324 0.7945 1.2437 2.7896 0.6784 0.7652
Orthanilic acid 0.2506 0.0753 1.1946 0.4954 0.2341 0.0739 0.3495 0.1330 1.6125 1.7151 0.8125 0.1094 0.1798 0.0550 0.3173 0.0507 0.0564 0.0303 0.9993 0.4097 1.7868 1.6504 1.0577 0.2367 0.7344 0.7260 2.1966 1.9609 1.4414 1.0042 0.6501 0.7377 1.2630 1.9307 0.9105 1.3571 0.8689 0.4711 2.1061 1.6334 1.3578 0.2162 2.0582 1.4461 0.6808 2.1425 2.3589 1.5158 0.7019 0.6994 0.4950 1.3347 1.6408 0.5799 0.8350 0.4250 0.1989 1.7691 1.5376 0.4355 0.3275
Palmitamide isomer A 0.8828 0.8756 0.5624 0.7942 0.7833 0.9664 0.8840 0.7233 0.8392 0.5166 0.6233 0.6594 1.1070 0.8889 0.6383 0.6540 0.8360 0.7158 0.9328 1.0374 0.4691 0.6546 0.7289 0.5924 0.7461 1.0145 0.7310 0.4595 1.0048 0.8099 0.7732 0.8419 0.8339 0.4750 1.9771 0.8725 0.5183 0.6318 0.6774 1.6756 2.0700 0.7401 0.7040 4.4811 3.1202 0.7393 0.4660 1.1601 1.1400 0.7467 0.5788 0.6441 0.6549 1.0673 2.3743 1.0796 0.7322 0.7552 4.6499 0.7609 1.1482
Palmitamide isomer B 0.0413 0.1499 4.0383 0.4339 0.0550 0.1032 8.9646 0.2772 0.0531 0.1913 0.0380 0.3745 0.0284 0.4905 0.0973 0.1095 22.8881 0.1221 0.0266 0.3833 0.1266 0.3678 0.0286 5.6768 0.0335 0.1290 0.0344 0.2202 0.0556 0.2263 0.0636 0.1062 0.0247 0.5334 0.0900 0.6073 0.0334 1.8845 0.0335 0.9019 0.1247 0.1873 0.1252 0.0363 0.4935 0.0398 0.1998 0.0381 0.2206 0.0576 0.1618 0.0691 0.1854 0.0542 0.2585 0.0403 0.4726 0.0651 0.2510 0.0460 11.4378
Palmitoyl ethanolamide 0.5992 0.8167 0.6995 1.0347 0.8530 0.7446 0.8485 0.3864 0.6773 0.8701 0.5332 0.6390 0.5382 0.8144 0.4197 0.6126 0.8377 0.6302 0.3953 0.5361 0.2248 0.5750 0.3346 0.8557 0.5770 0.6272 0.4753 0.8195 0.5867 0.9236 1.1812 0.9883 0.6281 1.0767 1.1190 1.7094 0.6207 0.4588 0.4392 0.8747 1.0702 0.8806 0.3315 0.2036 0.5913 0.2858 0.6731 1.2548 0.6507 0.9512 0.8960 0.7842 1.1138 1.3307 4.3003 1.0438 1.9465 0.7104 13.6616 1.0102 1.4853
Palmitoyl-rac-glycerol 0.2315 0.2332 1.3354 0.5037 0.0720 0.0684 0.4098 0.1411 1.9674 0.5961 0.1295 0.0575 0.1099 0.0575 0.1956 0.0923 0.0575 0.0575 0.0776 0.0982 0.4443 0.4527 0.0575 0.0575 0.1016 0.0901 0.6427 0.6781 0.0575 0.1141 3.2088 2.3867 6.2614 5.0984 1.1900 1.1706 0.4371 0.2337 2.7278 2.4497 0.0943 0.0750 0.3701 0.0575 0.0865 0.0720 0.0709 0.0575 0.0575 2.7973 1.9275 7.1892 6.5734 0.6657 0.4213 1.0242 0.9426 3.1349 3.4136 0.0924 0.1229
Pantothenic acid 1.1713 0.5880 0.6039 0.6445 1.2447 0.7901 2.2076 1.1718 0.6379 0.6453 2.6520 1.7266 0.9522 0.6154 0.5317 0.4899 1.2259 0.7619 0.8762 0.5535 0.5604 0.4311 1.0188 0.5372 1.4734 0.7275 0.9127 0.7858 1.5432 0.9245 0.8468 0.5432 0.6162 0.5530 0.8973 0.6350 0.9307 0.5375 0.6999 0.6808 1.1094 0.6227 1.0634 2.6579 1.7854 1.7376 1.6666 3.8889 2.3086 0.8089 0.5388 0.5244 0.5152 0.9735 0.5969 0.8801 0.5662 0.5382 0.4725 0.9378 0.6004
Pantothenic acid isomer A 1.1564 0.6143 0.5851 0.6535 1.2637 0.7934 2.0443 1.2250 0.6305 0.6583 2.5814 1.7967 0.9288 0.6598 0.5277 0.5033 1.2078 0.8056 0.8757 0.5736 0.5480 0.4359 1.0172 0.5584 1.4431 0.7860 0.9219 0.7951 1.5706 0.9365 0.8074 0.5495 0.5856 0.5437 0.9110 0.6338 0.9164 0.5567 0.6449 0.6559 1.1171 0.6717 1.0478 2.5908 1.8613 1.7390 1.8634 3.6001 2.3999 0.7856 0.5578 0.4917 0.5015 0.9596 0.6193 0.8749 0.5741 0.5279 0.4757 0.9925 0.6482
Pantothenic acid isomer B 1.2009 0.5932 0.5484 0.6534 1.2743 0.7626 2.1516 1.1768 0.6168 0.6712 2.7173 1.7821 0.9176 0.6086 0.5371 0.4703 1.1894 0.7617 0.8812 0.5270 0.5090 0.4372 1.0130 0.5233 1.4800 0.7222 0.9147 0.8268 1.5625 0.9429 0.8464 0.5405 0.6246 0.5714 0.9037 0.6195 0.9154 0.5292 0.7050 0.6560 1.0856 0.6334 1.0797 2.6377 1.8533 1.7636 1.7340 3.9473 2.3387 0.7688 0.5158 0.4707 0.5044 0.9928 0.5475 0.8851 0.5245 0.5078 0.4941 0.9153 0.5866
Phe-Arg 0.7054 0.1329 0.3421 2.0647 0.2426 0.2598 0.4282 0.1545 0.3324 0.6945 0.4776 0.2583 0.4736 0.1174 0.2477 0.4975 0.1846 0.1155 0.1948 0.1627 0.2255 0.3043 0.2113 0.2051 1.0279 0.1516 0.3094 4.2778 0.6536 0.1275 2.9215 0.7110 8.5453 1.3967 3.4866 0.6070 0.8781 0.2429 0.8430 1.5520 2.2350 0.2949 0.5485 0.2466 0.1298 0.1529 0.3723 1.2473 0.0932 3.2826 0.5915 5.0200 0.9867 3.7548 0.6607 0.8632 0.3132 1.4800 2.0747 1.1175 0.6319
Phe-Lys 0.4844 0.0869 0.1128 0.6314 0.1653 0.3338 0.5281 0.1751 0.5969 2.0372 0.4661 0.3097 0.7833 0.1789 0.0792 0.6561 0.3266 0.1722 0.1170 0.1289 0.1039 0.4644 0.1661 0.1454 1.6152 0.2514 0.1769 2.5867 0.5088 0.2734 2.6396 1.6993 3.2015 4.4641 1.5430 2.0711 1.7433 1.2905 0.5047 2.9652 2.1570 0.8045 0.8984 0.1015 0.0787 0.0585 0.4096 0.3027 0.0954 2.5074 1.0670 2.0891 4.4153 2.0218 0.8708 0.9026 0.5579 0.4884 3.1186 1.1775 0.5117
