Data for (Study ST002576)

(Analysis AN005612)

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

MetaboliteF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33F34F35F36F37F38F39F40F41F42F43F44F45F46F47F48F49F50F51F52F53F54F55F56F57F58F59F60F61F62F63F64F65F66F67F68F69F70F71F72F73F74F75F76F77F78F79F80F81F82F83F84F85F86F87F88F89F90F91F92F93F94F95F96F97F98F99F100F101F102F103F104F105F106F107F108F109F110F111F112F113F114F115F116F117F118F119F120F121F122F123F124F125F126F127F128F129F130F131F132F133F134F135F136F137F138F139F140F141F142F143F144F145F146F147F148
1(2H)-Isoquinolinone 0.9659 0.8235 1.0283 0.5503 0.8355 1.2804 1.2347 0.7639 1.0298 0.9382 0.8565 0.7986 0.8338 1.0542 0.7057 1.7558 0.8262 0.4656 0.9164 1.1879 1.3626 1.1824 1.2080 1.0141 0.9038 1.1905 1.3166 0.9913 0.9570 1.4127 1.0901 0.7756 1.0345 0.7707 0.8423 0.6332 1.1739 0.8284 0.8975 0.8726 0.8715 0.7103 1.1610 1.1455 1.2507 0.8971 0.9855 1.2776 1.5450 1.1845 0.8614 0.8759 1.3239 0.9892 1.2052 1.2240 0.7841 0.5342 1.2929 1.1196 1.1175 0.9060 1.0080 0.8538 0.9192 1.0241 1.1384 1.0018 1.1625 1.2210 1.0763 0.8556 1.4917 0.7718 1.0132 1.4626 1.1747 0.9802 1.1337 1.1832 1.1022 1.0132 1.2005 1.6184 1.2435 0.5228 1.3243 1.2067 1.0020 1.4459 1.0189 1.1441 0.9933 0.8423 1.0801 1.0110 1.1559 1.0015 0.9969 1.1089 1.0565 1.3688 1.0502 1.0825 1.2766 1.2409 1.1574 0.9459 0.9287 1.0663 1.1267 0.7019 0.4217 1.0505 1.0259 1.0713 0.8107 1.1453 0.9749 0.9884 1.2347 1.4224 1.1032 1.2260 1.4892 1.0750 1.1490 1.0003 1.0964 1.2520 1.1310 1.0726 1.1634 1.3128 1.3781 1.4055 1.2328 1.4675 1.1028 1.2964 0.9683 1.3968 1.1773 1.2004 1.3005 1.1348 0.8946 0.8310
13E,15E,18Z,20Z-pentacosatetraen-11-ynyl acetate 0.6709 0.8269 0.2756 0.4298 1.1119 0.4930 0.2341 0.2396 0.5820 0.9680 0.5392 0.5550 0.8977 1.1913 4.0566 2.6225 0.7095 1.0367 0.7231 1.1003 1.2219 0.9765 0.5533 0.5094 1.0693 1.9479 1.5772 0.9786 0.9489 1.0714 1.0738 1.0123 0.7803 0.2238 1.8282 0.8781 0.7043 0.5627 0.2950 0.5986 3.1757 4.3004 0.2567 0.5233 0.7137 0.9325 0.4001 0.4976 1.0619 1.1540 1.9609 1.0086 0.9693 0.7093 1.7000 1.7104 1.2093 0.8336 1.3011 1.0178 1.1476 4.4160 0.4713 0.4225 2.2018 1.5165 0.8362 0.9017 0.5727 0.5796 0.3060 0.5084 1.0829 0.7940 0.4251 2.0427 1.2744 1.4252 0.5512 0.4374 1.1672 2.0364 0.9790 10.6801 0.5405 0.8503 0.5810 0.6864 0.6851 0.7955 0.7407 0.5203 1.2880 1.3260 0.5481 0.7981 2.6764 1.0824 0.9709 1.1722 0.6643 1.2808 1.1606 1.2895 0.6394 0.6074 0.9284 0.8494 0.7163 0.6501 0.9685 1.7315 0.7835 0.8693 0.7629 0.7743 0.7377 5.4661 0.8327 0.2772 1.1562 0.5927 0.4238 0.6996 0.4532 0.5009 0.9095 0.6802 0.6690 1.3831 0.7281 0.7412 1.0890 1.3077 0.6027 0.9495 0.9388 0.4703 0.8301 0.4436 0.9168 0.9446 0.6015 0.6943 1.0633 0.6837 0.7590 1.0925
13-keto-9Z-octadecenoic acid 0.6002 0.3733 1.1094 0.6803 0.9025 0.7459 0.4080 0.6052 0.6273 0.0889 0.6434 1.2179 0.3789 1.8886 0.4956 0.8122 0.1039 1.3335 0.4296 1.2031 0.2831 0.3724 1.0295 2.3002 0.7258 2.0620 1.5731 1.4950 0.8599 1.4865 1.0725 0.5656 1.2256 1.3882 0.8766 0.2254 1.3508 0.6111 0.8932 0.8369 0.4975 1.6346 0.4103 0.3349 0.8017 0.6709 1.6573 0.2743 0.3449 0.5803 0.9759 0.6400 1.6031 0.9403 0.7154 0.9559 1.5855 0.7067 0.6314 0.4673 1.9029 0.5722 0.2937 0.5143 0.1176 0.9132 1.3013 2.0839 1.0709 0.7056 1.0954 0.5125 0.3689 0.1916 1.2115 0.9359 1.4996 0.6108 0.1675 1.8034 0.8063 0.7993 2.1101 4.2625 1.0778 1.1029 0.4032 0.4694 0.3087 1.3089 1.2736 0.7227 0.7951 1.3692 0.7379 0.2165 1.0100 0.2181 1.7460 1.5380 1.4795 0.5922 0.8518 1.0392 0.2121 0.8272 0.6181 1.5264 1.9259 0.4147 0.8554 0.6909 0.1081 0.7235 0.5974 0.9135 1.4393 1.4372 1.8892 0.2279 0.4683 1.7089 0.8436 0.8351 0.1231 2.4917 1.4030 2.5363 1.4682 0.7778 1.6374 0.2832 0.4115 2.1666 0.5384 0.7434 0.6303 0.1973 3.6670 1.9283 0.9517 2.4774 3.1249 0.8087 0.2116 2.0379 1.3810 1.2180
1_8-Diazacyclotetradecane-2_9-dione 1.0115 4.9493 0.2953 1.0147 0.1879 1.7316 0.1757 1.0598 2.3155 2.2367 0.4166 0.8895 2.3031 2.9261 9.0862 0.2092 2.4982 2.3422 0.9388 0.6308 0.8704 0.3250 0.4362 0.7773 3.5022 2.0426 0.6704 1.9222 3.5629 0.3633 0.3993 2.7121 0.4143 0.7780 2.4673 0.5656 1.0924 3.2359 0.4974 0.2842 0.2185 0.4963 0.7337 0.7212 1.2207 1.3025 0.6039 0.3279 0.7018 0.1849 1.7581 1.8591 0.1853 1.3015 2.6861 0.6530 2.0069 1.6635 0.2884 0.2007 0.5675 1.5347 0.3749 1.4654 1.0460 0.3006 0.1775 0.2032 0.2298 0.2176 0.2779 0.2863 0.2265 0.3407 0.8667 0.5542 1.7956 1.1179 0.1847 1.1706 0.2700 1.1505 0.3837 1.2143 0.1966 3.8767 0.2837 0.4999 0.3488 0.5375 0.2567 0.2174 5.3340 1.2878 0.2257 3.7257 0.3883 0.1774 0.6425 0.1988 0.1806 2.0823 0.5880 0.2507 0.4609 0.1841 0.3210 0.4223 0.5134 0.2361 0.7258 0.4815 1.9979 0.3822 0.1847 0.3299 0.2247 1.4268 0.2182 0.5024 4.3997 0.2506 0.1925 0.1827 0.1758 0.8658 2.3922 2.1112 0.2333 2.7324 0.5704 1.7145 2.8864 0.5138 0.4301 1.4713 0.2977 1.4420 6.0193 0.2359 0.3066 0.1736 1.5013 3.2931 0.3215 1.2763 0.2483 2.2396
1-Aminocyclohexanecarboxylic Acid1 0.2727 0.2997 0.1841 1.6235 0.2298 0.0906 0.0306 0.0472 0.0890 0.2562 0.8169 2.0653 0.3089 0.0537 1.5430 1.0862 0.0449 0.3051 0.2085 0.9277 2.0297 0.0975 0.1035 1.5064 0.6132 1.1858 0.6322 0.2057 0.2667 0.1318 0.2401 0.6590 0.9948 3.3386 0.3254 0.7800 1.1606 1.5511 0.4214 0.3117 5.3810 1.9229 0.1966 0.1995 2.0176 0.1758 0.5076 0.2634 0.7574 1.0652 0.0921 0.0621 1.8205 0.3779 0.1951 0.9252 0.0995 0.3753 0.1247 0.5799 0.1100 0.7688 0.9127 0.0633 0.0366 0.0904 0.9282 0.5536 0.0228 1.1242 1.0248 3.0970 3.0679 1.2912 3.6364 1.7840 0.1897 0.6761 0.0884 1.4999 0.2483 0.0664 0.0300 1.1602 0.9176 0.0360 0.8337 0.1188 1.6028 0.1156 0.4274 0.0991 0.4210 1.9013 0.0904 0.1235 0.1158 0.1812 1.5653 0.3905 0.6971 0.2899 0.3511 2.7737 1.6773 0.0557 0.0663 0.6181 0.0922 0.4730 0.9826 2.1291 0.0322 0.2261 2.0720 1.9715 2.8541 1.3534 0.1991 1.1234 0.2199 4.3485 0.8208 0.1498 0.5909 0.2763 1.2954 2.3445 4.0479 1.8841 0.2660 0.6506 0.0524 2.2868 1.7987 0.3700 3.2277 2.2656 1.4521 2.2813 2.0936 1.4983 2.7431 1.2812 2.0163 1.2850 1.7968 1.4409
1-Cyclohexyl-2-azetidinecarboxylic acid 0.4325 0.6958 0.8910 0.9701 0.2739 0.2409 0.2140 1.1177 0.2315 0.2037 0.2573 1.6420 0.8390 0.2634 0.2436 12.5334 0.2186 0.2347 0.3628 0.3379 0.2554 0.2296 0.2473 0.3486 0.2381 0.2401 0.5387 0.2768 0.2503 0.2003 0.1984 0.3343 1.0054 0.4833 0.2729 0.1965 1.7417 2.2144 1.5157 1.7485 5.9738 6.4330 0.5659 0.5977 0.2272 0.2191 10.6927 15.4748 0.4003 0.2816 5.3394 2.8791 0.9323 0.8914 0.2678 0.2530 0.2641 0.2228 1.4721 0.7588 0.4038 0.8279 0.3452 0.1496 0.2283 0.1970 0.1792 2.0936 9.0213 9.1066 0.4461 0.2259 0.2265 0.3716 1.5316 1.0168 0.2254 0.2183 0.2025 0.3326 0.3694 0.3576 0.2109 0.6598 0.2087 0.2249 7.4163 0.4975 0.4982 0.2023 0.3459 0.2099 0.8350 0.3133 0.2563 0.2334 1.7309 1.6659 3.0327 0.7914 1.3433 0.2435 0.3717 0.3041 0.1899 0.2277 0.5916 0.4711 2.9003 1.5546 0.2412 2.3942 0.2690 0.5060 0.2126 0.6748 0.5489 0.2550 0.1988 1.3597 0.3147 1.4759 0.3170 0.1977 0.4881 2.3726 0.2322 0.3025 0.2692 1.1862 0.4541 1.4408 0.2051 0.4954 0.2656 0.2200 0.1995 0.3366 0.3080 1.2728 0.2118 1.1233 0.1796 0.2948 0.2262 3.9466 0.2557 0.2933
1-Deoxy-D-glucitol 1.2211 0.8718 1.0809 0.5532 0.8842 0.9888 1.2249 0.5721 1.0911 0.8054 0.9546 0.8225 0.6610 0.9771 0.7432 1.1235 0.6900 0.7789 0.8209 1.2704 1.0511 1.2474 0.9611 0.9617 0.8760 0.7684 1.0134 1.1710 1.0216 1.4628 0.9505 0.8497 0.8185 0.5646 0.9883 0.6840 1.0527 0.6787 1.1300 0.9870 1.1781 1.0634 0.9937 0.8732 1.1865 0.7042 0.9667 0.8330 1.5201 1.0055 1.4274 0.8826 1.0389 0.7464 1.2593 1.2067 0.8901 0.7045 1.6007 1.0081 1.0835 0.7010 0.8210 0.6959 0.8897 0.8859 1.1259 0.8930 0.9725 1.0841 1.0142 0.8412 1.1129 0.6132 0.8406 1.1461 1.0931 0.8494 1.0517 1.1145 1.1481 1.1077 1.3943 1.5193 1.2020 0.7263 1.0381 1.6049 1.0214 1.3957 1.1827 1.0881 1.0569 1.1357 1.1311 1.0133 1.0383 0.8905 1.1896 1.2556 1.1746 1.2525 0.9469 1.2973 1.0024 1.7824 1.3548 1.2778 0.8992 0.8355 0.8983 0.9277 0.4529 0.8188 1.2937 1.3808 1.2990 1.0090 1.1478 1.3781 1.0311 1.5740 1.1197 1.1606 1.1538 1.0192 1.0130 0.8957 0.9851 1.2946 1.0628 0.9646 1.0801 1.3093 1.3252 1.4761 1.3273 1.2211 1.3969 1.4046 1.0254 1.0572 0.9629 1.3476 0.2125 1.1819 1.0565 1.0848
1-Methylxanthine 1.0287 0.4267 1.8896 0.1422 1.5143 1.6194 0.9650 0.2852 0.2056 0.0359 0.2678 0.5699 0.2421 0.0777 1.5335 0.2692 0.0946 2.4345 0.8604 0.7228 1.3675 0.1765 0.5911 0.0374 1.5675 0.2193 0.3319 0.3983 4.0052 0.3788 3.1034 1.5044 0.0471 0.7364 1.9143 0.3781 1.5696 1.1161 1.1474 1.0158 3.7690 3.4010 1.7553 1.6440 0.5000 1.9537 0.4813 0.8848 0.3635 1.0244 1.7598 3.2887 0.9485 1.5045 0.0990 0.7903 2.9395 0.2692 0.7552 1.7925 0.6917 0.3873 1.0626 0.0340 0.3060 1.5103 0.7046 1.6550 0.0457 0.0393 0.7824 0.4275 0.0413 0.3855 0.1242 0.5919 0.6217 1.3916 0.4426 3.9633 1.0796 1.5618 1.8802 0.0395 0.2538 0.4982 0.0466 0.2807 0.5046 2.5300 1.7572 1.3873 1.1830 1.1054 0.9029 1.0994 0.2953 0.5578 0.6835 0.7087 2.3096 7.3734 1.0984 0.5745 4.1661 0.2452 4.1722 1.0074 0.1112 1.1616 0.6404 0.0372 0.3994 0.6373 1.3610 1.5349 1.9467 0.0619 1.7824 0.2228 4.5629 0.3779 1.6853 0.2876 0.0434 1.6808 0.0227 0.1432 0.0246 2.4640 0.3830 0.5284 0.2094 2.2787 0.4100 1.0997 0.3670 0.1960 2.6766 1.0856 0.8652 1.1514 1.3320 1.9420 0.3472 0.8747 0.7707 1.1236
1MVR 1.1218 0.9245 1.1452 0.5976 1.0233 0.8922 0.8488 0.3973 0.9610 0.9578 1.3128 0.8694 0.9206 1.4712 1.0144 0.9111 1.0281 0.8871 1.0611 1.3010 0.9850 1.0904 0.9660 0.9883 0.8158 0.5434 1.4020 1.2862 1.2777 1.6389 1.0223 0.6226 0.8813 0.6713 0.5998 0.7145 0.9344 0.8020 1.3188 0.9304 2.2695 1.2900 1.0472 0.8194 1.6834 1.1034 0.9971 1.4690 1.4718 1.1560 2.7897 1.1442 1.1388 1.0072 1.9061 1.6038 1.0212 0.6120 1.1360 1.2309 0.3783 0.5018 0.8905 0.5340 0.7889 0.5295 0.7431 0.6235 1.1673 1.0129 1.1138 1.1534 1.3791 0.7138 0.8626 1.2659 1.7825 1.1510 1.1281 1.1169 1.2201 0.8515 0.9749 1.1639 0.4052 0.8884 1.1414 1.0687 0.7835 1.3441 0.6470 1.0590 0.5281 0.6408 1.0986 1.1082 0.9374 0.8150 0.9469 1.1328 1.0348 1.7272 1.0121 2.5728 1.4800 1.3487 1.3260 0.9075 0.2401 1.0605 1.8758 0.6096 0.2499 1.0496 1.5386 1.6461 1.0293 1.2232 1.1619 1.4145 0.4924 1.5487 1.2610 1.3829 0.8917 1.1937 0.7668 0.5866 0.6857 1.0635 0.8162 0.6498 0.4286 1.8201 1.1344 1.3549 1.7075 0.9765 0.9826 0.5090 1.1344 1.1968 0.5213 2.0137 1.6183 0.9215 0.8902 0.9492
1-Nitrosopiperidine 0.8671 0.8708 0.9350 0.7823 0.7585 1.2612 0.9686 0.6560 1.0156 0.7877 0.9830 0.6898 1.2789 0.9016 1.0264 1.0213 0.7647 1.4633 1.3300 1.1948 0.7597 0.8940 0.9341 0.8349 0.6436 0.7690 0.6644 0.9255 0.6481 1.8759 1.1381 0.8962 0.7027 0.8989 0.6409 0.7680 1.3152 0.9417 1.0664 0.9419 1.2202 1.3834 1.0419 1.0913 0.7293 0.6047 1.2463 1.3022 0.9831 0.8219 1.4491 1.4302 0.8549 0.7848 1.5010 1.5490 0.8282 0.9382 1.3726 1.0518 1.3076 1.4098 0.6268 0.5972 0.5509 0.9647 0.8759 0.7852 1.2172 0.9870 1.0685 1.0922 0.8740 0.7821 1.2753 1.3561 1.5393 1.2110 1.0224 1.0497 0.9856 1.2383 0.9198 1.4560 0.8201 1.0255 1.0298 1.0366 0.9885 1.5199 0.9441 0.9784 1.0042 1.2229 1.2216 1.7085 0.7196 0.6991 1.5639 1.0507 0.9305 1.0779 0.9683 1.3044 1.2995 1.3942 1.3147 1.1247 1.0098 0.9168 1.4328 1.5103 0.7514 0.6958 0.9934 1.3964 0.8205 1.1872 1.3136 0.6820 1.1175 1.9792 1.4221 0.6327 0.8594 1.1978 0.9831 0.7211 0.9968 1.4759 1.0175 0.7621 0.5835 0.8791 0.9820 1.1120 0.9445 0.9702 0.7404 0.7471 1.0775 0.7520 0.7138 1.4335 0.9568 0.8476 1.1498 1.0212
1-Palmitoylglycerophosphocholine 0.9605 0.7490 0.9290 0.9710 0.6643 1.1977 0.8996 1.1075 0.8679 0.9435 0.7989 0.7456 1.3156 0.7567 0.9040 1.1180 1.0391 0.8278 0.9548 0.8449 1.0723 0.8266 1.1516 0.7708 0.7128 0.7769 0.9824 0.6943 0.6078 1.0078 0.9931 0.8539 0.9021 0.8077 1.1389 0.7907 1.0733 1.1020 0.8200 0.9160 0.8131 0.9445 0.8879 1.1077 0.6723 0.8973 0.9601 0.8740 0.9025 1.0870 0.8023 0.9278 0.8653 0.9649 1.0090 1.0680 0.7417 0.7795 0.8652 0.6778 0.9526 1.1607 0.8222 0.8496 0.8655 1.0443 0.7623 0.8331 0.9059 0.9631 0.7254 0.9592 1.1669 0.8566 0.8531 1.1452 0.6075 1.0124 0.9486 0.9434 0.9496 1.0750 1.0507 1.3345 0.9172 0.7870 1.1203 0.9874 1.1547 0.8626 0.7787 1.0432 0.8906 1.1195 0.7090 1.0520 1.1585 1.0703 0.7851 0.7150 0.9477 0.9103 1.0877 0.6821 1.0187 0.8193 0.7674 0.8288 0.7812 0.8014 0.9970 0.9022 0.6576 0.9277 1.0938 1.2992 0.9420 1.0496 1.1675 0.5408 1.0315 1.1178 0.9047 0.6976 0.7938 0.9081 1.1841 0.7076 1.1214 0.9490 0.6652 1.3348 0.8911 0.9354 0.9468 0.9901 1.0592 0.9151 0.6652 0.9632 0.9674 1.0355 1.0436 0.8712 0.9613 0.8647 1.9376 1.0587
1-Pyrroline-4-hydroxy-2-carboxylate1 1.2450 1.1703 0.7552 0.4383 1.4420 1.2567 0.4475 0.3515 0.8128 0.4498 0.9473 0.9195 0.6894 0.3532 0.5466 1.5004 0.5074 2.9391 1.0410 1.1008 0.3706 0.6260 0.4040 0.6113 0.2720 2.0379 1.1855 1.3671 0.8064 1.3492 0.9517 0.7946 0.6530 0.7392 1.5717 0.6600 0.9028 0.5015 1.2312 0.4510 1.6764 1.2127 0.5124 0.3381 0.6463 0.2973 0.7992 0.5624 0.8778 0.6770 0.8529 0.6588 0.9420 0.7018 1.2843 0.9728 0.8585 0.4336 1.8533 0.5703 0.9751 0.9648 0.8585 0.5000 0.8122 0.5908 0.6219 0.4041 0.4339 0.4159 0.6233 0.4916 1.6814 0.9123 1.1017 1.0864 1.4655 0.4586 0.7801 0.4079 0.6919 2.0902 1.2976 1.1507 0.9458 0.5994 0.3625 1.1046 0.4543 1.7349 1.0856 0.6366 0.7395 0.5519 0.9681 0.9119 0.5210 0.4105 0.7772 0.4576 0.3292 1.2423 0.5386 1.0226 0.8408 1.0402 0.7844 0.7312 0.5461 0.6723 0.7243 0.9392 1.2590 0.7496 1.2388 0.6984 0.7226 0.7209 0.7061 0.5851 0.6154 1.1214 0.5976 0.3931 0.5603 0.5944 1.2993 0.6204 0.5909 0.8907 0.3864 0.2734 0.3601 0.4689 0.4370 0.5332 0.5608 0.4623 0.7312 0.3182 0.5200 0.3656 0.3408 1.1073 0.3049 0.1726 2.7633 1.4463
1-Pyrroline-4-hydroxy-2-carboxylate2 0.4529 1.5970 0.3287 1.4287 1.0157 1.0736 0.6468 1.1438 0.3127 0.3557 0.9059 0.3101 0.8456 0.4321 1.3841 0.3837 1.1633 2.9591 0.9921 0.4974 1.0061 1.5513 2.3195 0.0161 0.6366 0.7301 0.5681 0.5095 1.4498 0.6763 1.2599 2.5569 0.5655 1.1554 1.7380 0.7699 1.3627 1.2119 1.0817 1.0159 3.5925 4.3269 1.0928 2.0092 1.0883 1.6483 0.7869 0.9254 0.3265 0.4175 1.0498 2.9419 0.2482 1.2119 2.2597 3.8702 1.0796 3.4277 0.4515 0.6750 1.4762 1.2262 0.4765 0.3339 0.5227 0.5166 0.3302 1.0500 0.6612 0.7822 0.6241 0.8820 0.6461 1.4215 0.8823 1.2828 1.7894 1.9886 0.5392 1.0204 0.6960 1.2002 0.4524 0.4799 1.4809 2.4963 0.6230 0.5881 1.1505 0.9873 0.3408 2.3970 0.7474 0.7501 0.2650 1.1130 0.4263 1.2467 0.4814 0.4295 1.0657 0.4716 1.3976 1.4475 1.3579 0.6948 2.0551 0.9691 1.2679 1.9614 1.9004 1.2491 1.4014 1.1615 1.9899 0.7450 1.6929 1.8366 2.8458 0.4558 1.5344 0.2168 0.9489 0.9916 0.9403 0.9947 0.4979 0.3008 0.3340 1.6860 0.5577 0.4730 0.5579 0.8245 0.5605 0.7005 0.6807 0.9811 1.2545 0.8540 0.7845 0.8000 0.5148 0.3026 0.9994 1.9277 0.7181 0.8789
20-beta-Dihydroprednisolone 1.8084 1.2527 0.8788 0.6793 0.7294 1.2954 0.5104 0.6679 0.4178 1.1715 0.5713 1.1849 0.8578 0.4633 0.8757 1.8614 1.3501 0.8167 1.0036 1.2345 0.8599 0.8400 0.8064 0.7024 1.1292 1.3205 0.9676 0.8122 1.5232 0.9554 0.8154 0.7644 0.7403 0.4570 0.0321 0.7363 1.6503 1.5568 1.1484 1.7315 1.5835 0.4981 1.5082 1.5777 0.8155 0.8261 0.2074 0.8901 1.0849 0.7133 0.7961 0.5364 0.9630 0.6106 1.6335 1.6084 0.7436 0.4806 0.7256 0.3122 0.3218 1.2769 0.4280 0.5344 0.5646 0.9688 0.6537 0.8467 0.4703 0.5086 0.2338 0.6795 0.9524 0.8258 0.8104 1.5906 0.4148 1.4913 0.2330 1.1891 0.8185 0.6545 0.5112 2.8776 0.8130 0.4849 0.4940 1.9704 1.7599 0.7529 0.5158 0.8196 0.6484 0.6708 1.0130 0.0739 0.7225 0.8565 0.7452 0.5345 0.7157 1.2766 1.8010 0.5221 0.6572 1.8249 1.5973 0.4008 0.3976 1.5995 0.7429 1.5038 0.5696 0.5366 0.5670 2.1993 1.6859 1.8678 0.7561 2.0596 1.6779 1.9232 0.5662 3.6485 0.0601 0.5817 0.9963 1.9818 0.6740 2.1218 0.8201 1.0039 1.2475 1.7037 0.9562 2.4987 2.0650 0.8255 5.3562 2.0179 0.9612 3.3279 3.4826 1.9173 0.8683 1.0864 0.8198 0.8418
21-Deoxycortisol 2.0649 1.1016 0.4143 0.8766 0.0906 3.2901 1.3946 0.7799 0.0947 0.1886 1.9475 0.1696 0.1031 0.4584 0.2971 13.5915 0.5353 3.3193 11.8311 1.1527 1.8516 0.5013 0.9604 0.1081 4.4803 0.1371 0.0899 0.0894 0.5581 0.3321 2.1291 0.0934 0.0960 0.1454 1.4556 2.4844 0.4056 0.3903 0.6729 0.6336 2.6970 0.1875 0.4029 0.2191 0.7317 0.1541 0.1051 0.4121 0.1914 1.5304 0.5178 0.5583 0.1967 0.0890 2.2867 0.6772 0.2978 0.3176 1.2790 0.3210 0.6353 0.0899 0.3553 0.2949 2.4131 2.5439 0.5478 0.8846 1.6985 4.2163 0.2403 0.1652 0.4903 1.6652 0.5255 0.3533 0.1410 0.2216 0.1793 0.2557 0.2777 0.8397 0.2617 1.4906 0.2269 0.1776 0.1558 0.1343 0.1567 0.3989 0.4037 0.7443 0.2844 8.4413 1.6011 0.2098 0.1271 2.2443 2.6892 1.1329 0.3267 11.4591 0.2603 0.1318 0.7656 0.1094 2.1045 0.2514 0.5116 2.1508 0.3979 0.4302 0.5370 0.1767 1.5119 0.5644 0.1627 0.2428 0.1142 0.3592 0.1287 0.3412 0.3045 0.2875 0.3427 0.4775 0.1100 0.2071 0.3613 0.4749 0.1773 2.2942 0.3618 1.7374 1.1070 0.7227 0.3993 10.7458 0.6770 0.3544 2.3066 0.3283 1.2222 0.5003 0.4979 0.3190 0.4524 0.3221
2-((2-hydroxyethyl)amino)benzoic acid1 0.6689 0.4829 0.7744 0.9909 2.0436 0.7357 1.1047 0.4361 0.7124 0.2776 1.5564 1.5347 0.3968 1.3884 0.6560 1.8861 0.9626 1.5143 1.4958 1.3744 1.5193 1.1667 0.7529 1.4218 0.5633 1.3873 0.7744 1.9396 1.7683 2.5544 1.0682 0.7165 0.7215 0.4968 1.0702 0.8641 0.7900 1.4386 0.7287 1.5526 2.5911 1.8922 1.5395 1.3857 1.3807 0.8981 0.6417 0.4854 0.9776 0.8136 1.0178 0.8999 2.2420 0.9590 0.7825 0.8736 1.3182 1.0526 0.7181 1.0696 1.7621 1.7025 1.8750 0.9851 1.3474 0.4197 0.8050 1.9849 1.6273 0.7455 1.7881 1.3658 1.6783 1.4416 0.9021 0.8246 2.1604 1.7126 0.8075 0.6758 0.8237 0.6813 0.8659 1.4093 0.8031 0.4253 1.1955 0.6674 0.6154 0.8926 0.7436 0.6081 0.6101 0.9555 0.7907 0.6280 0.7210 0.5217 0.7399 0.7985 0.8618 0.7875 0.6942 1.0508 0.8957 1.0936 0.7846 0.8191 0.4159 0.5764 0.8217 0.5144 0.9079 1.1341 1.0369 1.0040 0.9416 0.7822 0.5280 0.5775 0.5853 1.0259 0.6779 0.4913 1.8488 0.5758 0.6790 0.4781 0.8401 0.8929 0.8780 0.5075 0.4696 1.2103 1.1714 0.8649 1.1058 1.0175 0.9967 1.3118 0.8847 0.7704 0.8408 1.2025 0.7703 0.7307 1.2855 0.6314
2,3-dihydroxy-N-methoxy-6-propylbenzamide 0.6662 8.0497 0.1941 1.7128 1.4941 0.8537 0.1741 1.2161 0.3321 0.5319 1.7654 0.3474 0.8229 1.5268 9.3118 0.0912 3.2795 1.4380 0.8056 0.3021 0.3924 0.1106 0.1188 1.2725 2.6625 0.9026 0.3514 1.3056 2.8496 0.2922 0.4136 2.8429 2.2895 0.4524 3.7105 1.7611 0.7259 2.6650 2.5842 0.1722 0.9790 0.9371 0.4315 0.7337 0.6558 2.2624 0.2747 0.2891 0.5007 0.3801 1.7752 0.5808 0.1079 1.1463 0.7407 0.5011 8.4452 2.7572 0.3926 0.6059 0.5655 3.9558 0.5025 1.0563 0.4220 0.8197 0.3437 0.2028 0.2913 0.6362 0.4093 0.5048 0.3536 1.2869 0.6915 0.1387 0.8332 4.5886 0.4488 1.5533 0.1360 0.5167 1.4112 1.3437 0.3073 2.7831 0.3573 0.2225 0.2362 0.7201 0.3417 0.3059 4.0324 1.3524 0.3298 3.5378 0.3712 0.3485 0.2172 0.1950 0.4252 1.1489 0.5492 1.3319 0.6243 0.0424 0.3387 0.1731 0.3070 0.0654 1.5432 0.9135 1.2946 0.1955 0.2697 1.4735 0.4683 1.2003 0.4833 0.4491 0.6077 0.1919 0.2933 0.1937 0.2306 0.2601 2.1789 0.7563 0.1786 2.0358 0.2318 0.6728 0.6037 0.2382 0.1078 0.3000 0.0613 1.3790 0.7977 0.5804 0.4633 0.0802 0.3392 0.1199 0.1061 2.0831 1.0223 0.4990
2,4,6-Octatriyn-1-ol 0.6990 0.5364 0.8299 0.9861 2.3152 0.7063 1.1184 0.3877 0.3849 0.2542 1.6333 1.6933 0.4060 1.3828 0.5860 2.1184 0.9621 1.5949 1.5158 1.4582 1.5248 1.1602 0.4065 1.5350 0.5257 1.4234 0.8460 2.0843 1.9152 2.7431 1.0948 0.6696 0.7425 0.5011 1.0291 0.8808 0.7112 1.4953 0.3134 1.6722 2.8606 1.9233 1.5516 1.3917 1.4399 0.9130 0.6377 0.4338 0.9122 0.8193 1.0493 0.9342 1.2116 0.9473 0.5354 0.8785 1.3205 1.0960 0.7334 1.1379 1.8242 1.7948 1.9504 0.9732 1.4326 0.3844 0.8487 2.0997 1.7126 0.8251 1.8873 1.4184 1.7755 1.5155 0.9183 0.8317 2.2888 1.8153 0.7903 0.6374 0.8294 0.6767 0.8515 1.5498 0.7553 0.4552 1.1927 0.6555 0.6428 0.9403 0.7432 0.5898 0.5285 0.9871 0.7569 0.6048 0.7088 0.5629 0.7449 0.7975 0.8324 0.7918 0.6807 1.0256 0.8875 1.1184 0.7950 0.7329 0.4173 0.6312 0.8099 0.5031 0.9392 1.1507 1.0101 0.9760 0.9718 0.7301 0.5569 0.6283 0.6036 1.0585 0.6919 0.5294 1.9604 0.5510 0.6380 0.4276 0.8952 0.7358 0.8258 0.4861 0.3852 1.3065 1.1073 0.8612 1.0503 0.9890 1.0765 1.3415 0.8507 0.7205 0.8311 1.1512 0.6287 0.7166 1.2197 0.9879
2_5-Dihydroxypyridine 1.6547 1.6223 1.2737 1.0783 0.7682 1.1297 1.3962 1.6868 1.2152 1.1827 0.3552 0.7634 0.6378 0.5346 1.6310 1.0768 1.8851 1.4050 0.7872 1.3684 1.1631 1.0220 1.3112 0.7135 1.1301 0.3721 0.9501 0.4369 0.5896 1.5409 0.4259 0.6582 0.6184 1.3752 1.0510 1.0532 1.2466 1.3110 1.4808 0.6392 0.5959 1.1332 0.9675 1.3065 0.8716 1.4168 1.5678 1.5411 1.4604 1.4553 0.8729 0.4185 0.4854 0.7197 0.4154 0.6197 1.2928 1.3979 0.9871 0.7455 0.9766 1.9582 0.9724 1.1240 0.9294 1.0947 1.3071 0.7367 1.4709 1.3924 0.9938 1.3317 0.8278 0.7630 1.0303 1.2434 1.2368 1.6805 1.4893 1.4710 0.5210 1.0864 1.1168 1.9357 0.9186 1.2251 1.8657 1.0295 1.4384 0.7794 0.5684 0.4688 1.4367 0.4003 1.7103 1.1999 1.6665 1.4244 0.6243 0.5028 1.5887 1.3000 1.2867 1.7064 1.4199 1.5952 1.5677 1.2636 1.3742 0.5344 0.8343 0.5112 1.1659 1.2183 1.7794 1.6357 1.3639 2.0946 1.7349 0.9839 1.3310 1.7966 1.2091 1.1610 1.2371 1.8848 1.6528 1.2139 1.5592 1.9665 0.6466 0.5795 1.3386 1.4939 0.9107 0.4754 0.7348 0.8312 1.3778 0.7891 1.4381 1.2716 1.6263 1.6288 1.9431 1.8648 0.2429 0.5314
2,5-Dimethyl-3-hexyne-2,5-diol 0.4666 0.4666 0.3123 0.6041 0.1961 0.7295 0.1797 0.1834 0.0202 0.3790 0.4812 0.0167 0.2497 0.2428 19.0722 0.2706 0.3351 0.3200 0.2764 0.2267 0.4275 0.7637 0.8279 0.7769 0.5011 0.1191 0.1632 1.2610 1.2550 0.2976 0.4529 0.1825 0.0302 0.6238 0.1969 0.0703 0.2454 0.3497 0.4254 0.3373 1.9156 0.3848 1.5233 1.5852 1.8280 1.0150 0.1926 0.1987 0.1455 0.1264 0.3262 0.4939 0.0856 0.1111 0.6265 0.5475 0.2355 0.1922 0.0567 0.1538 1.0254 0.7223 0.1107 0.1300 0.5620 1.0014 0.3575 0.4063 0.2137 0.1114 0.2164 0.6560 0.5071 0.3105 1.2036 0.2371 0.4363 0.2075 0.2458 0.2019 0.1229 0.1409 0.0130 0.3060 0.1496 0.2970 0.0267 0.1721 0.2543 0.2091 0.0965 0.0883 0.2749 0.3183 0.5549 0.5569 0.0883 0.1069 0.1935 0.2301 0.1643 0.9977 0.8428 0.2887 0.1919 0.2100 0.2977 0.1170 0.1066 0.5071 0.4198 0.3253 0.1878 0.0668 1.0379 0.1513 35.4321 0.3516 0.1306 0.6537 0.3276 0.1690 0.5186 0.0531 0.1544 0.7162 0.1838 0.0116 0.6485 0.4218 0.1219 0.2244 0.1601 1.0536 0.1763 0.5877 0.7489 0.8510 17.6944 0.6647 0.2351 0.2789 1.2928 0.0102 1.1450 1.0898 2.2085 0.2725
26:6(8Z,11Z,14Z,17Z,20Z,23Z) 0.5576 0.6638 0.4894 0.4878 0.8834 0.4613 0.4352 1.0580 1.0128 1.7623 0.8117 1.2311 2.7095 1.2085 4.5679 0.5897 1.1971 1.0441 0.7620 1.0902 0.9147 1.2715 0.9249 1.1051 1.3411 1.2537 1.1862 0.9374 1.5592 1.5244 1.5489 1.5410 0.5496 0.5060 1.7796 1.2523 0.7102 0.7917 0.7068 0.5875 3.3053 4.1941 0.2847 0.4036 1.2917 2.0040 0.7333 0.6605 1.7281 1.4340 4.1434 1.6079 0.5790 0.5238 0.2776 1.5681 1.3298 1.3784 0.6534 0.6611 0.8814 2.0425 0.4796 0.6603 2.2494 1.8033 0.6365 0.5329 0.5884 0.6984 0.4850 0.8513 1.8989 1.1366 0.6217 1.4433 2.3163 2.5125 1.4524 0.5563 1.2975 2.3320 0.9803 2.7499 0.7074 1.7397 0.9456 0.9681 0.6481 1.0006 0.9065 0.3447 0.6367 1.0219 0.6036 1.0297 1.1362 0.9693 0.4740 0.9009 0.5453 1.5690 0.7111 1.5527 0.8472 1.1377 1.4090 1.4809 2.2268 0.3604 1.4116 2.3933 1.7366 1.5332 0.5824 0.5733 0.7324 1.8244 0.4542 0.3288 0.6671 0.4908 0.4220 0.5988 0.8058 0.2237 0.5621 0.6688 0.1412 0.4225 0.7080 0.2959 1.1340 1.1224 0.4664 0.6328 0.7371 0.3404 2.4216 0.3010 1.0215 1.3114 0.7225 0.3565 0.6385 0.4457 0.6890 0.7052