Phencyclidine 0.7474 0.8599 0.7087 0.7085 0.9541 0.9163 0.6366 1.0271 0.9810 1.0717 0.8378 0.7054 1.1365 1.0059 1.0604 0.9782 0.9207 1.2531 0.6566 1.1666 0.9118 0.9332 0.6114 0.8139 0.8971 1.5106 0.9434 0.9961 0.7513 1.1240 0.7061 0.8415 0.8485 1.0816 0.9042 1.1205 0.7363 0.6985 0.9700 1.0475 1.0685 0.7872 1.9672 0.8414 0.9332 0.7215 0.9425 0.8444 1.3021 1.4168 0.9415 0.8150 0.9032 0.9368 0.7557 0.6880 1.0237 0.8194 0.7841 0.8403 0.8979
Phenethylamine 1.2394 0.8283 0.9324 0.8125 1.1254 0.7923 1.7496 0.7406 0.8617 0.7462 1.1017 0.8092 3.1198 0.8311 0.8733 0.7673 1.1219 0.8544 2.0581 0.7946 0.8780 0.7549 1.0334 0.7914 1.2146 0.7510 0.9024 0.7695 0.9636 0.8062 1.1297 0.7995 0.8270 0.7619 1.0454 0.7914 1.8488 0.8359 0.9060 0.8139 1.0742 0.8703 1.0292 2.2139 0.7309 0.8635 0.7521 0.8805 0.7484 1.1507 0.8017 0.9058 0.7715 1.0107 0.7912 1.1980 0.7619 0.9321 0.8030 0.9995 0.8061
Phenylacetylglycine 0.7371 1.5848 0.7855 1.4728 0.7034 0.9514 0.9841 2.2574 0.9160 1.5615 0.6855 1.3331 0.9163 1.1705 0.9173 1.6790 0.6752 1.3232 0.8924 1.1726 0.7881 1.2831 0.7793 1.1173 0.6511 1.0740 0.8025 1.3330 0.5739 1.2863 0.5089 1.0832 0.7219 1.3209 0.3970 1.0715 0.6435 1.2225 0.8510 1.2224 0.6623 1.2833 0.9267 0.6523 1.2168 0.6407 1.5273 0.6012 1.2219 0.8831 0.9433 0.6986 1.3354 0.5319 1.0294 0.6922 1.0701 1.0121 1.2846 0.5225 1.1161
Phosphocholine 1.3933 1.1775 1.4298 1.2509 1.3101 1.0409 1.1189 0.9106 1.1069 1.2983 1.0256 0.8510 1.1990 0.9084 1.1779 1.1473 1.0169 0.9720 1.1692 0.9468 1.2995 1.0905 1.1336 1.0356 1.1788 0.8184 1.2141 1.1535 0.9868 0.8906 0.8881 0.7080 0.8897 0.7582 0.6354 0.7283 0.9249 0.7096 1.0704 0.9426 0.8424 0.7124 1.0062 1.0811 0.9175 1.2844 1.3462 1.0131 0.8545 0.8734 0.7552 0.8380 0.8048 0.8277 0.6641 1.0136 0.7892 1.2523 0.9900 0.8316 0.7686
Phosphocholine isomer 2.5199 2.0725 3.2538 2.6500 2.5901 1.4226 1.4741 0.6866 1.4434 1.1462 1.1209 0.7026 1.3750 0.6180 1.5184 1.3267 0.8958 0.7497 1.7744 0.9518 2.3042 1.0097 1.7701 0.8952 1.2460 0.5540 1.6282 0.6940 0.8651 0.5464 0.4040 0.2848 0.4133 0.3812 0.2233 0.3306 0.5663 0.3183 0.8595 0.6146 0.4276 0.3148 0.9446 1.1707 0.7059 1.9897 1.7877 0.9090 0.5959 0.4588 0.2252 0.4203 0.3269 0.3919 0.2288 0.8302 0.3731 1.4361 0.5755 0.5179 0.3966
Pro-Ala 1.1730 0.4754 0.8609 0.5648 0.2841 0.6369 0.8857 0.4494 0.9508 0.6905 0.4709 0.4995 2.0056 0.8643 0.9878 0.9823 1.1382 0.8314 1.7330 0.8720 1.9688 0.5152 1.7159 0.5170 2.0297 1.1230 1.2653 1.6131 1.2055 1.1650 1.0706 0.7827 1.4304 0.8888 0.4852 0.8261 1.2019 0.6953 2.7953 0.9564 1.2553 0.6845 1.0642 1.2807 0.5665 0.5624 0.4316 0.8229 0.6461 1.3215 0.6471 0.8089 0.7738 1.3914 0.5743 1.1274 0.7339 2.2768 0.8340 0.6396 0.6849
Pro-Asn 1.6974 0.6159 0.7969 0.8239 0.4872 0.9038 0.9668 0.4734 0.7795 0.7225 0.6118 0.6315 2.1718 1.2672 1.1361 1.1622 1.1892 1.1193 1.9275 1.2580 1.6025 0.9945 1.5983 0.8025 1.5871 0.7172 1.7272 1.7510 0.8098 0.7244 0.8445 0.4976 1.2096 0.9795 0.4118 0.4181 1.0870 0.5163 2.2829 1.3498 0.8501 0.5833 1.0672 1.3651 0.7667 0.5203 0.5212 0.9296 0.7139 0.9152 0.5007 0.8989 0.8789 0.8508 0.3095 1.2604 0.7975 1.7754 1.2307 0.6181 0.7158
Pro-Gln 1.6811 0.6605 1.0525 0.9266 0.6721 0.9897 0.7613 0.4294 0.9006 0.6530 0.5568 0.5150 1.4058 0.6998 1.0371 0.7833 0.8876 0.8368 1.4721 0.8057 1.8154 0.7335 1.5149 0.7731 1.3064 0.7140 1.6460 1.0188 1.0430 0.6749 1.0531 0.6783 1.9959 0.7607 0.5347 0.8471 0.8928 0.4809 3.2330 1.0105 1.2738 0.6383 1.2273 1.1822 0.5358 0.6446 0.5300 0.8533 0.5571 1.1920 0.5508 1.2317 0.6523 1.0897 0.4100 1.1070 0.6040 3.1768 0.7824 0.6930 0.6763
Prolinamide isomer A 0.3846 0.8038 1.0483 1.4808 1.0107 1.1865 0.4357 1.1074 0.7881 1.1543 0.5519 1.0549 0.5088 0.9498 0.8983 1.0861 0.7153 0.8362 0.4572 1.0227 0.6642 1.0371 0.5956 1.6592 0.6323 1.3088 1.1171 0.9882 0.3887 0.8548 0.3519 0.8559 0.4900 1.2301 0.4399 0.9830 0.3401 0.9003 0.7610 1.2983 0.4599 0.9529 1.0142 0.5706 1.2477 0.7593 0.9208 2.0886 1.3157 0.4171 0.9860 0.6429 0.8560 0.5435 0.7817 0.4771 1.0690 0.9340 9.0307 0.5478 0.9478
Prolinamide isomer B 0.7246 0.7799 1.4659 2.1404 0.6109 0.7870 0.4833 0.6750 1.0469 0.9825 0.7005 0.6049 0.6759 0.6740 1.1019 0.9743 0.7113 0.6260 0.8360 0.9168 1.1108 0.8586 0.6272 0.8821 0.9119 0.8231 1.3869 1.8608 0.7170 0.7952 0.6769 0.7258 1.3887 2.1444 0.6345 0.8109 0.6071 0.6565 1.1971 1.5613 0.5591 0.6381 1.1903 0.9278 0.8948 1.3815 1.2276 1.1762 0.9292 0.6997 0.8393 1.3676 2.1895 0.5847 0.7021 0.6544 0.7698 1.2755 3.0138 0.5162 0.7830
Proline 0.8886 0.6879 1.2671 1.0906 0.8123 0.6815 0.9373 0.6645 1.2342 1.2344 0.8992 0.7886 1.1020 0.8620 1.3701 1.3165 0.9783 0.9324 0.9172 0.7125 1.3436 0.9749 0.9061 0.7411 0.9753 0.6930 1.3130 1.2200 0.8874 0.7949 0.7794 0.6497 1.3280 0.8194 0.6918 0.7061 0.7632 0.6235 1.6540 1.1181 0.9102 0.7247 1.0066 1.3831 1.2033 2.2455 2.2207 1.2542 1.0642 0.7933 0.6104 1.0485 0.8511 0.8575 0.5370 0.8833 0.7449 1.6602 1.0428 0.8003 0.7712
Proline betaine 0.6664 0.3087 0.7367 2.0252 0.5643 0.4774 0.5191 0.6084 0.9678 0.9701 0.6425 0.5319 0.3983 0.2663 0.6698 0.6056 0.5144 0.3404 0.3879 0.2851 0.7721 0.6420 0.5350 0.4462 0.9085 0.5323 1.5798 6.4681 0.7823 0.7330 0.9982 0.5169 1.5405 3.2539 0.7429 0.6168 0.4945 0.3359 1.0128 1.8324 0.5854 0.5171 1.3822 0.6649 0.5149 1.5266 1.5998 0.7780 0.6549 0.7127 0.3792 1.1905 5.6196 0.6753 0.5371 0.6849 0.3895 1.0768 1.5060 0.6524 0.5453
Pro-Met 0.9239 0.1637 0.0590 0.0462 0.1760 0.6944 0.6254 0.1522 0.1184 0.1783 0.2497 0.2779 0.7480 0.1065 0.0295 0.0385 0.2481 0.1624 0.2463 0.1108 0.1523 0.0268 0.4253 0.1013 1.8395 0.5181 0.1786 0.2298 0.4191 0.6177 3.9537 1.9205 2.7424 1.9840 1.0170 1.7268 2.3305 1.1276 0.8165 1.2625 1.7947 1.7161 1.0623 0.1752 0.0541 0.0216 0.0216 0.1911 0.0774 5.2895 2.2948 2.4881 1.3713 4.6581 1.9906 1.9951 1.5519 1.2042 0.7823 1.6185 1.6394
Propionylcarnitine 0.4491 0.6857 0.3051 0.5930 0.3397 0.9245 3.1117 3.5821 1.1902 2.1855 2.2265 3.0439 0.5374 0.8311 0.3855 0.8466 0.6039 0.9959 0.5418 0.9222 0.3976 0.6777 0.4217 0.6751 0.9542 1.2261 0.7255 1.2671 0.5478 1.0441 0.7328 1.1617 0.5686 1.8716 0.4813 0.9861 0.8697 1.2438 0.5349 1.3306 0.3102 0.7862 1.0256 0.6126 1.3895 0.9285 1.4431 0.5500 0.9587 0.5701 1.1492 0.5906 1.6551 0.3919 0.8570 0.7025 1.2972 0.7293 1.6962 0.5282 0.7035
Prostaglandin A2 0.7680 1.0837 1.0513 2.4365 0.4273 1.6067 1.4647 0.3706 4.8067 0.6083 0.3664 0.4741 1.6460 1.1301 4.0523 1.2545 0.8784 2.1590 0.3661 0.8946 3.1588 0.8608 0.9315 1.4868 1.0981 2.0114 0.4245 0.9260 0.3722 0.3723 0.6221 0.4085 0.4614 0.3734 1.4624 0.5875 0.3176 0.8588 0.7947 1.3589 0.8194 0.9371 0.3682 0.8454 0.3331 1.7525 0.4749 1.1961 0.5965 0.6338 0.3142 1.2907 1.1009 1.0224 0.5076 0.3871 0.3354 0.7709 1.3317 0.7889 1.0665
P-Toluenesulfonic acid 0.7918 1.1972 0.5770 1.8078 0.7732 1.6828 1.2876 2.1483 0.7160 1.3797 1.0047 1.4135 0.8520 0.9615 0.3281 0.8154 0.7375 0.9255 0.4858 0.5261 0.4410 0.7248 0.5753 0.5818 0.8246 1.0525 0.5275 1.3794 0.5273 0.8705 0.9381 1.2687 0.8030 2.4004 0.9661 1.5679 0.9652 1.1905 0.8608 1.3843 0.5513 1.0045 0.9644 0.4801 0.7008 0.5227 0.9063 0.6246 0.7142 0.8246 1.2981 0.7666 1.8826 0.9454 1.3267 0.8141 1.4290 1.0457 2.2992 0.8540 0.9310
Putrescine 0.5125 0.6766 0.9092 0.9477 0.5452 0.6058 0.5562 0.6403 0.9856 0.9642 0.6102 0.6337 0.5153 0.6945 0.8489 0.9136 0.5942 0.6385 0.5268 0.6311 0.8566 1.0037 0.5961 0.7002 0.5751 0.7251 0.9801 1.2349 0.6269 0.7101 0.9357 1.1803 1.5817 1.9255 1.1354 1.3766 0.6986 0.8280 1.6293 1.9011 0.7810 0.9132 1.1670 1.2005 1.3624 1.4769 1.4860 1.2299 1.4847 0.9737 1.0595 1.7685 2.0172 1.1497 1.1756 0.5786 0.7663 1.4770 1.5647 0.6957 0.8321
Pyridoxamine 0.4851 0.6851 0.3774 0.8247 0.6586 0.4153 0.6636 0.8414 0.2623 1.2160 0.9972 1.1906 0.4285 0.5619 0.6107 1.1939 0.5795 1.4534 0.2558 0.4026 0.3448 0.8902 0.3365 0.8829 0.8734 1.0868 1.0631 2.0813 1.2062 1.1368 0.8349 0.9500 0.5711 2.1282 0.9407 0.7487 1.0407 1.0943 1.0020 2.4404 1.2016 1.8696 1.6822 0.7427 1.3130 0.8188 1.6682 1.1835 1.2497 0.3685 0.9001 0.5756 1.4407 0.5427 0.7803 0.7214 1.0639 0.6667 1.3676 1.2143 1.0580
Pyroglutamic acid isomer 1.2768 1.0013 1.0495 0.9881 1.0893 1.1157 1.3368 1.0477 1.0497 1.0882 1.1437 1.2036 1.3944 1.1478 1.1422 1.1441 1.2739 1.2991 1.2485 1.0305 1.1392 0.9672 1.0764 0.9978 1.1594 0.8631 1.1981 1.1521 0.9196 0.9589 0.7684 0.6490 0.7717 0.7904 0.5538 0.7437 0.9502 0.8037 1.0772 1.0537 0.7834 0.7823 1.0343 1.1902 1.1330 1.2269 1.1713 1.1556 1.1325 0.7743 0.6943 0.7931 0.7502 0.6420 0.6652 0.9868 0.8424 0.9720 0.8943 0.7361 0.8342
S-Adenosyl-homocysteine 1.5659 1.4941 1.7110 1.4878 1.6707 1.2725 0.9435 0.8176 1.1481 0.9986 1.1982 0.9743 0.8258 0.6089 0.9947 0.6653 0.8493 0.8409 0.7759 0.5668 0.9326 0.6094 0.7875 0.6729 1.2797 0.9404 1.6235 1.1433 1.2388 1.0038 1.0132 0.8275 1.0017 0.7979 0.8184 0.7367 0.8146 0.7511 1.2559 1.0277 1.0396 0.7620 1.0073 0.9060 0.7232 1.1866 0.8517 0.9944 0.8142 1.0024 0.8731 1.1083 0.9413 0.9772 0.7392 1.2149 0.8837 1.2752 0.9446 1.0480 0.9905