2_6-Diaminoheptanedioic acid 1.0145 1.0885 0.9851 0.5193 0.8451 0.8732 0.4239 0.3350 1.0105 0.8312 1.9187 0.6719 0.9550 1.2707 2.2521 1.5101 1.3705 2.2011 1.5643 1.1656 1.3641 0.6553 0.7461 1.1926 0.9289 0.7451 0.4765 1.5405 1.5385 2.4013 1.5315 1.3064 0.5638 0.5629 2.2393 0.9482 2.1465 1.4791 2.8863 1.6524 1.5865 1.7941 0.9789 1.1893 1.3153 1.0025 0.3514 0.5546 1.4620 1.1850 2.6918 2.1241 0.2243 0.8341 2.9368 3.5037 1.3141 1.7580 1.1387 2.0399 1.1043 1.0244 0.7745 0.6853 0.8572 0.8628 0.8785 1.1369 1.3575 0.8647 1.4049 1.3623 2.6333 0.9061 1.2986 0.8908 1.4543 1.6109 1.0006 1.5356 0.9093 1.1817 0.0135 1.5043 0.2308 0.9511 0.8506 0.6921 0.9554 0.5567 0.7403 0.8748 0.8022 0.4122 0.8459 1.0573 0.9098 0.5223 1.2513 0.7880 0.9188 0.5484 0.6350 1.0620 0.6712 1.6441 1.0625 0.7464 0.8757 0.6763 0.9024 0.5770 1.4182 0.6758 0.5886 1.4037 0.6123 1.1685 1.2225 0.6996 0.6827 2.1575 0.8669 1.1599 2.3483 1.2669 0.6538 0.7324 0.6946 1.8818 0.8204 1.0740 0.5550 1.1979 0.6192 1.9445 1.2643 1.1162 1.1433 0.6478 1.1327 0.5347 1.1560 3.8994 0.7860 0.5175 0.2550 0.9737
2-Acetamidophenol 0.1975 0.1497 0.2402 1.4826 0.1505 0.1460 0.3374 0.3443 0.1400 0.1569 1.4094 0.1553 0.1458 0.1404 0.1520 0.5064 0.1482 0.1592 0.1413 1.3190 0.1491 5.0221 0.2487 0.1453 1.2320 0.1426 0.7070 0.1546 0.1496 0.1540 0.1467 5.6362 0.1421 0.1675 0.1453 0.1437 0.1427 1.7574 0.1445 0.1469 1.5348 1.4009 0.8197 0.9002 2.5771 2.5510 0.1678 0.1488 0.1506 0.1493 5.4187 5.5713 0.1462 0.1606 0.1482 0.1521 0.1679 8.6243 0.1475 0.1447 3.0926 0.1460 0.1449 0.1533 0.1354 0.1493 0.4484 4.2771 0.1527 0.2433 0.7578 1.3319 0.2044 2.8029 0.9620 0.1573 0.3317 2.6895 0.1739 0.1546 1.1521 1.6242 0.1553 0.1543 6.4731 1.2219 0.1494 0.1534 0.4159 0.1468 0.1596 0.8505 0.1610 0.1536 0.1565 0.7473 0.1577 0.1536 0.1538 0.9461 1.1341 0.1886 0.1472 11.1543 7.6056 0.1535 0.1664 2.5271 3.0666 1.1660 0.1488 0.1547 0.1563 0.1510 2.9091 0.1843 3.2879 0.9877 0.1577 0.1450 0.1531 0.1490 0.3020 5.4321 0.1493 0.4929 0.1465 0.1509 0.1547 1.1190 2.5985 2.1363 0.1633 0.3199 4.3453 0.1545 1.8206 0.3660 1.2973 3.1953 0.1381 0.1609 0.1464 0.3303 0.1444 1.2271 1.0360 1.2098
2-Amino-4-oxopentanoicacid 1.2554 1.1339 1.2372 0.4979 0.6878 0.8711 0.8286 0.8127 0.8726 0.9573 0.8051 0.5843 1.0184 1.2037 1.0984 1.0987 0.9736 1.1846 0.8664 1.2863 1.1097 0.9265 0.8383 0.8573 0.8461 0.7364 1.0479 1.1708 1.2215 1.2234 0.9877 1.3264 1.1317 0.7462 1.3956 0.5793 1.0514 1.0878 1.6060 1.1255 1.2130 1.2785 0.9801 0.7003 1.2341 1.0685 0.5559 1.0507 0.9988 0.7519 1.1938 1.2278 0.6415 1.3730 1.8713 1.7001 0.8281 0.8945 0.8728 1.3372 0.7791 1.1199 1.0347 0.8848 0.9663 0.8251 0.5575 0.9542 2.5793 2.5677 0.8584 0.7199 2.3312 0.8203 0.7040 0.8887 1.0487 0.9057 0.8798 0.8734 1.0164 1.0906 0.5429 1.6771 0.8445 1.0732 1.1652 0.7431 0.9149 0.8484 0.7597 1.0293 1.0282 0.8054 0.8064 1.1493 0.4853 0.7006 1.3967 1.2561 1.0390 1.3984 1.2475 0.7802 1.0774 1.2170 1.0431 1.2616 0.9700 0.8614 1.0947 1.0534 0.7590 0.7462 1.0801 1.3301 0.8304 1.8551 1.9200 0.7289 0.9004 1.3701 1.0411 1.1473 1.8034 1.4879 1.0848 1.0768 1.0610 1.3180 0.9892 0.9202 0.9406 1.5447 1.1265 1.5056 1.4476 1.3334 1.2074 1.2675 1.0512 1.3201 1.0548 1.4196 1.2683 0.9128 0.8049 1.0801
2-Aminoacetophenone;O-Acetylaniline 0.6760 0.4731 0.7764 0.9572 2.0847 0.7453 1.1040 0.4307 0.7104 0.2767 1.5795 1.5226 0.3825 1.3819 0.6534 1.9011 0.9533 1.4834 1.5027 1.3694 1.5442 1.1579 0.7436 1.4276 0.5538 1.3960 0.7761 1.9732 1.7746 2.5748 1.0822 0.7076 0.7285 0.4774 1.0593 0.8304 0.8149 1.4603 0.7106 1.5784 2.6313 1.8790 1.5473 1.3860 1.3794 0.9050 0.6499 0.4809 0.9765 0.8055 1.0031 0.9100 2.2850 0.9607 0.7807 0.8698 1.3216 1.0357 0.7208 1.0752 1.7894 1.7151 1.8769 0.9803 1.3499 0.4287 0.8160 2.0117 1.6099 0.7414 1.8092 1.3603 1.7431 1.4451 0.9099 0.8144 2.1836 1.7374 0.7960 0.6799 0.8114 0.6671 0.8411 1.3998 0.7934 0.4157 1.1902 0.6974 0.6097 0.8688 0.7508 0.6106 0.5896 0.9028 0.7799 0.5952 0.7083 0.5334 0.7294 0.8029 0.8345 0.7699 0.6903 0.9770 0.9027 1.0764 0.7434 0.7823 0.4248 0.5857 0.8051 0.5166 0.8738 1.1530 1.0193 0.9865 0.9213 0.7414 0.5284 0.5737 0.5821 0.9801 0.6669 0.5116 1.8849 0.5505 0.6916 0.4489 0.8522 0.8752 0.8115 0.4964 0.4497 1.2298 1.1077 0.8406 1.0796 0.9522 0.9709 1.2819 0.8779 0.7279 0.8438 1.1529 0.7479 0.7253 1.2820 1.0139
2-Diethylaminoethyl methacrylate 0.9090 1.2082 1.5404 1.9698 0.6859 1.0263 0.6086 0.5339 2.0811 2.0048 0.8647 1.1906 1.6162 0.8811 0.2473 2.2978 1.2928 0.2981 0.2343 0.6836 0.3236 0.9603 1.0366 1.1996 1.0586 0.2468 0.5289 1.5275 1.3888 1.2014 1.3278 0.6848 0.8286 0.8330 0.3456 1.0718 1.3515 1.2700 0.7136 1.3133 2.6474 2.4420 2.8844 2.3202 0.3728 0.2453 2.8948 3.2963 0.8493 0.6969 1.7756 1.5341 0.4196 0.7679 0.7995 1.0122 0.3060 1.0617 1.2500 0.2816 1.1422 0.7248 0.4211 0.7159 0.6179 0.4437 0.7975 1.6714 3.9779 2.9397 0.4411 0.6009 0.5220 0.3574 1.8479 1.4352 0.9346 1.9202 0.7777 0.9958 0.5083 1.5450 0.9057 0.4280 0.8494 0.4600 2.2472 0.8637 0.8354 1.3519 0.5059 0.6779 0.6991 0.4381 0.8077 1.0297 1.3610 0.6447 1.0953 0.9265 1.2826 1.5601 1.5869 1.7217 1.3284 1.6257 1.7539 0.8274 0.9317 0.5721 1.5572 0.8298 0.9608 0.8640 0.6824 0.3228 1.2399 0.8509 0.6256 0.4703 0.6356 0.5965 0.8409 0.9951 1.3192 1.7188 0.1768 0.3803 1.2251 0.6326 0.9525 1.7845 0.5186 0.2168 1.7970 0.5999 0.8449 0.9463 2.9706 0.7601 1.1468 0.2891 0.3126 0.2086 0.5307 1.2104 0.8021 1.6020
(2E,4E)-7-methylocta-2,4-dienoic acid amide 0.0519 0.0276 0.0562 0.0450 0.0327 0.0604 0.0222 0.0203 0.0427 0.0193 0.0278 0.0198 0.0062 0.0330 0.0527 0.0610 0.0269 77.8335 25.0894 0.0669 0.0356 0.0331 0.0429 0.0495 0.0211 0.0173 0.0222 0.0328 0.0219 0.0261 0.0428 0.0194 0.1031 0.0529 0.0538 0.0490 0.0216 0.0208 0.0226 0.0198 0.0217 0.0238 0.0261 0.0296 0.0496 0.0580 0.0216 0.0467 0.0621 0.0563 0.0345 0.0210 0.0419 0.0564 0.0484 0.0270 0.0213 0.0220 11.4263 0.0357 0.0221 0.0426 0.0174 0.0176 0.0191 0.0193 0.0243 0.0343 0.0277 0.0213 0.0318 0.0712 0.0368 0.0212 0.0215 2.5308 0.0180 0.0241 0.0576 0.0195 0.0438 0.0504 0.0825 0.0737 0.0222 0.0159 0.0714 0.0350 0.0215 0.0237 0.0215 0.0272 0.0203 0.0816 0.0865 0.0722 0.0583 0.0226 0.0527 0.0720 0.0627 0.0217 0.0195 0.0792 0.0192 0.0286 0.0241 0.0206 0.0183 0.0168 0.0180 0.0182 0.1484 0.0203 0.0224 0.0229 0.0226 0.0204 0.0335 0.0237 34.9707 0.0250 0.0522 0.0382 0.0222 0.0350 0.0432 0.0436 0.0474 0.0268 0.0497 0.0611 0.0223 0.0305 0.0605 0.0315 0.0359 0.0224 0.0562 0.0752 0.0227 0.0197 0.0528 0.0714 0.0440 0.0190 0.9172 0.2183
2-Ethylmalate 1.3169 1.0455 1.6146 0.6538 2.0338 1.1473 0.8245 1.0917 0.7464 0.6981 1.0206 1.0265 0.9150 0.6876 0.5967 0.6505 0.6277 0.8112 0.5696 0.8278 0.6244 1.0048 0.7601 0.7098 0.6284 3.7196 0.9985 0.6328 0.4901 0.7572 0.6044 0.7026 0.8714 0.6038 5.4033 1.6104 0.6809 0.6800 1.1163 0.5855 0.7301 0.3983 0.7145 0.6661 0.5372 0.6740 1.1219 1.1970 0.7682 0.6297 0.8446 0.6286 0.4455 0.5296 0.8092 0.7173 0.4592 0.5634 1.7200 0.5997 0.6371 0.5409 0.6953 0.7438 0.7840 0.9613 0.8587 0.4293 0.7467 0.8963 0.5444 0.4773 3.7771 0.6588 0.6548 0.6573 0.8651 0.5211 0.7386 0.6516 1.1210 1.7255 5.5691 0.9355 1.7125 0.8992 1.3330 5.4362 0.5652 2.3079 0.7221 0.7469 1.4943 0.5903 1.4412 1.5095 1.6666 0.9526 1.0949 1.2747 0.7019 1.5872 1.6460 0.8222 0.6377 2.1921 1.6918 1.0048 1.0315 0.7545 1.1722 0.3153 1.4636 0.6917 0.9556 0.9545 1.1030 0.6762 1.4441 0.8586 14.8204 0.6934 0.8306 1.4205 0.6141 1.9285 0.8524 0.7540 0.5621 1.1245 1.3667 0.8146 1.5038 0.6088 0.7110 1.5901 0.9983 0.8069 0.6912 0.9441 0.6003 0.8021 0.7727 0.9678 0.8070 1.0356 0.3226 0.9146
2-Hydroxyphenethylamine 0.6116 0.7409 0.6926 0.4048 0.5532 0.7031 1.0432 0.9380 1.2364 1.1013 0.6947 0.4448 0.6658 2.5392 0.9532 0.7955 0.9427 0.6398 0.4712 0.9004 0.7321 2.6604 1.5910 0.6442 0.7628 0.7557 0.7541 0.3728 0.5239 0.4735 0.5605 0.5481 0.6938 0.9126 0.8132 0.3859 2.3382 0.5656 0.7562 0.5154 0.3820 0.3595 0.4191 0.4633 0.5863 0.9121 1.2498 1.3615 0.8954 0.7588 2.5058 0.8551 0.7151 0.8810 0.8811 0.5876 0.7265 0.5605 0.8639 0.6644 0.3677 0.6335 0.4252 0.4942 0.2977 0.9727 0.6281 0.6046 0.5206 0.8853 0.6873 0.7480 1.0704 0.5181 0.4668 0.7784 0.5244 0.3605 0.5378 0.8308 1.0944 0.9421 1.0847 0.8869 0.9152 0.6089 0.7997 0.5464 0.7278 3.0313 2.4229 0.8721 1.5493 1.5003 1.4899 0.9544 0.9038 0.4615 3.5936 2.7485 1.8943 1.3295 0.9873 1.2066 0.5085 0.6578 0.8568 1.5325 0.6096 0.5604 2.5708 1.7929 0.5096 0.6492 1.2117 1.2909 0.6329 1.0919 0.4687 0.7984 0.6924 1.3068 1.0252 0.9033 0.4353 2.2179 0.7947 0.7130 1.5199 1.2199 1.0116 0.6423 0.8744 2.2228 0.7767 1.0312 1.8496 0.8283 2.3640 1.6873 0.8360 1.2974 0.7544 1.5123 2.4975 1.1735 1.3998 1.6971
2-hydroxyphenylaceticacid 2.3552 0.5283 0.6984 0.5523 0.6005 0.5207 0.6748 0.8014 0.5774 0.4960 0.5430 0.5279 0.4698 0.4783 0.6747 0.4965 0.4385 0.6876 1.4967 0.4757 0.5110 0.5888 0.4543 0.7750 0.5614 0.4461 0.5276 2.2608 1.4623 2.1207 4.7972 0.6890 0.6241 0.9910 0.6835 0.5642 0.4565 0.5843 1.0113 0.5361 0.8315 0.6997 2.1476 2.1690 0.5513 0.4827 0.8282 0.7137 0.5886 0.4979 1.5530 1.8093 0.4905 0.5043 0.5832 0.5374 0.5444 0.5079 0.5546 1.1075 0.6661 0.6911 0.5818 0.5927 2.0102 3.3567 1.3290 3.8043 0.5545 0.6046 0.8051 0.5019 0.5132 0.5336 0.4742 0.7945 1.6817 0.7644 0.5060 0.6393 1.3453 0.4933 0.7585 0.4777 0.4766 0.4725 0.4692 1.1547 0.7455 4.6915 1.3083 0.4614 0.6083 1.8044 1.3688 1.3365 1.2548 1.4107 0.5463 2.1048 2.6378 0.4448 0.4810 0.6275 2.3176 0.6457 1.0695 0.4660 0.4795 4.0463 4.7343 0.5912 0.5281 0.5079 2.4299 0.5544 0.6120 0.5914 0.5179 1.4925 2.9443 0.6167 3.9001 0.5782 0.7744 2.8643 0.6299 0.9375 0.5484 3.6004 0.4622 0.4870 0.5653 1.5696 0.6458 0.6318 0.5158 0.5226 0.7906 0.5068 1.3973 1.2900 0.4614 0.6859 0.5436 2.7392 0.7176 1.1796
2-Isopropylmaleate 0.6702 0.6841 1.1031 0.5464 0.8656 1.2525 1.8774 0.6047 0.5577 0.2469 1.8207 1.3876 0.8276 0.2470 0.2019 1.3301 0.6113 1.2241 1.4772 0.6308 0.4217 0.9808 1.0584 1.0857 0.5373 0.9549 2.2904 1.2665 1.1306 1.8606 1.2131 1.0047 1.1743 1.0304 2.3936 0.5202 1.6207 0.5342 1.3528 1.5745 2.0381 1.6479 1.1093 0.9612 1.7499 0.2564 0.7896 0.6329 1.1400 0.7281 1.6935 1.6166 0.8325 1.1241 2.4353 1.9853 1.0940 0.9262 0.4103 1.3712 1.5802 0.8053 1.3599 0.6237 1.0153 0.6197 0.9399 0.9257 1.3874 0.7803 0.8173 0.7490 1.8083 0.7468 1.4592 1.1960 1.4764 0.5457 1.1743 0.5671 1.7807 0.5740 0.8763 1.1634 1.0593 0.5166 0.8522 0.7009 0.8309 1.2093 1.1393 1.2647 1.2651 0.6716 0.6616 0.6069 0.6475 0.3744 0.6804 1.0508 0.7667 1.0886 1.0937 1.1597 0.9074 1.4276 1.0569 1.3353 0.7252 0.8198 0.8719 0.6660 0.5987 1.3700 0.8077 0.3255 1.2779 1.5087 1.5355 0.6143 1.3640 1.5903 1.2782 0.2746 2.1894 0.4967 1.0906 0.4687 0.7506 0.9105 1.2238 0.9242 0.9182 0.7319 1.8119 1.1622 1.8293 0.6552 0.5105 0.7055 1.4128 0.8035 0.4923 1.4701 0.8337 0.9605 1.0230 1.0559
2-Methyl-1,4-benzoquinone 0.5267 1.9457 0.2934 0.3162 0.4141 0.4035 0.2536 0.9301 0.2597 0.1914 1.2601 0.3692 1.4344 0.1794 0.6259 0.2922 0.7440 1.0363 0.2764 0.2274 0.3706 0.3704 1.4808 0.5980 0.6497 0.1141 0.1917 0.4002 2.5635 0.6100 1.5766 0.6435 0.2301 0.8503 0.3189 0.4998 0.6170 0.8543 3.7727 1.9030 1.4464 1.8012 1.4483 2.5432 0.3525 0.3312 0.4266 0.6387 0.4111 0.2061 1.1652 2.3146 0.1394 0.3467 0.9235 0.4410 0.1930 0.5065 1.7592 0.4985 0.8842 1.4256 0.5034 0.1249 1.1182 0.1619 2.8421 0.9886 1.7926 0.5392 1.3885 0.5322 6.0775 0.6374 0.0568 0.3731 1.4251 0.7147 0.1767 0.5701 2.1338 2.2273 0.3222 1.4163 0.9897 0.3348 0.1682 0.8314 0.7170 1.1628 0.1633 0.6597 0.1226 0.5014 0.1856 0.8503 0.4829 0.2982 0.2254 1.3772 0.7275 0.1375 0.5009 0.7914 0.9548 0.5494 10.2069 0.1878 0.3583 2.4421 0.6099 0.2061 0.9178 0.1398 0.9191 4.6865 2.4381 0.8427 0.3592 0.9728 0.8936 2.1527 2.7229 0.9323 0.1560 4.5423 0.0536 0.2258 0.1559 0.2786 0.4345 1.2472 0.4678 6.1802 0.4842 0.9315 1.1924 2.5836 1.0583 0.8796 0.4897 0.6092 0.2724 2.5390 0.1687 1.5222 1.2718 0.7731
2-methyl-4-hydroxypyridine 23.4156 0.3349 0.3472 0.3955 3.2899 1.2574 0.3507 0.2936 0.4108 0.3229 0.4202 0.4360 0.4552 0.3521 0.4325 0.4390 0.3631 0.4598 0.4267 0.3244 0.4875 0.3550 0.3556 0.4462 0.3575 0.3753 0.3792 0.4152 0.3532 0.4305 0.4351 0.3384 0.4310 0.3818 0.4640 0.4386 0.3952 0.4257 0.4308 0.4799 0.3982 1.6184 0.4622 0.4303 0.4434 0.4010 11.1807 10.4527 0.3789 0.3269 0.4268 0.3369 0.4238 0.4452 0.4462 0.4876 0.4115 0.4084 12.6312 0.3770 0.4329 0.4899 0.4413 0.4508 0.4125 0.3931 0.4105 0.4266 0.4739 0.3626 0.3709 0.3772 0.4642 0.4608 0.4151 4.4644 0.4240 0.4596 0.4022 0.3434 0.3004 9.0945 0.2601 0.4854 0.2954 0.3499 0.2453 0.3910 0.3453 0.2773 0.3620 0.3726 0.3125 0.3009 0.3231 0.5176 0.4026 0.4257 12.8119 0.2972 0.3510 2.0932 0.4125 0.2592 0.3728 2.4873 0.3251 0.2376 0.3415 0.4009 0.2478 0.3951 0.4443 0.3513 0.4480 0.2586 0.3625 0.2679 0.3770 0.3568 0.4344 0.3212 0.3288 0.3551 0.4595 10.7744 0.3413 0.3722 0.3567 0.2458 0.2456 0.3424 0.2386 0.5306 0.3021 0.2918 0.2336 0.3531 0.3174 0.2598 3.6320 0.2217 0.2914 0.3001 0.2412 0.2699 0.6194 1.6528
2-Methyl-6-phytylquinol 0.4613 0.1487 1.6234 0.8738 0.4628 0.5421 0.2474 0.6898 0.5806 0.1399 0.5233 0.9868 0.4658 2.3263 0.4707 0.2474 0.1541 1.1605 0.1931 1.2307 0.5000 0.3885 0.7824 2.2480 0.7852 2.4183 1.7209 2.6003 0.4439 1.3735 1.0852 0.5146 1.4409 1.2970 0.9088 0.4783 1.4420 0.3793 0.4611 0.7769 0.2245 1.7322 0.2368 0.2512 1.0854 0.2537 2.9557 0.4378 0.1831 0.8259 0.5031 0.3092 1.6524 0.9175 0.5313 1.2165 1.7608 0.6493 0.4492 0.2080 2.2086 0.4713 0.4648 0.5137 0.2496 1.0492 1.5607 2.6257 1.1274 0.6072 0.7459 0.4784 0.5478 0.3326 1.9632 0.3711 1.7337 0.5144 0.4397 3.4742 0.7445 0.8940 1.6079 8.0536 0.8223 0.5655 0.1320 0.3436 0.6551 1.0596 1.4970 0.9756 0.3516 1.3443 0.6100 0.4594 0.6406 0.4627 2.0825 1.3768 1.8537 0.5034 1.0376 1.3544 0.4371 1.0936 0.4846 1.5926 1.9717 0.3390 1.2552 0.9885 0.2294 0.6876 0.4784 0.9109 1.3519 1.7600 2.1258 0.4837 0.4200 2.8550 0.4382 0.6922 0.5615 0.9255 1.4733 2.0995 1.6202 0.3620 1.2801 0.6010 0.5497 1.5354 0.3671 0.6184 0.5249 0.5806 4.7298 2.0943 0.4631 4.1940 2.7638 0.4970 0.1500 2.2992 0.9741 0.6994
2-methylhistamine 0.1716 1.2468 0.8000 0.5326 0.6753 3.5422 0.6832 0.7831 0.3796 0.1939 4.1872 1.1436 1.2031 2.5979 0.7665 1.1668 0.8984 2.8137 0.8009 0.9019 1.2229 1.7803 0.5787 0.2544 0.1293 0.4865 0.1864 2.3965 0.5677 0.8998 1.1217 0.3446 0.1141 0.1037 0.3546 0.5900 0.7471 1.0921 1.4422 1.3237 0.7407 1.4383 3.1991 1.7628 2.6675 0.9690 0.4979 0.7920 0.2433 0.4796 0.8646 0.6216 0.5471 0.5482 5.8716 4.6060 0.5611 0.9965 0.4232 1.9134 3.2615 0.5717 0.3919 0.8738 0.4285 0.8485 0.9567 1.3648 0.6064 0.1035 1.2361 1.4244 2.8156 0.0861 1.2720 0.5277 1.9964 0.9082 0.7645 0.3946 0.2144 0.9523 0.5035 1.0196 1.1827 0.7752 0.9367 1.1345 0.1281 1.0689 0.0862 2.0669 2.4545 0.2967 0.0914 0.3323 0.6715 0.3233 1.2115 1.3724 0.6611 1.6847 0.6318 0.7448 1.7424 0.4477 1.3811 1.2423 1.1450 0.0893 0.1232 0.5465 0.8287 0.9195 0.0985 0.1157 1.0338 2.3086 2.2558 0.0868 0.2586 1.1575 0.2332 1.4435 0.5873 3.1131 0.1068 0.7299 0.2694 3.1288 0.2840 0.5920 0.5152 0.1550 1.0400 6.1472 0.4372 2.5026 0.8471 0.1091 1.6953 1.5007 0.8150 0.6001 0.6707 0.1092 0.8945 0.7702
2-Methylnicotinamide 0.4866 0.4235 0.3962 1.3448 1.9723 0.7033 1.4967 0.2725 0.9769 0.2320 1.6754 2.4429 0.0508 1.3055 0.2313 1.3641 4.3201 1.1532 1.6463 0.5646 0.8183 1.0128 0.6081 2.1549 0.5818 0.7165 1.0743 1.8428 1.1818 2.8923 3.4052 0.3084 0.2151 0.0678 1.1903 0.9855 0.3970 0.5775 0.8189 7.0334 5.0087 1.1489 2.0791 3.2841 3.3842 1.7819 0.3285 0.4592 0.2475 0.2830 0.5020 0.8542 2.3739 0.8256 1.8946 2.1080 1.4064 0.9554 0.0737 1.2528 2.2948 0.4974 3.2637 0.4912 1.8460 0.6897 0.3383 1.9537 2.6643 0.2438 1.9855 0.6372 0.9580 0.7903 0.9635 0.2559 2.8282 1.6985 0.6483 0.1805 0.6185 0.3769 0.3676 0.6150 0.4026 0.4440 0.3176 0.6362 0.2896 0.3888 0.4645 0.5105 0.8059 0.3579 0.4738 0.2903 0.7044 0.5441 0.0114 0.9709 0.7575 2.7207 0.0471 0.8791 0.5450 1.1300 1.0499 0.5455 0.2041 0.9190 0.7319 0.1414 0.6395 0.9828 0.5532 0.5723 0.4021 1.8475 0.3468 0.1907 1.0262 0.9459 0.7163 1.1799 1.5259 1.9105 0.4781 0.7041 0.5582 1.3245 1.0706 1.0206 0.4571 1.4039 0.4217 0.7894 0.3530 0.5844 0.4455 0.3900 0.5361 0.7703 1.9843 1.1249 0.4537 0.6075 0.9771 1.1909
2-Methylserine 0.9881 1.1193 1.1014 0.8198 1.1427 0.7547 1.0078 0.8437 1.0878 1.0156 0.9331 0.8225 0.6971 1.6552 1.7494 1.2327 1.1118 1.3174 1.0396 1.3275 1.3014 0.8475 0.8047 1.2079 0.8570 0.7095 0.8206 0.8308 0.6549 1.9135 1.2913 1.0112 0.6392 0.5949 0.7943 0.8823 1.1716 1.0832 1.5805 1.7806 1.2484 0.8782 1.0519 1.0914 0.8144 0.7706 1.3868 1.2223 1.1179 0.7736 1.4508 1.0951 1.2253 0.9653 0.8843 1.0517 1.0536 0.9639 0.9977 1.4411 1.0691 0.7274 1.1233 0.7361 0.5271 0.5942 0.6490 1.0082 1.3566 0.8390 1.2963 1.4263 0.8587 0.8586 0.9416 0.9259 1.8068 1.6351 1.3900 1.2745 1.0941 1.3564 1.0373 1.3013 1.0018 0.6547 1.5756 0.7169 0.9906 1.3727 0.8800 1.1420 0.9130 0.6645 1.1570 1.2192 1.4099 0.7555 3.2445 1.0666 1.0562 0.5840 0.7352 1.2821 0.9473 1.4632 1.2228 0.9221 0.9513 0.8446 1.0662 0.7001 0.6979 0.9845 0.8659 1.2600 1.2749 0.8814 1.6291 0.6326 0.5718 1.4049 0.9466 1.3498 0.8700 1.2509 0.9020 0.9415 1.0675 1.0994 1.9294 0.8628 1.3275 1.0277 1.3895 1.2411 1.3377 1.0065 1.0167 0.6590 1.0108 1.2612 1.1850 1.1906 0.9234 0.6626 0.8144 1.3053
2-Nonene-4,6,8-Triyne-1-Ol 1.1456 0.8687 1.0939 0.5232 0.8947 0.9837 1.1229 0.5900 1.0557 0.7662 0.9318 0.7863 0.6332 0.9244 0.7045 1.1128 0.6923 0.7678 0.7652 1.2381 1.0121 1.2852 0.9544 0.9532 0.8721 0.7897 1.1600 1.1740 0.9626 1.5343 0.9072 0.8586 0.7755 0.5165 1.0307 0.6390 1.1125 0.7006 1.1092 0.9775 1.2389 0.9677 0.9662 0.8585 1.1862 0.7070 1.0157 0.7997 1.4708 1.0410 1.3981 0.8976 0.9982 0.7558 1.2677 1.2289 0.9216 0.7209 1.6952 1.0297 1.0839 0.6941 0.8212 0.7387 0.9109 0.8978 1.1078 0.8990 0.9495 1.0916 0.9962 0.8168 1.1150 0.6708 0.8403 1.1493 1.1112 0.8800 1.1113 1.0634 1.1135 1.0808 1.2633 1.5321 1.0564 0.6879 1.0048 1.5758 1.0582 1.3638 1.2112 1.0968 1.0962 1.0363 1.1108 1.0141 1.0998 0.9112 1.2985 1.2783 1.1297 1.1947 0.9452 1.3101 0.9616 1.7380 1.3168 1.1836 0.9138 0.9084 0.8927 0.9826 0.4431 0.8373 1.2181 1.3844 1.1661 1.0468 1.0819 1.3849 1.0332 1.4737 1.1016 1.1322 1.1151 0.9757 0.9942 0.9120 0.9646 1.2700 1.0086 1.0776 1.1675 1.2810 1.2386 1.5019 1.4013 1.2421 1.3068 1.4590 0.9706 1.0415 0.9565 1.3737 1.2181 1.1914 1.0698 1.0353
2-oxo-4-methylthio-butanoic acid 1.1890 0.9519 0.7167 0.5249 0.8084 0.7822 0.8521 0.5847 0.7233 1.3004 1.0125 0.4818 0.4936 0.8733 1.0036 2.1184 0.8369 1.2394 0.8068 1.5159 0.8247 0.8425 0.6611 1.2808 1.0717 0.5730 0.6688 0.6012 0.6489 1.3745 0.8786 0.7415 0.6150 0.7271 1.1910 0.7403 0.9496 0.8513 1.1667 0.8731 1.5752 0.8926 1.1076 0.6900 0.9583 0.8564 0.6158 1.1277 1.2981 0.9165 1.1842 0.6786 0.8814 0.7692 0.8900 0.8821 0.7688 0.9807 2.5760 1.8398 0.9520 0.7782 0.7194 0.8717 0.5160 0.6736 0.7786 0.8324 1.1383 0.6820 0.9991 0.9569 0.6761 0.7141 1.3687 0.9742 1.2566 1.2551 0.6288 0.7265 0.7978 1.0155 0.6129 1.2029 0.6198 0.7933 1.1437 0.7137 0.8088 1.2383 2.2822 1.5020 0.6552 0.5592 0.6293 0.8132 0.8487 0.5548 1.0658 1.0188 0.7840 1.2099 0.5414 0.9976 0.9345 1.6026 0.8401 1.1169 1.3907 0.6184 0.8907 1.1976 0.6622 0.6741 0.6666 0.9517 0.7477 0.5894 0.8010 0.6095 1.0254 1.5807 0.7498 0.9288 0.6925 1.0385 0.6816 0.9038 0.7418 0.9883 0.9785 0.6098 0.7511 0.9850 0.9944 1.1989 0.9627 0.9797 1.0072 0.8702 0.7121 0.8609 1.0458 1.6886 0.7831 0.7823 1.8578 1.1592
2-Oxooctadecanoicacid 0.5902 0.2203 0.9849 0.5493 0.7429 0.9232 0.4429 0.3408 0.6034 0.3037 0.9078 0.8857 0.1399 1.7620 0.4283 0.9292 0.1952 1.5607 0.3984 1.3730 0.1502 0.4115 1.0737 2.6493 0.7607 1.3384 1.1631 0.7278 0.4289 2.3059 1.4553 0.5057 1.4395 1.2717 1.0905 0.2581 1.3683 0.4574 1.0948 1.0530 0.6207 1.5025 0.8220 0.4354 0.7091 0.6847 0.9675 0.1882 0.3565 0.3359 0.9349 0.7265 2.1762 1.5369 0.5772 0.6568 1.5806 0.6432 0.2902 0.8659 1.4673 0.6589 0.5529 0.6340 0.5944 0.9282 2.0286 1.6108 0.6713 1.4616 0.8947 0.2954 0.7551 0.9228 0.9624 1.0135 1.1049 0.4643 0.3717 0.5262 0.5901 0.5907 2.4570 1.6106 1.2032 1.5172 0.2966 0.4659 0.5696 1.8063 1.3588 0.5747 1.2862 1.2674 0.7786 0.5668 1.2751 0.1405 1.2858 1.9343 1.1328 0.9360 0.9110 0.8853 0.8313 0.2239 0.7683 1.3079 4.4593 0.4616 0.5759 0.7279 0.1343 0.4894 0.7896 0.6922 1.8524 1.2857 1.4365 0.6915 0.3471 1.6866 0.9940 1.1453 0.2861 0.8744 1.0521 3.9566 1.3622 0.6870 1.5067 0.1806 0.6191 2.8874 0.4600 0.7104 0.5122 0.4830 4.3392 1.8305 0.8562 1.5120 3.2048 0.7526 0.0838 2.3306 1.3358 1.1009
(2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid 0.6821 0.4773 0.5601 0.6205 0.8923 0.9369 0.8944 0.4192 1.3723 0.5748 0.4739 0.5720 0.4013 0.4811 0.4876 0.9660 0.4734 0.6172 0.4212 1.1427 0.7746 0.7193 0.4526 1.3715 0.3909 0.8111 0.6042 0.8229 0.1916 1.7136 0.6368 0.4031 0.6432 0.4981 0.4873 0.4547 0.5546 0.4526 8.2397 1.4923 4.1383 6.8237 1.5848 1.3163 0.4345 0.6642 0.7121 0.9122 0.8978 0.8438 0.8136 0.5636 0.8973 1.3344 0.7635 1.2087 0.4229 0.6344 1.0600 0.4552 0.8790 5.3606 0.9045 0.5289 0.7499 0.8381 0.7351 0.9937 0.4842 0.0657 1.1163 0.9419 0.8934 0.5068 0.5989 0.8892 1.2350 1.3559 1.3040 0.6326 1.1215 0.2463 0.5953 4.8228 0.4472 0.2390 0.7662 0.1945 0.6357 0.9945 0.9506 0.3276 0.2383 0.2489 0.3771 0.1955 1.2223 0.5815 0.8996 0.7229 0.6634 0.1589 0.5393 0.5711 0.7623 0.8040 0.6223 0.3043 0.3441 0.5217 0.5449 0.8951 0.5579 0.7060 2.2869 2.4665 1.0302 1.8171 0.9903 0.9869 0.9348 1.0214 0.7885 0.4483 0.5443 0.4151 0.9366 1.7397 0.6698 2.4551 0.9464 1.0824 1.5958 0.6594 0.8530 2.3519 4.3436 0.0592 1.9535 1.2741 1.2461 0.9264 1.2247 1.2600 1.1078 1.3435 1.0270 1.2964
(2R_4S)-2_4-Diaminopentanoate 0.7950 0.8462 0.8728 0.8480 0.7904 1.3132 0.9412 0.5993 0.9954 0.7253 1.0161 0.7029 1.3626 0.9012 0.9937 1.0517 0.7600 1.5523 1.3949 1.1676 0.7034 0.8956 0.9500 0.8057 0.5407 0.6559 0.5601 0.9368 0.6520 2.0386 1.1850 0.8795 0.6605 0.8790 0.5783 0.7810 1.3799 1.0130 1.0167 0.9255 1.3111 1.5522 1.0988 1.1316 0.6729 0.5717 1.2469 1.3676 0.8612 0.7735 1.5640 1.5431 0.8611 0.7696 1.6033 1.6457 0.8054 0.9360 1.3255 1.0516 1.3763 1.5106 0.5943 0.6042 0.5765 1.0145 0.8237 0.7701 1.3196 1.0398 1.0897 1.1241 0.8441 0.7937 1.3619 1.4082 1.6288 1.2407 1.0571 1.0803 0.9639 1.2006 0.8167 1.5142 0.7457 0.9855 0.9784 0.9808 0.9580 1.5577 0.8896 0.9022 0.9267 1.2072 1.1893 1.7060 0.6605 0.6417 1.5263 1.0156 0.8548 1.0534 0.9050 1.2573 1.2748 1.3105 1.3017 1.0974 1.0119 0.8837 1.4461 1.5941 0.7580 0.6341 0.9766 1.4043 0.7210 1.2385 1.3192 0.6396 1.0909 2.0243 1.5116 0.5556 0.8808 1.1549 0.8929 0.6382 0.9718 1.4937 0.9200 0.7289 0.5048 0.8467 0.9164 1.0519 0.9259 0.9118 0.6296 0.6626 1.0595 0.6919 0.6556 1.4430 0.8697 0.8103 1.2166 1.0428