S-Adenosyl-methionine 0.8529 0.6519 0.8668 0.8143 0.6990 0.7959 1.4728 0.9208 1.0166 0.9601 1.0615 0.7631 1.2025 0.7760 1.1130 1.1138 1.1933 0.8794 1.1286 0.7523 0.9229 0.9242 0.9653 0.7485 0.9846 0.8197 0.8397 0.6761 0.7915 0.6228 1.1674 0.8177 1.0516 1.0561 0.7660 0.7617 1.3049 0.9772 1.0917 1.0854 0.9154 0.8538 0.9347 1.8891 1.4526 1.7280 1.5482 1.8806 1.4848 1.0359 0.8346 1.1273 0.9753 0.9293 0.6353 1.1441 0.9471 1.0852 0.9149 0.9031 0.6406
Ser-Ala 0.8727 0.2558 0.7783 0.5639 0.6147 0.1875 0.3939 0.1486 0.7690 0.6063 0.4518 0.2610 1.7229 0.4888 0.7165 0.7268 1.1143 0.5272 0.9974 0.3982 1.1245 0.6172 1.4024 0.3509 1.4306 0.4747 0.9499 2.9978 1.1152 0.4345 1.9474 0.9204 3.3676 1.2245 1.3037 1.0413 0.8604 0.3624 2.3825 1.1453 1.7416 0.4697 1.2375 0.6245 0.2962 0.1503 0.3177 0.7854 0.2502 1.7331 0.5074 2.3094 1.3234 2.1722 0.5837 0.9001 0.3077 2.5919 2.3986 0.7805 0.4906
Ser-Arg 0.9738 0.1412 0.3757 1.0511 0.3084 0.2735 0.9943 0.2105 0.4863 0.5186 0.5925 0.2425 1.2512 0.1128 0.1451 0.3935 0.5616 0.3253 0.6658 0.1398 0.4770 0.3362 0.7062 0.0849 1.5196 0.3095 0.6675 2.5355 0.8827 0.2927 2.3649 0.7308 3.0722 2.4535 1.1967 0.8888 1.5906 0.4614 1.6342 1.6035 1.8913 0.6490 1.3676 0.6855 0.1457 0.1143 0.2754 0.7570 0.0985 2.7478 0.6192 2.4396 2.2688 2.9005 0.5375 1.3873 0.4863 2.0402 2.8223 1.0317 0.6464
Serine 1.5211 1.2498 1.1987 1.2398 1.3137 1.1041 1.0050 0.7895 0.7509 0.7407 0.9317 0.8283 1.8199 1.5101 1.2923 1.4577 1.6083 1.4054 1.6428 1.3723 1.3404 1.1926 1.5082 1.2239 1.0315 0.7346 0.9340 0.9191 0.8617 0.7298 0.8450 0.6825 0.9878 0.6374 0.7030 0.7126 0.6880 0.5225 1.0710 0.8259 0.8425 0.6168 1.0251 0.8587 0.7612 0.8820 0.9102 0.9649 0.7712 0.8326 0.6428 0.8741 0.6621 0.8335 0.5563 0.9957 0.8930 1.3140 1.0039 0.8713 0.8511
Ser-Lys 0.8637 0.1091 0.1651 0.2691 0.1147 0.1878 0.5841 0.1051 0.3427 0.3498 0.5710 0.2948 0.8560 0.1288 0.1226 0.1398 0.3223 0.1596 0.2534 0.0603 0.1766 0.0715 0.3534 0.1289 1.5681 0.3129 0.2694 0.6692 0.7418 0.3022 3.5177 1.7153 4.3330 2.1467 1.2250 0.8792 1.2758 0.5279 1.6070 1.4706 2.4936 0.9722 1.7782 0.3969 0.1293 0.0738 0.0713 0.2223 0.0873 4.8147 0.9943 2.7288 1.6065 4.3801 0.8670 1.3284 0.3909 1.8769 1.1951 1.3245 0.7655
sn-Glycero-3-phosphocholine 1.1164 1.1355 0.3290 0.7564 0.8984 1.3630 1.3724 1.5776 0.5699 0.8386 1.3280 1.5378 1.0627 1.4448 0.3195 0.4672 1.2354 1.4501 0.9726 1.2478 0.3615 0.5090 0.9660 1.0420 1.6189 1.6616 0.8780 1.2271 1.3137 1.6943 0.6002 0.9126 0.3889 0.9141 0.5101 0.8438 1.3106 1.6072 0.4306 1.0494 0.9566 1.4417 1.0886 0.9797 1.4711 0.4071 0.5914 1.1543 1.5581 0.6780 1.1360 0.4156 0.8846 0.6024 1.1143 0.9410 1.4087 0.2652 0.7612 0.8183 1.0981
Spermidine 0.9212 1.2084 0.9941 1.1685 0.8799 1.1954 0.8574 1.0329 1.0303 1.0566 0.9172 1.1131 0.8510 1.1315 0.9199 1.2160 0.9108 1.0630 0.6986 1.1329 0.8914 1.0243 0.8965 1.0907 0.9350 1.2041 0.8572 0.9745 1.0016 1.0287 1.0562 1.3728 0.9051 1.1796 0.9889 1.1520 0.8665 1.1218 0.9655 1.3408 0.9553 1.1446 0.8666 0.8829 1.0655 0.8875 1.0756 0.8974 1.1610 0.9715 0.9306 0.9165 1.0059 0.8301 1.0039 0.8284 0.9845 0.9239 1.0411 0.9149 1.1107
Stachydrine isomer 0.9488 0.9472 0.5483 0.6083 1.1193 1.2463 1.3309 1.2052 0.5568 0.6137 1.4730 1.4562 0.6693 0.6055 0.3581 0.3604 0.7132 0.7103 0.6290 0.6294 0.3765 0.3525 0.6949 0.8271 1.0288 0.8698 0.5977 0.5663 0.9677 1.0201 1.5647 1.4808 0.7987 0.7976 1.4482 1.6599 1.4472 1.4712 0.8678 0.9234 1.5592 1.6271 1.0770 0.9885 1.0443 0.5825 0.5759 1.2150 1.2972 1.3019 1.4616 0.7554 0.7659 1.5980 1.4781 1.3113 1.3865 0.8235 0.7557 1.2485 1.3392
Stearamide isomer A 0.6045 0.5496 1.4720 0.7589 0.5388 0.8638 1.7262 0.5933 0.7831 0.4274 0.4423 0.4670 0.8928 0.5985 0.5967 0.5333 7.5523 0.5646 0.8613 0.7528 0.4297 0.5244 0.6171 0.8568 0.5010 0.7963 0.5320 0.4523 0.6629 0.6570 0.5352 0.5128 0.7368 0.3953 1.5670 0.6940 0.4294 0.6051 0.4757 1.6132 1.4615 0.5958 0.5447 3.4960 3.2182 0.7626 0.3639 0.8380 0.9146 0.5199 0.4339 0.5728 0.5542 0.7855 3.0162 0.6805 0.5844 0.5562 5.3597 0.5861 1.8608
Stearamide isomer B 0.0182 0.0142 4.5325 0.0181 0.0160 0.0095 10.0358 0.0172 0.0180 0.0136 0.0129 0.1704 0.0128 0.0221 0.0214 0.0154 25.6075 0.0221 0.0162 0.0129 0.0307 0.0128 0.0142 5.7745 0.0179 0.0365 0.0120 0.0173 0.0113 0.0865 0.0268 0.0204 0.0143 0.0247 0.0249 0.0971 0.0191 2.5945 0.0095 1.2959 0.0379 0.0119 0.0079 0.0160 0.0166 0.0121 0.0113 0.0176 0.0138 0.0194 0.0125 0.0316 0.0202 0.0146 0.1784 0.0120 0.0330 0.0227 0.0133 0.0171 13.8246
Stearoyl ethanolamide 0.1159 0.3838 0.0485 0.2884 0.3222 0.5184 0.2623 0.1568 0.6230 0.6053 0.1635 0.1954 0.4279 0.1149 0.0781 0.6530 0.1540 0.3673 0.3895 0.2423 0.5409 0.6018 0.0741 0.2552 0.1232 0.1853 0.4039 0.2657 0.1435 0.9358 0.2498 0.5852 0.1405 0.8106 0.2593 0.6458 0.1939 0.1327 0.0970 0.4538 0.2737 0.2984 0.0211 0.0520 0.1174 0.2742 0.0421 1.8284 0.5597 0.2864 0.2292 0.3822 0.2999 0.4606 1.1238 0.3038 2.3089 0.6751 40.8362 0.2934 1.1632
Sucrose isomer A 1.0725 0.5697 0.3944 0.5837 1.2925 0.3547 0.5453 0.5531 0.5131 3.7008 1.5481 0.7383 0.5070 0.3354 0.6320 0.2807 0.4440 0.5993 0.4968 0.3443 0.5125 0.5533 0.4989 0.4865 0.3576 0.6750 1.4519 2.5325 0.5486 0.9393 1.3439 0.7000 0.6406 0.9928 0.8264 0.9605 0.6874 1.0884 0.4705 0.7340 0.5954 5.8994 1.4555 2.4564 0.4408 0.4453 0.3927 0.5253 1.4951 3.8933 1.1877 0.6013 1.2284 0.9425 0.8346 0.5368 0.5329 0.5966 1.2743 0.8154 0.4655
Sucrose isomer B 0.6564 0.8258 0.8316 0.9794 0.6783 0.5586 0.8375 1.5990 0.7565 0.8180 0.7976 0.7505 0.8486 0.6856 0.9935 0.8125 0.8623 0.9032 0.8132 0.7175 0.9338 0.8195 0.9673 0.8820 0.6956 1.6085 1.0810 1.0003 0.6779 0.7836 0.8443 1.0271 0.9579 1.2703 1.5383 0.7610 0.7192 0.6902 0.8189 0.8854 0.6998 1.7354 1.0387 1.7407 0.9491 1.6140 1.3809 1.4680 1.0480 0.8545 0.8148 4.2256 1.2975 0.9113 0.7512 0.7306 0.6015 0.8836 0.9824 0.7512 0.6736
Sumatriptan 0.2396 0.2793 0.3041 0.3036 0.2847 0.3046 0.3069 0.3530 0.2399 0.2682 0.2934 0.3119 0.3315 0.2843 0.2979 0.5057 0.2527 0.3412 0.2619 0.3602 0.2662 0.2518 0.2894 0.2560 0.3272 0.2208 0.2859 0.2559 0.3179 0.2347 0.2972 0.2659 0.3502 0.2434 0.2538 0.2729 0.2088 0.3299 0.2138 0.3009 0.2859 0.2668 0.5775 6.6959 4.8876 11.2600 14.5991 7.7981 1.3256 0.2616 0.3201 0.2691 0.3854 0.2916 0.3904 0.2138 0.2640 0.3093 0.2891 0.1878 0.2971
Swainsonine 2.8959 0.4072 0.6196 0.3457 0.3939 0.3601 0.4727 2.5252 0.3839 0.2281 0.3429 0.9683 0.4306 0.3046 0.5977 0.2494 0.3947 0.5264 0.3725 0.3294 1.5696 0.3649 0.4296 0.9738 4.7191 0.3207 3.7594 1.5857 0.3625 1.5100 0.7433 0.3854 0.5957 0.2819 0.3720 0.4440 0.3875 0.3351 2.4077 1.9460 0.7030 1.1981 1.4888 1.7137 0.9750 3.0683 0.5402 1.7064 1.1388 1.0447 0.4349 0.7586 0.3722 0.3262 0.6322 1.9495 0.2832 1.5113 0.6332 0.4235 1.4392
Targinine 0.8942 0.6054 1.1571 0.3183 1.3167 0.5220 0.6537 0.2612 1.0311 0.4838 1.1003 0.3955 0.8783 0.3017 0.7148 0.4011 0.8528 0.4666 0.6633 0.3422 1.0333 0.3474 0.9730 0.5911 1.0124 0.4423 0.9771 0.3810 1.3117 0.4865 2.0576 1.1839 2.9107 0.6307 1.9374 1.0146 0.8948 0.4345 2.2117 0.8666 2.5676 0.8007 1.1244 0.7508 0.3361 0.7375 0.4096 1.0672 0.5245 2.2646 0.7341 2.2697 0.6385 2.6323 0.6229 1.4070 0.6205 2.5034 0.4825 1.8166 1.1175
Taurine 1.4221 1.4103 1.4709 1.7504 1.2033 1.4007 1.1370 0.9772 1.0595 1.4300 0.9748 1.1204 1.4067 1.3489 1.3934 1.6519 1.1981 1.4133 1.2525 1.3434 1.3740 1.3990 1.1236 1.2020 0.5653 0.5170 0.5882 0.7260 0.4552 0.5424 0.3679 0.3572 0.4315 0.4953 0.3156 0.4349 0.4663 0.4769 0.6648 0.7620 0.4114 0.5181 0.9617 1.9247 2.1125 2.1098 2.2389 2.0597 2.1414 0.3916 0.4438 0.4592 0.5399 0.3893 0.4089 0.6662 0.7482 0.8800 0.8931 0.5548 0.6754
Thiamine cation 0.9914 0.6129 1.2540 0.8867 0.8227 0.6573 0.9579 0.5560 1.2711 1.0131 1.0609 0.6564 1.2148 0.8816 1.5221 1.1824 1.2375 0.9240 1.0807 0.7921 1.3611 0.9680 1.0107 0.6835 1.4800 1.0024 1.9448 1.4076 1.3084 1.0374 0.9809 0.7439 1.4508 0.9071 0.8141 0.6826 1.0487 0.7681 2.0020 1.2611 1.1182 0.8964 1.0060 1.0626 0.7761 1.3068 0.9912 1.1286 0.7202 0.8133 0.6177 1.0977 0.8450 0.8166 0.5923 0.7953 0.5709 1.3241 0.7963 0.6736 0.5874
Thr-Gln 1.4749 0.1240 0.4154 0.2357 0.3735 0.1374 0.7595 0.1694 0.7716 0.5390 0.9127 0.2879 3.0873 0.6403 0.8214 0.2564 1.8221 0.6086 1.2036 0.3323 0.7340 0.1886 0.7638 0.2748 1.8393 0.1939 0.7317 3.6279 0.8039 0.3106 3.9205 0.8011 3.3852 1.1903 1.4715 1.0966 1.2292 0.2181 1.3554 0.9752 2.5244 0.6275 0.9638 0.5891 0.1647 0.2506 0.0789 0.5901 0.0992 2.0475 0.2593 2.2825 1.4436 1.8226 0.2147 1.4818 0.2272 1.2009 3.0699 1.0151 0.1112