2S-amino-3-oxo-butanoic acid 0.5500 0.9638 1.5792 1.2789 0.1443 1.2353 0.6412 0.6468 2.2690 2.1136 0.3250 0.9898 2.2811 0.6572 0.7658 0.4972 1.2975 0.3928 1.2490 0.3842 0.6170 0.4929 1.3857 0.4868 1.2095 0.4344 0.4548 0.6817 0.6934 0.2953 0.4682 1.0891 0.3277 1.0279 0.6613 0.4677 1.4045 2.0612 0.7341 0.8583 0.6516 1.0966 2.2267 2.6944 1.1111 0.6206 0.6615 2.1519 0.6956 0.3996 1.1513 6.4999 0.3575 0.5397 2.6412 2.3657 0.3446 0.4684 0.5541 0.8779 0.3306 1.1217 0.2711 1.3228 1.6783 1.0845 0.4074 0.3704 0.7025 2.2947 0.3784 0.3167 0.7203 0.5242 0.7035 0.9845 0.2331 0.4895 0.3793 0.5014 0.7479 1.7805 0.2641 8.1464 0.5545 1.4402 0.3922 0.4964 0.9111 0.4139 0.5473 1.0451 1.3817 1.5186 0.4472 1.3863 0.7508 0.9663 0.7445 0.6377 0.8532 3.6986 1.4090 0.8806 1.3610 0.4333 0.6302 0.5752 1.4694 1.4174 1.0990 0.9655 0.8243 0.9240 0.5339 0.4901 0.6716 2.1015 1.1197 1.1251 4.9739 0.5967 1.0193 0.6406 1.0657 1.3969 0.9800 2.3681 0.5863 2.7184 2.2432 2.6891 1.0023 0.5013 0.9917 0.4867 0.6016 0.6753 0.9918 0.7011 1.3280 1.2373 0.7663 0.7126 0.5341 1.0967 0.6979 1.2923
3,5-cholestadien-7-one 0.4916 0.8022 0.3954 0.6575 1.5372 1.1431 1.0909 1.6390 1.1177 0.9676 0.4258 0.7463 0.6038 1.2776 2.5737 1.4764 0.2242 0.9418 1.0591 1.2693 1.3586 1.6053 0.7529 0.7048 0.5639 2.7642 1.4895 0.8143 0.8426 1.2647 1.3290 1.5913 1.4187 0.7747 1.4240 1.4111 0.2893 0.5677 0.2673 0.3351 3.2683 2.6801 0.3771 0.4327 0.5374 0.4492 0.7216 0.3570 1.1569 1.0047 2.7170 1.2310 1.4235 0.9082 2.5568 2.3767 1.6799 1.2940 0.3722 0.5685 1.4476 2.4356 0.3005 0.5650 3.3835 1.8555 0.9983 1.1484 0.8169 0.2295 0.7473 0.9804 1.0091 0.8545 0.4781 0.7911 2.4577 2.1506 1.4320 0.4884 1.7063 2.3958 0.9840 4.1682 0.8183 0.9789 0.8930 1.0461 0.7453 0.9630 0.7866 0.3878 1.3922 1.0994 0.5164 0.8889 1.5594 1.0664 0.9418 0.6836 0.6670 1.1361 0.6711 1.8637 0.9231 0.3130 0.4400 0.9997 0.7574 0.4160 0.6058 0.8280 0.6504 1.1606 0.9466 0.9947 1.0353 1.7854 0.8313 0.3612 0.3053 0.8169 0.6592 0.4767 0.4098 0.2799 1.5418 0.9099 0.8091 0.3951 0.4820 0.8143 1.2490 1.3721 1.0418 0.9226 1.1699 0.5964 1.0424 0.2391 1.1789 0.6207 0.3373 0.2532 1.6405 1.2451 0.8832 1.0413
3,6,9,12,15,18-Hexaoxaicosane-1,20-diol 0.0835 0.0555 2.0386 2.1246 1.2277 1.3024 1.2305 1.0295 1.0309 0.9748 1.0354 1.1296 1.3136 1.2044 2.4126 1.6431 1.1482 1.7092 1.4878 1.2185 1.2717 1.6827 1.2255 1.4980 1.3546 1.2874 1.0451 1.7124 1.6088 1.6050 1.5765 1.0586 1.8185 1.6431 1.7205 1.2277 1.5107 1.5957 1.4320 1.3315 0.1057 1.4248 2.1603 1.7910 1.3824 1.6370 1.5328 1.5074 1.2515 1.1156 1.3048 0.0294 1.4750 1.1903 1.8592 2.1418 1.6190 1.0778 1.0019 1.6433 1.6804 1.4310 1.4875 1.1254 1.4225 1.6940 1.1149 0.0558 1.2872 1.2100 2.1660 1.4094 1.7180 1.3384 1.4051 1.2775 1.4455 1.6910 1.7639 1.4010 1.1392 1.0536 0.9561 0.0149 1.0546 0.0099 1.6553 1.3696 1.0748 1.2376 1.6554 1.0176 2.5809 1.4516 1.4893 2.2223 2.2534 0.9870 1.4126 1.5014 1.7974 1.7006 1.9564 1.1525 1.2531 1.2799 1.2499 0.1524 1.7026 1.1864 1.0900 1.3423 0.8870 1.2552 1.6885 1.6865 1.9927 1.1975 1.2556 1.2796 1.8649 1.9084 1.7458 1.2397 2.0217 0.0205 0.0088 0.0292 0.0378 0.0096 0.0156 0.0239 0.0060 0.0109 0.6340 0.0070 0.0036 0.0318 0.0065 0.0022 0.0091 0.0107 0.0272 0.0443 0.0047 0.0029 0.1183 0.0551
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid 0.4259 0.4391 1.8441 1.2985 0.2120 0.1593 0.9963 1.4136 0.1960 0.1321 1.0341 0.1388 0.3866 0.1487 0.1343 2.4405 0.1570 0.5671 0.4106 0.5520 0.1876 1.5798 1.6298 0.7488 0.3690 0.1468 1.0204 0.1325 0.6218 0.3092 0.1394 0.8279 1.1327 0.6558 0.1754 0.7804 0.3580 1.2341 2.4237 1.6104 2.1006 1.2460 1.1349 1.4551 0.1329 0.1650 0.3823 0.4622 0.1264 0.1131 4.8463 1.8661 0.9556 0.5092 1.8267 1.5245 0.1289 0.1447 4.1381 0.8133 0.3054 0.2047 0.1533 0.1517 0.2501 0.1268 0.1259 0.1500 3.9164 4.0011 0.1553 0.4661 3.5623 0.4994 0.8710 0.5777 0.3874 0.5809 0.1615 0.3076 0.4714 0.6968 0.1174 0.8761 0.1187 0.1193 4.2617 1.0278 0.4017 0.2644 0.1162 0.1078 0.6121 0.3260 0.1576 0.3110 1.3644 0.7178 2.0737 0.7913 0.6706 0.3658 0.1273 0.6418 2.3539 0.1844 0.4219 0.2605 0.7517 0.3866 0.2151 1.1348 0.1445 1.1569 0.1106 1.1987 0.3083 0.1129 1.1069 2.5823 0.1577 2.4239 0.6999 0.1482 1.3559 0.9525 0.2868 0.3418 0.1204 25.7564 0.5968 1.6431 0.1642 0.1537 2.6949 1.1278 0.4947 13.9163 3.0710 1.8244 0.1462 2.2423 0.3150 1.0291 0.2901 0.8447 0.5598 0.7555
3-Dehydrocarnitine1 0.2830 0.0909 0.1355 1.2298 0.2190 0.0543 0.0321 0.0267 0.0780 0.1521 0.7045 1.9526 0.2693 0.0235 2.4368 0.4555 0.0479 0.1196 0.1960 0.3901 0.7213 0.0643 0.2659 1.3479 0.8943 0.7321 0.1844 0.1483 0.1296 0.2850 1.3892 0.4575 0.1990 3.6839 0.3813 3.4270 0.3742 1.2653 0.2097 0.5386 4.1741 1.2098 2.6888 0.6603 1.2323 0.3165 0.1575 0.1447 0.2041 0.5742 0.1709 0.0342 6.4882 0.2514 4.8105 0.4566 0.2683 0.2547 0.1140 0.3075 0.0445 0.3411 0.1671 0.0190 0.0325 0.0708 0.2402 0.2472 0.3176 0.4084 0.3631 1.3867 0.9539 0.4582 3.4422 0.7723 0.2596 0.7297 0.2107 1.8475 0.1081 0.1486 0.0525 0.5046 3.4887 0.1254 0.4821 0.1041 2.2735 0.0426 0.2024 0.0754 0.1411 1.7350 0.9582 0.2264 0.0935 0.0793 0.5667 0.2461 0.2874 0.0818 0.7019 1.0772 1.1960 0.0512 0.0349 0.6995 0.0231 0.2101 0.2776 1.0222 0.4655 0.1012 0.9168 1.4508 2.9824 0.4258 0.1398 0.2693 0.4343 4.8556 0.3350 0.7352 0.8590 0.0618 0.9235 0.8831 5.8937 0.9507 0.4899 0.3976 0.0526 1.0563 0.5591 0.0772 5.4672 2.6780 0.4634 1.5314 1.7516 0.4407 0.7617 0.5148 0.5720 0.7719 2.6321 1.6092
3-Dehydrocarnitine2 1.8450 1.4104 0.1411 0.5617 0.7784 1.1054 0.0936 0.2210 0.7035 0.9778 1.5337 0.0924 0.2805 0.3841 0.5194 0.6395 1.2728 0.8146 0.6851 0.9161 0.6222 2.4031 2.4123 2.7461 2.9798 0.5368 0.2239 2.6715 3.9100 0.6187 0.7284 0.5791 0.1844 0.1066 0.2298 0.1229 0.3191 0.2451 1.7999 1.0831 1.9032 2.8079 2.5107 2.9156 7.4341 6.6519 0.1013 0.0994 0.2764 0.3685 0.7267 0.6423 0.2146 0.1319 1.2422 0.8320 0.5452 0.1990 0.1016 0.2764 2.0054 2.2874 0.1585 0.1038 3.4565 4.0263 1.0176 0.7059 0.3054 0.4450 0.4413 0.2427 0.1253 0.4532 0.0400 0.3065 1.1709 0.7931 0.5067 0.4606 0.2991 0.2608 0.4631 0.9734 0.3462 0.5275 0.0820 0.3959 0.2974 0.7178 0.0904 0.0996 1.3998 1.5006 1.8735 1.4889 0.2603 0.1065 1.0705 0.6488 0.5110 2.8111 1.4071 0.1872 0.2104 0.9279 1.2778 0.4458 0.1608 1.5368 0.5124 0.0919 0.5720 0.2360 2.9752 0.5942 0.1009 1.6969 0.1023 2.0495 0.8457 0.7771 1.6821 3.8224 0.2320 1.9359 0.4236 0.7697 0.2895 1.3992 0.1517 0.4463 0.3536 5.3657 0.0801 1.3187 2.1554 2.2846 0.4021 3.3751 0.5170 0.4959 3.1041 1.2812 4.6644 3.7587 0.5798 1.0978
3-Dehydroxycarnitine1 1.1716 0.7686 1.1260 0.6188 1.0726 1.1917 1.3539 1.3892 1.0757 0.9400 1.2741 0.9592 1.0414 1.1504 0.6039 0.8280 1.0127 0.6856 1.3977 0.9466 0.6490 1.5523 1.7615 0.7475 0.9929 0.5132 0.6024 1.5230 1.2177 2.0152 1.7815 1.3083 0.6411 0.3423 1.2055 1.3106 1.0525 1.2290 1.2540 1.2209 0.2209 0.2372 1.5752 1.4133 1.0162 1.6451 0.7749 1.1970 2.0284 0.8361 1.8180 1.1273 0.9579 1.3110 1.2618 1.1382 1.5969 1.1366 2.6320 1.5368 1.4241 1.4593 1.0193 1.5806 1.3928 1.3967 0.7683 1.2779 1.7489 0.7929 1.2742 0.5521 0.5768 0.2797 0.5174 0.7522 1.1659 1.3943 2.3051 0.9075 1.3021 2.0564 0.7215 1.2510 0.4703 1.6112 1.5403 1.2741 0.7783 1.5506 1.0919 1.1387 1.1637 0.5628 1.0729 1.2988 1.2691 1.0742 0.9554 1.3931 0.6787 1.1442 1.4920 0.7840 0.7755 1.0636 0.9901 0.9447 1.0236 0.9386 0.8923 0.6574 0.9303 0.9380 0.6231 0.7941 0.5172 1.2591 2.5267 0.8555 0.9602 0.9446 0.8937 1.4577 1.5909 1.6694 1.2392 0.3327 0.4094 0.7777 1.9388 1.1973 1.2549 0.5551 1.1608 1.8589 1.0007 0.6389 0.5892 0.6048 0.9085 0.6565 0.4849 1.1705 0.7995 0.4702 0.6793 0.9061
3-Dehydroxycarnitine2 0.0209 0.5406 0.7658 1.3971 0.0988 0.6561 0.0159 0.4241 0.0815 0.1861 0.1135 0.1563 0.9084 0.0769 0.1631 4.7147 0.0499 1.3559 0.5656 0.0305 0.2564 0.0158 0.3732 0.4391 0.1878 0.0903 0.4650 24.0636 0.3889 0.2841 0.2693 0.2637 0.6303 0.5379 0.0565 0.3278 0.7826 0.3850 3.1418 3.0672 6.3119 9.1190 1.4697 0.8428 0.0670 0.2067 0.0488 0.7991 0.1997 0.1788 0.4950 0.6375 0.0378 2.4915 0.4723 0.6928 0.1652 0.4296 0.2951 0.7715 1.2195 0.3068 0.1509 0.1674 0.1210 0.3548 0.2724 0.4302 0.5489 1.4475 0.2413 0.0182 0.0355 0.5233 2.4105 0.4439 0.2663 0.0496 0.4919 0.3115 0.1475 0.1902 0.0149 1.2294 0.0232 0.6751 0.0169 0.0196 0.5080 0.0685 0.0205 0.0585 0.3309 0.2323 0.0824 0.4620 0.0189 0.0175 1.1289 0.2003 0.6380 0.5744 0.4872 0.2039 0.2750 0.0164 0.1044 0.0146 4.9289 2.0486 0.6909 1.3002 0.1053 1.8765 0.1585 0.5816 0.2488 0.0791 0.0165 0.0170 0.0176 1.2885 0.4717 0.0187 24.9445 26.4179 0.1291 0.6123 0.0168 2.3440 0.1605 3.2073 0.2121 0.1870 0.4109 0.4451 0.2237 0.5535 0.2239 1.4431 0.0202 0.5000 0.1972 0.2685 0.1962 0.6672 0.3101 0.3455
3-Dehydroxycarnitine3 0.9878 0.5475 0.9998 0.6562 0.4245 0.9551 0.4711 1.0747 1.1558 0.9535 0.9510 0.4811 1.5328 1.0255 2.1630 0.6520 1.4674 0.8576 0.4948 0.8376 0.8680 0.5628 1.2664 1.0869 0.4906 0.7830 0.5050 0.6618 0.5212 1.1696 0.9448 1.3099 0.9756 1.4292 1.0541 1.2971 1.0924 0.9357 2.2942 0.8211 0.7107 0.9798 0.4130 0.5787 0.5341 0.6487 0.8642 0.6378 0.5219 1.5082 0.9830 0.5557 0.5800 1.3840 0.9245 0.9565 0.9144 1.0754 0.3327 0.4872 0.9942 1.2164 0.9289 0.7846 0.6843 0.9788 0.7225 0.3999 0.5404 0.8536 1.1177 1.0457 0.8333 0.7028 0.6958 1.3900 1.2778 1.0285 1.0529 1.6047 1.5124 2.5299 1.4837 1.3783 0.7886 1.0987 0.7852 1.0345 1.1423 1.6307 1.5178 0.7778 0.6416 0.4974 1.1213 1.5648 0.5602 0.4279 0.8100 1.1415 1.2141 0.6469 1.2614 1.0466 0.7294 1.4417 1.0445 1.1068 1.1150 0.8232 1.4939 0.9188 1.3422 0.4770 1.6042 1.6386 1.0692 1.9066 3.1295 1.0774 1.0951 1.7532 0.8282 0.6524 0.3989 0.6575 1.7001 1.0129 0.7891 2.0528 0.7615 0.7981 1.1660 0.8943 1.5375 1.5784 1.9192 1.2801 0.7396 1.2234 1.5517 1.2286 1.0518 1.3200 1.6576 0.8017 1.0730 1.5329
3-Deoxyvitamin D3 0.6357 1.3955 0.8002 1.7273 1.0142 0.5872 0.6998 0.7506 1.0720 0.4805 2.5681 1.9295 0.7180 1.7256 0.6214 1.0051 1.2860 1.4781 1.4041 0.2586 0.8578 0.7567 0.9602 1.3226 0.6437 1.7933 0.8185 2.4791 1.2953 1.2961 1.4701 1.3560 2.1812 1.6584 1.6068 1.1211 1.0082 1.3520 0.9140 1.5087 1.2461 2.0767 1.7026 1.7115 1.6691 1.0360 0.7384 0.4920 0.8606 0.4931 1.4071 1.3749 1.2623 1.5256 1.4346 1.3363 2.3436 1.4473 0.8468 1.6987 1.4188 1.1353 2.0395 1.9450 1.1138 0.7789 1.0833 1.6947 1.3606 0.5256 1.1153 0.7192 0.8346 1.5596 1.3865 0.3660 1.4301 2.3266 0.9964 0.4865 0.4291 0.2739 0.3914 0.3408 0.2225 1.7966 0.2485 0.8973 0.2015 0.4418 0.6497 0.9234 0.5808 0.4521 0.2292 0.4466 0.5864 0.6368 0.1509 0.1736 0.5305 0.3018 0.1959 0.2166 0.7231 0.3487 0.2389 0.2490 0.8411 0.7955 0.3293 0.6861 2.2976 1.1226 0.9248 0.1685 1.2294 0.3338 0.9224 0.7123 0.9785 0.2947 0.3844 0.7331 1.0345 0.9626 1.5592 1.6800 1.1235 0.3660 0.4179 0.5935 0.2402 0.4450 0.3026 0.2527 0.1747 0.5865 0.8379 0.2744 0.5013 0.1392 0.9942 0.1049 0.2451 0.6327 1.7816 0.8172
3-Hydroxy-2-methyl-4-pyrone 1.2540 0.9264 1.4680 0.6866 2.3614 0.9927 0.7524 1.1311 0.8154 0.7572 1.0192 1.2318 0.8955 0.7516 0.7836 0.6924 0.6186 0.9207 0.7578 0.7692 0.7793 1.0470 0.9167 0.5696 0.6804 3.5006 0.9755 0.7794 0.5240 0.9288 0.6517 0.7648 0.8054 0.5894 5.1346 1.7172 0.6993 0.6939 1.1462 0.7483 0.7810 0.6646 0.6940 0.7281 0.6516 0.7391 0.8826 1.2569 0.7181 0.6347 0.9053 0.8066 0.6015 0.6070 0.8419 0.7479 0.6112 0.5171 1.7748 0.6804 0.7831 0.6240 0.8391 0.6788 0.9015 0.8763 0.9437 0.6359 0.7869 0.9012 0.5620 0.5536 3.8506 0.6094 0.7956 0.5520 0.8742 0.5424 0.7868 0.7238 1.0696 1.6402 4.8953 0.6813 1.7468 1.0027 1.0767 4.4676 0.6929 2.1703 0.7871 0.6983 1.5141 0.6732 1.4478 1.3525 1.6728 0.9476 0.9646 1.3897 0.7657 1.3467 1.5188 0.7962 0.7187 1.8152 1.7256 1.0834 1.0591 0.7776 1.2231 0.3949 1.5735 0.6843 0.9348 0.8480 0.9946 0.6963 1.5132 0.8110 13.4749 0.7369 0.8411 1.1597 0.7339 1.8744 0.8613 0.8682 0.5576 1.2168 1.4686 0.9076 1.4876 0.7234 0.6523 1.3492 0.8281 0.8063 0.7452 1.1334 0.5908 0.8626 0.8012 1.0895 0.8138 1.0815 0.3589 0.8439
3-Hydroxy-2-methylpyridine-5-carboxylate 1.2703 1.3785 1.0078 0.6040 0.8372 1.9631 1.4449 0.1623 1.0711 0.1164 2.3879 0.7377 0.1021 1.2971 0.1680 0.9687 3.7615 1.5844 3.7217 0.5359 0.3220 1.7327 0.5827 2.0011 1.0646 0.8395 1.3849 1.9742 1.4370 1.9088 2.8904 0.6304 0.5413 0.4644 1.2375 0.5030 1.3154 0.2955 2.2185 3.4674 1.7561 0.3648 1.0338 2.4334 2.5498 1.4858 0.5675 0.5505 0.8372 0.9840 1.3092 1.8678 0.5678 0.7429 4.3069 4.6789 1.0821 0.2512 0.2530 0.8517 1.4821 0.2423 1.1621 0.2721 0.6287 1.5624 1.1485 0.4941 1.4652 0.4008 1.0579 0.3010 2.1365 0.4168 0.7218 0.2411 2.4524 0.6301 0.8086 0.1318 0.9225 0.1888 0.4381 0.4219 0.4592 1.1944 0.2765 0.6942 0.6367 1.0868 0.8347 0.9998 1.1371 1.2418 0.5455 0.5238 0.5196 0.7138 0.5388 1.7011 0.5313 4.8615 0.1285 0.2279 0.4873 1.3278 1.3527 1.0311 0.2629 1.1643 1.4987 0.1362 0.4465 0.9721 0.7493 0.4566 0.5978 0.6744 1.0927 0.2628 0.5992 0.9155 0.9962 0.6046 1.0206 1.8638 0.8188 1.6332 0.5567 0.8399 0.6837 0.8974 0.4181 1.4568 0.8617 1.4404 0.4627 2.6616 1.3254 0.2095 0.8333 0.4890 0.8235 0.8735 0.5552 1.5607 0.8650 0.7408
3-hydroxy-2-N-iso-butyryl-anthranilamide 0.5571 0.2626 0.3284 0.0321 0.7899 0.5863 0.0647 0.0318 1.8886 2.5659 0.2610 1.8732 0.7594 0.1151 0.5565 0.6600 0.0559 1.0452 0.2867 2.2348 2.2311 1.9406 0.1803 0.0617 0.0665 0.4365 1.5949 2.5100 2.0536 1.6168 0.7709 0.0322 1.7939 0.3767 3.0636 1.8621 1.3673 0.8626 0.1678 0.1176 0.5437 2.0665 1.5870 0.7997 0.0862 0.3275 2.7695 2.0831 2.0029 1.0848 0.1129 0.0626 1.7895 1.3292 0.3852 0.1813 2.6861 1.4920 0.4363 0.3381 2.0424 1.7892 0.0838 0.0375 0.0327 0.1109 2.1759 1.9374 1.8231 2.0163 0.4478 0.2355 0.0383 0.0678 0.0565 0.2148 1.3387 1.0657 1.7902 0.6545 0.3220 0.3395 4.0601 0.2417 2.8059 0.4117 2.4162 3.3853 0.1395 0.1492 0.2510 0.0510 3.5574 1.9310 3.2407 2.7245 2.9459 0.4436 0.2659 3.1191 2.3913 3.7555 2.6716 0.3336 0.2099 3.2405 3.3116 3.9026 2.0690 0.1634 0.0723 1.5500 0.0295 0.1645 2.9413 0.1293 2.0947 1.8878 0.0898 1.6485 2.5056 0.0899 1.7476 1.6500 0.0875 0.3099 0.5290 0.4531 0.6022 2.1502 0.1171 0.3637 0.2607 1.3117 0.8667 0.5155 0.1298 1.5337 3.2500 2.9928 0.5968 1.5850 2.9736 0.1600 0.2224 0.0717 0.2139 0.3825
3-Hydroxycyclohexanone 3.6030 3.3030 0.6208 0.5425 0.1473 0.6950 0.1625 0.3448 0.3979 0.1734 0.9788 0.4337 0.5961 1.0507 0.1234 0.6842 0.5108 1.5256 1.5799 0.4523 0.6032 0.7628 1.0238 0.3161 0.3779 0.3339 1.8422 1.3018 0.7076 0.5740 0.9956 0.5745 0.3566 0.2443 0.9505 1.3477 0.6484 0.3031 1.6140 0.8385 1.0854 1.3980 1.0417 1.1311 0.8591 0.6098 0.3645 0.3294 0.3433 2.3919 0.5813 0.9779 0.4828 0.4211 1.6488 1.7703 1.2882 0.9471 0.5999 0.8553 0.9779 1.3570 5.5135 0.9145 0.5736 0.6948 0.9394 5.8468 2.5585 0.7902 1.3004 1.7783 0.6598 0.7409 2.3961 1.1677 1.1471 0.8728 2.5091 0.9347 0.3233 0.6466 0.1304 0.8903 0.4423 0.3799 0.3125 0.6139 1.3206 1.7010 1.0291 1.0507 1.4902 1.2907 0.8062 0.3945 0.7047 0.7506 1.7519 0.6418 1.3362 1.4308 1.4652 2.1185 0.9220 1.1609 0.2805 0.5389 0.2858 0.7079 0.4841 1.3890 0.3043 0.6537 0.9245 0.7444 0.9271 0.8658 0.9411 0.4752 2.3323 1.9923 1.2649 0.7883 1.1889 1.1695 0.3154 0.3465 0.2856 1.3469 0.3485 0.5704 4.2608 0.2866 0.5936 4.2083 0.7458 0.3831 5.0204 0.2838 0.6450 0.9621 0.5516 1.5128 0.6239 0.5642 0.9584 1.1999
3-hydroxy-N-(1-hydroxy-3-methylpentan-2-yl)-5-oxohexanamide 1.2179 0.9933 0.8741 0.2683 0.6834 1.5779 1.0593 0.6071 0.6786 0.3273 1.1398 0.5284 0.4854 0.7909 0.2475 1.3698 0.3490 1.0206 0.4849 0.9230 0.5413 1.0118 0.7200 1.2142 0.4576 0.9207 1.2919 1.3300 1.4883 1.6801 0.9266 0.8658 1.7364 0.8587 2.2268 0.2914 1.1217 0.4370 0.8925 0.6260 1.5120 1.4875 0.6873 0.5266 1.3765 0.4485 0.6876 0.2679 0.8120 0.2835 1.3207 1.2657 0.7092 0.6409 1.9433 1.0621 0.7360 0.5019 0.9690 0.5699 1.3126 0.4294 0.8499 0.5866 0.6047 0.3798 0.9249 0.8504 0.8904 0.5040 0.6221 0.7875 2.0835 0.4575 1.1833 0.9770 1.1238 0.7135 0.4885 0.4554 1.1819 1.2357 1.5804 1.5448 1.2642 0.5369 0.6704 1.4728 0.7207 1.5523 1.5143 1.1066 2.9567 1.7235 1.0168 0.7062 0.7779 0.8786 1.2748 2.3227 1.0348 1.7399 0.8029 0.8143 0.4438 1.3399 0.9283 2.3912 0.7001 2.2203 0.8185 0.9052 0.3748 0.6547 1.3810 0.8452 1.7449 1.2487 1.0967 0.9837 2.8088 1.6074 1.3079 0.7790 1.0204 0.9430 1.1972 0.5949 0.4964 1.1659 1.0727 1.3343 0.8537 0.9927 1.7275 2.4033 1.1434 1.1211 1.0161 0.7771 1.0142 0.8128 0.5573 2.4094 1.0583 1.1851 1.1944 0.9421
3-Indoleacetic Acid 0.7992 1.1609 0.6895 0.6610 0.7063 1.0100 0.7974 0.9903 0.5761 0.6670 1.2944 0.3007 1.9084 0.4511 0.5869 0.7222 0.6633 1.0862 0.8740 5.2124 1.2862 1.3834 0.9698 0.1757 1.0741 0.4691 0.7851 0.4401 0.8212 0.6286 0.6198 1.4945 0.2285 0.2961 0.9818 0.8272 0.4538 0.5582 0.9208 0.6039 0.7558 1.1813 0.4820 1.1612 1.1092 2.6391 0.4114 0.0727 0.8233 0.9851 1.4229 1.5639 0.9569 2.8733 1.0586 0.8867 1.1220 4.9762 0.1452 0.1711 1.1281 1.0035 0.3192 0.3157 0.3689 0.3113 0.8966 0.6174 0.6010 0.4226 0.7376 0.8700 0.5212 1.7558 0.7028 0.6719 0.8703 1.7936 0.2650 0.8194 1.1068 1.4716 0.5699 1.0615 3.4312 1.2577 0.7639 0.8423 0.8532 0.6434 0.4185 0.7011 0.9274 0.8754 0.5869 0.9482 0.3707 0.9996 1.0103 0.8112 0.8396 2.7066 0.5680 1.3681 2.2238 1.0378 1.0877 0.7435 0.9026 1.0942 0.9720 1.5326 0.6878 0.9135 0.9748 0.5144 0.5515 3.1870 1.1443 0.5375 0.5882 0.9308 1.1838 1.1016 0.7846 0.6295 0.5534 0.4149 0.2364 1.3237 1.7969 2.0364 0.4646 1.0349 1.8590 2.0156 1.0662 0.8545 6.4219 1.1148 1.0719 0.6505 0.9998 1.2617 1.0739 0.5730 1.1171 1.0220
3-Methoxy-1-methyl-4(1H)-quinolone 0.2613 0.2097 0.3127 0.5182 0.4668 0.2109 0.1415 0.5589 0.0885 0.1650 0.7076 0.0710 0.5391 0.3346 0.4425 0.3345 0.3923 0.5376 0.3685 0.8409 0.6027 0.4354 0.8638 0.4032 0.1473 0.2339 1.1098 0.1325 0.1178 0.2159 0.0842 0.7231 0.1668 1.6515 0.8213 1.1299 0.9719 0.5577 0.5157 0.4405 0.2098 0.5088 0.7849 1.1812 0.4800 0.0689 0.3081 0.1881 0.6341 0.1497 0.4913 0.8903 2.6382 0.3903 0.1829 0.2428 1.5956 0.9841 0.1421 0.1726 0.8333 0.4205 1.2764 0.0772 0.4042 0.0807 5.7913 0.7095 1.1552 1.1195 1.8118 0.6054 0.5890 0.7624 0.3931 0.9626 0.8023 0.8683 1.4132 0.5199 2.0768 1.1344 0.5905 2.3967 0.3522 0.5946 0.6959 1.1022 1.0024 0.8420 0.5026 0.5157 1.1256 0.7948 0.4810 1.0438 0.5490 0.5146 0.7626 2.5728 3.0625 0.1747 0.5379 1.4038 4.5055 0.6935 0.7905 1.1560 0.2901 0.6746 1.3580 0.8723 0.6979 0.2521 0.8349 3.9705 0.6053 1.5778 0.6726 2.0404 0.2017 2.3259 1.7736 5.3143 0.1068 0.6291 0.8014 1.2010 0.7898 1.5211 0.9882 3.1024 0.8992 2.1666 2.9239 1.5543 1.7004 8.4411 2.1549 7.6850 0.8588 2.2764 0.7092 7.3975 1.4579 2.1453 0.7604 0.8672
3-Methyl-quinolin-2-ol 0.9744 0.8841 0.9631 0.6102 0.8491 1.3600 1.2129 0.8714 1.1022 0.9592 0.4525 0.6745 0.7952 1.0745 0.6948 1.8761 0.9114 0.4355 0.9489 1.1263 1.4591 1.2542 1.3792 0.9376 0.8790 1.2380 1.4454 0.9902 0.7695 1.3891 1.1409 0.8259 1.1279 0.7491 0.6324 0.6658 0.6702 0.7245 0.9660 0.9188 0.9325 0.6687 1.0667 1.0888 1.2756 0.9432 1.0745 0.9933 1.5288 1.5432 0.8448 0.8404 1.3688 1.0926 1.3793 1.2063 0.7831 0.5860 1.3461 1.2321 1.1644 0.9682 1.0289 0.6317 0.9117 1.0338 1.0452 1.0093 1.2410 1.1347 1.0716 0.9398 1.8010 0.8198 0.9155 1.5360 1.2865 0.9656 1.1527 1.1570 1.1769 1.0982 1.1611 1.5712 1.2301 0.2569 1.2651 1.3021 0.9649 1.5564 1.1091 1.2333 0.9804 0.9212 1.0898 1.0849 1.1052 1.0803 0.9850 1.0232 1.0826 1.3261 0.6242 1.0581 1.3122 1.2901 1.1607 0.9691 1.0037 1.0204 1.1239 0.7454 0.4563 1.0604 1.0443 1.0670 0.8290 1.2140 0.5475 1.2077 1.2726 1.4898 1.0865 1.3404 1.5590 1.1221 1.2432 0.6158 1.2289 1.3279 1.1891 1.1208 1.2287 1.4235 1.3741 1.4170 1.3066 1.3975 1.0008 1.2206 1.0309 1.3912 1.1515 1.0969 1.3253 1.2045 0.8569 0.6456
3-Oxo-5beta-cholanate 1.3377 0.9459 1.3732 0.1529 0.4444 1.1564 0.5077 0.1520 0.1879 0.7014 0.3232 0.6654 1.8883 1.3413 3.8366 0.2614 0.5608 1.5071 0.3848 0.9514 1.9417 3.0807 3.1950 0.1309 0.6024 0.9994 1.0858 0.3808 0.7106 1.2481 1.1063 0.8288 0.5888 1.5050 0.2944 0.1240 0.2422 0.3338 0.7918 1.3510 1.8127 7.2759 0.1847 0.6483 1.6337 0.7838 0.8337 0.3144 1.0961 5.1397 1.1355 1.1151 0.2015 0.6355 1.2866 1.4309 0.2095 1.5422 0.1498 0.1231 4.0529 0.3994 0.5039 0.2659 0.1083 0.2340 1.0932 0.1794 1.6369 0.5939 0.2718 0.2641 0.4723 0.5601 0.3478 1.5218 0.6454 0.6005 0.5426 18.7475 0.7516 0.9028 0.2240 1.9623 0.7664 0.3485 0.2862 3.3856 4.3198 1.4562 0.3965 1.0977 0.2820 0.7218 1.3799 0.6502 0.5781 1.6210 0.5089 0.9241 0.5155 0.1230 0.4625 0.8987 0.1407 3.3059 0.4897 0.6229 1.2764 0.5030 1.5971 1.6879 0.3235 1.6125 1.4739 0.7125 1.6100 0.3903 3.4054 0.1317 0.8922 1.6940 0.4977 0.9914 0.2158 0.3235 0.1437 0.2052 0.4253 1.1477 0.5127 0.2181 0.1855 2.9332 0.4151 0.9372 1.1787 0.2118 0.4461 0.1786 0.8732 1.5445 0.7066 1.6772 0.2801 0.1713 0.5194 0.9559
3-Phenylpropionitrile 1.0431 0.8699 0.7491 0.5925 0.9087 1.3844 1.2792 0.8204 0.9960 0.9893 0.9102 0.8765 0.9004 0.4808 0.7978 1.8419 0.8313 0.4760 1.0048 1.2483 1.5011 1.2763 1.3668 1.0985 0.9556 1.2186 1.5004 1.0854 1.0493 1.5326 1.1438 0.7757 0.8993 0.7579 0.9200 0.6444 1.2902 0.8843 0.9269 0.9535 0.9333 0.7279 1.2007 1.2072 1.3773 0.9617 1.1231 0.1154 1.6269 1.3378 0.9048 0.9273 1.4419 1.0582 1.3153 0.3760 0.7933 0.5587 0.8106 0.3472 1.1457 0.8598 1.0771 0.8818 0.9677 1.1805 1.2453 1.0887 1.1959 1.3633 1.1315 0.9580 0.5441 0.8243 1.0860 1.6551 1.3083 1.0328 1.2818 1.3294 1.2246 1.0983 0.4474 1.8062 1.2405 0.5726 1.4305 1.2628 1.1176 0.7571 0.1861 1.2259 1.0984 0.7833 1.2511 1.1371 1.2428 1.1077 1.0423 1.2224 1.1255 0.5695 1.1496 1.2512 1.4380 1.3396 1.2596 0.9997 1.0255 1.1796 0.3282 0.8081 0.4371 1.1196 1.1369 1.1196 0.8520 1.2414 1.0576 1.0633 0.6791 1.5935 1.2573 1.3719 1.6704 1.1653 1.2453 1.0389 1.1735 1.3916 1.2964 1.1290 1.2872 1.4504 1.4711 1.4805 1.3478 1.5715 1.1862 1.4306 1.1040 1.5377 0.3917 1.2560 0.9725 1.2093 0.8818 0.8813
(3S)-3_6-Diaminohexanoate 1.2113 0.9406 1.1902 0.7497 0.8985 1.0697 1.2646 0.9054 1.1125 0.9829 1.0551 0.9018 0.9020 0.9409 1.1821 1.0509 0.9153 1.3553 1.2834 1.3580 1.1997 0.8840 1.0313 0.9363 0.9040 1.2725 1.1043 1.0329 0.7749 1.2653 1.0735 0.9590 1.0378 0.9134 1.0258 0.8892 1.0827 0.8286 1.2697 1.4576 1.0732 0.8344 0.9605 1.0218 1.0727 0.7657 1.2588 1.1458 1.4855 0.9361 0.9178 1.0371 0.9981 1.0469 1.2432 1.2468 1.0184 1.1074 1.5694 1.1989 1.3076 0.9387 0.9529 0.6160 0.6958 0.7659 1.1371 1.0761 0.9739 0.7747 1.0035 1.0232 1.1174 0.9859 1.0356 1.0089 1.1952 1.2750 1.0085 0.8628 0.8958 1.2622 1.2769 1.1168 1.0723 1.1175 1.1554 1.1523 0.9462 1.3752 1.0467 1.1468 1.1764 0.9481 1.2275 1.4350 0.9675 0.7581 1.6886 1.1255 1.1215 1.1598 1.1769 1.3260 1.1566 1.4522 1.3561 1.2354 0.9974 1.1011 1.1997 0.8980 0.8694 1.0415 1.0592 1.1807 1.1119 0.8992 1.2379 0.8151 1.1245 1.4712 1.1427 0.9551 1.0177 1.4652 1.3210 1.1126 0.9647 1.2755 1.3348 0.9399 0.8800 0.9919 1.1408 1.1956 1.1172 1.0886 1.1751 0.9662 1.0530 1.0025 1.0051 1.1741 1.2027 0.9911 0.7882 0.9583