Thr-Pro-Arg 0.1886 0.1367 0.1730 0.0573 0.3883 0.0925 0.1035 0.0573 0.1269 0.0705 0.3215 0.0573 0.1328 0.0573 0.0896 0.0573 0.1499 0.1084 0.0729 0.0670 0.2032 0.0573 0.1494 0.3578 0.8382 0.2333 0.1930 0.4590 1.1406 0.4062 4.2065 3.3682 4.3439 0.3457 4.3421 1.3394 0.4141 0.2307 1.1043 1.1849 5.6180 2.0372 0.9660 0.0573 0.0707 0.0837 0.0573 0.1453 0.0573 4.1483 1.6788 4.0126 0.3410 4.3564 1.6418 1.3947 0.5776 1.2583 0.0710 2.7601 2.3805
Thr-Thr 1.2477 0.1035 0.2022 0.7088 0.1875 0.0661 0.4917 0.0849 0.2599 0.9079 0.8923 0.0661 1.7986 0.2099 0.0850 0.5002 0.5410 0.1912 0.3144 0.1951 0.1953 0.2661 0.4339 0.1474 1.4747 0.2272 0.1427 5.3189 0.6318 0.3264 3.8547 1.3306 2.3935 3.0749 2.7592 1.0055 0.8906 0.3120 0.7460 2.6843 3.0909 0.6169 1.0756 0.1020 0.1241 0.0864 0.1609 0.6163 0.0661 2.2997 0.6220 2.1803 3.0177 3.1855 0.3755 0.7147 0.1557 0.7301 3.0059 0.9268 0.2653
Thymol 0.8328 0.6987 0.9401 1.0514 0.8274 1.8058 1.1071 0.8555 0.7650 1.0006 0.9216 0.6154 1.0770 0.5959 0.8952 1.0201 0.9494 0.8566 1.1192 0.9859 0.8758 0.9491 0.9522 1.2200 0.8563 1.4924 1.0316 0.5009 0.8213 1.9301 1.0739 0.9425 0.8265 1.6906 1.1111 1.1674 1.1814 1.1317 0.6541 1.6597 1.1041 0.6386 0.9491 1.1657 0.8440 1.0385 0.5553 0.8584 2.0365 0.8519 0.7716 0.9399 0.9253 1.0380 0.7510 0.7978 0.9840 0.9805 0.6857 0.8631 1.4414
TMAO 2.7043 0.5934 0.5016 0.6372 0.6402 0.9166 1.3345 0.6995 0.4988 0.6804 0.8054 0.7859 1.2795 0.5917 0.5034 0.6284 0.6895 0.9632 1.0994 0.5137 0.4719 0.5138 0.7034 0.7940 1.2994 0.4932 0.6037 0.7140 0.7087 0.8861 1.2897 0.4280 0.5948 0.7183 0.7349 0.6460 1.1699 0.5220 0.5825 0.9293 0.7215 0.8704 1.0371 2.8590 3.5237 1.3420 1.7284 2.0160 6.2977 1.1922 0.4659 0.5608 0.6438 0.7688 0.6528 1.1055 0.5812 0.5672 0.5964 0.7007 0.7458
trans-Nicotine-1^-oxide isomer A 0.1500 0.9097 0.0460 2.2118 0.1044 4.0564 0.0562 1.6726 0.0622 2.5469 0.0863 0.2632 0.0689 0.2866 0.0795 2.2151 0.1405 1.4138 0.1091 2.3881 0.0650 1.8671 0.1183 3.6110 0.0902 3.0164 0.0497 0.1851 0.0910 5.6761 0.0607 1.7737 0.0867 4.1881 0.0851 2.1855 0.1077 2.4300 0.0700 4.9611 0.1235 0.2448 0.0419 0.0988 1.7570 0.0331 0.1530 0.1229 2.8205 0.1492 1.5490 0.0280 0.9376 0.1224 0.9903 0.0295 2.1292 0.0443 0.6036 0.0332 3.3546
trans-Nicotine-1^-oxide isomer B 0.1042 0.8788 0.0385 2.3109 0.0623 4.2927 0.0434 1.6689 0.0531 2.5878 0.0534 0.2253 0.0345 0.3057 0.0469 2.1439 0.0756 1.4265 0.0663 2.3717 0.0615 1.9829 0.0512 3.5684 0.0620 2.9668 0.0458 0.1364 0.0602 6.0389 0.0543 1.8729 0.0565 4.1710 0.0509 2.3650 0.0793 2.3851 0.0435 4.9963 0.1087 0.2236 0.0573 0.0792 1.7525 0.0360 0.0962 0.0703 2.9141 0.0673 1.4172 0.0323 0.8556 0.0619 0.9320 0.0506 2.2147 0.0341 0.6999 0.0466 3.2994
Tributylamine 1.1947 0.6204 1.3177 1.0330 1.0715 1.0008 1.1969 0.7368 1.1171 0.9510 0.9794 0.7052 1.2701 0.7557 1.4297 1.0489 1.3051 0.9480 1.2349 0.9149 1.0503 1.0269 0.9127 1.0446 1.1296 0.9813 1.2140 0.6171 0.9838 1.2779 1.4955 0.8503 1.1137 1.1206 1.0775 1.0650 1.1355 1.0344 0.8783 1.3919 1.5761 0.6218 0.5270 1.0152 0.7688 1.3070 0.6195 1.1413 1.2306 1.3038 0.6848 1.2100 0.6550 1.2946 0.8137 1.1054 0.9733 0.8826 0.6539 1.1112 1.2226
Triethanolamine 0.7176 0.8902 1.3069 0.7794 0.8174 0.8984 0.8962 1.1986 1.7227 0.7765 1.2702 0.9586 1.0263 0.8255 1.4548 0.7581 1.3556 0.9551 0.9819 0.8839 1.1639 0.7460 1.1303 1.0359 0.7746 0.9668 1.4894 0.6793 0.8716 0.9160 0.7418 0.9785 1.0107 0.7246 0.9855 0.8412 0.7089 0.9962 1.0965 1.0013 1.2071 1.0061 1.0582 0.8145 0.8194 1.5625 0.6988 2.1185 0.8449 0.7194 0.9526 1.5512 0.7331 0.9351 0.8930 0.7951 0.9539 0.9632 0.7590 0.9811 1.0603
Triethyl citrate 0.5146 0.6156 0.5048 1.7983 0.4640 1.3162 0.4325 2.3496 0.8619 1.4019 0.4194 1.1889 0.4818 2.4714 0.5384 1.6374 0.6280 0.6325 0.5763 4.1441 0.8326 1.7878 4.3160 1.1338 0.5404 0.4342 0.6504 1.5612 0.5068 0.6098 0.4687 0.4241 0.4277 1.0937 0.5540 1.5374 0.4081 1.3474 0.5910 0.8325 0.6052 0.4082 0.4304 0.4500 1.9791 0.6470 1.5288 0.4711 0.7786 0.7654 0.4933 0.5956 0.6793 0.8375 0.5447 0.4648 3.2102 0.6856 3.2680 0.6317 0.8396
Tripropylamine 1.3042 0.8269 1.5100 1.0692 0.8762 1.3852 1.0856 0.6727 1.0513 0.9872 1.0925 0.6993 1.1828 0.7364 1.2386 0.9366 1.2689 0.9521 1.1053 1.0290 1.2395 1.1890 0.7743 0.9368 0.9788 1.1247 0.9188 0.6560 1.0050 1.5327 1.6468 0.9782 1.0135 1.0276 1.1259 1.0024 1.2113 0.9134 0.6767 1.2153 1.4226 0.6886 0.5377 1.1785 0.8728 1.2747 0.5370 1.0796 0.9805 1.0771 0.9853 1.2810 0.7718 0.8889 0.7646 1.1530 1.2446 0.8146 0.9090 1.0431 1.2256
Tryptophan isomer 1.0169 0.9079 1.0158 0.8858 1.1197 0.9209 1.0216 0.8818 1.0025 0.8314 1.0953 0.8567 0.9609 0.8878 0.9797 0.9140 1.0913 0.9042 0.9170 0.9007 1.0164 0.9005 1.0573 0.8959 1.0332 0.9241 1.1728 0.9201 1.1360 0.9059 1.0895 1.0029 1.6359 0.9393 1.1496 1.0303 1.0089 0.9168 1.3727 0.9126 1.2498 0.9041 0.8781 0.9524 0.8750 1.0430 0.8735 1.1320 0.8491 1.1011 0.8452 1.3324 0.8804 1.2531 0.9106 1.0696 0.8589 1.4387 0.8873 1.1212 0.9149
Turanose isomer B 0.9406 0.3556 0.1703 0.5090 1.4371 0.1513 0.2542 0.5018 0.2684 5.8476 1.0856 0.5337 0.4857 0.3792 0.4506 0.1044 0.2597 0.8573 0.2796 0.2928 0.2601 0.3752 0.3174 0.3153 0.1455 0.5109 1.2617 5.1808 0.2801 0.6939 0.6805 0.2281 0.1322 0.4631 0.2414 0.4488 0.3149 0.9422 0.1602 0.4592 0.2506 10.2411 1.4280 5.1979 0.4565 0.1680 0.2469 0.3516 2.0540 3.9426 0.6034 0.1919 0.7814 0.4216 0.3850 0.2929 0.3542 0.3088 2.1990 0.4681 0.3152
Tyr-Leu 1.4016 0.3009 0.1718 0.1201 0.5877 0.3363 0.2270 0.1121 0.1750 0.1138 0.3125 0.1960 1.2084 0.2574 0.1393 0.1507 1.1165 0.2385 0.3612 0.2331 0.1478 0.1889 0.4893 0.1730 1.7991 0.1914 0.4501 1.1363 0.8586 0.3056 6.0025 2.0611 4.8316 0.4688 3.4820 1.2654 0.9596 0.3545 0.6199 0.9259 2.8373 0.4045 0.9457 0.2833 0.2403 0.0892 0.1011 1.0106 0.2357 3.8237 1.0702 4.5979 0.7668 3.0876 0.7757 1.6903 0.4990 0.9087 0.8486 1.7871 0.7494
UMP 0.5773 0.4753 0.6168 1.1135 0.0699 0.5306 1.7383 1.6375 0.8907 1.4538 0.9167 1.6267 1.6505 2.0432 1.3368 2.2828 1.2383 1.5530 1.9537 2.0934 1.8814 2.6218 1.3413 1.1026 0.7892 0.6394 0.8044 1.2278 0.3068 0.5733 0.2823 0.3766 0.4218 1.0727 0.1056 0.3811 0.6189 0.7606 0.5247 1.1299 0.1174 0.4451 0.9965 0.8281 2.2063 1.2896 2.0874 0.8977 1.6871 0.3341 0.4383 0.5440 1.0761 0.0926 0.2987 0.7191 0.7114 1.2104 1.5315 0.2875 0.4550
Uridine-5-diphosphoacetylgalactosamine 0.9922 0.7995 1.1870 1.1943 0.7292 0.8061 1.3199 1.0929 1.4151 1.6596 1.0606 1.0116 1.3162 1.0915 1.2617 1.3670 1.0776 1.0653 1.0454 0.9559 1.2353 1.1700 0.9792 0.7721 0.9188 0.7924 1.0969 1.0070 0.7172 0.6816 0.7355 0.7100 0.9497 1.1503 0.4879 0.6812 0.9059 0.7751 1.0248 1.2064 0.6801 0.7239 1.0022 1.2925 1.3288 1.4906 1.7294 1.2719 1.2245 0.7134 0.6699 1.0554 1.0873 0.5810 0.6264 0.8201 0.7750 1.0951 1.1074 0.6333 0.6368
Val-Arg 0.5619 0.1980 0.1936 2.0127 0.1366 0.1175 1.0243 0.6821 0.6673 1.7792 0.9667 0.7052 0.6971 0.2867 0.2103 0.9474 0.2674 0.7156 0.4454 0.2456 0.3446 0.9214 0.2348 0.2369 1.7898 0.3183 0.5489 7.2781 0.5050 0.4849 2.2477 0.7048 1.4151 3.4677 1.0622 0.7202 0.5765 0.5973 0.8816 2.0198 1.4596 1.2330 0.9111 0.3492 0.2682 0.2192 0.4240 2.0431 0.3105 1.4196 0.4765 0.9572 3.6228 1.0763 0.2511 0.6430 0.6098 0.4859 4.5512 0.4719 0.3670
Val-Gln 1.7391 1.2022 1.8066 1.2875 1.1681 1.0680 0.2651 0.1296 0.3183 0.3641 0.1972 0.2091 2.6761 1.5904 2.1635 1.5666 2.1145 2.2277 1.8449 1.0661 1.9816 1.0826 1.8220 1.3325 0.8840 0.2416 1.1944 2.3233 0.5983 0.3156 0.4700 0.1609 0.4612 0.6102 0.1063 0.2369 0.2562 0.1627 0.6860 0.6976 0.2048 0.1875 1.2904 2.1964 1.2816 1.9078 1.6632 2.2910 1.5421 0.2141 0.2380 0.3637 0.3728 0.3085 0.1011 0.7288 0.5099 1.4807 1.5988 0.4020 0.2904
Val-His 1.2748 0.1162 0.4396 0.4558 0.3423 0.1856 1.4269 0.3930 0.7244 0.5313 1.3122 0.4160 1.8385 0.5992 0.8672 0.2300 1.2416 0.4283 0.6314 0.2619 0.6153 0.2694 0.6403 0.1909 3.2561 0.2872 1.0259 2.6317 1.0881 0.4126 3.4347 0.6600 2.6835 1.7291 1.8260 0.9683 1.6513 0.3626 1.7278 0.8403 2.3752 0.5248 0.9257 0.4239 0.1592 0.1933 0.1200 2.5968 0.0961 2.0549 0.4148 1.8286 1.3450 1.8863 0.3240 1.0757 0.3531 1.5910 1.5651 1.0659 0.3699
Xanthine 1.5329 1.4105 1.8054 0.9721 2.0880 0.8046 0.5224 0.1583 0.6013 0.1750 0.7498 0.2715 0.9575 0.4573 1.1949 0.5652 1.0716 0.6430 0.6112 0.3960 0.8898 0.3534 0.9618 0.6627 0.8836 0.5481 0.9465 0.5219 1.1421 0.6411 1.1397 0.7812 1.3173 0.5842 1.1503 0.9060 0.9067 0.5017 1.5534 0.6373 1.5675 0.7674 0.8364 2.9776 1.0107 3.2497 1.2617 4.0709 1.4030 0.9370 0.6553 1.0892 0.5360 1.2804 0.8198 0.9453 0.6332 1.1597 0.4674 1.2013 0.7881
α-Galactosamine-1-phosphate 1.4297 0.9075 1.6052 1.3122 1.2647 0.9042 0.4864 0.2408 0.5398 0.2797 0.5403 0.3421 1.1830 0.7554 1.6213 1.2320 1.2171 0.8673 1.2093 0.8942 1.5031 1.0436 1.2793 0.8309 1.1824 0.7455 1.8611 1.3444 1.2211 0.6631 0.9255 0.6107 1.0204 0.6597 0.8702 0.6932 0.9627 0.6972 1.7519 1.1693 1.1340 0.7758 1.0833 0.7371 0.5152 1.0865 0.6847 0.9657 0.6422 0.9231 0.6240 0.9952 0.7470 0.9497 0.5736 1.4745 1.1409 2.0299 1.3973 1.3265 0.9829