3-Ureidoisobutyrate 1.1944 1.2298 1.1380 0.9334 0.6565 0.9579 1.1026 1.2871 1.0033 0.9428 0.9897 0.7167 1.2509 0.9488 1.3237 0.9607 1.2793 1.1288 1.1011 1.0499 1.1690 0.7338 0.9696 1.0529 0.9553 0.6750 0.8672 0.9643 0.8830 1.1995 1.1419 1.2425 0.9472 1.0322 0.7425 0.9624 0.9709 0.9916 1.1743 0.9778 0.9003 0.8730 1.0638 1.1131 0.9317 1.0493 1.2531 1.3712 1.2502 1.2779 1.0128 1.0218 0.9455 1.1342 1.1549 1.2640 1.0797 1.1413 1.2531 1.0929 0.9143 1.4585 0.9646 1.1303 0.7618 1.0886 1.0971 1.0984 1.1181 1.1632 1.0791 1.1108 0.8546 1.0360 1.0581 1.0694 1.0725 1.4604 1.1513 1.2383 1.1871 1.8299 1.0202 1.5024 1.0317 1.0129 1.5771 0.8413 1.1553 1.4106 0.9983 1.1444 1.1827 1.0673 1.3259 1.6310 1.4054 1.0491 1.4685 1.3062 1.4099 0.9591 1.1698 1.3415 1.1392 1.3744 1.3884 1.0865 1.0325 1.0989 1.5399 0.9675 0.9060 0.9453 1.4105 1.5025 1.2533 1.7849 1.5621 1.0849 1.0440 1.4901 1.1777 0.9688 0.9331 1.5095 1.2977 1.0697 1.1756 1.6054 1.5629 1.1638 1.1879 1.2987 1.5248 1.3498 1.4532 1.2919 1.1055 1.4119 1.2338 1.0841 1.3308 1.2914 1.4778 1.3171 0.2766 1.0241
3-Vinylaniline1 1.1946 0.8714 1.0827 0.5835 0.9094 1.0148 1.1186 0.5816 1.0527 0.8012 0.9510 0.8297 0.6806 0.9687 0.7367 1.1411 0.7399 0.8197 0.8144 1.2394 1.0516 1.2423 0.9683 0.9458 0.8544 0.8144 1.1159 1.1837 0.9872 1.5101 0.9514 0.8596 0.8136 0.5687 1.0466 0.6730 1.0897 0.6978 1.0914 0.9810 1.2027 1.0158 0.9528 0.8838 1.1647 0.7316 0.9675 0.8211 1.4510 1.0234 1.4088 0.9103 0.9863 0.7923 1.3120 1.2687 0.9551 0.7324 1.5912 1.0008 1.1148 0.7232 0.8456 0.7279 0.9213 0.9117 1.0959 0.9001 0.9646 1.0611 0.9761 0.8434 1.1819 0.6673 0.8651 1.1088 1.1093 0.8658 1.1133 1.0712 1.0983 1.0518 1.3309 1.4980 1.0886 0.6917 1.0277 1.5455 1.0165 1.3316 1.1651 1.0715 1.0567 1.0592 1.0857 1.0208 1.0740 0.8963 1.2094 1.2963 1.1095 1.2061 0.9759 1.2482 0.9781 1.6801 1.3344 1.1851 0.9018 0.8770 0.9392 0.9455 0.4746 0.8297 1.2280 1.3169 1.2208 1.0125 1.1242 1.3434 1.0558 1.4891 1.1265 1.1491 1.1483 1.0272 0.9935 0.9010 0.9601 1.2537 1.0228 1.0159 1.1177 1.2825 1.2275 1.4991 1.3541 1.1843 1.3306 1.3495 0.9904 1.0544 0.9562 1.3470 1.1899 1.1814 1.0670 1.0316
3-Vinylaniline2 0.8858 0.0940 0.9128 0.3040 0.7682 0.7343 1.1969 0.6059 1.0847 0.8223 0.7077 1.3979 0.7552 0.1771 0.6528 0.8605 0.7450 1.4735 0.2945 1.7577 1.4153 2.0136 0.2836 0.7037 0.7825 0.2124 1.8152 2.1060 1.5701 2.4119 1.5024 0.8846 1.1405 0.2609 1.8628 1.1839 2.2825 0.9013 0.5941 0.2593 0.4898 1.9697 1.3351 1.3458 1.2952 0.8310 0.9937 1.2369 2.4978 0.6028 1.4283 0.9932 1.2571 0.9731 1.5823 1.4597 1.5393 1.0490 1.8868 0.2379 1.8108 0.6847 1.0813 1.0484 1.4713 0.2984 1.6299 1.4877 1.8053 0.9923 0.9707 1.0115 1.3974 1.0223 0.0682 1.0767 1.6361 1.5310 2.0494 1.9790 0.8494 0.7780 1.7782 0.2015 1.0956 0.6694 1.6082 1.9602 0.1806 1.2436 0.3277 0.4823 1.3320 1.3098 0.1216 1.2770 1.6986 0.1281 0.8193 1.0215 1.4914 1.5429 0.8099 0.0656 0.9875 2.2242 1.7604 1.4590 0.8331 0.3233 0.1858 1.0345 0.0832 0.9756 2.1849 1.0573 1.7073 0.9955 0.1680 1.2285 0.9179 0.3800 2.2489 1.2878 1.5057 1.2019 1.0650 0.8635 0.6135 0.6983 0.2581 0.9789 0.1980 1.5483 0.9040 1.3138 0.1829 2.0525 1.8314 1.8752 0.7200 0.8241 1.3330 0.0878 1.0793 1.0141 0.8651 0.4516
4,8,12,15,19,21-tetracosahexaenoic acid 1.2127 0.7709 0.9625 0.2372 0.3912 1.0796 0.5443 0.2274 0.1364 0.7233 0.5482 0.6526 1.8708 1.2946 3.9360 0.3501 0.4429 1.3320 0.6197 0.7683 1.6545 3.1834 3.2275 0.1139 0.4283 0.8107 1.1042 0.3862 0.7567 1.4599 1.0361 0.5241 0.5732 1.4386 0.2933 0.1399 0.2841 0.2481 0.8126 1.3285 1.8300 7.4422 0.2851 0.6850 1.5380 0.7731 0.6076 0.3752 0.8720 5.7144 1.1148 1.1552 0.4831 0.5639 0.9316 1.3951 0.1993 1.2732 0.0204 0.1404 4.1383 0.8314 0.5219 0.3016 0.2060 0.3577 0.8128 0.3314 1.5933 0.6285 0.2822 0.3684 0.4168 0.6789 0.4601 1.6138 0.6811 0.5890 0.4579 21.0219 0.6023 0.8214 0.1571 1.7192 0.5615 0.3230 0.5292 3.2247 4.6915 1.4568 0.4330 0.8829 0.2150 0.5845 1.2816 0.7166 0.5577 1.4070 0.4930 0.7063 0.4068 0.0685 0.4320 0.6073 0.1025 3.4569 0.4572 0.5259 1.0445 0.4598 1.5042 1.8697 0.3455 1.5348 1.2176 0.3642 0.8913 0.7990 2.6904 0.0993 1.0081 1.3509 0.4215 0.7804 0.2577 0.3258 0.1372 0.3124 0.3171 0.6552 0.6802 0.2748 0.5263 2.8717 0.4692 0.8620 1.1891 0.2043 0.4034 0.3302 0.7559 0.9034 0.5739 1.4485 0.2686 0.2726 0.7359 0.8687
4-Acetamidobutanoate1 0.1361 0.0919 0.1019 0.1895 0.1086 0.1191 0.1017 0.0872 0.1154 0.0927 0.3287 0.7343 0.1250 0.1053 1.7994 0.4475 0.1101 0.2208 0.1142 0.4444 1.4147 0.1008 0.1055 0.2689 0.1043 0.2977 0.5737 0.1272 0.2317 0.1268 0.1246 0.6673 0.1355 2.7458 0.1340 0.4229 0.5532 0.5242 0.2207 0.1311 6.4986 0.9175 0.1214 0.1206 1.7162 0.1131 0.1974 0.1028 0.1125 0.3371 0.1511 0.2042 3.3121 0.1091 0.3659 0.4812 0.1177 0.2376 0.1032 0.3938 0.1729 0.1155 0.3251 0.1173 0.1140 0.1065 0.0697 0.1050 0.1261 0.5277 0.9542 7.1496 2.8898 0.1203 7.8260 1.6059 0.3188 0.5132 0.1178 1.0416 0.2103 0.2653 0.1052 0.6091 0.5976 0.2907 0.0727 0.1069 1.3849 0.3356 0.2861 0.1045 0.1134 1.6704 0.2478 0.1713 0.1238 0.1086 0.6626 0.7223 0.8876 0.6642 0.2472 6.7682 0.1811 0.3870 0.6916 0.4668 0.1001 0.1303 0.1564 1.9982 0.1190 0.1047 0.6261 0.6664 14.6247 0.3375 0.1080 0.3982 0.1251 10.3096 0.5074 0.1054 0.1217 0.4620 0.0960 2.2116 19.9289 2.5848 0.2433 0.0989 0.0780 1.7449 0.4221 0.0792 4.7680 2.9416 4.6065 1.5199 3.4148 0.8238 0.9089 0.8605 0.3581 1.1895 1.0246 1.0476
4-Acetamidobutanoate2 1.0710 1.8144 0.4784 0.6900 0.6771 0.7229 0.1128 0.4682 0.4549 0.5722 0.8226 0.4913 0.9626 0.8904 0.8427 0.7964 1.1728 2.1375 1.7165 0.5739 1.1116 0.5562 0.8175 0.7974 0.6981 0.6605 0.6800 1.4244 1.5091 1.1322 1.0485 1.1354 0.4626 0.6540 1.7681 1.4624 0.1020 1.0396 1.8724 1.3871 2.6218 2.3881 1.2450 1.3225 1.1410 1.1104 0.5601 1.0204 0.7921 0.9656 1.2345 2.5328 0.8194 1.4701 1.9463 2.3661 0.8613 1.4204 1.1438 1.7123 1.3310 1.0163 0.6076 0.7582 0.6635 1.0402 0.8427 1.4999 1.1372 0.8340 0.5282 0.6574 2.4598 1.0489 0.8039 1.0234 1.3099 0.9600 0.6714 0.5997 0.6676 0.5700 0.9306 2.1286 0.8716 1.7745 0.6609 0.5020 0.7461 0.9759 0.2548 0.3643 0.4438 0.5513 0.7225 0.7939 0.4614 0.7421 0.7501 0.9843 1.0392 1.2280 0.7578 1.0567 1.0214 0.7426 1.2361 0.6821 0.3458 0.4120 0.9757 1.1332 1.3603 0.9215 0.8965 1.4068 0.4336 2.1395 1.1789 0.4812 0.7818 0.9691 0.7373 0.9830 2.2095 1.8600 1.3744 1.4180 0.6853 2.0083 1.0938 1.3542 0.9166 1.3701 0.6711 1.9445 1.6626 1.1870 1.5038 1.3360 0.9723 1.8205 1.8600 1.8509 0.9279 1.4015 0.8266 1.3049
4-amino-4-cyano-butanoic acid 2.0963 0.6508 0.2206 0.6333 0.2921 0.5366 3.2568 0.5883 0.2395 0.9397 0.5742 0.3153 1.3338 3.7353 1.1311 0.5564 1.1755 1.0835 0.7631 2.1127 1.6355 0.1787 0.3525 0.3451 0.7950 0.1343 2.6007 0.6093 1.4239 0.8639 1.8344 1.3509 0.2512 0.2598 0.9486 0.7354 4.1065 1.1712 0.7058 0.6824 1.0857 1.4428 1.0121 1.9314 3.8804 1.2925 0.2997 2.9072 2.2256 1.9524 0.2972 0.5904 0.9124 3.4644 0.8404 2.5753 0.5911 2.0166 0.7928 1.1357 0.2644 0.5389 2.1328 2.0135 0.3982 1.2280 0.5073 0.5698 0.3116 0.3578 3.5853 0.3745 2.3511 1.0436 1.1969 0.9167 0.2599 0.7826 1.2581 1.1930 2.5062 0.6659 0.1141 0.7894 0.1958 1.0756 0.3911 0.2664 0.3713 0.8991 1.3891 1.1563 0.2578 0.3798 0.4520 2.1012 0.6029 0.9119 0.2788 0.3773 0.5855 0.2848 1.7700 0.3261 0.3804 0.3803 0.5005 0.2121 0.7067 0.8435 2.3657 1.1828 0.6954 0.5245 0.8161 0.7893 0.5413 1.4367 1.3944 0.3512 0.2897 2.8318 0.8896 0.8447 3.1113 0.5004 1.4669 2.5113 0.1923 0.8860 0.1949 0.5908 1.0139 1.3449 1.4636 1.7867 0.9452 0.3144 2.9284 0.6793 0.8793 0.4763 0.7184 0.5953 1.1041 0.5925 0.9234 0.6576
4-Aminophenol1 2.4475 0.0700 0.0633 0.0746 0.1118 0.0571 0.0573 0.2806 0.0825 0.0617 0.0565 0.0595 0.0725 0.0603 0.0568 0.0578 0.0578 0.4960 0.2632 0.0543 0.0599 0.0543 0.0559 0.0556 0.0604 0.0551 0.0580 0.0912 0.2404 0.0619 9.8024 0.3000 0.0797 10.1485 0.4448 0.0843 0.1671 0.0531 0.9883 0.1730 0.2479 0.7761 0.6547 0.9256 0.0642 0.0506 5.2544 10.2078 0.5629 0.0563 0.4296 0.6098 0.0801 0.0613 0.0638 0.1208 0.1510 0.0638 0.0934 0.1786 0.1281 0.1400 0.2075 0.0648 0.5613 0.3548 1.1080 0.4028 0.0687 0.0533 0.1457 0.1054 0.4125 0.3074 0.0528 0.1154 0.9779 0.0361 0.0714 0.2866 4.9110 0.0554 0.0541 0.0603 0.5611 0.0639 0.0550 0.1191 0.1112 0.5127 0.0786 0.0656 0.1764 0.1491 0.1160 0.1686 0.2134 0.1107 0.0504 0.3142 1.0424 0.0532 0.0515 0.0561 0.3074 0.0862 0.6051 0.0554 0.0729 1.4227 19.5796 0.0625 0.0502 0.0434 0.5590 0.1040 1.6108 0.2853 0.0652 0.0700 14.0886 0.0598 0.4823 0.0560 0.0552 0.8777 0.0573 0.2374 0.5793 1.0355 0.7987 0.0890 0.0563 0.4011 0.0710 0.0571 0.1486 0.0505 0.3235 0.0704 0.0592 0.0518 0.0923 0.0480 0.0617 15.9051 2.1888 3.4776
4-Aminophenol2 43.9478 0.3637 0.1481 0.1323 3.1784 2.2455 0.1173 0.0986 0.0975 0.0922 0.0928 0.0964 0.1106 0.1607 0.1319 0.1071 0.0950 0.5276 0.0986 0.8044 0.6830 0.1799 0.1855 0.1025 0.1060 0.0993 0.1072 0.0994 0.1069 0.2053 0.1390 0.0992 0.1023 0.1343 0.1127 0.0932 0.2033 0.1436 0.1714 0.1242 0.1202 1.3644 0.1023 0.4718 0.1030 0.1103 9.9889 5.0967 0.1082 0.1102 0.2548 0.1378 0.1062 0.0955 0.1038 0.1208 0.1586 0.1150 36.7257 0.4961 0.1018 0.1179 0.1189 0.1133 0.0931 0.1274 0.4785 0.0976 0.0999 0.1084 0.1146 0.1109 0.1700 0.2560 0.1159 2.8620 0.1251 0.1132 0.1140 0.1233 0.2117 6.7674 0.1229 0.2766 0.1231 0.0898 0.1132 0.1129 0.1193 0.1495 0.1626 0.1303 0.1498 0.1177 0.1538 0.1366 0.1496 0.1055 8.9712 0.1689 0.1575 0.2255 0.1303 0.1132 0.1091 0.8238 0.1242 0.1231 0.1173 0.1014 0.1881 0.1311 0.0890 0.0973 0.1717 0.1558 0.1374 1.9288 0.1076 0.1104 0.1727 0.1303 0.1272 0.1505 0.1438 5.0206 0.0901 0.3109 0.3068 0.8734 0.1093 0.1038 0.0997 0.5274 0.1000 0.8394 1.2119 0.0959 0.2493 0.1637 3.4076 0.1517 0.1661 0.5367 0.8819 0.3170 0.7670 1.3746
4-hydroxy-3-(3-methylbut-2-enyl)benzamide 1.3937 1.0368 1.5621 1.1521 0.9339 1.4612 1.1415 1.1173 1.8688 1.5928 1.2287 0.6569 0.8331 2.0937 1.4763 0.7591 1.3809 1.7002 2.4369 1.3707 1.4917 1.3559 1.6390 1.1439 0.9098 0.6794 1.0004 1.7236 1.3245 1.6294 2.0911 1.8974 1.0130 0.9132 0.9586 0.6824 1.1732 1.0284 0.2870 1.4338 1.9786 1.9187 1.0260 1.0653 1.1868 1.0951 0.7319 0.6914 0.8006 0.9178 0.4069 2.1398 0.7096 0.9583 2.5393 2.3255 0.9936 0.6927 0.8345 1.0950 1.0896 1.1534 0.8562 0.5804 1.1121 1.1651 0.8064 1.2009 0.6893 0.2559 1.2719 0.9511 0.8925 1.6206 2.2894 1.6851 1.3056 1.3701 0.9989 1.6150 1.0083 1.0539 0.6932 1.1539 0.4860 1.0345 0.8015 0.8285 1.0956 0.8519 1.1857 1.1866 1.1154 1.3353 0.9738 1.0430 0.9530 0.5878 1.7035 0.6507 1.0351 1.1266 1.1912 1.0570 1.0947 0.4268 1.2941 0.8505 0.8791 1.4621 1.7093 1.2549 0.9154 1.0849 0.8774 0.8864 0.9038 0.4017 0.7880 0.5695 0.8242 0.8386 1.6526 0.7837 0.5589 0.2388 0.7569 1.1528 0.9371 0.3643 0.6396 0.9195 0.3010 1.3351 1.0065 0.6762 0.2178 0.9294 0.2924 0.3471 1.7855 0.7499 1.5777 0.9348 1.4250 0.8013 0.6677 0.9757
4-Hydroxybenzaldehyde 0.6773 0.4857 0.7534 0.9393 2.0939 0.7390 1.1172 0.4365 0.7019 0.2500 1.5491 1.5284 0.3883 1.4288 0.6696 1.9704 0.9788 1.4985 1.4949 1.4246 1.5276 1.1645 0.7455 1.4629 0.5722 1.3625 0.7987 1.9422 1.8242 2.5781 1.0882 0.6980 0.7541 0.4859 1.0246 0.8245 0.7969 1.4574 0.7285 1.5715 2.6659 1.8975 1.5234 1.3669 1.4212 0.9052 0.6592 0.4727 0.9775 0.8136 1.0299 0.8976 2.3012 0.9485 0.7728 0.8758 1.3420 1.0305 0.6914 1.0665 1.8572 1.7222 1.8775 0.9784 1.3293 0.4180 0.8181 2.0307 1.6379 0.7440 1.8260 1.3764 1.7564 1.4327 0.8638 0.8274 2.2230 1.7519 0.7878 0.6895 0.8131 0.6599 0.8728 1.4353 0.7938 0.4173 1.1920 0.6856 0.5895 0.8829 0.7392 0.5952 0.5870 0.9075 0.7398 0.6031 0.7265 0.5122 0.7356 0.7886 0.8366 0.7566 0.6841 1.0297 0.8810 1.0757 0.7219 0.8113 0.4113 0.5601 0.8103 0.5073 0.8781 1.1755 1.0324 0.9442 0.8682 0.7549 0.5421 0.5822 0.6042 0.9797 0.6615 0.4950 1.8593 0.5750 0.6424 0.4742 0.8316 0.8512 0.8215 0.4909 0.4433 1.2780 1.1175 0.8386 1.1267 0.9710 0.9558 1.2579 0.8695 0.7107 0.8132 1.1364 0.7344 0.7546 1.2681 0.9980
4-methoxy-3H-isobenzofuran-1-one 0.6693 0.4807 0.7626 0.9652 2.0744 0.7360 1.0926 0.4317 0.7117 0.2633 1.5536 1.5370 0.3927 1.4081 0.6548 1.9243 0.9597 1.4623 1.5020 1.3692 1.5126 1.1707 0.7329 1.4225 0.5407 1.3655 0.7786 1.9928 1.7938 2.6047 1.0546 0.7260 0.7260 0.4835 1.0251 0.8286 0.7987 1.4504 0.7168 1.5964 2.6245 1.9136 1.5520 1.3768 1.3928 0.8927 0.6376 0.4852 0.9756 0.8023 1.0678 0.9035 2.2941 0.9509 0.7750 0.8753 1.3233 1.0580 0.6974 1.0975 1.7777 1.6976 1.9076 0.9830 1.3575 0.4039 0.8096 2.0201 1.5987 0.7653 1.7927 1.3658 1.6947 1.4376 0.8891 0.8310 2.1919 1.7330 0.7860 0.6759 0.8053 0.6640 0.8738 1.3818 0.8048 0.4250 1.2021 0.6692 0.6150 0.8817 0.7445 0.6052 0.5772 0.9133 0.7524 0.5976 0.7135 0.5219 0.7257 0.7993 0.8334 0.7484 0.6763 0.9869 0.9078 1.0574 0.7636 0.8042 0.4251 0.5709 0.8082 0.4861 0.8839 1.1126 1.0270 0.9678 0.8997 0.7707 0.5166 0.5651 0.5801 1.0262 0.6749 0.4792 1.8590 0.5362 0.6764 0.4608 0.8408 0.8750 0.8306 0.4920 0.4619 1.2064 1.1393 0.8376 1.1143 0.9439 0.9719 1.2948 0.8846 0.7174 0.8201 1.1935 0.7127 0.7320 1.2897 1.0029
4-Methylene-L-glutamine 0.9896 1.0949 0.8572 0.7034 0.4790 1.1810 0.9443 0.7589 0.8697 0.6295 0.9270 0.5160 0.0025 0.7118 0.7451 1.0371 0.8126 0.7618 1.6917 0.7667 1.0986 0.7415 1.1850 1.0443 0.8382 0.5917 0.7414 1.0754 0.9209 1.5637 1.7170 1.1001 0.5682 0.9235 0.4915 1.1473 1.3346 1.2365 0.9453 1.6769 0.9340 1.1992 1.1553 1.3814 0.8946 0.7621 0.0032 1.2745 0.8361 0.9295 1.1912 1.8580 0.5485 0.7117 1.5115 1.7652 0.7958 0.8136 0.9238 1.4039 0.9815 1.6950 0.6355 0.5951 0.5925 1.1295 0.9393 1.0019 1.5128 1.1641 0.8726 0.7396 0.7505 0.0025 1.1946 1.6743 1.3007 1.2798 1.0676 1.4113 0.9318 1.2855 0.8535 2.7930 1.1000 0.9313 1.0987 0.8986 1.4068 1.0764 0.5446 1.0137 0.9874 0.8321 1.1285 1.6616 1.0637 0.9197 1.0253 0.8000 0.9136 0.8094 0.7544 0.8967 1.6626 1.4170 1.6059 0.9408 0.8507 1.1746 1.8673 0.8160 0.6209 0.9194 1.3611 1.2191 0.9789 2.4592 1.6170 0.5922 1.1923 1.3317 1.2011 1.0822 0.8444 0.9958 1.0199 0.7628 0.8610 2.3745 1.4124 1.0956 1.0776 1.1288 1.3119 1.2999 1.2546 1.3986 0.9830 1.3243 1.4300 1.3043 1.2501 1.9292 1.4469 1.2760 0.8158 1.1810
4-Nitroacetophenone 0.7882 1.4831 1.0754 1.2935 1.1966 1.0479 1.6460 1.8003 1.0855 1.1907 1.4143 1.4791 2.0945 0.5192 0.7652 0.3561 2.1414 0.9644 0.6009 0.2143 1.5625 2.0107 1.9406 0.1297 0.4797 1.5582 0.3632 0.6855 0.8153 0.3220 0.7573 1.5480 1.2015 2.2739 2.2602 1.6290 0.5582 0.5845 0.4540 0.8134 1.2234 1.5622 0.9442 1.4408 0.7200 0.5355 2.1123 0.8524 0.5628 1.1231 0.5011 0.5092 0.3579 1.7887 1.6290 2.1710 0.8222 2.7732 1.0708 0.4305 1.3361 1.4300 0.5748 0.3616 0.2940 0.3179 1.0053 0.7812 1.8393 2.0286 2.0052 1.9343 0.7344 0.4013 1.6678 1.5646 2.2437 1.7375 0.9072 2.1515 1.4632 1.4469 0.6478 0.2395 0.9406 0.6579 0.6364 1.1324 2.4373 0.4416 0.4726 1.4603 0.6320 0.5416 0.4067 1.1853 0.7997 1.1741 0.8457 1.4470 2.1289 0.3980 0.7960 1.0209 0.3347 0.5885 1.3501 1.4121 0.8397 0.8310 1.0425 2.4365 2.1274 1.1750 0.7525 0.4636 1.9183 0.5705 0.8008 1.8775 1.5012 0.3251 0.6322 0.6382 1.2008 0.5192 0.6936 0.2590 0.4512 0.9852 0.6021 1.0031 0.8290 0.5289 0.5095 0.8204 1.1007 0.8528 1.0964 0.7321 1.4193 0.9071 0.3349 0.3946 0.4883 0.7568 0.8593 0.5958
4-Nitrosomorpholine 0.8682 1.0433 1.5319 1.5912 0.4905 0.7139 0.9256 1.3680 1.0228 0.8595 0.7329 0.7542 1.7307 0.6886 1.6962 0.6090 1.2507 1.0129 1.0477 0.8661 1.3205 0.8743 1.2457 1.0900 1.2137 0.4837 0.5375 0.5535 0.6478 0.8195 1.2034 1.5391 0.8581 0.8996 0.6133 0.8758 1.3321 1.8921 1.1412 1.2283 0.7275 0.6170 1.1571 1.2027 0.8603 1.5794 1.3505 1.7357 0.9063 0.9079 1.1004 1.3379 0.8472 1.5002 0.7459 1.0190 0.9861 1.2101 1.3295 1.1357 0.7188 0.9920 0.7775 1.1853 0.6924 1.2742 1.0602 1.4031 1.1273 1.3199 0.6641 0.9260 0.6204 1.0193 0.8425 1.2471 0.6758 1.1896 0.8340 1.6116 0.9690 1.5870 0.6593 1.4704 0.7215 2.1823 0.9830 0.5291 1.1716 1.0126 0.7297 1.0580 0.9077 1.1015 0.8937 1.4816 0.7890 0.8340 1.2065 1.0952 1.4800 1.3108 1.9031 1.8375 1.8900 0.8212 0.8791 0.7854 1.2675 1.6256 1.2945 1.0724 0.7778 1.1787 1.4142 1.5034 0.7976 1.1648 1.4074 0.5801 0.8466 1.2198 1.3386 0.9418 0.6050 1.2517 1.0401 0.8368 0.9363 1.8256 1.5092 0.7927 1.1236 0.8183 0.9903 0.9844 1.4457 0.9254 0.7222 1.8457 1.4769 1.1974 0.6856 0.9725 0.9039 1.3004 0.7556 1.0809
5_6-Dihydroxy-3-methyl-2-oxo-1_2-dihydroquinoline 1.1539 0.8193 1.0289 0.4118 0.9831 1.0125 0.9670 0.4945 1.1018 0.8776 0.9955 0.7695 0.8803 1.3968 1.0640 1.5354 0.9872 0.9505 1.1007 1.2865 0.9759 1.0195 0.8467 1.0462 0.8097 0.5948 1.3296 1.2557 1.1627 1.4577 0.8415 1.3375 0.8027 0.5649 1.1856 0.6368 0.9603 0.6805 1.1539 0.7699 2.2531 1.1924 1.0580 0.8862 1.6824 1.1381 0.8908 1.0904 1.5375 1.1364 2.7142 1.0277 1.0866 0.7308 1.8899 1.6572 0.8910 0.5653 0.9675 1.1342 0.9729 0.6543 0.8450 0.5337 0.7242 0.8600 0.9120 0.6324 1.0846 1.0662 1.0225 1.0054 1.3051 0.6284 0.8295 1.2313 1.8799 1.2348 1.1503 1.1036 1.1515 0.9888 0.8753 1.1021 0.8338 0.7148 1.1709 1.1235 0.6978 1.5439 1.1612 1.1400 0.7882 0.6442 1.1973 1.1520 0.9087 0.8068 0.9369 1.0750 0.9379 1.7869 1.1976 2.6088 1.4966 1.2822 1.2762 0.8409 0.6731 1.0253 1.5392 0.6348 0.4696 0.9843 1.3714 1.5271 0.7431 1.0377 1.3634 1.5591 1.0298 1.5552 1.1714 1.2645 0.9520 1.0968 0.8643 0.7178 0.6631 1.0114 0.7981 0.7075 0.7396 1.4686 1.3011 1.3656 1.6045 1.0369 0.9754 1.1114 1.2395 1.3369 0.8870 2.0175 1.3687 0.8580 0.8098 0.8995
5-Acetamidovalerate 0.8292 1.6051 0.3225 0.2600 0.7572 0.8157 0.1454 0.4150 0.6350 0.8662 0.8098 0.8391 1.4057 0.8643 1.1281 1.1874 1.7648 0.2994 0.1314 1.5498 1.8892 0.2924 0.8079 0.2230 0.3896 0.2486 1.6784 0.7856 1.1183 0.5117 0.1591 0.7989 0.8979 1.5277 0.2330 0.7675 0.5199 0.5245 2.4869 1.7278 3.3450 16.6326 0.1300 0.1336 0.6129 1.3812 0.5361 1.8130 0.5313 0.7382 0.9000 2.1055 0.5031 2.8619 1.4953 2.8115 0.8583 3.3013 0.2313 2.1454 0.2763 4.5702 0.4397 1.0542 0.1047 2.3107 1.0154 0.6546 1.1081 1.4075 1.1124 0.7593 1.0687 1.7252 0.2205 1.3224 0.3826 0.6255 0.9910 0.8503 0.4770 1.2157 0.8958 0.6719 2.4188 2.1165 0.6065 1.0351 0.5783 1.1187 0.1293 0.6570 0.1664 0.1453 0.5360 1.3513 0.1531 1.0038 0.5279 0.5276 0.1561 1.1039 1.0420 0.8247 0.6915 0.2054 1.3159 1.4097 0.5091 0.3326 1.8158 3.4113 1.4766 2.9282 1.5191 0.5662 0.3888 3.4160 0.8176 0.3771 1.7746 0.1593 0.1488 0.1207 1.1778 0.2848 1.3673 0.2069 0.2819 0.2820 0.3001 0.4857 1.8660 0.9545 0.9152 1.9233 0.2334 0.2044 1.7691 0.3728 0.4015 0.3287 0.3568 0.5748 0.2641 0.3483 0.7859 1.3210
5alpha-androst-16-en-3-one 0.2892 0.8468 0.5267 0.2340 0.2488 0.2988 0.2392 0.3212 0.8693 0.3084 0.4767 0.6592 0.2607 1.8938 1.1023 0.2007 0.3988 0.2151 0.2192 1.0833 1.9903 3.1387 1.4128 0.5391 0.4220 4.0424 3.3065 0.5425 1.7991 0.3419 0.2828 0.5568 0.2714 0.3242 0.2464 0.2132 2.8403 1.2394 0.4524 0.3516 0.2186 0.3319 0.4101 0.5675 1.8370 0.5470 0.2129 0.2175 0.6305 0.4843 0.5723 0.2043 0.5784 2.6001 2.4859 1.6979 1.4336 0.5618 0.9229 0.2090 1.2870 2.8438 1.2179 0.5107 0.2273 0.3648 0.2608 0.3667 0.5195 0.7507 0.2377 0.5839 2.1929 0.2457 0.3219 0.2651 0.6001 0.8090 1.2048 1.5615 0.8073 0.7957 1.4959 2.7995 2.0703 0.9102 0.3902 2.1404 2.5278 0.7608 1.0793 1.1293 2.3922 1.9283 0.2169 0.2361 0.8603 1.0521 1.2727 1.8856 1.5705 1.8474 1.4571 0.4418 0.4960 0.3156 0.3636 0.5247 0.2698 0.3964 1.2081 1.3822 0.2444 1.0874 0.2248 2.2790 0.4344 2.5657 1.5524 1.9354 0.9424 2.1316 1.2435 0.9926 0.3252 0.2667 6.0189 0.9343 0.2231 0.1994 1.1172 0.2112 4.3752 1.6522 0.8440 2.3361 2.2549 0.7605 0.2198 1.8098 0.7457 0.6174 0.4215 2.4210 2.6184 0.6836 1.0096 1.1035
5alpha-cholesta-8_24-dien-3beta-ol 0.9474 1.6468 1.4126 1.2709 0.5529 0.5427 0.7682 0.9867 1.2025 0.6099 2.8337 1.3654 0.5175 1.9453 0.9674 1.6035 1.5818 1.6714 0.6046 0.3493 0.5070 0.7905 1.1695 1.2381 1.0209 1.7150 1.3561 3.0209 0.6833 1.1135 1.6270 1.6646 2.9457 1.3466 0.5795 0.7399 1.6739 1.6999 1.7667 1.6579 0.5988 1.7048 1.2410 1.6150 1.4779 0.2674 0.4840 0.5896 1.3107 0.6954 1.7078 2.0415 1.0955 1.3177 1.8785 1.9233 2.1946 1.2509 2.4403 0.6125 1.3740 1.2652 2.2091 1.6580 1.3200 1.2289 1.1783 1.7212 1.1583 0.6043 0.6696 0.5458 0.6934 0.8345 3.2081 0.3353 1.2996 2.8103 0.8164 0.7442 0.6352 0.1523 0.4340 0.4233 0.2118 1.6285 0.3279 0.8887 0.6752 0.5085 0.6238 0.8585 0.6190 0.6831 0.2641 0.4901 0.7036 0.4969 0.2229 0.1443 1.1118 0.4389 1.0766 0.2091 0.6784 0.4171 0.4453 0.5691 1.6932 0.6623 0.4308 0.7789 2.3419 1.2052 1.4826 0.1416 1.7293 0.4567 1.3545 0.8415 0.7349 0.2927 0.2659 0.6742 0.5988 1.2212 1.5660 1.6074 1.3118 0.4549 0.3600 0.5642 0.4964 0.5203 0.3924 0.3379 0.2723 0.4363 1.7368 0.5105 0.3788 0.1092 1.4358 0.1230 0.4862 1.2700 1.0928 0.6254
5beta-Cyprinolsulfate 0.0582 0.0198 9.4476 5.6187 1.0072 1.0506 1.2082 1.1290 0.9363 0.8676 0.7756 1.1823 1.6602 0.8912 2.0264 1.6408 1.1448 1.8414 1.5483 0.9504 1.0422 1.3117 1.2511 1.1361 1.1147 1.3902 0.1790 2.3390 1.4406 1.8756 1.7719 0.7597 1.5919 1.7293 1.0437 1.0700 1.1054 1.3751 1.6290 1.1358 0.1870 0.0358 2.0301 0.5629 1.1605 1.2815 1.5892 1.1941 1.3269 0.2104 1.1889 0.0114 1.8838 1.2858 2.1606 2.6933 1.7437 0.0702 0.6283 1.3863 1.7752 0.0506 1.4655 1.1829 1.9314 1.3914 0.9491 0.0120 1.6153 1.1129 2.2816 2.2355 0.3623 1.2958 1.0327 1.0698 1.1414 1.5822 1.8978 1.0705 0.8950 0.9260 0.7716 0.0099 1.1848 0.0396 1.5187 1.1589 0.9058 1.2125 1.5703 0.9675 1.4249 1.6209 1.4481 2.4947 2.2369 0.9091 1.5371 1.7230 1.9962 1.9749 1.7587 0.9158 1.0325 0.0625 1.4224 0.7931 1.6838 1.2327 1.0729 1.8765 0.7415 1.1325 2.1943 1.1248 2.0185 0.3113 1.7378 0.3706 1.5505 2.3768 1.8192 0.2999 1.8987 0.3281 0.0082 0.1123 0.0102 0.0117 0.0090 0.0107 0.0117 0.0829 0.3378 0.0113 0.0147 0.0542 0.0188 0.0211 0.0106 0.0104 0.0224 0.2057 0.0390 0.0108 0.3526 0.0573
5-Hydroxy-DL-tryptophan 0.8449 0.9665 0.8939 0.5808 0.6682 1.1380 0.6747 0.4965 0.9873 1.1512 0.9200 0.7098 0.9878 0.9999 0.7892 0.9903 1.0776 1.1457 0.9419 1.0267 0.7011 0.7159 0.7049 0.8821 0.8822 0.4528 0.9609 1.1901 1.2365 0.8269 0.7388 1.5745 0.6766 0.6111 1.5057 0.6420 0.9994 0.8227 1.1628 0.7531 2.5098 1.5182 1.1010 0.8526 1.4570 1.0210 0.6971 0.8239 1.1458 0.8497 3.1232 1.3258 0.5727 0.7104 1.9436 1.7136 0.9346 0.6575 1.0351 1.3079 0.5449 0.7261 0.6954 0.5932 0.6701 0.9690 0.8022 0.5979 0.8952 1.0195 0.7267 0.9182 1.3490 0.7422 0.8414 1.1885 1.0945 0.9020 0.9211 1.0475 0.9858 0.8545 0.6132 1.1132 0.7333 0.9632 0.9728 0.7950 0.5624 0.9561 2.0780 1.5003 0.8319 0.8315 1.0076 1.1584 0.8720 0.7690 0.9167 0.8603 0.8868 1.6076 0.9403 2.4460 1.5038 1.2047 1.3099 1.0480 0.7387 0.8761 1.4380 0.8161 0.5270 0.6752 1.1864 1.2312 0.8325 1.1090 1.0273 1.5026 0.6843 1.2022 0.9543 1.0622 0.8933 1.2111 0.9648 0.9830 0.6525 1.1175 0.6847 0.8292 0.7795 1.1866 0.9639 0.7719 1.1214 1.2033 1.2555 0.9458 1.2000 1.2093 0.9981 1.2813 1.0743 0.8976 1.3199 0.7620