α-Lonone or β-Damascone 0.9214 0.7462 1.1333 0.4498 0.7803 0.7342 0.6868 1.0287 1.2632 1.0521 0.9828 0.7690 1.0606 0.9122 1.1454 0.8156 1.3009 1.2618 0.9848 1.0806 1.6395 0.8729 0.8679 0.7326 1.4730 0.9752 1.6801 0.8219 1.0339 1.0500 0.7755 0.7898 1.0374 0.8518 1.0071 1.0953 0.9974 0.6142 1.2416 1.0547 1.2141 0.7033 0.9504 1.1906 0.8843 0.9497 1.2279 1.3804 1.0037 1.4425 1.0249 1.0267 0.8223 0.7804 0.9432 0.8470 0.9537 1.2940 0.9651 1.1442 0.7347
β-Nicotinamide adenine dinucleotide 1.9393 1.9302 0.6666 1.4577 1.3491 4.5597 2.0693 2.8984 0.5972 0.7849 1.5874 1.4844 2.5226 2.7729 1.1611 2.1299 2.7539 4.8785 0.6596 0.7885 0.4962 0.5062 0.4331 0.4459 0.4803 0.4821 0.3887 0.4560 0.3099 0.4666 0.3330 0.3284 0.2467 0.2307 0.1989 0.2830 0.5949 0.6803 0.4597 0.4047 0.3897 0.5621 0.9038 0.7578 1.7307 0.5536 0.6735 0.8672 1.1535 0.2494 0.3774 0.2825 0.3318 0.3130 0.1799 0.8716 1.2789 0.6392 0.8206 0.6016 0.6425
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Brain region:Basal ganglia | Age:16 weeks | Gender:Female
F2Brain region:Basal ganglia | Age:16 weeks | Gender:Male
F3Brain region:Basal ganglia | Age:3 weeks | Gender:Female
F4Brain region:Basal ganglia | Age:3 weeks | Gender:Male
F5Brain region:Basal ganglia | Age:59 weeks | Gender:Female
F6Brain region:Basal ganglia | Age:59 weeks | Gender:Male
F7Brain region:Cerebellum | Age:16 weeks | Gender:Female
F8Brain region:Cerebellum | Age:16 weeks | Gender:Male
F9Brain region:Cerebellum | Age:3 weeks | Gender:Female
F10Brain region:Cerebellum | Age:3 weeks | Gender:Male
F11Brain region:Cerebellum | Age:59 weeks | Gender:Female
F12Brain region:Cerebellum | Age:59 weeks | Gender:Male
F13Brain region:Cerebral cortex | Age:16 weeks | Gender:Female
F14Brain region:Cerebral cortex | Age:16 weeks | Gender:Male
F15Brain region:Cerebral cortex | Age:3 weeks | Gender:Female
F16Brain region:Cerebral cortex | Age:3 weeks | Gender:Male
F17Brain region:Cerebral cortex | Age:59 weeks | Gender:Female
F18Brain region:Cerebral cortex | Age:59 weeks | Gender:Male
F19Brain region:Hippocampus | Age:16 weeks | Gender:Female
F20Brain region:Hippocampus | Age:16 weeks | Gender:Male
F21Brain region:Hippocampus | Age:3 weeks | Gender:Female
F22Brain region:Hippocampus | Age:3 weeks | Gender:Male
F23Brain region:Hippocampus | Age:59 weeks | Gender:Female
F24Brain region:Hippocampus | Age:59 weeks | Gender:Male
F25Brain region:Hypothalamus | Age:16 weeks | Gender:Female
F26Brain region:Hypothalamus | Age:16 weeks | Gender:Male
F27Brain region:Hypothalamus | Age:3 weeks | Gender:Female
F28Brain region:Hypothalamus | Age:3 weeks | Gender:Male
F29Brain region:Hypothalamus | Age:59 weeks | Gender:Female
F30Brain region:Hypothalamus | Age:59 weeks | Gender:Male
F31Brain region:Medulla | Age:16 weeks | Gender:Female
F32Brain region:Medulla | Age:16 weeks | Gender:Male
F33Brain region:Medulla | Age:3 weeks | Gender:Female
F34Brain region:Medulla | Age:3 weeks | Gender:Male
F35Brain region:Medulla | Age:59 weeks | Gender:Female
F36Brain region:Medulla | Age:59 weeks | Gender:Male
F37Brain region:Midbrain | Age:16 weeks | Gender:Female
F38Brain region:Midbrain | Age:16 weeks | Gender:Male
F39Brain region:Midbrain | Age:3 weeks | Gender:Female
F40Brain region:Midbrain | Age:3 weeks | Gender:Male
F41Brain region:Midbrain | Age:59 weeks | Gender:Female
F42Brain region:Midbrain | Age:59 weeks | Gender:Male
F43Brain region:NA | Age:NA | Gender:NA
F44Brain region:Olfactory bulb | Age:16 weeks | Gender:Female
F45Brain region:Olfactory bulb | Age:16 weeks | Gender:Male
F46Brain region:Olfactory bulb | Age:3 weeks | Gender:Female
F47Brain region:Olfactory bulb | Age:3 weeks | Gender:Male
F48Brain region:Olfactory bulb | Age:59 weeks | Gender:Female
F49Brain region:Olfactory bulb | Age:59 weeks | Gender:Male
F50Brain region:Pons | Age:16 weeks | Gender:Female
F51Brain region:Pons | Age:16 weeks | Gender:Male
F52Brain region:Pons | Age:3 weeks | Gender:Female
F53Brain region:Pons | Age:3 weeks | Gender:Male
F54Brain region:Pons | Age:59 weeks | Gender:Female
F55Brain region:Pons | Age:59 weeks | Gender:Male
F56Brain region:Thalamus | Age:16 weeks | Gender:Female
F57Brain region:Thalamus | Age:16 weeks | Gender:Male
F58Brain region:Thalamus | Age:3 weeks | Gender:Female
F59Brain region:Thalamus | Age:3 weeks | Gender:Male
F60Brain region:Thalamus | Age:59 weeks | Gender:Female
F61Brain region:Thalamus | Age:59 weeks | Gender:Male
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