5-Methoxyindoleacetate 0.5846 0.5315 0.8077 0.2278 0.8888 0.6702 0.5704 0.4236 0.4614 0.4881 1.0026 0.6652 0.4533 0.7047 0.7711 4.0372 0.3068 0.3516 0.7211 1.2741 1.0052 0.9044 0.7857 0.5683 0.5575 0.3526 1.4032 0.8463 0.7470 1.6077 0.6305 0.7758 0.3533 0.4003 1.6072 0.4157 1.4817 0.8440 1.5274 0.5966 1.3021 0.6039 1.1538 1.2361 1.0197 0.6450 1.2295 1.3159 1.6007 1.6120 1.3705 0.8562 1.1662 0.8099 1.3037 1.1765 0.4413 0.4932 1.1903 1.3900 0.9108 0.9973 0.8296 0.3894 0.5629 0.7012 0.6461 0.6537 1.2545 1.3260 0.6345 0.7303 1.6203 0.2213 0.8544 1.4744 1.2176 0.8127 0.9402 0.8794 0.7161 0.5176 1.4444 5.8003 1.0416 0.3674 1.1054 0.9291 0.5151 1.7432 0.3556 0.7076 1.0693 0.6925 0.9779 0.9439 1.1495 0.8038 0.4659 0.9886 0.9980 0.9124 0.5725 0.5673 0.7917 0.9675 0.7478 1.4675 0.7330 0.7658 0.8679 0.2176 0.4198 0.7101 0.9491 0.9756 0.4877 4.9301 1.5577 0.6514 1.2281 1.5323 1.0534 1.9349 0.8875 1.2466 0.9431 0.3435 0.3491 1.5137 0.6195 1.9262 2.3606 0.9726 1.3716 2.2681 1.7298 1.3950 1.0826 1.3133 0.9015 1.5726 1.1667 2.7745 1.4914 0.1251 1.1703 0.9176
5-methyl-1H-quinazoline-2,4-dione 1.2633 1.3723 1.0912 0.5613 0.8715 2.0401 0.4854 0.1854 1.0901 0.2868 2.4196 0.6685 0.0891 1.2608 0.1720 1.0319 3.8061 1.5468 3.7248 0.5589 0.2885 1.7633 0.5648 2.0182 1.0010 0.8686 1.3977 1.9636 1.5369 2.0322 2.8782 0.6439 0.4856 0.3775 1.2284 0.5280 1.2674 0.2444 2.2734 3.4685 1.7721 0.3775 1.0238 2.5775 2.5002 1.5637 0.5736 0.5706 0.8340 1.0293 1.4011 1.9051 0.6172 0.7825 4.1444 4.6358 1.1324 0.2916 0.2684 0.9026 1.5728 0.2372 1.2006 0.2737 0.5942 1.2307 1.0690 0.4698 1.4718 0.3602 1.1153 0.3122 2.1323 0.9155 0.7114 0.2768 2.4942 0.6163 0.8513 0.0713 0.9354 0.3561 0.6140 0.3723 0.4333 1.1705 0.2858 0.7714 0.5914 1.0416 0.7982 1.1537 1.1186 1.2575 0.4959 0.5287 0.4750 0.6576 0.5618 1.6969 0.5061 4.8922 0.2543 0.4277 0.5098 1.2282 1.2752 1.0115 0.2381 1.2033 1.4006 0.0855 0.4055 0.5005 0.7666 0.5222 0.5757 0.6806 1.1520 0.2786 0.6314 0.9486 1.0144 0.6536 1.0602 1.8803 0.8585 1.5489 0.5407 0.8282 0.6877 0.9250 0.4044 1.4878 0.8621 1.4334 0.4539 2.6916 1.4819 0.1210 0.7870 0.4991 0.8397 1.0006 0.5610 1.5466 0.8513 0.7157
5-Methylthio-D-ribose 1.1563 1.0370 0.9181 0.3107 0.5396 0.4550 0.5970 0.7563 0.7616 0.9724 1.0078 0.1986 0.4862 0.8893 0.7638 0.9653 0.8846 0.3337 0.9868 1.1001 0.3710 0.8612 0.9224 0.9423 0.8688 0.7091 0.8396 1.3337 1.2109 0.8805 0.9027 1.3890 0.6867 0.7458 1.0081 0.4211 1.1199 0.9908 1.3403 0.5461 1.5641 1.1632 0.6265 0.5182 1.1413 0.9165 0.7175 0.7535 1.5131 1.2712 1.0152 0.5811 0.9618 0.7430 1.4740 1.3284 1.0021 0.8313 0.8584 1.2108 0.6309 0.6902 0.7363 0.6972 0.7533 1.0613 0.6937 0.6518 0.7114 1.0692 0.9497 0.9239 1.2919 0.6429 1.0269 1.2892 0.7424 0.8461 0.7907 0.9869 1.1168 1.2507 1.1048 1.8833 1.1239 0.8683 1.4569 0.4028 0.8301 1.4660 0.8015 0.3829 1.1459 1.3261 1.1917 0.9927 0.8820 0.6882 1.8004 1.6280 1.1570 1.4859 0.8909 1.9058 1.0469 1.2937 1.3679 1.8646 0.9770 0.6977 1.4047 0.9539 0.5532 1.0104 0.9311 2.0433 1.3045 2.4462 1.2243 1.2683 0.5162 2.0186 1.2978 1.2073 1.2005 0.2493 1.1390 1.1037 0.6750 2.7300 1.4556 1.0649 1.4952 1.5655 1.5432 2.1263 2.2045 1.5679 1.2829 2.0907 1.5300 2.2663 1.1483 1.6858 1.5470 1.2283 0.8281 1.1806
5-Nitro-o-toluidine1 1.2320 1.2389 1.1534 0.5700 0.9547 1.8163 1.3433 0.2013 1.0525 0.2666 2.1362 0.8263 0.1279 1.0861 0.2097 0.9363 3.1379 1.4713 3.2421 0.4936 0.2768 1.6538 0.5448 1.9444 0.9438 0.7898 1.3530 2.0035 1.4197 1.8772 2.9276 0.5715 0.4659 0.3794 1.2163 0.4961 1.2258 0.2750 2.2266 3.3797 1.7062 0.3724 1.0824 2.5439 2.2948 1.5049 0.5323 0.4400 0.8067 0.9563 1.2037 1.5385 0.5689 0.5906 3.8112 4.1440 0.9536 0.2425 0.2589 0.8978 1.7373 0.1728 1.3158 0.2397 0.6761 1.4181 1.0714 0.5203 1.3404 0.3550 1.1950 0.2836 1.6819 0.7210 0.6905 0.2469 2.5886 0.6411 0.8271 0.1549 0.8798 0.4442 0.7689 0.3506 0.5496 0.9901 0.3824 0.7805 0.5675 1.1994 0.8406 0.9688 1.3535 1.4201 0.6940 0.5135 0.4602 0.5543 1.1923 2.1002 0.5631 7.8055 0.2580 0.5851 0.5070 1.2978 1.4547 1.2816 0.2456 1.0053 1.6675 0.1339 0.3802 0.8780 0.7666 0.6173 0.5801 0.7362 1.0927 0.2738 0.6356 0.9521 1.1033 0.6865 1.0759 1.6906 0.7745 1.3974 0.4827 0.8310 0.8052 0.7883 0.5545 1.3958 0.7214 1.6033 0.5585 2.0634 0.6577 0.2264 0.8077 0.5724 0.7504 1.2258 0.6663 1.2697 0.8444 0.9166
5-Nitro-o-toluidine2 1.2915 1.3634 1.0067 0.5810 0.8526 1.9734 1.4435 0.1898 1.0984 0.2927 2.2229 0.7508 0.1183 1.3396 0.2233 1.0481 3.5903 1.3777 3.3270 0.5596 0.2980 1.7795 0.5510 1.9560 1.0804 0.8756 1.4548 1.8755 1.4906 1.9377 2.8202 0.5737 0.5272 0.4149 1.2625 0.4923 1.3054 0.2629 1.8567 3.1491 1.6972 0.3644 0.9814 2.4802 2.3842 1.5337 0.5363 0.5673 0.8092 1.1154 1.4312 1.7867 0.6101 0.7380 3.9958 4.2388 1.0514 0.2654 0.2364 0.8820 1.5026 0.2672 1.1781 0.2598 0.6079 1.5270 1.0571 0.5071 1.3700 0.3918 1.0950 0.2828 2.0678 0.9051 0.6982 0.2743 2.4238 0.6205 0.8090 0.1480 0.9650 0.4216 0.6096 0.4166 0.5099 1.2219 0.3158 0.7257 0.6534 1.1331 0.8428 1.1546 1.2770 1.3533 0.5699 0.6322 0.4951 0.7069 0.5777 1.8312 0.5732 4.3218 0.3042 0.4918 0.5281 1.4152 1.3708 1.1538 0.2849 1.2561 1.5488 0.1519 0.4056 1.0029 0.7325 0.5511 0.6045 0.7463 1.0244 0.2740 0.5977 1.0081 1.0517 0.6528 1.0101 1.9197 0.8544 1.5869 0.5254 0.9627 0.7342 0.9533 0.4458 1.5264 0.9163 1.4921 0.5160 2.6795 0.4359 0.1999 0.8378 0.5056 0.9072 0.8441 0.6353 1.5475 0.8800 0.7665
6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid 1.0811 1.0790 1.2631 0.8426 0.6868 0.7723 0.7100 1.1823 0.9998 1.4409 0.6105 0.8182 1.9044 1.2953 2.0175 0.8441 1.3664 0.8119 0.8936 1.0715 1.3390 1.0769 1.0873 1.7988 1.4978 0.4105 0.6330 0.6970 1.2210 1.0052 1.5697 1.8421 0.8260 1.1899 0.4626 0.8576 1.8609 2.0747 1.4692 0.9220 1.3128 0.9488 0.9534 0.9287 1.1037 1.3066 2.2122 2.3368 1.1842 1.2962 1.1752 0.6698 0.6999 0.7313 1.9609 1.7179 1.4000 1.2730 0.9368 1.1477 0.5738 1.4704 0.8311 1.0458 0.3703 0.9159 1.0730 1.2157 0.7473 1.0658 1.1411 1.4130 1.2243 0.9702 1.5996 0.6989 1.1454 1.6827 0.8558 0.8173 1.2260 1.6394 0.5938 0.7313 0.8218 1.1764 1.2752 0.3124 0.6875 0.4126 0.7121 0.7539 1.0816 1.3259 1.0146 1.0883 1.0823 0.6746 1.9651 1.4969 1.5784 1.1055 1.1303 1.6903 1.3899 0.8582 0.8741 0.7183 0.8417 0.9430 0.9709 1.2998 0.6756 0.7231 1.0761 1.3431 0.6675 1.2683 1.1559 0.9545 0.2998 1.1392 0.9122 0.8003 0.9375 0.6727 1.3351 1.1948 0.2907 0.9091 1.0437 0.4248 0.8037 1.6126 1.1151 0.8851 1.1849 1.1247 0.6937 1.1256 0.9976 1.0137 1.2506 0.9893 0.8230 0.1205 0.8436 0.8613
6-Hydroxypseudooxynicotine1 2.4254 0.6191 0.2400 0.1965 0.1864 0.4955 0.5736 1.9028 0.4080 0.3993 1.4299 0.7376 0.6332 0.7294 1.5848 0.3990 0.3384 1.0299 1.2052 1.0866 1.4739 3.3597 1.5055 0.2593 0.1797 0.1095 0.7224 1.1216 0.9134 2.6619 1.7597 1.3859 0.4703 0.8799 0.3580 0.4052 2.1675 0.2113 2.0869 0.9184 1.0680 0.9283 0.3612 1.1508 2.5489 1.1096 2.5791 3.3072 0.4685 0.4903 1.9746 1.7401 0.2669 1.4758 0.1300 0.7462 0.6255 0.6386 0.6138 0.6032 1.2813 0.8040 1.1495 0.7794 1.7962 1.2867 0.8532 1.3732 0.8317 0.4463 0.7990 0.2855 1.5867 0.4684 0.7841 0.7302 1.6521 0.9106 0.3796 2.2460 2.5986 1.1172 1.6211 1.0521 0.7687 0.3610 0.3901 0.6202 1.4948 1.1197 0.9235 0.6982 0.5606 0.8878 0.8939 0.7365 0.7396 0.9382 0.9709 1.3337 2.0273 0.5917 1.4929 1.0894 1.4683 0.9351 0.8226 1.4988 0.7943 1.2638 0.6944 1.2790 0.7586 0.5530 1.7207 0.7608 1.1370 1.0605 0.4983 0.5311 0.9663 1.2286 1.0049 0.4131 0.3415 2.2444 0.9039 0.8508 0.7266 3.2596 0.9963 1.3035 0.6169 0.5629 1.3132 1.4525 0.9421 2.3304 2.0593 0.9828 0.4740 1.3481 0.8036 0.6962 0.3452 1.8488 0.9921 1.0503
6-Hydroxypseudooxynicotine2 1.1945 1.8371 1.1529 1.2367 0.5603 1.2952 0.7108 1.4792 1.0971 1.2286 0.5698 0.4094 0.5784 1.3445 0.7954 1.2559 1.5287 0.8027 1.2039 0.8080 0.6929 1.1321 1.3877 1.1883 1.1685 0.5663 0.5235 1.7905 1.9618 1.9497 2.2727 0.7868 0.4560 0.5427 0.6338 0.3478 1.2568 1.0415 0.9173 1.4543 1.6087 0.0880 1.6797 1.3858 1.0813 0.7858 0.8762 0.4622 0.7577 0.6220 2.0434 1.6251 0.9997 1.0379 1.6720 2.1487 0.7932 0.7892 1.6314 0.5078 0.8593 1.0677 0.9383 1.3141 0.9341 0.8219 0.6296 1.4704 1.0054 0.7206 0.8816 0.9051 0.8156 1.0480 2.1733 0.6735 2.1063 1.8221 1.5231 1.7451 1.4542 1.7856 0.6341 0.3671 0.9005 0.5103 0.8821 0.3973 0.9295 1.3005 0.8682 0.5795 0.6648 1.1298 1.5145 1.5933 1.4414 1.6339 1.3795 1.1164 1.6973 1.0453 1.5177 1.0837 0.9698 2.5282 3.2076 0.7368 0.6155 1.9691 1.7142 0.8429 1.1318 1.0411 1.1321 0.4094 1.7668 0.6954 0.7321 0.8283 1.5690 0.8176 0.8232 0.7107 0.8462 1.5892 0.1877 0.5993 0.7240 0.9935 0.5108 1.2385 0.3678 0.4570 1.0388 0.6780 1.3055 0.4287 1.2215 0.7134 1.3269 0.3960 0.7468 1.0285 0.7847 1.1295 0.7346 1.2212
6-Methylbenzoxazole1 0.9550 1.2860 0.8096 0.1728 0.1840 1.2469 1.4756 1.2953 0.5637 0.8851 0.3310 0.2466 1.2898 0.7561 1.8245 0.3188 1.2525 0.5581 0.5326 0.6062 1.6592 1.8589 2.8676 0.0142 0.3276 0.6582 0.8059 0.2028 0.9463 0.3596 0.4024 1.6212 0.8588 1.4502 2.4239 0.2417 1.6967 0.2429 0.9685 0.2690 0.5686 1.1344 0.3681 0.5753 0.9283 0.9755 1.2103 1.1362 0.7609 2.3040 0.3633 1.0000 0.2063 1.6908 2.5983 4.3942 0.2332 0.8505 0.3751 1.0665 0.8157 1.4693 0.1585 0.1643 0.0492 0.4026 0.4486 0.2099 0.5124 0.9458 0.4781 0.4930 1.2939 0.1676 1.2197 2.3445 0.6599 0.3053 1.2311 1.5919 1.4257 1.1857 0.6016 0.9552 1.1336 2.4556 0.3960 1.4612 1.6037 1.4797 0.6493 1.6613 0.9980 1.1543 0.6103 2.2179 0.3470 0.9827 0.6779 0.9033 1.7829 0.2580 2.4591 1.4578 0.5752 0.9945 1.4618 1.1014 1.1339 0.9412 1.3938 3.1784 0.0087 1.8967 1.5705 1.1050 0.8030 3.7363 2.3437 1.2226 2.0266 0.9197 1.2681 1.4394 0.2205 1.2835 0.4173 0.3994 0.2823 1.8466 0.6503 0.4211 1.3314 1.8056 1.1390 2.7290 2.0780 0.8247 1.1005 0.7340 1.4537 2.1316 1.0634 1.0794 0.8416 0.9824 0.8924 0.5660
6-Methylbenzoxazole2 0.0424 0.1683 0.3701 3.3533 3.2153 0.1901 0.0831 0.6539 0.1027 0.0165 2.2678 3.1186 0.7306 0.1511 0.0667 0.1187 0.8545 5.0128 2.0379 0.1925 3.4971 0.1556 3.8180 0.0377 0.1383 0.8901 0.3373 1.0141 3.6000 0.9856 1.2947 1.0668 0.2356 0.1945 0.0234 2.8329 0.6775 2.9732 0.1321 3.4293 7.3327 9.9903 1.5919 3.6273 3.0524 2.8181 0.0717 0.1348 0.1186 0.1738 0.1458 0.1120 1.4200 3.9754 1.5293 5.2784 0.4524 3.9555 0.0365 0.1253 7.0533 1.2942 2.2971 1.0399 0.8692 0.0434 0.3246 1.8027 4.2519 0.1100 1.2577 2.4167 0.4845 2.5180 1.3729 0.0848 3.2229 4.0429 1.0200 0.1313 0.0979 0.0413 0.4978 0.3085 0.0857 0.1609 0.0550 0.0524 0.0374 0.1285 0.4804 0.1023 0.5469 0.7233 0.3978 0.0629 0.0793 0.0255 0.1493 0.7834 0.1349 0.1575 0.0975 0.0641 0.0474 0.2907 0.0818 0.0974 0.0672 0.0441 0.9114 0.1291 5.9278 3.8288 0.0986 0.8301 0.0668 0.1728 0.1879 0.0293 0.1183 0.5653 0.1129 1.0034 2.3627 0.9504 0.0150 0.1486 0.1724 0.1193 0.0687 0.0906 0.0491 1.4241 0.0426 0.0398 0.1354 0.0591 0.1462 0.1247 0.0582 0.1230 0.5208 0.1148 0.6779 0.1129 0.6684 1.3853
7alpha-Hydroxycholest-4-en-3-one 0.9738 0.3524 1.3556 0.3995 1.0726 0.7028 0.2957 0.1378 0.7159 0.3369 1.0918 2.2419 0.1814 1.4527 0.1206 3.0253 0.4224 4.2557 2.3909 1.7323 0.4954 1.2248 0.6615 0.9924 0.1924 2.8811 4.2825 5.2177 0.3472 1.4553 0.5179 0.5311 11.3942 1.8190 0.4616 0.7159 2.5624 0.1660 3.8059 1.1451 1.5363 1.9372 0.2788 0.7489 0.5531 0.1538 2.4546 0.6802 1.2829 1.2951 0.5178 0.8968 3.4324 0.6264 3.1623 1.9872 0.6403 0.2002 1.5668 0.9178 0.7413 0.1792 6.8833 0.8593 1.0227 0.8358 1.1234 0.2146 1.5181 0.5908 0.1420 0.1914 1.1687 0.3311 3.0028 0.4439 0.9443 0.6495 0.2269 0.4542 0.4097 0.3768 4.4475 2.3507 0.5769 0.3967 1.3415 1.1133 0.2367 1.3391 0.6703 0.5964 1.1001 0.7937 0.6515 0.2695 0.4397 0.1955 0.3584 0.1026 0.6339 0.4150 0.4386 0.5758 0.1706 0.1943 0.1795 1.4905 0.6317 0.3279 1.0235 0.3207 0.3291 0.9645 0.8160 1.0989 0.7316 0.4307 4.5021 0.4310 1.4155 0.8783 0.2189 0.2969 0.9929 0.6565 1.7492 0.8753 2.0241 0.4456 0.2890 0.2848 0.1741 0.5984 0.1376 0.3254 0.1915 0.4925 1.9742 0.7701 0.6336 1.3839 1.1288 0.3548 0.2450 1.2297 0.4923 0.8912
8-Amino-7-oxononanoate 0.7999 0.6510 1.6043 0.9814 1.2128 2.3420 1.5372 2.0048 1.8467 1.8570 1.3483 1.1632 1.6586 0.9912 0.4777 1.0088 1.1145 0.5332 1.0900 0.3495 0.3850 1.1439 1.3253 0.9556 1.0275 0.5217 0.8139 2.1304 2.2511 1.9757 2.1971 1.4434 0.3599 0.3445 1.1797 1.0409 0.7111 1.0081 1.6415 1.9142 0.8664 0.9631 1.5278 1.2226 0.4824 0.5862 1.2053 1.8414 0.9359 0.5674 1.8990 1.1305 0.4558 0.6801 1.3186 1.3628 1.3002 1.0158 2.0495 0.5437 1.2635 1.5392 0.8634 2.1408 1.0333 1.0224 0.7355 1.3820 2.1558 1.1532 0.8401 0.7612 1.0877 0.9141 1.1282 1.0054 1.0632 1.3449 1.3417 0.8585 1.1449 2.4118 0.9027 0.6478 0.7604 0.6322 1.2201 1.0627 0.8985 2.7364 0.5653 0.6599 1.5328 0.8351 1.3935 1.7714 1.6892 1.2102 1.0678 1.1457 0.7787 1.4148 1.4838 0.6593 0.5459 3.1175 3.1703 0.8155 1.1285 0.9574 1.6730 0.9057 1.8742 1.0914 0.7154 0.1929 0.7578 0.9906 0.6425 0.8089 0.6366 0.3193 0.3195 1.0069 2.0790 1.4429 0.0565 0.3032 0.6673 0.9184 1.0907 1.3123 0.7609 0.1214 1.1721 0.8266 0.8753 0.5956 1.3218 0.3963 0.7281 0.4646 0.2027 0.7087 0.4037 0.3466 0.5861 1.2821
9,10,12,13-tetrachloro-octadecanoic acid 2.8296 0.5016 1.7400 0.5005 0.1671 0.6505 0.6405 0.4702 0.3068 0.3163 0.2645 0.5232 0.8000 0.2351 5.5214 3.4035 0.7834 1.4889 0.8041 0.5817 0.6956 2.2187 0.6642 1.6731 1.4669 1.0693 3.7889 3.3410 2.2676 2.3575 1.3104 0.2995 4.7443 2.7992 1.0269 0.8864 1.5610 0.7944 1.2957 0.7561 0.6969 0.8062 0.6063 1.4831 0.8788 1.1931 1.8586 0.7747 0.8682 0.6486 0.2487 3.0035 1.5862 0.4633 2.6519 5.5678 0.7471 0.2417 0.9927 0.6337 0.9587 0.9401 0.4083 0.2877 0.8723 1.8498 0.4007 0.3804 0.6366 0.1774 2.5946 0.3285 1.9154 0.2015 0.9716 0.8487 0.7134 0.9090 2.5547 0.6779 0.6540 0.2237 0.2688 0.1908 0.4139 0.3813 3.1397 1.2659 0.4190 1.2659 2.5705 0.3527 7.7814 0.4266 1.5830 2.9843 4.8258 0.2473 0.9230 0.6267 0.8552 0.7316 1.3693 0.6368 0.4339 0.8715 0.4422 0.4066 2.2064 1.1051 0.5788 1.3166 0.0819 1.0389 1.2916 0.3187 2.3977 1.0306 1.4299 1.9557 6.3681 0.9127 1.5651 0.5455 1.4532 0.1763 1.2841 0.8213 0.7150 0.3940 0.5724 0.4712 0.3953 0.3087 0.2675 0.7265 0.2663 0.3992 0.9799 0.2475 0.2024 0.1646 0.4350 0.1819 0.3159 0.2738 0.0774 0.0821
9-amino-nonanoic acid 0.1789 0.1402 0.1619 0.1301 1.9162 0.2926 0.5644 0.2332 0.4917 0.1422 0.1417 1.5226 0.1698 1.4982 0.4017 0.2064 0.1598 0.1955 0.1563 0.8333 0.2573 1.0114 0.7941 1.9542 0.6067 0.1438 0.2138 0.1548 0.1506 7.1607 0.2735 0.1595 0.3220 1.2712 0.2660 0.3774 3.7968 0.8388 24.1055 0.5662 0.2944 0.2189 0.1628 0.1521 0.1726 0.1725 0.1669 0.9178 0.1508 0.1643 0.8925 0.7344 0.1604 0.1434 0.1440 0.1597 0.6514 0.5287 0.3124 0.7785 0.1483 0.1506 1.0368 8.6914 2.2600 0.3004 0.1902 2.1315 0.7097 0.1553 14.3680 4.9307 1.0050 0.7488 0.6904 0.5130 0.3224 0.2173 0.1799 0.2211 0.5996 0.6012 0.5573 0.3389 0.4899 0.3357 0.3075 0.1849 0.2094 0.8321 0.9083 0.6898 0.6613 0.7032 0.5218 0.2745 0.6317 1.6172 1.0565 1.0595 0.7450 0.6463 0.6083 0.3086 0.2420 0.2034 4.0503 0.3639 0.3735 0.2120 0.8665 4.4344 0.1330 0.2861 0.7329 0.6673 0.7250 0.3040 0.2535 0.1809 0.2205 0.5574 0.6772 0.6266 0.8297 1.0077 0.2338 0.4406 0.7992 0.7454 0.4176 0.1803 0.1790 1.0079 3.1363 0.7480 0.8480 0.3215 0.9576 0.7522 0.2090 1.0589 2.7953 0.7972 1.0042 0.6609 0.9428 0.7178
Acetyl-L-carnitine 0.9063 1.2910 0.6890 1.1332 0.9600 1.2918 1.0126 1.1881 1.0974 0.9498 1.4814 1.2143 1.5515 1.1325 1.3642 0.8106 1.2055 1.0308 1.2512 0.6619 0.7630 0.8082 0.9288 0.9556 1.2680 1.2233 1.0603 1.2524 1.3632 0.7533 0.9790 1.4042 0.9866 1.0570 1.6737 0.9368 1.2736 1.4380 1.0424 0.8713 1.0423 1.3252 1.3393 1.1439 1.1726 0.9893 1.0463 0.9937 1.1250 0.7294 1.2809 1.4690 0.6516 1.2107 1.5058 1.4209 1.4818 1.3236 0.8854 1.0048 0.8304 1.4147 1.0348 1.2006 1.2836 1.1233 0.8053 1.0155 0.9412 0.8261 1.0802 0.9264 1.0373 0.9949 1.3635 0.8589 0.9464 1.0449 0.8972 0.9218 0.8779 1.2570 0.7938 1.1306 0.8680 1.4461 1.2185 1.1332 1.0393 0.8856 0.9702 0.8577 1.5300 1.2223 0.9060 1.2034 1.1064 0.9157 1.1341 0.9785 1.1718 1.3925 1.1013 1.1335 0.9611 0.9438 1.2021 0.8590 0.8296 0.8522 1.2133 0.9721 1.5022 0.9677 0.8925 1.1968 1.1164 1.5628 0.9497 1.1372 1.3605 1.1673 1.0548 0.8427 1.0176 0.9040 1.4933 1.1186 1.0749 1.3480 1.2067 1.4838 1.1403 0.8537 1.0280 1.1331 0.8670 0.9742 1.0626 0.9225 1.1655 0.8487 0.8710 0.9694 0.9868 1.1607 0.7299 0.9816
Actinozine A 0.6734 8.1365 0.1962 1.7313 1.5103 0.8629 0.1760 1.2292 0.3357 0.5376 1.7845 0.3511 0.8318 1.5433 9.4123 0.0922 3.3149 1.4535 0.8142 0.3054 0.3966 0.1118 0.1201 1.2863 2.6913 0.9124 0.3552 1.3196 2.8803 0.2954 0.4180 2.8736 2.3142 0.4573 3.7505 1.7801 0.7338 2.6938 2.6121 0.1741 0.9896 0.9473 0.4362 0.7416 0.6628 2.2868 0.2777 0.2922 0.5061 0.3842 1.7944 0.5871 0.1090 1.1586 0.7487 0.5065 8.5363 2.7869 0.3968 0.6124 0.5716 3.9985 0.5080 1.0677 0.4266 0.8286 0.3475 0.2050 0.2944 0.6430 0.4138 0.5103 0.3574 1.3008 0.6990 0.1402 0.8422 4.6381 0.4536 1.5701 0.1374 0.5223 1.4264 1.3582 0.3106 2.8132 0.3611 0.2249 0.2388 0.7279 0.3454 0.3092 4.0759 1.3670 0.3334 3.5759 0.3752 0.3522 0.2196 0.1971 0.4298 1.1613 0.5552 1.3463 0.6311 0.0428 0.3424 0.1750 0.3103 0.0661 1.5599 0.9233 1.3086 0.1976 0.2726 1.4894 0.4734 1.2133 0.4885 0.4539 0.6142 0.1940 0.2964 0.1958 0.2331 0.2629 0.2859 0.7645 0.1805 2.0577 0.2343 0.6800 0.6102 0.2408 0.1090 0.3033 0.0620 1.3939 0.8063 0.5867 0.4683 0.0810 0.3428 0.1211 0.1073 2.1056 1.0333 0.5044
Akodionine 2.7283 0.6767 0.9125 0.2471 0.8435 1.2408 0.5863 0.8475 0.5122 0.3156 0.3058 0.6920 0.5299 1.0908 1.1226 0.3151 0.5016 1.1573 0.7109 1.0772 1.1565 0.7390 1.3245 0.3615 0.8176 0.2348 0.5115 0.8834 1.9624 0.6308 1.6396 1.1758 0.2865 0.8344 0.6063 0.8147 0.4256 0.8099 2.3944 0.5418 1.5603 1.4716 0.8935 0.8665 0.5473 0.3539 2.5154 2.1170 0.4749 1.7895 2.2328 2.9495 0.6747 1.2714 0.6221 1.2053 0.8917 0.4579 1.1326 0.2206 0.9844 0.7938 1.0694 0.2615 1.4823 2.1606 0.7607 1.8245 0.4183 0.3563 1.0056 0.6096 0.4889 0.2930 0.4923 2.3534 0.7375 1.3870 0.5797 1.7877 2.9531 1.5248 1.2422 1.1953 0.2023 0.3690 0.5762 0.5881 0.6069 1.0932 0.9690 0.5619 0.9142 0.8223 1.0830 1.4161 0.6740 0.7838 0.6395 1.2122 1.8409 0.8304 2.3123 0.7260 1.7857 0.4722 2.2275 0.8525 0.7864 1.5805 0.9105 0.5156 0.5761 0.8741 1.0362 1.0308 1.4001 1.8982 1.1720 0.7941 1.7026 0.6468 0.7298 0.7343 0.3080 1.4425 0.4937 0.9139 0.3341 1.5427 0.6275 0.4315 0.8545 1.2805 0.4870 1.4445 0.4870 0.4103 1.3886 0.9320 1.0544 1.2553 1.6181 0.8050 1.2897 1.4866 1.3315 1.1982
Allopurinol 0.4350 1.1832 0.3607 0.7171 0.6030 1.7876 0.8830 0.2859 0.7698 0.8146 0.2546 0.7092 1.6536 0.6323 3.0502 0.8100 0.2773 1.6040 1.4914 0.7427 0.6021 0.8550 0.4850 1.1572 1.0701 0.1951 0.4259 0.1676 0.8165 0.5734 1.4342 1.2621 0.2836 1.1177 0.7802 1.0129 0.5095 1.3045 0.3968 1.0169 0.4168 0.5859 1.4880 1.1466 1.0696 0.4831 0.7237 0.7073 1.5907 0.6512 1.5255 0.5048 1.9856 2.3813 1.9124 2.4548 0.5501 1.0160 2.4108 0.6616 0.8501 2.7645 0.6425 1.6767 1.9682 2.1227 1.0543 0.3607 0.6809 0.9078 1.0213 1.4253 0.4118 1.1250 0.3676 1.4788 2.0325 1.3656 0.7156 1.2399 0.5742 3.5182 0.6193 4.1732 1.6635 1.3155 0.6004 1.9337 1.2193 0.8384 1.5157 0.5093 1.2742 1.6570 2.0276 4.1591 1.5458 2.2305 0.4492 1.7398 2.2173 2.2252 2.5699 0.8248 1.3367 1.3652 1.5366 0.8775 1.0103 2.1037 0.2950 2.7646 0.4966 0.2973 2.1733 1.2678 1.0303 0.8195 0.4849 0.4629 1.8931 1.7564 1.7241 0.9756 1.5746 3.4139 0.9066 0.3836 1.5923 0.8001 0.5702 0.4716 0.4675 0.6850 1.2030 1.5275 0.3380 1.7261 0.7189 0.5677 0.2410 0.8039 0.4488 1.9265 0.7658 0.3024 0.2481 0.2594
allylcysteine 0.5562 0.1478 0.2003 0.2693 0.1467 0.0505 0.4961 1.0541 2.9623 1.7120 2.2078 0.8010 6.0329 0.0240 0.7434 0.8389 0.2738 0.1084 0.3220 1.3318 0.4264 1.4124 0.1781 0.8100 0.0984 0.1449 0.4424 0.2395 0.0494 0.4341 0.0214 0.1570 0.0565 0.0810 0.0742 0.3301 0.4801 0.0928 4.2716 1.8314 0.4626 0.1598 0.2803 0.3856 0.0950 0.1213 0.1176 0.2577 0.0220 0.1030 0.9338 0.7426 0.9740 0.2715 0.8763 1.4371 0.0353 0.3767 0.0248 0.0342 0.9644 0.5569 2.5543 1.9639 1.1766 0.1667 0.4139 0.4109 0.2309 0.1598 1.1892 1.3920 0.9571 2.4400 0.4387 0.3452 0.1029 0.2820 1.5595 1.8701 0.0486 0.3491 11.5777 0.4820 1.2260 0.0254 1.0748 1.1865 4.1460 0.6118 0.1373 0.0248 1.8082 0.8022 2.4302 0.6990 0.0910 0.1135 0.8087 6.7933 2.4651 0.6531 0.2141 0.2795 0.7317 0.6648 0.6767 0.1204 0.0728 0.2319 0.5063 0.4451 1.0835 0.0528 0.7646 8.9609 0.2012 0.3339 1.5899 0.4081 1.5033 2.3651 0.2095 0.5609 0.0416 0.0996 1.0516 0.3334 1.4313 3.2319 0.1604 0.2683 0.5692 1.5786 4.8023 4.4413 5.7734 0.7477 2.9967 2.3695 0.1374 0.1353 2.0874 1.6745 2.9376 0.4564 0.8388 1.6484
Asperophiobolin A 0.7252 0.6221 0.1450 0.5062 0.4279 0.4814 0.0437 0.4084 0.1604 0.2855 0.0532 0.4995 0.3442 0.3321 1.3199 0.5105 0.7270 1.4725 0.1151 1.7805 0.2485 0.2787 1.2534 0.8093 0.8592 0.3257 1.5185 0.4610 0.3811 0.5945 0.8106 0.4535 0.3500 1.9983 0.1318 0.3689 0.1382 0.2329 1.0776 0.5194 1.6181 5.7359 0.9236 0.1692 0.8395 3.3563 1.0506 7.2421 0.6575 1.0124 0.6132 0.8937 0.5154 0.7249 0.6171 0.7929 0.0713 0.7096 0.7253 11.3956 0.3158 2.4635 0.3858 0.5219 0.3043 7.7563 3.2385 2.3787 0.6064 0.6554 0.1685 0.4890 0.9319 0.2042 0.5139 2.1127 0.4279 0.5781 0.8291 0.7385 0.2562 0.0988 0.2509 2.1023 0.8522 1.3859 0.6485 0.4402 0.3516 0.1425 0.3220 1.0598 0.0423 0.2842 0.8795 0.5675 0.9018 3.3038 0.0666 0.9537 1.3754 1.1954 0.2102 0.0334 0.0694 0.6373 1.3858 1.9332 2.7262 0.1873 1.9146 2.2190 0.2910 0.6561 0.2570 0.6888 0.2774 0.7984 0.2734 0.0609 1.8882 1.0522 0.3066 0.2404 0.6603 0.0751 0.0851 0.3021 0.1266 0.2434 0.6292 0.0593 0.1932 0.9621 0.7519 0.2308 0.4557 0.4301 0.4330 1.8110 0.1921 4.5020 0.8269 1.8734 0.2059 0.2570 1.7025 0.8727
Asperophiobolin D 1.1316 1.3582 0.1145 0.6152 0.3044 0.5353 0.2469 0.7226 0.2147 0.1812 0.3492 0.2695 0.5593 0.3201 2.0604 0.3568 0.7168 1.5073 0.0093 0.9576 0.4390 0.6272 1.8898 0.4849 1.3286 0.3866 0.6880 0.7066 0.3528 0.4665 0.7478 0.7033 0.2592 2.0020 0.3172 0.4316 0.1142 0.2533 1.0847 0.5933 0.6422 2.9493 1.1840 0.4871 2.0050 2.1814 0.9685 4.2805 0.8323 0.9163 1.2348 1.2636 0.3429 0.2291 0.5985 0.6419 0.0912 0.4120 0.5932 4.9997 0.5260 1.6183 0.1291 0.7835 0.2637 6.0680 3.1598 2.2826 0.5922 0.4728 0.4193 0.6056 0.5320 0.1441 0.3007 1.8309 0.3345 0.4035 1.0997 0.9108 0.0209 0.1492 0.1578 1.6939 0.6504 1.2945 3.3967 0.8165 0.3586 0.1971 0.4531 2.3370 0.0281 0.8219 0.7808 0.3721 1.0647 5.9128 0.1396 0.3914 0.7056 0.4537 0.0835 0.2153 0.0794 1.0814 1.6025 1.6742 4.3191 0.1674 2.4435 2.1073 0.6341 0.5681 0.2986 0.9167 0.5913 0.6581 0.3788 0.0465 1.4687 1.5570 0.1869 0.1705 0.6510 0.1240 0.1315 0.2241 0.1419 0.3550 1.1142 0.1187 0.6267 0.5447 0.5001 0.2641 0.1741 0.1817 0.5936 1.0577 0.2713 1.5131 0.6881 1.6843 0.1433 0.2860 2.1470 1.2285
Aspewentin A 1.0469 0.9814 0.7593 0.2436 0.3326 0.3246 0.4190 0.6318 0.6090 0.3111 0.4367 0.6815 0.3617 1.8367 1.9488 0.1666 0.3785 0.1202 0.3094 0.6817 1.3827 1.5082 0.7558 1.1280 0.7905 4.3579 3.3862 1.4259 1.6688 0.4078 0.1929 0.1545 0.6260 0.2570 0.1305 0.1503 2.3704 1.4943 0.6444 0.1788 0.0781 0.0766 0.4312 0.5255 1.1393 0.5828 0.2427 0.2643 0.5787 0.5270 0.2899 0.1313 1.6554 2.4727 1.5026 1.1148 0.7401 0.5604 0.2392 0.2281 1.6287 1.5861 1.3603 0.7689 0.4900 0.4747 0.2696 0.3130 0.5854 0.7161 0.4273 0.3435 1.2617 0.3547 0.2321 0.3149 0.7815 0.5499 1.7040 1.8248 0.6429 0.4856 1.0506 3.1804 1.0260 1.1742 0.5270 2.1859 1.9829 0.6988 1.0909 1.2130 1.9402 1.4151 0.3016 0.1558 1.3391 1.1795 1.5580 2.4523 2.4520 1.7681 1.2236 0.4330 0.4653 0.6359 0.4432 0.7743 0.3904 0.2095 0.6718 1.5579 0.2325 1.6561 0.2912 2.4082 0.4416 1.5912 0.9459 1.8960 0.7608 2.1298 1.4557 0.6939 0.2635 0.4486 4.0126 1.9717 1.5117 0.7794 1.5228 0.6521 1.9870 2.0194 0.9363 2.1146 3.0176 0.9852 0.0807 1.6468 1.4385 0.8164 0.6497 2.7917 2.9796 1.1949 1.1675 1.0339
Atenolol 0.1795 0.1704 0.1931 0.1838 15.7868 0.2113 0.1802 0.1698 0.1858 0.1736 0.2344 0.1951 0.2136 0.2011 0.2237 0.2104 0.1925 0.2001 0.1987 0.1701 0.1611 0.1923 0.1816 0.1766 0.1888 0.2113 0.2061 0.2141 0.2259 0.1840 0.1715 0.1889 0.1960 0.1699 69.5925 0.1759 0.2085 0.2139 0.1917 0.1743 0.1888 0.2086 0.2217 0.2117 0.2038 0.1685 0.1732 0.1612 0.1940 0.2587 0.1790 0.2010 0.1652 0.2037 0.2459 0.2287 0.2308 0.2191 0.1750 0.1875 0.1738 0.2204 13.0719 0.1947 0.2097 0.1809 0.1802 0.1805 0.2071 0.1637 0.2095 0.1780 0.2080 0.1784 0.2294 0.1668 0.1863 0.1982 0.1817 0.1519 0.1926 0.2185 0.1937 0.1986 0.1917 0.1922 0.1924 0.2275 0.1681 0.1846 0.2005 0.1635 0.1943 0.1793 0.1737 0.2143 0.1754 0.1547 0.1738 0.1950 0.1709 0.2139 0.1876 0.1802 0.1679 0.2091 0.1949 0.1602 0.1744 0.1648 0.1907 0.1735 0.2259 0.1792 0.1657 0.1923 34.8256 0.2242 0.1785 0.1794 0.2361 0.2185 0.1802 0.1816 0.1928 4.0535 0.1982 0.1660 0.1657 0.2429 0.1767 0.1986 0.1884 0.1676 0.1707 0.1948 0.1812 0.1885 0.1693 0.1655 0.1834 0.1709 0.1490 0.1808 0.1974 0.1712 0.1673 3.8396
Bendiocarb 0.4069 1.0996 0.3792 1.4563 0.9972 1.1133 0.7182 1.1957 0.2341 0.2805 0.8055 0.3199 0.8379 0.3483 0.7447 0.1673 0.9951 2.9580 0.9820 0.5085 1.0515 1.7161 2.4475 0.0729 0.5810 0.7021 0.5524 0.4547 1.3095 0.7361 1.3227 2.5714 0.4474 1.2653 1.6677 0.6420 1.3904 1.0470 0.9147 1.0761 3.7817 4.6125 1.0848 2.0579 1.0852 1.5439 0.8829 0.9952 0.3079 0.4308 0.9891 3.1979 0.0649 1.2368 2.3243 4.1631 0.5183 3.5261 0.3298 0.6561 1.4961 1.0403 0.4680 0.2395 0.5017 0.4601 0.3219 1.0897 0.5873 0.7767 0.6500 0.9334 0.6827 1.4431 0.8823 1.4236 1.8031 1.5612 0.5487 0.9762 0.7340 1.3748 0.3310 0.4071 1.6754 2.6839 0.6553 0.6386 1.3311 1.0288 0.3553 2.6296 0.5926 0.7707 0.2502 0.9554 0.3921 1.3968 0.4861 0.4759 1.2182 0.4728 1.5406 1.5961 1.4323 0.7799 2.3493 1.1089 1.3840 2.1638 2.0861 1.3432 1.4306 1.2398 2.1661 0.6809 1.8371 1.9934 1.5866 0.4682 1.6377 0.1691 1.0454 1.1214 1.0392 1.1196 0.0765 0.2366 0.0646 1.7975 0.5940 0.4482 0.5782 0.9331 0.5732 0.7763 0.7613 0.9703 1.4103 0.9129 0.8456 0.9365 0.5428 0.3330 0.1184 2.0248 0.7368 0.9771
Benzaldehyde 1.2622 0.8743 1.0923 0.5963 0.9081 0.9996 1.1072 0.5954 1.0673 0.7980 0.9738 0.8265 0.6668 0.9071 0.7069 1.1514 0.7696 0.7166 0.7777 1.2211 1.0982 1.1960 0.9842 0.9503 0.8165 0.8428 1.1230 1.2044 1.0182 1.4926 1.0041 0.8508 0.8788 0.5969 1.0106 0.6590 1.0960 0.7140 1.0822 1.0012 1.2224 1.0056 0.9579 0.8864 1.1899 0.7184 0.9619 0.8150 1.4622 1.0392 1.4238 0.9231 0.9887 0.7630 1.3276 1.2636 0.9644 0.7874 1.5020 0.9560 1.1239 0.7328 0.8559 0.7506 0.9239 0.9114 1.1379 0.9695 0.9384 1.0499 1.0100 0.8505 1.1676 0.6754 0.8668 1.0839 1.1380 0.8771 1.1363 1.0880 1.0752 1.0741 1.2848 1.4699 1.0324 0.7024 1.0129 1.5334 1.0156 1.3064 1.2181 1.0585 1.0440 1.0808 1.1039 1.0383 1.0503 0.8858 1.1808 1.2777 1.1427 1.2005 0.9678 1.2194 0.9589 1.7190 1.3350 1.1838 0.8977 0.8763 0.9148 0.9719 0.5073 0.8796 1.1798 1.3212 1.2329 0.9610 1.1145 1.3752 1.0304 1.4312 1.0950 1.1837 1.1711 0.6980 0.9710 0.9377 0.9888 1.2859 1.0388 1.0133 1.1032 1.2862 1.2479 1.4862 1.4053 1.2310 1.3898 1.3673 1.0451 1.0780 0.9579 1.3572 1.1720 1.1335 1.0601 1.0491
Benzocaine 0.8390 0.6483 1.7643 0.3860 0.7071 0.5972 1.4876 0.5327 1.3390 1.1273 1.2922 1.0808 0.4349 1.3167 0.8213 0.8131 1.0116 1.0744 1.0251 1.5307 1.5100 1.8378 1.3379 0.5922 0.5077 0.9770 1.7647 1.2746 1.1420 2.8866 1.5806 0.7141 0.7800 0.3824 0.8143 1.0521 0.7384 0.6017 1.0443 1.3852 1.0790 0.9355 1.0150 0.9327 1.3905 0.9098 0.7916 0.7121 1.7680 1.3451 1.2851 0.9117 1.2533 0.5100 1.0912 1.1295 0.5348 0.4183 1.2305 0.7837 1.0281 0.8937 0.7957 0.8044 1.1446 0.9015 0.7886 1.0265 1.5999 1.3948 0.6828 0.6731 1.0847 1.2266 1.3021 1.1402 0.8969 0.8792 1.8630 1.3065 0.6413 0.6717 1.3695 0.6649 1.1816 0.7152 1.1437 0.7850 0.7121 1.1810 0.7450 0.8170 0.7297 0.7096 0.7093 0.8377 0.8327 0.6574 1.0595 1.2772 0.8089 0.8828 0.7980 1.2467 0.5998 1.9182 1.8639 1.2094 0.4752 0.9964 1.0841 0.5126 0.4765 0.5339 1.2763 0.5262 0.8958 1.1113 1.4979 1.5093 1.5168 1.6840 1.7212 1.5562 0.5927 1.0086 1.2597 0.4652 1.0894 1.4604 0.7867 0.6141 0.7180 0.7932 1.1794 1.5271 1.3104 1.1438 0.8264 0.9770 0.7837 0.5875 0.7951 0.7816 1.1694 0.8065 1.2062 1.3671
Betaine1 0.8694 0.7244 0.7652 0.7055 0.7737 0.8528 1.0108 0.8921 0.9086 0.7123 0.8991 0.7078 0.6179 0.8820 0.9183 1.0039 1.0381 0.5821 0.9728 0.8633 0.9714 1.0363 1.0649 1.0891 0.7389 0.8434 0.5309 1.0739 0.8426 1.1519 1.1976 0.7371 0.7866 0.8653 1.0700 0.6527 0.9156 0.9109 0.6788 0.6174 0.6941 0.4776 1.0063 1.1001 0.9906 1.0382 0.6698 0.6621 1.0830 1.0306 0.6715 0.6223 0.8910 0.9299 1.0299 1.0156 1.1843 0.7100 0.7744 0.8344 1.1493 0.8873 0.7765 0.6836 0.8445 0.8184 0.9360 0.9952 0.9456 1.0445 1.1210 0.8957 0.9658 0.9241 0.8485 0.9891 1.1420 1.0116 1.0188 0.9679 0.7274 1.2220 0.6380 1.0384 0.7631 0.8569 1.6503 0.7339 1.0532 1.2283 0.8476 0.8938 1.5170 1.3849 1.1069 1.5038 1.4636 0.7587 0.6598 1.5009 1.4363 1.5426 1.3859 1.7657 1.6885 1.2431 1.2793 1.4076 0.6948 0.7357 1.6250 0.9831 0.6997 0.8870 1.8096 2.1344 1.1006 1.5655 1.4966 1.1506 0.6596 2.1124 1.3373 0.4570 0.8756 1.4697 0.9979 0.9108 0.9502 1.5166 1.6344 0.8927 2.0839 1.5897 1.9515 1.4874 1.7794 1.6073 1.0872 1.6217 0.8414 1.3753 1.2160 1.7588 1.9097 1.7215 0.8990 0.8295
Betaine2 0.9974 0.7833 1.0644 0.8464 2.0560 1.4380 1.1980 0.8765 1.2453 0.9148 1.3415 1.4353 0.9248 1.3002 1.0197 1.0966 0.6579 1.1992 0.8505 0.9688 1.1052 1.2531 1.1192 1.0947 1.1103 1.4222 1.1155 1.1261 1.1744 1.3357 0.8459 0.7799 0.8649 0.7960 1.0942 1.0309 1.0952 0.9746 1.0819 1.0058 0.8552 0.7923 0.9263 0.9101 1.1620 0.5631 1.0390 1.0867 1.0281 0.7882 0.9949 0.9280 1.0846 0.8624 1.4333 1.1124 0.9633 0.6657 1.0394 1.1948 1.2366 0.8846 1.0239 0.8553 1.2274 0.8810 0.9137 0.6564 0.9398 0.9086 1.1875 1.1420 1.3571 0.7691 1.2056 0.8738 1.1948 0.8348 0.8879 0.7439 0.9043 0.7731 1.4717 0.9097 1.1086 0.8984 1.0584 1.4346 0.7598 1.6696 1.1339 1.1768 1.3266 0.7561 1.1418 1.2368 1.0141 0.8122 0.9345 1.2821 0.9784 1.4840 1.0680 0.8321 0.8408 1.7607 1.4389 1.1070 0.9866 0.8331 1.0042 0.8374 1.0711 0.8678 0.9326 0.9167 0.7972 0.9885 1.1269 0.8272 1.9162 1.2845 0.9046 1.0687 1.0220 1.3333 1.1632 1.0569 0.9573 1.0105 1.2591 0.7898 0.7102 0.9124 0.8716 1.7633 1.0739 0.9464 0.7575 0.8183 0.8522 0.9845 0.8787 1.2398 1.0689 0.8566 0.9652 0.9551
Betanechol 1.8042 1.5286 0.8270 0.6128 1.5698 2.7236 0.6115 0.6940 0.9630 0.7604 0.6279 0.6300 0.9058 0.4715 0.7315 1.0623 0.8470 0.6271 0.4892 0.7687 0.9300 2.2915 2.9135 2.0579 1.3576 0.5608 0.3208 2.2304 1.8492 0.5233 0.4222 0.6005 0.3051 0.3693 0.2853 0.1623 0.3605 0.3313 0.5840 0.5983 0.5674 0.8075 3.7758 3.5407 3.8505 3.3816 0.2778 0.2474 0.5697 0.3982 0.7989 0.6073 0.3266 0.2540 1.1006 0.9244 0.3992 0.3817 0.3294 0.3882 2.7441 4.3812 0.1684 0.2657 2.4042 2.3538 0.8095 0.9350 0.3646 0.2509 0.5355 0.5952 0.1775 0.5260 0.3074 0.2234 0.5731 0.7079 0.6146 0.6814 0.2085 0.3196 0.6578 0.8891 0.4747 0.8137 0.2432 0.6974 0.4370 0.7148 0.1388 0.1420 0.8694 0.5726 1.9643 3.2088 0.2169 0.1776 1.0274 0.7034 0.6287 2.9582 4.3875 0.5022 0.4622 0.6954 0.7574 0.3888 0.3015 1.3346 0.5184 0.8478 0.5638 0.2720 2.5798 1.3859 0.2424 1.0652 0.7103 2.9384 1.4021 0.9254 1.0125 2.7529 0.1991 3.2492 0.5370 0.4735 0.6653 1.1400 0.2028 0.2852 0.3240 3.4432 0.2168 0.9850 5.0067 3.1595 0.3117 3.9077 0.4088 0.5827 2.4841 0.9027 4.3520 2.4676 0.6750 1.1030
Bilirubin 0.6963 1.4405 0.8007 1.0007 0.6982 0.7664 1.0927 1.2055 1.4853 0.7745 1.7266 1.0864 0.7774 1.7705 1.5906 0.6010 1.4664 0.9226 1.3270 0.7117 1.6100 0.9425 1.3970 1.4562 1.1720 1.7070 0.8828 1.3711 1.1688 0.9679 1.4526 1.4588 1.0169 1.1044 0.9533 0.6243 1.0565 1.7696 0.8762 0.8980 0.8244 1.5037 1.5521 2.3175 2.2931 2.1178 0.6652 0.5892 1.3963 0.8380 0.6741 1.2817 1.4185 3.2691 1.6788 2.2833 3.0377 2.6364 1.0205 1.5972 1.4397 1.7200 0.8756 1.4316 2.5789 2.1882 1.0753 2.2752 1.3485 1.3798 0.9789 0.5647 1.0072 1.9738 0.9231 0.7110 1.5484 2.1409 1.0900 1.0791 0.7726 0.7285 0.6824 0.7043 0.5295 2.3974 0.5946 1.3429 0.4079 0.9065 0.8976 1.0595 0.9598 1.0376 0.3273 0.6911 0.7368 1.0378 0.7760 0.3756 1.2611 0.6211 1.2754 0.3746 0.9194 0.5978 0.4787 0.6159 1.5965 1.0989 0.8565 1.9911 1.3562 1.2083 1.7457 0.5430 1.9466 0.8249 1.2229 1.1263 0.3645 0.7151 0.9746 1.1191 1.2511 1.5382 3.6091 3.4176 1.4732 0.8891 1.0123 0.8401 0.4646 0.9236 0.8541 0.4549 0.3277 1.0108 1.3572 0.5168 0.5971 0.3851 1.5781 0.3418 0.7362 1.8747 0.0237 0.5553
Bis(2-Ethylhexyl) Phthalate 0.1952 1.2316 0.0730 1.8414 0.5398 0.7522 0.1150 0.6194 0.2336 1.1703 0.3380 0.7244 0.3702 0.4926 1.5837 0.6734 0.6983 0.7129 0.4400 0.7022 0.4943 0.4552 0.5610 0.5485 1.2374 1.2953 0.2113 0.3586 1.1283 0.4626 0.6069 2.6957 0.0912 1.5016 3.7131 3.5092 0.4263 1.2401 0.2576 1.0401 7.1071 12.5085 1.1143 0.5947 0.7643 2.1146 0.3349 2.4842 1.4081 1.2322 0.6201 1.2938 0.0969 1.1080 2.1109 4.2126 1.7234 2.9930 0.9672 1.6382 0.4126 3.0924 0.2450 1.2644 0.7543 2.6985 0.8713 1.3366 0.6108 1.3907 0.2410 0.7920 1.2849 0.3925 0.4642 1.7969 0.9772 1.0252 0.6225 0.4824 0.9739 0.6080 0.1824 2.1018 2.0290 2.6934 0.3871 0.2940 0.1892 0.1743 0.5680 2.6212 0.1918 1.0800 0.6044 1.1607 1.3590 2.5064 0.2426 0.6519 0.4394 0.3632 0.4117 0.1946 0.9224 0.6830 0.5343 1.6236 1.3086 0.4145 1.1047 1.0846 0.4501 0.5961 0.2508 2.9287 0.2902 1.5800 0.1829 0.0919 0.5761 0.5753 0.2286 0.8814 2.9806 0.2206 0.2265 0.5358 0.1809 0.5367 0.6763 0.1990 0.6281 1.4564 0.3395 0.6561 0.5594 0.3945 1.2889 0.3009 0.6975 1.8194 0.5449 1.9785 0.8123 0.1925 0.7851 0.9865
Bohemamine F 3.6202 1.6900 1.0702 0.2112 0.6274 2.5634 0.3549 0.8120 0.3252 0.2452 1.1750 0.0070 0.0399 1.5752 1.1484 0.4518 0.4404 0.2607 0.9652 0.9062 0.9154 1.3557 6.0648 1.7915 1.2585 0.1997 0.1700 0.2438 0.1479 1.1767 1.2798 0.1203 0.3136 2.5956 0.3630 0.2439 0.9522 2.2474 1.1024 1.0334 0.6597 0.8971 1.0185 2.7736 1.5106 2.0860 0.4128 1.7460 0.4515 0.5026 0.6622 2.2126 1.6212 2.5190 0.4829 0.8003 0.8103 0.1499 0.6028 0.1417 0.5022 0.9434 0.0364 0.0078 0.0876 0.4058 0.1030 3.4865 0.0454 0.4434 0.1673 0.4183 0.2342 0.1682 0.9691 1.1479 0.1555 0.2509 0.3063 2.7659 0.3415 0.1177 0.2001 0.0143 0.2934 0.4160 0.7072 0.8454 1.7511 0.2559 0.4314 0.3021 0.7252 1.2532 4.2282 5.2707 0.2770 0.5524 0.2559 1.2140 0.4094 0.7286 0.7130 0.4979 3.2051 1.8457 3.0781 0.2422 0.2524 4.7869 0.7293 0.4077 0.6921 0.2361 1.4498 1.2222 1.0090 1.3327 0.1673 0.3549 0.4142 0.0828 7.3473 2.3527 0.0629 0.7970 0.6727 2.5940 0.1637 5.1436 0.2896 1.4048 0.2250 1.6335 0.5339 0.5946 0.3705 2.0749 0.6741 0.6197 1.4556 2.7860 0.2768 1.4340 5.3228 4.9178 0.5404 0.6753
Brasilamide I 0.6643 0.7692 0.3182 0.5451 0.4048 6.2696 0.3683 0.7766 0.3686 0.2975 3.7287 0.1141 0.0997 0.3041 0.1285 0.4363 0.4021 0.3815 0.5333 0.4413 0.3607 0.5399 3.0737 0.3150 0.5191 0.4067 2.0698 0.2357 2.0560 1.5693 0.6000 2.2915 0.6221 0.6322 2.3944 0.1199 1.4067 0.3781 1.3718 1.4523 2.1637 5.3745 1.7598 0.6809 1.0645 0.3992 0.4186 0.6314 0.8047 2.7967 0.8118 1.7158 0.3085 0.7524 1.1440 6.4120 0.5751 0.6676 0.1685 0.5231 0.5762 0.8144 0.9048 0.7732 0.5380 0.4332 0.5797 0.4680 0.5576 0.2493 1.0487 0.7945 1.2541 0.2868 1.1268 1.9405 1.1676 0.2855 0.5786 0.9695 0.3622 0.5747 0.5163 0.8631 0.8838 0.4400 1.7791 1.5826 1.3367 0.8173 0.6696 0.6062 1.3196 0.6524 0.5898 0.3937 0.2209 0.5828 0.1268 0.5101 0.7673 1.1954 0.6195 0.7468 0.5359 0.9778 3.7341 2.0898 0.3800 1.0391 0.8956 0.4316 1.0390 1.0580 0.4086 1.1023 0.4951 4.1059 0.5487 0.6265 2.4572 5.1254 4.0531 0.6959 2.8079 1.0581 0.1334 0.1108 0.1088 0.5808 0.2481 4.0402 0.3164 0.5666 0.8022 3.1484 0.5686 0.4263 1.5733 0.6385 2.5418 1.0145 0.7518 3.0392 0.8128 1.1608 0.6214 0.9332
Brevioxime 0.1815 0.1319 0.6408 0.2802 0.0946 0.2697 0.3907 0.1919 2.0966 4.2207 0.2153 0.7544 0.1869 0.2472 0.1405 0.8478 0.1133 0.9833 0.1187 0.3511 2.2513 4.9864 0.4551 0.2594 0.2107 0.0890 2.2160 3.8023 1.4941 1.8099 0.8393 0.0915 3.9109 0.3365 2.3507 2.4352 2.8032 1.1606 0.2936 0.2810 0.2386 0.7797 0.8076 0.6846 0.2519 0.1556 1.7531 1.6873 0.9713 0.3154 0.2531 0.1480 0.6016 0.8818 0.2704 0.2945 1.8299 0.6838 0.2591 0.3222 2.4875 2.7852 0.0954 0.1798 0.1184 0.0982 2.3206 1.1676 1.0041 1.7452 0.1655 0.0909 0.2898 0.1711 0.2600 0.1262 0.6664 1.0306 1.5806 0.2556 0.5196 0.1335 1.2947 0.1176 1.3081 0.1468 2.5178 2.2009 0.4314 0.4291 0.3429 0.0895 3.1192 0.8041 0.8505 1.1117 1.8149 0.1538 0.5007 1.5227 1.4603 0.9229 1.1049 0.3584 0.2663 1.3087 1.2701 2.7616 1.4248 0.4021 0.1957 0.6386 0.1077 0.2152 1.4764 0.4649 3.4895 4.5225 0.3168 1.7326 0.4483 0.2378 1.7303 4.7797 0.1290 0.6295 0.3895 0.2926 0.6812 1.1032 0.1482 0.2609 0.6529 1.7736 0.6786 0.6900 0.4044 1.5422 0.2552 1.9255 0.2726 3.0859 2.8805 0.1231 0.2245 0.4247 1.5241 0.5582
Bufexamac 0.5818 0.1228 0.0612 0.6219 0.3347 0.0978 0.6589 2.6028 0.0606 0.0828 8.8588 0.6291 2.3862 0.4107 0.4963 15.2913 0.0905 0.2569 0.1324 0.5342 0.7407 0.1071 0.4017 1.5668 0.0758 0.0815 0.4263 0.1033 0.3940 0.3636 0.1121 5.0083 0.5860 0.4748 0.0977 0.0820 0.0969 0.0852 0.6520 0.0932 0.1867 12.5194 1.6280 1.5275 0.1144 0.0881 0.1014 0.0726 0.1083 0.4706 0.4135 0.0988 2.3339 3.5555 1.5379 0.2180 0.1003 0.0734 0.1436 0.0914 0.5452 4.5222 0.0804 0.3638 0.0899 0.3877 1.5556 4.9045 0.0949 0.6876 0.0962 0.0899 0.0907 0.6849 0.1011 0.0800 0.4156 0.1620 0.3209 0.0916 0.1092 0.0960 0.1067 0.1110 0.1043 0.2391 0.0967 1.1492 1.2652 0.1114 0.1158 0.0892 0.2808 0.0933 0.3092 1.0478 0.0896 0.0904 0.1030 0.1206 0.4473 0.1017 3.8443 0.0723 0.7025 0.0799 2.7578 0.0969 0.2847 0.0789 0.4945 0.0972 0.0853 4.0360 0.9094 4.5622 0.0970 0.0934 1.1339 1.1782 0.1833 1.2263 2.8655 1.4149 0.1045 0.0627 1.4379 2.8703 0.4731 0.1021 0.0846 2.1787 0.1047 0.0965 0.5751 0.1162 0.6727 4.0721 0.1022 1.3223 0.1046 0.9422 0.5491 0.8598 0.0972 0.0894 1.8969 0.6932
Butyryl-L-carnitine 1.0326 0.8911 0.5937 0.5513 0.6923 1.2562 0.9055 0.8639 0.4554 0.3341 1.5649 0.4875 0.9033 1.8087 1.7613 0.9142 0.4998 0.9067 0.7145 0.3413 0.2829 1.0106 1.1061 0.4306 0.7562 0.5088 1.2511 1.0522 1.2401 2.2207 1.4932 1.2182 0.7657 0.8910 1.9748 0.3207 1.4337 0.8854 1.1498 1.3312 2.4530 4.1173 0.9241 0.8557 1.0769 0.7252 0.6462 0.4311 0.6122 0.3412 1.0182 1.4122 0.5790 0.6573 1.9808 1.6924 0.8165 0.9792 1.0171 0.8000 0.6476 0.4990 0.6149 0.6376 0.5202 0.4703 0.6915 0.6699 1.2384 0.6769 0.6130 0.6949 1.5800 0.7711 1.0192 1.0990 0.7979 0.5171 0.4063 0.6844 1.2406 1.9280 0.6490 0.9063 0.6217 0.6232 0.6973 1.1233 0.6948 0.8718 0.8615 1.4083 0.7253 0.6364 0.6357 0.5276 0.6593 0.8743 0.7741 0.7917 0.8218 1.5311 1.5946 1.2283 0.9836 2.7280 2.0275 0.8713 0.9030 1.3026 0.7269 0.6234 0.5856 0.8372 1.3245 0.7424 1.2421 0.7727 1.3358 0.8557 1.8679 1.6486 5.2596 0.7916 1.4395 1.1865 1.3189 0.4522 0.5850 1.8995 1.2752 0.8607 0.5582 1.2105 1.2732 3.0140 1.2481 0.7993 0.7979 0.8414 1.2135 1.0763 0.6035 2.3262 1.8908 1.1601 0.9920 1.2339
Caffeine 2.0814 0.0202 0.5411 0.2656 1.4537 0.0647 1.0871 0.1910 0.0469 0.0434 0.1938 1.0299 0.0642 0.0039 0.5753 0.1999 0.0072 0.4504 0.0219 0.6159 0.2773 0.0446 0.0280 0.0012 0.0467 0.2725 1.3041 0.1563 0.3132 0.1717 3.4338 0.9272 0.0167 4.1220 1.0689 0.2040 0.1565 0.0404 2.8864 1.4135 1.3830 4.0967 0.6588 0.5095 0.2951 0.2546 3.5676 3.0887 0.4987 0.0654 0.3258 0.1695 0.3259 0.0800 0.0077 0.1260 0.2237 0.2544 0.7513 0.6019 1.8296 4.0412 0.2818 0.0048 0.0136 0.1241 0.0513 1.4818 0.0450 0.0906 1.4073 0.7648 0.0038 0.0109 0.0767 0.2905 3.9850 1.8637 1.0550 1.8196 0.5302 0.1959 1.2537 0.0017 0.4681 0.0876 0.0172 0.6774 1.2173 0.8893 0.3471 0.0294 0.1213 0.1015 2.2751 0.3853 2.8078 0.1818 2.9483 0.7107 0.5004 12.3966 0.0208 0.4893 1.1096 0.4881 2.7559 0.1215 0.1280 0.1531 6.5320 0.0033 0.0192 0.0314 1.0001 3.8865 2.1100 0.0017 0.2490 0.5827 5.0785 0.3004 1.0943 1.1732 0.0034 0.0633 0.0014 0.1397 0.0070 1.1399 0.1315 1.1548 0.0133 4.6488 0.0046 0.9136 0.8159 0.0032 3.1888 2.2933 0.0180 1.9898 0.6658 0.0965 0.0111 0.3638 1.8939 1.2972
Capryloylglycine 0.5678 0.9773 1.5657 1.6782 0.5521 0.2529 0.6489 0.7946 1.6879 1.0425 0.9680 0.9058 1.2121 1.0243 0.1979 1.5653 0.9924 0.2483 0.9506 0.3219 0.4656 1.3015 1.2952 0.9376 1.1090 1.0667 1.2897 1.9796 1.8396 1.6303 1.6507 1.2437 1.2407 1.1442 0.8141 0.2459 1.1323 1.2440 0.9744 1.4518 2.1306 3.0625 1.2781 0.8646 0.6295 0.4982 1.4134 1.3517 1.1788 0.6451 1.3523 1.5204 0.7451 0.9130 1.5693 1.5458 0.9952 1.1512 1.0455 0.5163 1.0583 0.0951 0.8051 1.1100 0.4522 0.8254 0.9727 1.2099 3.5171 2.5287 0.6952 0.9759 1.9006 0.9098 0.2088 1.5701 1.2003 1.4066 1.0880 0.9378 1.0073 1.1508 0.6047 0.6138 1.0099 0.5186 2.0290 1.0633 1.0298 1.0452 0.1913 0.8382 0.9384 0.4216 0.9659 0.9926 1.1984 1.3252 1.4861 1.0459 1.2870 1.2889 1.2708 0.9881 0.4276 1.5486 1.6065 0.3984 1.3339 0.5929 1.2518 1.1494 0.4063 1.2995 0.3382 0.2152 1.0664 1.3198 0.3921 1.3119 1.2584 0.5525 0.3245 0.7309 2.0122 1.5650 0.1511 0.2815 1.2152 1.2436 0.7308 1.3359 0.6283 0.1533 2.9763 1.0595 1.7358 1.0881 1.5188 0.6816 0.2437 0.6703 0.2505 0.9187 0.1905 0.4321 0.9099 1.7079
Caryophyllose 0.1484 0.0251 3.0031 4.1960 1.2828 0.9528 1.2030 0.9514 0.9342 0.9074 0.9203 1.1489 1.3565 1.0415 2.0446 1.5129 1.1163 1.9222 1.4691 0.9306 0.9985 0.8316 0.9645 1.0499 1.0650 1.2114 0.9308 2.0391 1.3681 1.8837 1.5997 0.8904 1.6635 1.6127 4.1410 1.0426 1.0463 1.3428 1.7060 1.1369 0.1579 1.4802 2.3328 1.9464 1.1822 1.3500 1.2384 1.0144 1.1378 0.8768 0.9742 0.0306 1.4893 1.1939 2.1015 2.5694 1.7151 1.7865 0.4083 1.4559 1.8392 1.6462 1.4994 1.2749 1.4866 1.5883 1.0702 0.0280 1.0778 0.7784 2.1778 1.5455 1.0962 1.4082 1.2032 0.9124 1.3525 1.6147 1.9862 0.9500 0.8663 0.9113 0.8645 0.1399 0.8864 0.0287 1.2970 1.1880 0.7680 1.2447 1.3720 0.7352 1.7653 1.4037 1.2142 2.3890 1.8061 0.9221 1.2016 1.2890 1.7822 2.0526 2.2000 0.9450 1.1043 1.0726 1.3705 0.5000 1.4998 1.1645 1.0013 1.3947 0.7502 0.9760 1.5782 2.9539 2.3703 0.9785 1.2121 1.2002 1.8703 2.5356 1.9028 1.2958 1.6049 0.0330 0.0215 0.0237 0.1714 0.0325 0.0247 0.0265 0.0269 0.0329 3.2620 0.0298 0.0313 0.0741 0.0587 0.0308 0.0271 0.0307 0.2218 0.0906 0.0277 0.0284 0.1503 0.1585
Cellocidin 1.1237 0.8719 1.0051 0.5612 0.7796 0.9835 0.9960 0.6596 0.9062 0.9181 0.9911 0.7897 0.9785 1.0376 0.8108 0.5544 0.6271 0.7752 0.6203 0.8357 0.6753 1.0117 0.6809 0.9301 0.8608 1.0874 1.1372 0.9840 0.7088 1.0112 0.8994 0.5903 0.9555 0.6999 0.9922 0.7473 1.3942 0.8459 0.6799 0.5937 0.8038 0.5451 1.0622 0.8041 1.1121 0.6050 0.8433 0.9603 1.3849 0.7209 0.7845 1.0917 0.9887 0.8618 1.5776 1.4499 0.7304 0.5063 1.3094 1.0279 1.1181 0.8123 1.2837 0.6817 0.8658 0.9605 1.2976 0.7314 1.0112 1.4732 1.1285 0.6658 0.8648 0.6697 0.8261 0.6637 0.9319 0.5212 0.8410 0.8380 1.1100 3.7708 1.6115 1.8390 1.0688 0.7880 1.3886 1.3493 0.9969 0.8633 1.0897 0.9029 1.6349 1.2599 1.1559 1.2744 0.8252 0.7667 1.5834 1.3283 1.1486 1.7089 1.2240 1.0484 1.2264 0.9117 1.0980 1.8218 0.9632 0.9793 0.9379 0.8767 0.6736 0.7113 1.3145 1.7904 0.8924 2.2971 1.1454 0.6122 0.8365 2.0783 1.5728 0.9908 0.8483 1.8229 1.1955 1.1810 1.0511 1.2325 1.6885 0.7880 1.2315 1.3848 1.1291 1.1795 1.5905 2.4384 0.8906 1.2655 1.1442 0.9309 0.7448 3.5785 1.8403 1.0708 0.8436 0.8340
Cer(t18:1(6OH)/25:0(2OH)) 1.0456 1.3441 1.4889 3.4423 2.7732 0.7179 0.9211 0.5504 1.1827 0.7972 2.5513 2.6134 1.3151 1.4980 0.2952 1.3186 1.3079 1.4207 1.5633 0.6975 1.5367 1.6376 1.1801 1.5168 0.9548 1.7164 1.4938 1.7510 2.7379 2.0447 1.8398 1.1358 2.1069 1.2636 2.8033 3.4060 1.7935 2.5739 1.4540 2.2171 1.8602 2.3123 2.3384 2.0748 1.3947 1.5012 1.4908 1.0746 1.2026 0.7451 2.2141 1.3200 1.2049 1.4989 1.6251 1.2890 1.1802 1.6531 1.4728 1.6953 1.6124 1.1014 2.8057 3.5481 1.7177 0.6864 1.6952 1.4617 2.4142 1.2130 2.8774 1.6059 1.6287 2.6140 2.9070 0.7877 2.2558 2.3010 2.3097 0.8721 0.1161 0.1389 0.1460 0.1329 0.1184 0.8322 0.1005 0.7836 0.5577 0.1639 0.6885 0.4629 0.1525 0.1583 0.0977 0.4527 0.6059 0.7140 0.1880 0.1233 0.1504 0.1169 0.3424 0.1002 1.0230 0.3755 0.3908 0.1489 0.4732 0.6006 0.1665 0.2727 2.4930 1.2294 0.2966 0.1058 0.5606 0.1233 0.5513 0.9147 0.9378 0.1247 0.1921 0.3127 1.8654 0.1907 0.8394 0.7209 0.4347 0.1117 0.1282 0.4801 0.4241 0.1455 0.3287 0.2956 0.0920 0.3982 0.1924 0.1046 0.3502 0.1010 0.1873 0.0888 0.1062 0.1557 0.4928 1.2713
Chenodeoxyglycocholate 1.2322 1.1234 0.1292 0.5164 0.3205 0.5328 0.2592 0.6342 0.2212 0.1814 0.3543 0.2882 0.5365 0.2881 1.8379 0.3405 0.6715 1.6459 0.1571 0.7525 0.3993 0.6404 1.8542 0.4326 1.0807 0.4113 0.5792 0.7068 0.3287 0.4696 0.7439 0.6777 0.1898 1.7306 0.3269 0.3480 0.1171 0.2307 0.8409 0.6750 0.6481 3.3630 1.4303 0.5712 2.3396 2.1923 0.8242 4.1854 0.7964 0.8450 1.1575 1.1992 0.2707 0.2055 0.6090 0.6372 0.1061 0.3561 0.6288 4.6558 0.5446 1.5399 0.1301 0.6009 0.2058 5.6750 3.2372 2.4001 0.6085 0.5795 0.3704 0.5339 0.5375 0.1355 0.3043 2.1394 0.3451 0.3814 1.1795 0.8621 0.3162 0.1506 0.1798 1.5023 0.7293 1.2228 2.7900 0.6360 0.3318 0.2049 0.4616 2.2451 0.0304 0.6754 0.7534 0.3241 1.0845 5.5560 0.1402 0.4535 0.7282 0.3461 0.0902 0.2087 0.0650 1.3407 1.8168 1.8970 4.7540 0.1953 2.6630 1.9960 0.5928 0.5415 0.3732 0.9019 0.7090 0.6871 0.4277 0.0446 1.2815 1.4397 0.2201 0.1984 0.6832 0.1210 0.1275 0.2164 0.1323 0.4298 1.0076 0.1419 0.6846 0.5703 0.4179 0.2793 0.1807 0.1685 0.6336 0.8826 0.2526 1.6570 0.7485 1.9780 0.1173 0.2536 2.2197 1.2074
Cholacalcioic acid 0.1541 0.1672 0.5618 0.0406 0.0490 1.1826 0.7631 0.0603 0.0427 0.5596 0.3261 0.2309 2.4509 0.1687 5.8078 0.3225 0.0518 1.0751 0.5605 1.0631 1.3261 5.1126 2.9060 0.2790 0.3448 0.2570 1.2867 0.1419 0.2233 1.3123 1.4736 0.2491 0.8584 2.0551 0.1208 0.0299 0.0982 0.0434 0.4964 1.6176 1.9145 16.2990 0.1012 0.1406 1.4108 1.5354 0.0622 0.0532 0.2526 2.5624 2.2162 1.9156 0.1859 1.7393 0.1074 0.1414 0.0297 0.9843 0.0484 0.3778 4.0699 1.4663 0.0354 0.0988 0.1946 0.3784 0.2915 0.3085 3.5158 0.4922 0.5249 0.7019 0.4282 0.8685 0.1693 1.0452 0.3544 0.2310 0.2543 26.8800 0.2441 2.3949 0.0575 0.5502 0.2262 0.1459 0.4036 3.0808 8.9453 0.0863 0.3120 0.2381 0.0724 0.1066 0.6897 1.4713 0.2082 0.4816 0.9546 0.2776 0.1254 0.1057 0.1034 0.0511 0.0703 3.3199 0.5010 0.0483 1.2626 0.0796 5.0778 2.8094 0.0572 1.6176 0.0335 0.3633 0.7513 0.1579 0.8479 0.0342 5.7048 0.4336 0.0361 0.0600 0.1394 0.0573 0.1017 0.0362 0.0382 0.0853 0.5989 0.0322 0.0349 3.6004 1.6347 0.0357 2.6000 0.0323 0.2895 0.2252 0.4227 0.2029 0.1678 1.1227 0.0743 0.0434 0.4096 0.5121
Cholinephosphate 0.9832 0.6152 1.1573 1.3487 0.6081 1.1028 1.1210 1.1192 1.0117 0.9114 0.7076 0.6336 1.3496 0.7538 0.8289 1.3594 1.1072 1.3502 1.0558 1.0547 1.5245 1.1042 1.5286 1.0781 0.7803 0.7655 0.6145 0.4089 0.5538 1.5061 1.3515 0.9270 1.1648 1.0222 1.4267 0.7833 1.4139 1.0220 0.9016 0.8972 1.1417 0.4300 0.3776 1.2979 0.6779 0.7442 1.1345 0.8796 0.9563 0.7748 1.0080 1.1631 1.1292 0.9947 1.1788 1.3232 0.6929 0.8448 1.0914 0.6273 1.1247 1.3565 0.7887 0.7643 1.0943 1.2695 0.6946 0.8481 1.4267 1.0857 0.7134 0.8448 1.3697 0.8007 1.2606 1.4017 0.4180 1.3627 1.1013 0.7019 1.0498 0.9021 0.9102 1.6871 0.7083 0.5787 0.9372 0.3256 1.3220 0.9578 0.7996 1.1545 0.8160 0.8019 0.6825 0.9321 1.4131 1.1569 0.4842 0.6303 0.9803 0.4609 1.0895 0.7072 1.2863 0.8498 0.7780 0.7619 0.7804 1.1193 0.9864 0.9719 0.5051 1.1196 1.2271 0.7038 1.0608 1.0014 1.4815 0.7104 1.2581 1.0591 1.0257 0.7729 0.8018 1.1055 1.2975 0.4451 1.3026 0.5260 0.7437 1.7018 0.8671 0.9574 1.0218 1.2278 0.9678 0.9566 0.6571 0.6940 0.6740 0.8651 0.9480 0.9178 1.0849 0.6744 1.6625 0.7303
Cladosin L 1.7158 2.3697 1.6498 1.6225 1.6445 1.3879 0.4145 0.7719 1.3908 1.0931 1.1386 1.2910 1.0655 0.9632 1.9874 1.1866 1.1925 2.8532 1.7084 0.9373 0.6052 0.3626 0.3649 1.6075 1.5148 0.7905 1.6964 2.1906 1.5513 0.9911 1.6774 0.9943 3.1483 0.7952 3.4135 1.2536 1.0625 1.5436 2.3286 0.5661 1.2091 2.1866 0.7019 0.6870 2.0437 1.4754 1.2113 0.7522 1.5061 0.7576 1.3137 0.6381 0.9039 0.9064 2.5771 3.2854 1.3345 0.9440 0.5430 0.9134 1.6777 1.8601 0.5573 1.1248 0.3696 0.4492 1.0600 1.0793 1.1988 0.9355 1.3251 0.9086 0.5891 0.3869 0.8363 0.5395 1.2600 1.6735 0.7517 1.1534 0.7283 1.0704 1.1628 0.6338 0.5923 1.0676 0.4501 0.6257 0.5746 0.7984 0.5373 0.4208 1.5952 1.0133 1.1976 0.0331 2.2372 0.9165 0.5615 0.4979 0.6227 1.0223 0.2787 0.9905 0.6866 0.6546 1.0959 0.7376 0.9373 0.6509 0.8381 0.8883 0.9623 0.7424 0.6245 2.1491 1.5539 0.7262 1.3110 1.1341 1.0242 0.7104 0.2298 0.5255 0.9103 0.5262 2.2435 0.7844 0.2673 1.1966 0.5839 1.8114 1.2333 0.8118 0.3020 1.4370 0.5701 0.9467 1.5632 1.0874 1.1583 0.6293 0.5013 0.5308 0.2893 1.1691 0.6364 0.4418
Commendamide 0.9017 0.7893 0.6859 0.1911 0.5119 0.7144 1.3253 0.8830 0.4464 0.7183 0.5038 0.4175 1.0061 0.9195 1.1736 0.7213 0.6526 0.2794 0.5858 0.7472 0.4879 0.9848 0.6472 0.5855 0.7703 0.2786 0.6354 0.7891 0.7099 0.5989 0.6298 1.5144 0.6797 0.4574 0.4662 0.3753 1.2237 1.4212 0.4687 0.2450 0.9926 1.1017 0.9673 1.4709 0.7049 0.6862 0.8283 1.0591 1.4425 0.7955 1.0129 1.0985 0.4491 0.8597 1.2458 1.6042 0.5632 0.8642 0.1878 0.6433 0.4142 0.4666 0.6023 1.3172 0.5681 1.0811 0.4480 0.4446 0.9034 2.9868 0.9354 0.9667 0.6484 0.2375 0.6691 0.9819 0.3953 0.6461 1.0673 1.5045 1.6047 2.0794 0.7328 1.5862 0.8612 0.9488 1.8326 0.8892 0.7340 1.1049 1.3643 1.1345 0.7971 1.2808 0.6195 0.7298 1.7597 1.8601 1.4548 3.3730 4.5067 0.9574 1.7978 1.2301 0.8231 0.9120 1.1396 1.3363 0.9955 0.8445 1.9616 1.1723 0.3282 0.2999 1.2448 2.4537 1.6496 0.7836 1.1107 1.1683 1.9885 1.9418 2.1227 1.1706 0.6040 0.4404 1.2630 1.3054 0.8321 0.9536 1.8986 0.9542 3.1798 1.8050 2.2730 3.6260 1.8440 0.9718 1.0204 1.3146 1.6157 1.9593 1.1664 1.7007 2.5541 1.3119 0.7585 0.6746
Coniferonic acid 0.3456 0.1109 0.6983 0.3752 0.3587 0.2490 0.2964 0.4527 0.4090 0.2480 0.4650 0.5183 0.0830 0.7378 0.4147 0.4339 0.2490 0.7583 0.2263 0.6395 0.1271 0.3170 0.4104 0.8106 0.3618 0.9623 0.6311 0.5608 0.3545 0.5599 0.4787 0.2181 0.6967 0.9175 0.5667 0.2770 0.7740 0.2778 0.4342 0.3573 0.2409 0.6546 0.2497 0.2858 0.4608 0.3798 0.7175 0.1708 0.2093 0.2264 0.4074 0.3384 0.7759 0.5138 0.4664 0.5091 0.6927 0.1871 0.3807 0.3067 0.7247 0.2940 0.3320 0.2945 0.2041 0.4192 0.6009 0.8416 0.5418 0.4599 0.5179 0.2992 0.3249 0.2895 0.5886 0.3198 0.5917 0.3945 0.3076 0.8737 0.2906 0.3187 0.7156 1.4521 0.4415 0.3946 0.2510 0.2091 0.1619 0.5331 0.5620 0.3954 0.1679 0.6579 0.4842 0.1120 0.0963 0.1514 0.6768 0.6880 0.7118 0.3215 0.4067 0.5055 0.2387 0.1371 0.1375 0.6484 0.8581 0.1485 0.3576 0.4041 0.0599 0.4352 0.2899 0.4416 0.6842 0.5558 0.7485 0.1745 0.2545 0.6611 0.3447 0.4087 0.1441 1.2596 0.6592 0.8646 0.5325 0.3700 0.6195 0.1396 0.2244 0.7423 0.0551 0.4085 0.2653 0.2869 1.9584 0.6978 0.3089 0.9203 0.9622 0.4089 0.2359 0.8634 5.3565 0.5926
Coniferylalcohol 0.4652 0.5224 1.7908 1.1736 0.0730 0.1515 0.9879 1.3077 0.2113 0.3440 1.0023 0.2276 0.3981 0.1526 0.5203 2.5068 0.0383 0.6346 0.4451 0.5598 0.5052 1.5837 1.6043 0.7729 0.4135 0.0481 1.0025 0.2157 0.7373 0.1873 0.1396 1.0959 1.0783 0.7401 0.2556 0.7759 0.5508 1.2438 2.5285 1.5942 2.0533 1.4855 1.0985 1.4933 0.0364 0.2449 0.4817 0.5678 0.1582 0.1244 5.0296 1.9116 0.9560 0.6130 1.9128 1.6963 0.1439 0.0702 2.0622 0.8940 0.3337 0.2505 0.0414 0.0779 0.3391 0.1370 0.0965 0.3673 4.0167 3.7019 0.1337 0.4863 3.6709 0.5676 0.8057 0.5692 0.4080 0.7932 0.1964 0.7082 0.4255 0.7681 0.0676 0.7180 0.1962 0.1399 4.1909 1.0331 0.4047 0.1967 0.1132 0.0671 0.6279 0.4009 0.1847 0.3070 1.5163 0.7789 2.0487 0.7881 0.6161 0.5657 0.2964 0.3710 2.3789 0.2893 0.4939 0.4305 0.8243 0.4059 0.2677 1.2380 0.2787 1.1000 0.1251 1.0610 0.3802 0.1803 1.2290 2.6444 0.0458 2.4820 0.6445 0.2239 1.2656 0.8278 0.3454 0.3948 0.1675 24.4433 0.5746 1.8304 0.0434 0.2092 2.3698 1.2908 0.4962 13.3988 3.0168 2.0041 0.1042 2.1423 0.3622 1.0368 0.3237 0.8828 0.5940 0.7293
Creatine1 1.1511 0.6839 1.4501 0.4335 0.6571 1.8863 1.5737 0.5730 1.6045 0.5502 1.5057 1.0108 0.4126 1.8043 0.6699 1.0861 0.5789 2.1377 1.9214 1.0983 0.5184 1.7357 1.5362 1.2107 0.6505 1.5246 1.8106 1.6540 0.4439 1.3470 0.7870 0.4008 1.0309 1.5317 0.6185 0.4454 1.7781 0.5426 1.7195 1.8719 0.6893 0.6164 1.2841 0.4162 1.5293 0.3034 1.4915 1.4649 1.0363 0.3680 2.1166 2.1463 0.8606 0.6449 2.8581 2.4071 0.9462 0.8092 0.8974 0.5797 1.7041 0.8245 0.8258 0.4533 0.7436 0.5232 1.2508 1.2888 1.8261 1.4101 1.4514 1.7013 0.6625 0.7763 2.0583 1.1622 1.3110 0.5385 0.5745 0.4361 1.2738 1.1816 0.8536 1.2606 1.2222 0.6821 1.2263 1.2172 0.8752 1.5124 0.8647 1.2011 1.6725 0.7857 1.7965 0.6503 0.5491 0.4025 0.0030 0.5799 0.4504 1.1593 0.5060 1.5232 0.5552 1.3430 1.4880 1.0017 0.5302 1.2930 0.5828 1.0072 0.5239 1.1366 1.3333 0.3556 0.8466 0.3756 0.8565 0.6678 1.4280 0.8335 1.3272 0.9780 0.3819 1.2308 0.6378 1.7964 1.3875 0.9974 2.1011 0.7497 0.5273 0.2731 0.5101 0.7309 0.4577 0.7405 1.7218 0.3152 1.7169 0.7017 1.5711 0.8711 0.2113 0.6529 1.1017 0.4157
Creatine2 0.8960 0.4873 1.2075 0.4826 0.9646 1.5012 1.4048 0.4172 1.3573 0.3378 1.9147 1.4058 0.4134 1.6033 0.4108 1.2756 0.6412 3.4157 2.6618 0.9070 0.7041 1.1517 1.4021 1.2237 0.4584 1.5604 1.1164 1.9678 0.4841 1.8056 0.9085 0.3875 0.8413 0.9214 0.9072 0.4956 1.7767 0.6817 1.8915 2.6506 0.9448 0.8417 1.4076 0.4899 1.6652 0.2893 1.4092 1.2542 0.9702 0.2871 1.8783 1.9944 1.0532 0.7553 2.7443 2.5041 1.0038 0.8614 0.9097 0.5801 1.8260 0.8805 0.9121 0.4027 0.8180 0.3732 1.1721 1.6981 2.1712 1.0034 1.5391 1.8817 0.8172 0.8783 2.1100 1.0205 1.6349 0.6780 0.5346 0.2966 1.0805 1.2580 0.7134 1.5726 0.7704 0.4618 1.1643 0.9426 0.6542 1.1545 0.5963 1.0683 1.2986 0.4829 1.2783 0.9132 0.5286 0.2882 1.6838 0.6356 0.4629 1.0087 0.6023 1.5305 0.7987 1.5578 1.4955 0.7212 0.3883 1.0306 0.4740 0.7137 0.6789 1.0518 1.1147 0.3528 0.7780 0.3936 0.8816 0.4168 0.8893 1.2206 1.0790 0.7509 0.4524 1.4874 0.6263 1.0818 1.0272 1.0374 1.8910 0.6297 0.4351 0.2387 0.5027 0.6520 0.5985 0.6440 1.2572 0.2782 1.3029 0.8283 1.4288 0.7055 0.2323 0.4786 1.1901 0.9447
Creatinine 1.0319 1.0444 1.0396 0.8944 0.8134 0.9468 0.8500 0.8393 0.9129 1.0170 1.0741 0.8839 0.9811 1.0130 0.9308 1.0183 1.0646 1.1395 1.0946 1.1343 1.1664 0.9641 0.9579 0.9621 1.0017 0.8106 0.8869 1.0137 1.0161 1.0767 1.0903 1.1179 0.8961 0.8409 1.2462 0.9142 1.1176 1.1320 1.4195 1.3095 1.2067 1.0390 1.2311 1.1745 1.2386 1.0780 1.0099 0.9807 1.4341 1.2685 0.9933 0.9849 1.1525 1.1871 1.2555 1.2650 1.1425 1.0460 0.9605 1.3093 1.0424 0.9690 1.0946 1.2710 1.0112 1.0654 0.9237 0.9094 1.0445 1.1775 1.0945 1.1460 1.5417 0.9316 1.1264 1.0714 0.9280 1.0061 1.1126 1.0543 1.0143 0.8292 1.1039 1.0594 1.1869 1.1370 1.0202 1.1105 1.0781 1.0798 0.9349 1.0286 0.9566 0.9850 0.9745 0.9377 1.1336 1.0138 0.0053 0.8700 0.8174 1.0563 1.0101 1.0577 1.0937 1.0411 1.0983 1.0778 1.1022 0.8121 1.0833 0.7750 0.8465 0.9878 0.9540 0.7539 1.2972 1.5674 1.3743 1.2018 0.7987 1.2237 1.0216 1.3364 1.2658 1.0518 1.1787 1.1141 0.8473 1.0694 1.0355 1.0619 1.1556 1.1839 1.4954 1.4568 1.4786 1.4077 1.2216 1.0890 1.0671 1.0388 1.0481 0.9480 0.9789 1.0578 0.9933 0.4423
Curvularide B 1.1830 0.8512 0.7226 0.2537 0.7234 1.0454 1.0561 0.8172 0.6620 0.7534 0.7733 0.4318 0.7684 0.8334 0.4768 0.5517 0.6915 0.3703 0.9304 0.8085 0.6902 0.8959 0.6802 0.7889 0.7716 0.3762 0.6390 0.6462 0.4770 0.6629 0.8599 1.3099 0.6143 0.3884 0.3620 0.2137 1.4392 1.0064 1.2328 0.3859 1.8140 1.8503 1.3861 1.5678 0.7101 0.6474 0.4768 0.5722 1.3385 0.5957 1.1143 1.1444 0.4095 0.7332 1.5144 1.9372 0.5070 0.5304 0.5157 0.7416 0.4393 0.4653 0.7095 0.5221 0.8055 1.0891 0.6347 0.6797 0.7063 1.1441 0.8068 0.6633 0.9189 0.3201 0.7491 0.6277 0.5776 0.6034 0.8961 0.8190 1.3065 1.4015 1.1598 1.0841 1.2010 0.9145 2.2866 0.8597 0.9093 1.0327 1.5016 0.9802 1.5544 2.0123 1.1548 0.7786 1.2150 1.4723 1.3918 1.9905 2.4615 1.1486 1.2504 1.3636 0.9232 1.2319 1.2968 1.0672 0.7113 1.2725 1.7760 0.9688 0.3369 0.3814 1.1569 2.7190 1.1991 0.5246 1.2292 2.0559 2.2606 2.0691 2.2335 1.5838 0.9842 0.7357 1.7559 1.6478 0.6080 1.1966 1.2660 1.5844 2.0123 2.5519 1.8280 2.7488 1.5908 1.0292 1.4348 1.7705 2.7285 1.7204 2.3483 2.0014 3.0389 1.6958 0.6796 0.5868
Cyclo-(2-hydroxy-Pro-Gly) 1.2249 1.2723 1.1534 1.0123 0.7041 0.9848 1.1250 1.3065 1.0215 0.9695 1.0095 0.7771 1.2842 0.9695 1.3546 0.9798 1.3064 1.1663 1.1202 1.0776 1.2074 0.7675 0.9869 1.0961 0.9845 0.6962 0.8941 0.9768 0.9116 1.2100 1.1574 1.2667 0.9705 1.0575 0.7749 1.0233 0.9893 1.0368 1.2035 1.0234 0.9323 0.9248 1.0999 1.1614 0.9661 1.0880 1.2528 1.3542 1.2809 1.2851 1.0249 1.0147 0.9670 1.1530 1.1606 1.2708 1.1002 1.1620 1.2804 1.1164 0.9483 1.4489 1.0050 1.1337 0.8065 1.1290 1.1087 1.1269 1.1657 1.1744 1.1355 1.1340 0.8654 1.0943 1.0603 1.0867 1.1071 1.4683 1.1752 1.2438 1.1440 1.6429 1.0050 1.4695 0.9946 1.0156 1.4620 0.8465 1.1346 1.3432 1.0018 1.1383 1.1639 1.0207 1.2606 1.5582 1.3602 1.0331 1.3677 1.2583 1.3724 0.9620 1.1429 1.2685 1.1139 1.3285 1.3444 1.0505 1.0280 1.0826 1.4822 0.9760 0.9214 0.9710 1.3771 1.4267 1.2529 1.7046 1.5177 1.0733 1.0438 1.4089 1.1518 0.9712 0.9998 1.4942 1.2880 1.0572 1.1678 1.5436 1.5012 1.1237 1.1435 1.2814 1.4714 1.3000 1.4131 1.2580 1.0745 1.3572 1.2292 1.0516 1.2666 1.2392 1.4190 1.2878 0.2871 1.0091
Cyclo(D)-Pro-(D)-Leu 4.1590 0.4247 0.7787 0.1377 0.5497 0.4945 0.9919 1.0616 0.3484 0.2776 0.3718 0.8384 0.6292 0.2913 0.4078 0.3417 0.3100 0.8840 0.5379 1.1119 1.0131 0.4957 0.4082 0.2054 0.2096 0.2069 1.1271 1.9957 1.3481 1.1434 2.4541 1.3654 0.5606 1.5784 0.7942 0.6293 0.8498 0.2642 3.9982 0.5957 1.8865 2.5263 0.6169 0.7134 0.6381 0.2387 5.6234 3.9153 0.5818 1.0036 2.2062 1.3109 0.4185 0.5440 0.6468 0.8941 0.4280 0.1929 0.6232 0.4719 1.2772 1.2958 1.5171 0.5064 1.2461 1.9066 1.1143 2.2627 0.5012 0.4731 1.3818 0.4232 0.3384 0.2251 0.6531 0.9271 1.8737 1.4060 0.7183 1.1647 2.5296 0.3592 1.1242 1.1401 0.4286 0.1095 0.7916 1.1546 0.7340 1.2777 0.5061 0.1972 0.6457 0.6052 1.7602 0.9298 1.1846 0.6477 0.2878 1.0178 2.1912 0.2268 0.4381 0.4712 1.2014 0.6325 2.0413 0.8729 0.6778 2.0397 1.5811 0.3260 0.3032 0.5790 1.1507 1.1986 1.0043 2.8116 0.2955 1.3920 2.8679 0.7586 0.9625 0.7380 0.2532 1.6229 0.6549 1.6023 0.2531 1.6632 0.2666 0.5695 0.3833 1.6079 0.3449 2.2428 0.4575 0.4480 2.3514 0.5528 0.7085 1.1156 1.1750 0.3318 0.3149 1.4557 1.2338 1.1986
Cyclo-(N-MeVal-N-MeAla) 1.5349 0.8090 2.0712 1.4908 0.8470 4.5939 0.4902 0.9997 1.6013 1.3144 2.1265 0.9553 4.2266 1.2146 0.6854 1.0559 0.4110 0.5011 2.4832 2.8210 2.9020 1.6856 1.3995 1.1718 1.7472 1.0744 2.3532 1.0008 2.3272 1.0734 1.3899 2.0044 2.4043 1.7153 1.7738 1.1966 2.0820 1.0424 1.5394 0.4573 1.4501 1.0141 1.5694 1.1913 1.0646 1.6249 3.8078 1.8761 1.5113 1.3991 1.0798 0.8973 0.9607 1.2062 1.3838 1.6743 1.1676 0.2614 2.6453 1.1511 0.8223 1.4311 0.8950 0.9081 0.3822 1.7971 1.6776 1.1973 2.1131 2.3923 3.1016 4.3303 2.0537 0.5367 0.9713 1.1323 1.1852 0.9253 1.8436 3.5227 1.0640 0.2010 0.1976 0.1667 0.2131 0.1736 0.2343 0.2949 1.8068 0.1903 0.2115 0.2023 0.2166 0.2120 0.2373 1.4007 0.6311 1.0510 0.2931 0.2932 0.2216 0.2065 0.1968 0.2647 0.3806 0.2089 0.2118 0.6057 0.2126 1.0182 0.2486 0.2556 1.5048 1.9617 0.1872 0.2106 0.1986 0.2088 0.2299 0.2986 0.2837 0.2196 0.1994 0.1718 1.0797 0.2962 0.2660 0.2142 0.1784 0.1935 0.2166 0.8918 0.7510 0.2279 0.2718 0.2397 0.2010 0.1997 0.2267 0.2110 0.5128 0.1914 0.1889 0.2318 0.3066 0.1874 1.0359 0.2515
Cymoxanil 1.8820 0.2157 0.2553 0.2215 0.8847 0.2578 1.5812 0.4250 0.2490 0.2551 0.2436 0.2432 0.2590 0.2232 0.4857 0.2565 0.2492 0.8091 0.2437 0.2467 0.2623 0.2123 0.2283 0.2529 0.2159 0.2354 0.2398 1.7845 2.5054 0.7678 3.3780 0.8737 0.2444 0.7135 0.6538 0.2530 0.7031 0.2442 1.9063 1.9337 0.6470 1.8339 4.5399 1.4645 1.4244 1.1799 1.0786 1.6810 0.3533 0.2226 1.4341 2.5428 0.2236 0.2358 0.2566 0.8249 0.2479 0.2414 0.8945 2.6843 0.2803 0.2574 0.2627 0.2480 0.2278 0.2444 0.2480 1.2308 0.2645 0.2419 0.9239 0.3673 0.2851 0.2537 0.3325 0.2049 0.3453 1.3126 0.2412 0.7925 0.7287 0.1371 1.8245 0.2059 0.8538 0.6182 0.1567 0.6067 0.4134 4.4133 0.4656 0.2184 1.0871 1.0404 2.7654 0.3123 0.6777 0.2915 1.4091 1.8089 1.7611 15.9570 0.2233 0.8200 1.7962 0.8621 5.1131 0.1484 0.2220 0.2358 2.8306 0.1824 0.2708 0.2249 2.0378 3.7401 1.1356 0.1840 1.2070 0.6642 4.9652 0.2782 4.7052 0.4694 0.2517 0.8737 0.2225 0.2294 0.2134 3.0084 0.1561 0.3526 0.1641 3.6753 0.1905 1.0526 0.3609 0.1995 0.6417 1.4465 0.2171 0.9087 0.4982 0.2082 0.1544 0.7882 1.2810 2.0683
D-Arginine 1.5359 1.1502 0.8848 0.4213 0.4863 0.7084 1.2287 1.1438 1.1347 1.0004 0.9191 0.7051 0.4798 0.7707 0.8095 1.3969 1.0119 0.7192 0.8739 1.2078 1.3687 0.7747 1.2219 1.0602 0.6807 0.9097 1.0776 1.0963 0.8057 1.0601 1.3005 0.9718 0.8681 0.8479 0.9242 1.2679 1.0020 0.8404 0.7591 1.3124 1.0094 0.6755 0.7657 0.8983 0.7195 0.7783 1.5472 1.4837 1.4900 1.0486 0.6046 0.9287 1.1574 1.1974 0.8319 0.9412 1.1639 1.5236 1.2820 1.3542 1.1317 1.1687 0.9178 0.6967 0.5979 0.6614 1.0363 1.3750 1.3167 0.9950 1.3353 1.2055 0.6616 0.8216 0.7549 1.0607 1.2729 1.3915 1.3071 1.1749 0.6968 1.4067 1.3624 1.4600 1.3672 0.8338 1.4119 1.1773 1.6243 1.0554 1.0602 1.5317 0.9962 0.4254 1.2388 1.2146 1.2484 0.7687 1.4209 0.8743 0.9553 0.9811 1.0108 1.0064 0.9665 1.3457 1.5558 1.0363 0.7461 1.2739 1.3898 0.4261 0.6663 1.2165 1.4468 0.9179 1.5555 1.1521 1.4296 0.7490 0.9328 1.0042 0.8337 1.0348 0.6615 1.2755 1.1211 1.0487 1.0972 1.7362 1.6572 0.8962 1.0592 1.1256 1.4830 1.1569 1.5430 1.1671 1.2814 1.2243 0.9771 1.1522 1.4732 1.4166 1.4790 1.2979 0.8013 1.4014
D-Asparagine 1.1357 0.9018 1.0589 0.7002 0.7058 0.9351 1.0954 0.8790 0.9789 0.9756 0.8175 0.9183 1.2882 0.9369 1.0413 1.0120 0.8521 0.8923 0.8803 1.3791 1.2798 0.8127 0.9586 1.1573 0.9107 0.7325 0.8275 0.9099 0.7068 1.5860 1.2607 0.7981 0.8049 0.9158 0.8764 0.7561 0.9736 0.9536 1.2093 1.1099 0.9363 0.7803 1.1614 1.1702 0.9386 0.7530 1.0535 1.1270 1.4711 1.1345 1.0163 0.9151 1.1024 1.0307 1.2023 1.3562 0.8490 0.7562 1.3840 1.1778 1.1266 1.1328 0.8939 0.8317 0.7355 1.0338 1.2192 1.3440 1.4411 1.5779 1.1236 1.3530 0.8376 0.7499 0.8953 1.2012 1.0070 1.2455 1.0320 1.2890 1.1188 1.6972 1.0738 2.3464 1.0414 0.9687 1.3346 1.0753 1.2678 1.4976 1.0954 1.1621 0.9779 1.0077 1.3059 1.4569 1.4660 1.0291 1.7359 1.2533 1.2570 1.0509 1.0142 1.5468 1.3127 1.4456 1.3683 1.0799 1.1593 1.0517 1.1486 1.0280 0.5800 0.9135 1.5259 1.6552 1.3358 1.4040 1.9609 0.9189 0.7897 1.9750 1.2723 1.6677 1.0404 1.5370 1.2102 1.1609 1.3033 1.9758 2.0851 1.2478 1.7145 1.8052 1.5371 1.5937 1.7938 1.5390 1.2686 1.4184 1.1211 1.4884 1.6077 1.9397 1.6117 1.3991 0.0843 1.1122
D-Aspartate 1.6248 1.2873 0.5115 0.4016 1.0020 1.0539 0.9702 0.5301 0.9980 1.2420 0.8029 0.7343 0.6014 0.5482 0.7951 1.0373 0.4502 1.2967 0.7956 1.5784 0.6328 0.9410 0.6652 0.6106 0.5654 1.0867 1.1998 0.9842 1.0369 1.5077 0.9579 0.8094 0.7255 0.8674 0.9348 0.6885 0.9264 0.7604 1.0328 0.4762 1.5550 1.0601 1.0956 0.7041 1.1808 0.7363 0.8880 0.9066 1.5871 0.8631 1.1302 0.8926 1.2030 0.8391 1.0892 0.8931 0.9433 0.5539 4.4050 0.9405 1.6340 1.0605 0.9557 0.9783 1.0130 1.3980 1.1527 0.6974 2.1109 1.0632 1.0249 0.9314 0.9810 0.8304 1.6979 0.5881 1.5972 0.8120 1.1078 0.7963 0.8135 6.9987 1.8742 0.8595 1.1392 0.8358 0.8789 1.3593 0.6401 1.1225 1.5222 0.9721 1.0224 1.1016 1.4638 1.6695 1.0754 0.8037 1.1528 1.3452 0.8551 1.5161 1.1727 1.2536 1.1449 0.9650 1.2191 1.2018 0.7638 0.5651 0.6218 2.1460 0.6581 0.5693 1.5430 1.1635 0.7558 1.5727 1.1756 0.7118 1.3699 1.5515 1.0455 1.3205 0.6985 1.5863 1.0544 0.7677 1.0071 0.9408 0.6075 0.6637 0.8941 1.2294 0.7925 1.1561 0.8976 0.9695 1.5169 0.7959 0.6233 0.8342 0.9634 1.2949 0.7948 0.5004 0.6757 1.8050
Decanoylcarnitine 0.2387 0.4462 0.5095 0.3305 0.3684 0.4623 2.3487 1.4680 0.5730 0.6926 0.6103 0.6046 1.3437 1.5285 1.6680 0.4659 1.0960 0.2320 0.5556 0.4515 0.4359 1.1937 0.8735 0.7376 1.2723 0.3697 0.5417 0.7373 0.6101 0.3355 0.6433 2.1069 1.2224 0.7154 0.7882 0.8285 1.3646 1.8524 0.7379 0.3542 0.5086 0.9068 0.9792 1.6037 0.6195 0.6780 1.5510 0.8207 1.5564 0.7570 1.4546 1.5598 0.5043 0.7267 1.1017 1.1199 0.6680 0.6548 0.2389 0.9319 0.2841 0.2138 0.6695 3.3777 0.5383 1.1461 0.5560 0.5039 0.8911 1.1027 2.0989 1.4258 0.6521 0.3358 0.9620 0.8401 0.6084 1.0124 0.7209 1.9794 1.7815 3.3675 1.0802 0.5429 1.4026 1.3388 4.8934 1.0498 0.8303 0.6175 2.1878 1.4297 1.3101 1.3859 0.8138 1.0934 3.5681 2.2616 1.2083 4.3137 3.1150 1.4967 2.3842 0.7484 0.6701 1.1952 2.7943 1.0074 1.2616 0.7934 1.3824 1.4099 0.3716 0.0046 0.5961 1.2138 1.7958 0.7031 0.8533 1.1926 1.3251 1.7481 1.7273 0.4835 0.6413 0.2910 1.9479 0.9609 1.0478 1.2891 3.0223 1.1100 4.3877 1.2258 1.4790 1.6654 1.1528 0.5571 2.0957 0.8149 0.9051 0.8546 1.0124 0.6340 1.3790 0.8844 0.3184 0.4692
Dehydrofusaric acid 0.9913 1.3030 1.3511 0.9399 0.8560 1.6660 1.0235 0.9208 1.5138 1.0829 1.2900 0.6108 0.7961 2.1505 1.5980 0.7360 1.3008 2.3911 2.5552 1.1085 1.1926 1.0675 1.2786 1.1839 1.1100 0.6621 0.8573 1.6370 1.4023 1.4694 1.3357 1.5401 0.8186 0.7699 0.7701 0.4275 0.8767 0.7356 2.0249 2.0173 1.5034 1.2541 1.3053 1.0763 1.5385 1.0355 0.8811 0.7028 1.0442 0.6587 0.8113 1.1365 0.7751 0.9778 1.6479 1.7706 1.2495 0.8811 0.7191 0.9600 0.9983 0.9272 0.9643 0.7660 1.1725 1.0245 0.8259 1.1155 0.6955 0.5884 0.8770 0.7190 0.7334 1.3348 2.3191 1.7584 1.5302 1.2368 1.5242 1.3865 1.2216 1.3299 1.0407 0.8625 1.0994 1.1850 1.0804 0.9003 1.0063 1.7314 0.9133 0.9308 1.4587 1.0442 1.2926 1.5401 0.8488 0.8165 1.3646 0.7516 1.0391 1.2251 1.3831 1.1065 0.9540 1.8323 1.7771 0.9074 0.7256 1.1699 1.4666 1.0691 1.0048 0.8655 1.1719 0.6300 0.9922 0.9774 0.8431 0.6303 1.0687 1.1046 1.9721 0.9717 0.4167 0.9242 0.6502 0.8762 0.7040 0.9486 0.7036 1.3868 0.4649 0.7407 0.9466 0.6780 0.8072 0.6572 0.5629 0.5595 2.0189 0.6885 1.4044 1.0600 1.2092 0.6126 0.5999 0.8158
Deoxyguanidinoproclavaminic acid 0.7682 0.5649 0.8324 0.1516 0.3235 1.0656 1.1045 0.2158 0.3449 0.2647 0.4997 0.4593 0.6184 0.1723 0.0949 1.0918 0.2886 2.3438 0.7445 2.7091 2.0501 0.5318 0.6808 0.7086 0.2997 0.1793 0.8870 0.2148 0.7621 2.3033 2.2465 0.8466 0.2817 1.1016 1.0938 0.6502 1.6874 0.3759 1.2034 1.3354 4.3197 0.8539 0.4090 1.7078 0.6635 1.5306 0.6237 0.4776 0.3805 0.9324 4.0249 1.1520 0.5909 1.0463 1.2612 2.1329 0.6814 0.4401 0.3227 0.5700 1.1704 0.2620 0.5547 0.2960 0.8086 0.6325 1.9249 0.9877 1.9831 0.5259 0.4893 0.4982 0.8545 0.3655 0.6091 2.1710 1.0253 0.5502 0.9977 1.2454 1.3585 0.6947 0.9573 2.1070 0.8799 1.3416 0.2678 0.7391 1.0854 0.9622 0.5347 0.4403 0.2387 0.3986 1.0016 0.3792 0.7893 0.5276 1.3987 1.0297 1.8723 0.3384 0.6058 0.2585 0.3562 1.6521 0.6301 0.7185 0.5086 1.4873 1.3973 0.6884 0.5770 0.9728 2.1054 2.7574 1.3042 1.0555 1.4501 0.1647 2.0957 0.6107 0.3522 1.0907 0.4758 0.9041 0.7381 0.6145 0.2807 1.0369 0.7945 0.7227 0.2497 2.3475 1.5726 3.5321 1.5552 0.8205 0.3831 1.0616 0.9616 0.9545 0.7458 5.0497 1.6556 1.9295 1.2802 1.4856
Dethiobiotin 0.7995 0.8626 0.8126 0.8310 0.2572 1.1367 1.0660 0.9673 0.8335 0.8836 1.2900 0.5677 1.0668 1.0555 0.9957 0.8419 0.6594 1.6066 0.8643 1.0393 1.0237 0.8876 0.8744 0.8079 0.6827 0.3456 0.3672 1.0268 1.1637 1.3629 1.2055 1.4637 0.8445 0.7943 0.9216 0.7405 1.1225 1.0179 1.6112 1.8189 1.3162 2.1095 1.1595 1.0132 1.3509 0.9976 1.0364 1.1501 1.9600 1.4803 1.4385 0.8151 1.1477 1.1385 2.1957 1.4798 1.2121 0.8174 1.1741 1.3645 1.0260 1.0257 0.8597 1.0707 0.8201 1.2122 0.7525 0.7513 0.6170 0.7407 1.0563 1.0615 1.3472 0.6719 1.1929 1.0722 1.0820 0.7436 0.8871 0.7610 1.0020 1.1977 0.7626 1.2794 1.2409 1.1815 0.8659 0.7679 0.7298 0.9024 0.8256 0.7631 0.8901 0.8249 1.3149 1.4717 1.0638 0.8098 1.1555 1.2881 1.0563 1.1008 1.1424 1.1169 1.0021 1.4021 1.2710 1.0056 0.9652 0.8117 0.8451 0.7862 0.7222 0.7354 1.2169 1.0644 1.1579 1.2083 1.6305 1.1026 0.3783 1.3900 0.8714 1.2008 1.4947 1.3375 1.3557 0.8038 0.7057 1.2432 0.9728 1.1762 0.8536 1.3133 1.4143 1.8786 1.5108 1.2223 1.1540 1.2284 1.0507 1.2904 0.9688 1.4149 1.4147 0.9002 0.9116 0.8553
D-Glutamate 1.2597 1.2401 0.8068 0.4813 1.4119 1.3440 0.5191 0.4774 0.8446 0.5177 0.8920 0.9717 0.8068 0.4464 0.6190 1.4682 0.5838 2.7802 1.1694 1.1002 0.5071 0.6170 0.4640 0.7183 0.3079 1.9228 1.2210 1.3952 0.8858 1.3709 0.9860 0.8062 0.6892 0.8566 1.5794 0.6675 0.9674 0.5701 1.2206 0.5617 1.6799 1.2426 0.5937 0.4672 0.7315 0.3983 0.8227 0.6257 0.9197 0.7022 0.9240 0.6655 1.0098 0.7720 1.3127 0.9830 0.8580 0.4581 1.8411 0.6286 1.0018 1.0484 0.9487 0.5428 0.7292 0.6498 0.7411 0.5213 0.5423 0.4894 0.6675 0.5421 1.7066 0.9443 1.0742 1.1149 1.5681 0.5641 0.8116 0.4853 0.6977 2.0609 1.2292 1.1562 0.8558 0.6423 0.4090 1.1202 0.4847 1.7311 1.1133 0.6430 0.7342 0.5818 0.9062 1.0202 0.5354 0.4424 0.8388 0.5473 0.3856 1.2597 0.5842 0.9856 0.8868 1.0674 0.7545 0.7414 0.5875 0.6683 0.7680 1.0069 1.1967 0.8159 1.2038 0.7107 0.7658 0.8032 0.7261 0.6482 0.5973 1.0698 0.6780 0.4571 0.7130 0.7345 1.3936 0.6713 0.6124 0.8894 0.3989 0.3120 0.3899 0.5404 0.4654 0.5729 0.6256 0.5570 0.7108 0.3423 0.5286 0.3965 0.3661 1.0818 0.3380 0.2245 2.5364 1.4200
Diacetone acrylamide 4.2041 1.7748 0.8887 0.6686 0.1180 0.1051 0.5056 2.7562 0.3987 0.2548 0.2888 0.1234 0.1299 0.4280 0.1338 2.7650 0.1034 0.3725 0.9382 0.2458 0.6518 0.4840 0.8735 0.5605 0.2037 0.2194 0.3130 2.7137 2.4266 1.2567 1.8802 0.1523 1.3691 1.6401 0.5362 0.1210 1.3909 0.2990 3.1810 0.6796 3.8935 6.2260 2.2027 4.3178 0.1691 0.1222 0.6772 1.6172 0.0849 1.1680 3.5449 2.0014 0.1094 0.1700 0.2276 0.9418 0.2438 0.1727 0.3243 0.7526 0.5162 3.6168 0.8219 0.1080 0.9509 1.2858 1.4893 4.3410 1.1797 0.4717 0.4855 0.2188 0.2314 0.2515 1.0726 0.2222 2.8447 1.8352 0.7717 1.1364 0.4443 0.1299 0.2486 0.8034 0.0969 0.1153 0.2877 0.5312 0.8784 1.0908 0.8669 0.3072 1.9563 1.5824 0.7603 0.3510 0.6392 0.6452 1.6903 1.1402 4.5201 0.1256 0.5111 0.6638 2.4153 0.6382 0.7338 0.1431 0.7228 3.4978 0.7968 1.1074 0.0962 0.6871 1.9588 2.4864 0.3198 0.3345 0.1288 0.4294 0.3392 0.9755 2.7044 0.1976 1.1838 3.7023 0.2299 0.8178 0.1060 1.6289 0.4133 5.3447 2.3105 0.8150 0.5161 0.3181 0.4473 0.1063 0.7791 0.9700 1.1667 1.0429 0.1253 0.5813 0.1481 4.9395 0.6806 0.9351
Dibutyl sebacate 0.1899 0.2545 1.3173 0.6046 0.7421 0.9275 0.2537 0.6223 0.3945 0.2389 0.6238 1.2215 0.7970 1.3818 0.2313 0.6993 0.2402 1.6771 0.2689 1.5042 0.8555 0.6647 0.8039 4.5077 0.4208 1.2164 1.5646 1.8618 0.6014 1.6133 0.7219 0.3786 0.9777 0.8903 0.4916 0.8183 1.1908 0.6489 0.4781 0.5780 0.3842 1.6970 0.4051 0.4299 0.4130 0.3553 1.7833 0.7491 0.2737 0.3388 0.5706 0.2076 1.9405 0.7956 0.5771 1.0343 1.4120 0.7256 0.7686 0.3558 1.8261 0.3487 0.5211 0.5090 0.4271 0.8137 1.1525 2.6309 1.2948 0.6152 0.7644 0.8185 0.9373 0.5691 0.7668 0.9400 1.7807 0.3918 0.6082 1.4641 0.6787 0.2597 2.3890 6.0455 1.1978 0.9426 0.1141 0.5529 1.1208 1.0738 1.2626 0.7338 0.7041 1.5319 0.6490 0.7860 1.0961 0.7917 1.0272 0.9357 1.3847 0.4160 0.9425 1.1619 0.7478 0.7152 0.8291 1.3399 2.2227 0.3691 0.8267 0.8776 0.3925 0.3108 0.1808 0.2945 1.4284 1.5729 2.1405 0.8276 0.7185 2.3533 0.6526 0.7851 0.9607 1.3859 1.1271 2.5632 1.6162 0.4094 1.6772 1.0283 0.9405 2.6802 0.6281 0.6017 0.5386 0.3717 4.9455 2.4026 0.7623 3.1546 3.5654 0.1038 0.1640 2.2268 1.0509 0.7644
Diethofencarb 0.0445 0.0495 0.0607 0.0480 0.2072 3.1946 0.0586 0.0424 0.0502 0.0410 0.0472 0.0459 0.0408 0.0416 0.0586 6.2821 0.0381 7.4666 2.4117 0.0413 0.0382 0.0512 0.0395 0.0427 0.0429 0.0388 0.0458 18.9448 0.0511 0.0453 0.0446 0.0577 1.3065 0.0411 1.3352 0.0490 0.0397 0.0444 0.0518 0.0466 0.0540 0.0583 0.0562 0.0477 0.0502 0.0419 0.0427 0.0620 0.0511 0.0433 0.0447 0.0418 0.0426 0.0438 0.0459 0.0439 0.0406 0.0479 0.0403 0.0555 0.0450 0.0511 0.1714 0.0493 0.0526 0.0429 0.0494 0.0441 0.0482 0.0525 0.0449 0.0436 49.4211 0.0464 0.0412 0.0366 0.0430 0.0493 0.0440 0.0418 0.0540 0.0429 0.0482 0.0415 0.0414 0.0549 0.0408 0.0462 0.0430 0.0532 0.0449 0.0401 0.0447 0.0538 0.0378 0.0388 0.0390 0.0434 0.0475 0.0464 0.0483 0.0386 0.0418 0.0486 0.0464 0.0539 0.0424 0.0448 0.0425 0.0395 0.0524 0.0514 0.0459 0.0441 0.0611 0.0390 0.5925 0.0512 0.0392 0.0373 0.0394 0.0377 0.0564 0.0502 71.8808 0.0633 0.0521 0.0455 0.0476 0.0402 0.0394 0.0490 0.0491 0.0512 0.0561 0.0549 0.0448 0.0454 0.0471 0.0440 0.0497 0.0473 0.0401 0.0521 0.0472 0.0395 0.2993 0.0699
Dihydrothymine1 0.7369 0.8007 0.2144 0.5114 0.1777 0.6391 0.1997 0.7307 0.2492 1.9518 0.4465 0.2125 1.4714 0.1919 1.4135 0.4492 1.0248 0.6686 0.5582 0.3972 0.7934 0.2402 0.3607 4.2945 1.0225 0.1080 0.4029 0.5019 1.5782 0.6332 1.5855 1.4002 0.2479 0.3552 0.6708 0.6231 0.4234 0.8805 0.6119 6.6254 2.4472 1.0501 0.9128 1.5414 0.4563 1.2359 0.2727 0.4598 3.6756 2.4218 0.3093 0.6203 0.7404 3.0356 0.8989 2.6450 0.5230 2.8703 0.7907 1.0796 0.2282 2.9249 0.4571 2.1702 0.3586 1.6238 0.5014 0.4090 0.2347 4.9902 0.2308 6.0349 1.9765 0.8791 1.1386 1.0323 0.1816 0.5643 1.1176 1.5813 0.1833 0.6011 0.1448 0.6175 0.3260 1.4251 0.3903 0.3259 0.4663 1.1669 0.9409 1.2421 0.2906 0.5486 0.6089 0.4715 0.5617 1.2337 0.0169 2.0598 0.5308 4.1128 1.4323 0.2922 1.9692 0.2853 0.5081 3.5534 0.9050 1.0483 2.8496 1.5949 0.5075 0.5350 0.9024 0.8207 0.5302 1.3553 1.3272 0.4727 0.4096 0.4679 1.0834 1.0423 2.5773 0.3650 1.0739 0.5856 0.2163 0.8991 0.2118 2.6653 1.8700 1.3866 1.8100 2.5924 0.7219 0.2936 0.5309 0.6973 1.1632 2.4752 0.6958 3.0899 1.0059 0.6146 0.6351 0.2811
Dihydrothymine2 0.6597 1.1858 0.5904 0.9142 0.8360 1.0248 0.8098 1.0612 0.7310 0.5426 1.3458 0.5914 0.9130 1.0669 1.4747 0.7181 1.0475 1.7765 1.0460 0.7252 1.0322 1.1043 1.4275 0.7616 1.0421 0.5328 0.7550 1.0210 1.3851 0.7649 0.9653 1.6412 1.1335 1.2903 1.2751 0.6917 1.3097 1.2891 0.9139 0.7769 2.0444 2.4944 0.8666 1.4319 1.0945 1.1541 0.8856 1.3337 1.1666 0.8874 1.2406 1.8980 0.5487 1.1643 1.6780 2.6558 1.0663 1.9612 0.5423 1.1836 1.1911 1.3438 0.6105 0.6142 1.0283 1.0670 0.7082 0.9929 0.7503 0.8965 0.8415 0.9866 0.9446 1.0486 0.8533 0.9857 1.3517 1.5652 0.5660 0.8764 0.9463 1.1237 0.4531 1.1581 0.9227 1.5634 0.9648 0.7055 0.9586 0.9764 0.8893 1.5407 1.1049 1.0325 0.6268 1.0809 0.7986 1.0490 1.2471 0.8805 1.1186 0.9474 1.5894 1.4405 1.2499 0.8165 1.6190 1.4800 1.2841 1.4559 1.4166 1.3324 1.3862 0.8057 1.2765 1.3242 1.2886 1.3274 0.9669 0.4766 1.1258 1.0093 1.0338 0.7840 1.1190 1.2829 1.1591 0.5567 0.6347 1.6810 0.8515 0.8302 1.0441 1.2421 0.9937 1.2003 1.0704 1.1271 1.4369 1.1061 0.8609 0.9327 0.8819 0.7533 0.8683 1.5612 0.7806 0.8561
Dinotefuran-metabolite-UF 0.9112 0.7209 1.0807 0.7931 2.1975 1.6602 1.2095 0.7948 1.2464 0.8876 1.3893 1.4743 0.8160 1.3146 1.1580 1.0598 0.7534 1.2669 0.9952 1.1375 1.0384 1.2361 0.9818 1.0901 1.1729 1.6176 1.2030 1.2038 1.0786 1.5353 0.9308 0.7721 0.7892 0.7008 1.3490 1.0192 1.0739 0.9437 1.1502 1.0869 0.9221 0.9092 0.9175 0.8721 1.1428 0.5298 1.1001 1.0540 1.1693 0.8136 1.0054 0.8275 0.9715 0.8205 1.5049 1.1744 0.9367 0.6676 1.0394 1.0265 1.3590 0.6834 1.1154 0.7113 1.3007 0.8204 0.8810 0.7123 1.1150 0.8983 1.0772 0.9645 1.4689 0.7996 1.1766 0.8619 1.2752 0.8300 0.8897 0.6849 0.8405 0.9215 1.6232 0.9970 1.1847 0.8429 0.9858 1.6847 0.6417 1.9050 1.1077 1.1686 1.3860 0.6986 1.2018 1.3585 0.9851 0.6717 0.8518 1.2724 0.9580 1.5940 0.9960 0.8662 0.8255 1.8540 1.5370 1.0931 0.8497 0.7018 0.9851 0.7278 1.0594 0.8417 0.9816 0.8962 0.8379 1.0882 1.1685 0.8464 2.3310 1.3375 0.9175 1.0715 1.2380 1.4880 1.2653 1.0947 0.9145 1.0518 1.3265 0.7423 0.7846 0.9406 0.9185 1.8588 1.0610 0.9895 0.7682 0.8258 0.9293 1.0544 0.8127 1.3063 1.1036 0.7842 0.9104 0.9428
Divinyl sulfone 2.2747 0.7974 0.9847 1.3215 0.6993 0.8770 0.6381 1.5049 1.3541 1.9886 0.8476 1.0259 3.8946 1.8347 1.5096 0.5417 0.9585 1.2468 0.7474 0.4226 0.6945 0.4068 1.7736 0.6650 0.7921 0.4405 0.4567 0.5156 0.5265 0.6491 1.4714 1.3872 0.4855 1.1614 0.6828 1.4997 0.4360 0.6912 3.1426 1.2603 1.8178 0.6575 1.3289 1.2242 0.2707 0.5583 1.0321 1.4716 0.7411 2.6476 1.7522 1.5266 0.7924 0.8711 0.9780 0.5749 0.4684 0.8657 0.8626 0.6213 0.6835 2.6601 0.6384 1.4925 1.1313 0.9735 0.6589 0.4983 1.0388 0.6343 0.8102 0.8925 0.6157 0.7859 0.4741 0.8046 1.5644 2.1247 2.3501 0.8561 0.5171 1.6038 1.1100 0.7624 0.4691 1.0019 1.2253 1.0639 0.9434 1.2215 0.4911 1.1971 3.8623 0.5335 1.2997 2.4588 1.1094 0.7648 0.6029 1.0222 0.8407 1.1738 1.3211 0.7771 1.2339 1.1535 1.2350 0.7065 1.3342 0.5985 0.8603 0.7429 1.9079 0.4543 0.5479 1.4448 0.3904 0.7732 0.9242 0.4071 1.5378 0.9079 0.6651 2.9315 1.8145 1.3539 0.7868 0.6441 1.3419 0.9012 3.1665 1.4477 0.9619 0.4435 0.7645 1.4591 0.7171 1.2246 0.3899 0.9449 0.3477 0.7351 0.5315 3.2467 0.9998 0.9039 0.6478 1.1890
Dodecenoylcarnitine 0.6081 1.1341 0.6361 0.3049 0.5356 0.7935 1.5116 0.9644 0.8367 0.9229 0.8080 0.6577 1.3543 1.8834 1.7088 0.3769 1.2228 0.4051 0.7081 0.7847 0.7270 1.1347 0.7530 0.7331 1.2183 0.3855 0.5953 1.0565 0.9966 0.4468 0.5770 2.2551 0.7118 0.4477 0.7702 0.4277 1.1564 1.2906 0.8238 0.3122 1.0133 1.5502 0.7658 1.4155 1.0626 0.9448 1.1495 0.6790 1.5703 0.7774 1.4318 1.1498 0.4725 0.8626 1.5873 1.4646 1.2358 0.8399 0.1810 0.5175 0.4164 0.3575 0.5447 1.1124 0.5676 1.1326 0.4584 0.4759 0.6563 0.9273 1.1220 0.5962 0.5999 0.3444 0.6303 0.8165 0.9585 1.1255 0.8196 1.6338 1.5334 1.7940 1.2248 0.7201 1.0580 1.6050 3.3969 1.1675 0.6988 0.7770 1.3649 0.8647 1.4867 1.5383 0.7186 0.9657 2.9134 1.4700 2.0423 2.3078 2.2112 2.2198 2.7758 1.1916 0.9013 0.9208 1.7338 0.8250 0.6676 1.0105 1.5343 1.5267 0.4736 0.3480 0.6517 1.6823 1.6371 0.6559 1.2807 1.5029 1.4608 1.4181 1.3023 0.5743 0.4899 0.5189 2.8165 2.0466 1.1907 1.4486 2.0564 1.6246 2.3826 1.6902 1.4853 1.9805 1.1382 0.6617 1.5425 1.5326 1.4283 0.9935 1.9538 0.8659 1.9189 1.3198 0.5171 0.7249
D-Ornithine 1.1397 1.1290 0.7198 0.4067 0.3947 1.2252 0.8135 0.6775 0.9330 0.6021 0.5032 0.5392 0.8662 0.9299 0.7666 0.9150 0.9346 0.7833 0.8376 0.7781 1.1074 0.7115 1.0794 1.0030 0.8644 0.5358 0.6986 0.9969 0.9596 1.5796 2.1149 1.5551 0.9681 1.1122 0.6124 0.4605 1.3491 1.1966 0.9532 1.4898 1.0275 1.1272 1.0001 1.3817 0.9279 0.7383 1.0144 1.1534 0.9181 1.1246 1.0197 1.8194 0.8085 0.6418 1.6666 1.6993 0.6815 0.7480 1.0124 1.5647 1.0392 1.6733 0.6134 0.6368 0.4607 1.0072 0.9446 1.1738 1.6685 1.0262 0.7156 0.6811 0.6220 0.8553 1.1878 1.7467 1.2645 1.1226 1.0536 1.2657 1.0112 1.0582 0.8631 2.8540 1.1148 0.9783 0.8286 0.9161 1.6137 0.9392 0.5292 1.0961 1.0582 0.7545 1.2244 1.4645 1.1864 0.7996 1.0778 1.0075 0.6418 0.7711 0.8042 0.7373 1.9375 0.6559 1.7625 0.8213 0.7499 1.0843 2.0942 0.8700 0.6145 0.7999 1.2222 1.1546 0.9270 2.4761 1.4601 0.4564 0.9742 1.3670 1.2156 1.1807 0.7281 0.9892 1.1164 0.8598 0.9271 2.4902 1.4841 1.0983 1.0836 1.0411 1.0174 1.2427 1.3007 1.3932 1.1700 1.3664 1.3924 1.4042 1.0606 1.7465 1.4953 1.3946 0.7601 1.2669
D-Pipecolicacid1 1.0184 0.8651 1.0931 0.6973 0.8552 1.0213 1.2059 0.8238 1.2753 0.9064 0.9815 0.8419 0.8287 1.1549 1.0803 0.9810 0.8500 1.9885 1.1923 1.2432 1.1189 0.8415 0.9901 0.8851 0.8403 1.1889 1.0063 0.9834 0.8356 2.6121 0.9853 0.8846 0.9477 0.8316 0.9378 0.8126 0.9907 0.7674 1.1675 1.3546 1.6796 0.7872 0.9503 1.0006 1.0523 0.7556 1.1331 1.0431 1.3596 0.8618 0.8532 0.9602 0.9295 0.9691 1.1430 1.1570 0.9469 1.1990 1.4300 1.0964 1.2469 0.9291 0.8834 0.5767 0.6742 0.7222 1.0538 0.9980 0.9044 0.7087 1.3952 0.9555 1.0357 0.9198 0.9572 1.8042 2.0865 1.5892 0.9272 0.7917 1.2349 1.1282 1.1427 1.0082 0.9553 1.2626 1.0312 1.0427 0.8594 1.2625 0.9478 1.0458 1.0576 0.8483 1.5235 1.3440 0.8781 0.6812 1.5166 1.0102 1.0953 1.0822 1.1593 1.1988 1.0557 1.3278 1.2198 1.1036 0.9007 1.0067 1.0785 2.0421 0.9711 0.9503 1.2508 1.7990 0.9238 0.8289 1.1273 0.7772 1.3974 1.3319 1.0384 0.9115 1.1285 1.3752 1.2155 1.0163 0.8886 1.9134 1.1957 0.9340 0.7902 1.0848 1.0302 1.0842 1.0755 1.0174 1.0635 0.9315 0.9606 0.9028 0.9452 1.0579 1.1452 0.9293 0.8398 0.8782
D-Pipecolicacid2 2.9766 0.7367 0.5733 0.5103 0.7122 0.6914 0.6014 0.5055 0.5063 1.0356 0.6824 1.2795 1.3117 0.5131 1.9535 0.7168 0.3914 0.8215 0.8914 0.6295 1.2587 0.5663 1.4365 0.6432 0.9198 1.0334 0.6525 0.6383 0.7011 0.7634 0.6525 0.8105 0.5212 2.0686 1.2048 0.6279 0.6821 0.9397 1.5131 1.4853 1.0849 0.3136 0.5773 0.6182 0.7170 0.5259 0.8653 0.6900 0.4646 1.9281 0.5463 0.9544 1.2802 0.5470 0.6647 0.6145 0.6515 0.6112 0.5271 0.4939 1.1046 2.8986 0.4206 0.4504 0.4493 0.5065 0.7380 0.7473 0.8996 0.6279 0.8442 5.0880 1.6559 0.8889 2.1338 0.8088 2.2287 1.6598 2.0798 0.8027 0.3593 0.7698 0.5246 0.6444 0.5077 1.3520 1.1023 0.7469 1.4178 0.7332 0.3729 0.8638 1.0777 0.8574 0.8766 1.1668 0.4203 0.3395 0.5489 1.2827 0.5374 0.8339 0.7522 1.9910 1.0267 0.7929 0.8078 0.8517 0.6934 0.6120 0.4165 0.9084 0.5963 0.2792 0.8809 0.7931 3.6414 1.4344 0.6826 0.3241 1.4094 2.6145 0.6992 3.5209 0.6082 1.6063 0.4029 0.9209 6.1318 1.3484 1.7245 0.5735 0.7950 0.6687 0.5727 1.7539 1.8349 1.5287 1.5053 1.1652 0.8649 0.6005 0.6845 1.3262 1.2497 0.7338 1.1300 1.3626
D-Pipecolicacid3 0.8971 0.8101 1.0289 0.5066 0.3009 0.6020 0.7170 0.4354 0.8079 0.5157 0.8714 0.4767 0.9987 0.9514 0.7535 1.5596 0.5244 0.8134 0.6036 1.2784 0.9202 0.8973 1.0502 1.1641 0.8971 0.2082 0.8868 0.9854 0.9092 1.2808 0.8692 0.5602 1.0492 0.9357 0.3106 0.0630 0.9589 0.5814 1.6872 1.1070 2.4948 1.7259 3.2249 1.7644 1.0424 0.7165 0.6740 0.9765 0.6181 0.4965 1.0979 0.9423 1.4761 1.0389 1.1859 0.9641 1.1766 0.7926 0.7505 1.2011 0.9821 0.8571 0.8348 0.6519 0.6466 1.0710 1.4998 1.2118 1.6227 1.1651 1.2703 1.3573 1.5193 0.9620 1.2587 0.9482 0.9893 0.6933 0.9112 0.7596 0.5442 0.7303 0.0368 1.0134 0.0543 0.8044 0.9623 1.0420 0.8115 0.9599 0.7830 0.4391 1.3130 0.6397 1.0627 0.9542 0.8646 0.6399 1.2249 1.2371 1.0418 0.9618 0.4669 1.2556 1.2897 0.6970 0.6439 0.9767 0.9640 0.9230 0.5611 0.7503 0.4481 0.9178 2.7549 1.6034 1.1827 1.3980 1.2493 1.5404 1.1783 2.4094 1.7941 1.2475 0.6123 1.4119 1.8182 1.9383 1.2587 1.8467 1.0666 1.2235 1.1892 1.9074 1.8397 1.4128 1.1790 1.8552 2.1219 1.3068 0.9731 1.1755 0.9651 1.9605 1.6123 1.5587 0.9458 1.0215
Ecgonine1 1.5582 1.7781 1.2873 1.2990 0.8936 1.3766 0.9817 0.9729 1.2408 1.0120 1.1154 0.9257 1.2709 0.9943 0.6338 0.8690 1.1323 0.9475 1.2576 0.4222 0.5758 1.5490 1.8867 1.3166 1.1106 1.0403 0.8058 1.7301 1.7123 1.4133 1.4940 1.4520 0.5860 0.6435 1.1111 0.8227 1.0523 1.0572 0.9502 1.3793 1.4764 1.5960 1.2757 1.0276 1.0130 0.8585 0.8243 0.9588 0.7606 0.5415 1.1888 1.4507 0.8831 1.0689 1.7955 1.9326 0.9718 1.1927 0.9332 0.7494 1.0525 1.0670 1.0274 1.4079 0.9810 0.7693 0.9950 1.6891 1.1438 0.6788 1.1104 1.3721 1.4035 1.1365 1.5157 1.0657 1.9851 1.9820 1.4932 1.5018 0.8061 1.2501 0.4737 0.7900 0.6284 0.6486 1.0626 1.0795 1.0932 1.3322 0.8480 0.9326 1.0191 0.9222 0.9628 1.0933 1.0175 0.9514 1.3853 1.0446 1.3579 1.0890 1.1603 1.0699 0.8981 1.4520 1.6492 0.5573 0.5002 1.0399 1.3358 1.0900 1.1034 0.9832 0.7347 0.4471 0.9209 0.8368 0.7181 0.8261 0.7609 1.1147 0.5210 0.7042 1.5056 1.2641 0.2878 0.7407 0.9705 0.9348 0.8627 1.2074 0.7014 0.3465 1.2086 0.9594 1.3260 0.4844 1.0395 0.7043 1.1124 0.7409 0.6351 1.4064 0.8752 0.3127 0.8651 1.6527
Ecgonine2 0.1819 0.3127 0.4964 0.8610 0.4218 0.3500 0.3995 0.4675 0.5904 0.4672 0.7016 1.4916 0.5117 0.5481 5.2765 0.2939 0.6705 0.3746 0.6339 0.6275 0.7180 0.4054 0.4463 1.2130 0.6933 0.2181 0.6034 0.4662 0.3750 0.3085 0.2958 0.3845 0.3138 17.8853 1.5990 1.4649 0.3848 2.1319 0.3531 0.9643 0.3745 0.1689 0.3829 0.6275 1.1886 0.6419 0.2913 0.4225 0.3484 0.6529 0.2770 0.3896 1.1780 0.3508 2.3411 0.6260 0.3223 0.7532 0.4059 0.3779 0.2823 0.3479 0.5784 0.3307 0.5653 0.2585 0.9745 0.3027 0.6237 0.1645 0.3846 1.5182 1.5849 0.3039 5.2887 0.5735 0.2502 0.3516 0.5940 1.6826 0.3799 0.3983 0.5375 0.9746 0.2821 2.1040 0.4005 0.5212 2.0416 0.3075 0.3171 0.3357 0.9068 2.5235 0.7029 0.6756 0.2659 0.3802 0.9984 0.3737 0.3293 0.3873 0.4518 2.5409 0.3539 0.8234 0.3048 0.2994 0.2839 0.3263 1.0217 0.9200 0.3127 0.3007 0.3186 1.0861 3.9422 0.9652 0.3702 0.1670 1.6051 5.4101 0.3339 0.5828 0.4584 0.3206 0.3729 2.3487 5.2480 1.9267 0.4289 0.3660 0.3347 1.1197 0.6235 0.6896 3.3364 5.2621 3.5338 1.7530 0.3594 0.6118 0.9733 1.1291 0.4258 2.1250 1.0461 1.7347
Echinenone/(Myxoxanthin) 0.4665 0.3649 1.6852 0.4207 0.5789 0.7545 1.1677 0.6367 1.1259 0.1174 1.1442 0.6929 0.2144 0.4735 0.2692 3.2333 0.3763 0.7959 0.4698 0.4701 0.5281 0.1926 0.6191 2.8969 0.8621 1.0939 0.1988 1.1572 0.1693 1.5831 1.6032 0.4027 4.5875 2.3181 1.3552 0.2834 2.2072 0.9218 2.1509 2.1749 1.1814 0.8679 4.0079 3.4706 1.4250 0.5203 0.8539 0.1884 1.4661 0.0782 1.9927 1.2822 1.3148 1.3271 0.9718 1.7153 1.3201 0.9410 0.5746 0.7309 1.2119 0.4113 2.3028 1.1795 1.5826 0.8317 3.0033 3.4002 6.4863 2.9620 0.9668 0.3774 0.7237 0.9645 1.1983 0.4060 1.2456 1.1673 0.6605 0.4357 0.5878 0.1010 0.3543 0.9605 0.0813 0.8530 0.2081 0.6845 0.2667 0.4455 1.0061 0.9307 1.1371 0.2906 0.1135 0.1966 0.7216 0.4376 0.0697 0.4420 1.6152 0.1469 0.7859 0.5086 1.1125 0.4978 0.1925 0.5653 0.6843 1.4386 0.0804 0.8067 0.2803 0.3875 2.0568 0.4254 1.6462 0.8662 1.7274 1.2628 0.4766 1.5887 1.9218 1.4661 0.2610 1.8742 4.4777 3.7542 1.1498 0.5494 0.9425 1.2613 0.2366 1.1826 1.1164 0.1409 0.1797 3.8606 3.1952 0.7259 0.7598 0.1325 1.3399 0.1468 0.9881 3.7587 0.4778 0.4438
Elaiomycin L 0.1094 0.1071 0.0643 0.8192 0.0411 0.0370 0.0396 0.0394 0.0402 0.0781 0.6113 0.9336 0.0867 0.0365 1.4141 0.9439 0.0428 0.0650 0.0758 0.4741 2.9093 0.0420 0.0416 1.7271 0.2831 0.9220 0.1582 0.0494 0.0748 0.0469 0.1009 0.2723 0.5767 3.9846 0.2230 0.2151 0.8511 1.1678 0.1203 0.2582 5.8393 0.6285 0.1023 0.0648 2.4335 0.0774 0.1689 0.0586 0.5111 0.8208 0.0327 0.0312 1.7622 0.1680 0.0450 0.6749 0.0522 0.0699 0.0348 0.1915 0.0490 0.5175 0.3476 0.0333 0.0395 0.0359 0.6003 0.3151 0.0895 0.5934 0.9373 4.0859 3.9091 0.8122 4.9463 2.1046 0.0959 0.4432 0.0401 1.3235 0.1081 0.0280 0.0305 0.3875 0.5758 0.0352 0.6217 0.0338 2.0246 0.0440 0.2176 0.0397 0.2146 1.9677 0.0322 0.0420 0.0304 0.0811 1.4810 0.2153 0.3228 0.0970 0.1129 5.5515 2.0210 0.0223 0.0277 0.3155 0.0296 0.2384 0.6759 2.8167 0.0343 0.0756 2.6328 3.1432 3.3016 1.0919 0.0971 0.8732 0.0384 10.4694 0.5529 0.0291 0.1818 0.0660 1.2757 2.2926 7.6802 1.8720 0.1144 0.4439 0.0435 2.8497 2.6231 0.2140 5.9197 3.1438 1.0086 2.9250 2.2938 1.0208 2.5064 1.0355 2.6386 1.5052 1.6165 0.9582
ELV-N34 0.5595 0.2304 1.6412 0.5000 0.5437 0.6795 0.3675 0.5681 0.8350 0.1750 0.4622 0.9008 0.5839 3.3623 0.9111 0.8423 0.3124 0.8763 0.6693 0.7760 0.6267 0.4870 0.7477 1.8283 0.4307 3.1532 0.9189 1.6112 0.5970 1.7433 0.9095 0.7725 2.7141 2.0664 1.7037 0.5995 0.7379 1.4410 1.4803 0.3863 0.4188 1.9483 0.4051 0.3149 1.3328 0.3300 2.2905 0.5488 0.2005 0.3192 1.6559 0.8075 1.7887 1.1767 0.6885 1.6373 1.7647 1.2355 0.5631 0.6555 2.4372 0.8684 1.1595 1.0988 0.3129 0.7275 1.1474 2.3934 0.6011 0.6533 1.8004 0.6312 0.6866 0.5543 0.6780 1.1364 1.4654 1.3340 0.4455 2.2763 0.5686 0.7814 1.9840 4.1528 1.3509 1.1385 0.1906 0.4470 0.7789 1.9156 1.5225 1.1954 0.7241 1.0030 0.9066 0.5758 0.8030 0.5800 1.5364 1.6328 1.8072 0.4647 0.8563 1.1962 0.5479 0.5240 0.6074 1.4164 2.0993 0.5168 0.9053 0.9568 0.2875 0.6541 0.6407 0.7840 2.6263 1.8776 2.4684 0.6063 0.4834 2.1320 0.6398 0.4532 0.7038 0.8441 1.6296 1.7819 1.5935 0.6182 2.0632 0.7533 0.6890 1.5560 0.4601 0.4103 0.6362 0.6959 4.0108 1.5308 0.5171 1.9342 2.9548 0.3447 0.2415 1.9423 0.5895 0.9997
Ent-cycloechinulin 0.6552 1.2148 0.9272 0.9853 0.5489 1.5450 0.7102 0.8420 1.2998 2.1462 0.3935 1.1554 1.4076 1.9043 1.0498 0.5934 0.6691 0.8471 1.0304 0.8913 1.0159 0.6432 0.8921 0.7164 0.8346 1.0956 2.1717 0.7974 0.6353 1.4987 0.6407 0.3355 1.0291 1.0730 2.5781 0.6160 1.5083 1.4894 1.8557 0.8259 0.4506 3.1555 0.6550 0.8876 0.7159 0.6874 1.3493 0.8212 0.8853 0.9466 1.3833 0.8637 0.9374 0.7697 1.4668 1.2067 1.1499 0.9502 0.3713 0.6322 0.9793 1.7537 1.3032 0.7538 0.4276 1.2262 0.8953 0.9797 0.7118 0.9398 0.7062 0.6917 0.3624 0.8649 0.8604 1.6547 0.7247 1.1398 0.6291 0.8810 0.4033 0.2649 2.8125 2.4893 1.6082 0.8304 2.1511 1.0335 1.6456 1.0072 1.3465 1.1163 1.4110 2.6227 1.2412 1.5219 3.0866 1.3448 0.9583 1.8100 1.5746 1.1737 1.0084 0.6956 1.0311 1.6948 1.3365 1.6581 1.0333 0.7083 1.7115 1.4761 0.4834 0.7996 1.3365 2.5374 1.2256 1.7520 1.2273 0.6850 1.1800 1.7962 1.4242 1.7864 0.2409 1.0803 1.4536 1.6391 1.7894 1.8096 1.0120 0.8736 1.7310 1.0974 0.8276 1.4043 1.2700 1.3117 1.1967 1.2173 1.0772 2.1324 2.2113 1.4400 1.1520 0.9864 0.0312 1.2051
Ethionine 0.5133 3.3867 0.1241 2.4991 0.8291 0.8177 0.2438 2.2550 0.3803 0.9079 1.4779 0.3478 1.2527 1.2888 6.5478 0.2898 2.5709 1.2526 0.6992 0.4162 0.9262 0.3001 0.3741 1.7159 3.2617 1.3211 0.3445 0.7969 3.2558 0.6460 1.1916 4.0794 2.2900 0.3581 3.4138 2.2568 0.4660 2.3073 0.1224 0.4992 0.5715 0.5804 0.8365 1.1525 0.8110 5.3361 0.2042 0.2000 0.4463 0.8444 1.2953 0.4941 0.2584 2.1444 0.7656 0.4179 8.4103 2.8910 0.0672 0.7019 0.8465 3.3024 0.3550 1.9655 0.4734 1.7016 0.6090 0.2714 0.3300 1.5540 0.3334 1.3556 0.4211 0.9908 0.6768 0.4332 0.4608 2.3890 0.6094 3.1971 0.2124 0.5311 1.5149 0.7478 0.4727 3.6341 0.4404 0.2662 0.4608 0.4755 0.6448 0.8338 2.4859 1.9457 0.3618 3.0377 0.5410 0.7908 0.3586 0.3881 0.7076 1.5070 1.2322 1.8623 1.8162 0.2341 0.4290 0.2840 0.9824 0.2151 0.9660 1.3341 1.2733 0.5111 0.4964 2.6872 0.6873 2.2431 0.2204 0.6005 0.5570 0.3744 0.3957 0.6036 0.3061 0.1164 0.9749 0.6433 0.2353 2.0395 0.2308 0.7775 0.6330 0.7730 0.1828 0.9701 0.2909 2.1999 1.1852 1.0053 0.4864 0.2354 0.2642 0.3049 0.2012 2.6214 0.3607 0.3860
Ethyl terephthalate 0.4177 0.4535 1.7636 1.1280 0.0522 0.1052 1.0556 1.3126 0.1351 0.0056 0.8907 0.2116 0.3354 0.0624 0.1759 2.6945 0.1012 0.6175 0.4012 0.5799 0.4788 1.6073 1.5081 0.7354 0.3992 0.0352 0.9154 0.2058 0.5936 0.3944 0.1657 1.0165 1.0758 0.7047 0.1310 0.6949 0.5273 1.1169 2.5264 1.5698 2.1326 1.2816 1.0835 1.5574 0.0318 0.0448 0.3967 0.5750 0.1401 0.0988 5.1879 1.7946 0.8980 0.5535 1.8683 1.5933 0.0587 0.0385 1.9933 0.8067 0.3048 0.2666 0.0353 0.0395 0.3190 0.0589 0.1179 0.2686 3.9596 3.8521 0.1081 0.5723 3.6061 0.5764 0.7571 0.5944 0.3776 0.6365 0.1459 0.7051 0.4125 0.7878 0.0966 0.8093 0.1996 0.1094 4.6167 1.0585 0.4288 0.2167 0.1277 0.0339 0.6284 0.3680 0.2084 0.2518 1.4752 0.8146 2.0804 0.8167 0.6064 0.4024 0.1992 0.5711 2.3854 0.3200 0.4712 0.4446 0.8323 0.4142 0.2850 1.2086 0.2080 1.1267 0.1349 1.0657 0.3325 0.0993 1.2034 2.6646 0.1462 2.6131 0.7232 0.2503 1.2445 0.8882 0.3092 0.4142 0.1225 25.2185 0.5973 1.8989 0.1112 0.1270 2.6108 1.3348 0.4962 13.7971 3.1372 2.0011 0.0976 2.2937 0.3212 1.0968 0.3311 0.8782 0.6125 0.7817
Ethyl Tumonoate A 0.4516 0.9356 0.5679 0.3460 0.4613 0.8205 1.3006 0.9023 0.9875 0.8388 0.7486 0.8923 1.7739 1.9227 1.5629 0.3811 0.8424 0.3796 0.5290 0.5404 0.4461 1.3226 0.8216 0.8334 1.1524 0.3897 0.6644 0.8358 0.6636 0.3673 0.5884 2.2174 1.0752 0.7449 0.7363 0.3913 1.2451 1.3907 0.7088 0.2681 0.5635 0.8629 0.6216 1.0083 1.1952 0.8519 1.1739 0.7508 1.6763 0.6815 1.2206 0.8136 0.8527 1.3798 1.0174 1.0507 1.6795 1.1086 0.2091 0.4931 0.3588 0.3223 0.5851 1.5580 0.4106 1.1642 0.6135 0.5247 0.7459 0.9160 1.1888 0.6526 0.3198 0.3240 0.7026 0.8145 0.8303 0.9562 0.8983 1.7601 1.7058 1.9271 1.0911 0.6541 0.9167 1.4955 3.2159 1.1191 0.5766 0.5983 1.2920 0.9164 1.5655 1.3712 0.5166 0.8718 3.5660 1.4634 2.2143 2.2026 2.3745 1.8356 2.2022 1.3927 0.9447 0.5323 1.1039 0.7115 0.8394 0.9678 1.3272 1.5297 0.4076 0.3794 0.6106 2.1907 1.8624 0.6001 1.9040 2.0025 0.9910 1.3347 0.8893 0.4535 0.4460 0.5121 3.6407 2.5782 1.5090 1.3991 1.6222 0.9632 2.0973 1.8496 1.5488 1.8765 0.8693 0.7368 1.3990 1.7806 1.2302 1.0182 1.8668 0.6649 1.8316 1.4839 0.7113 0.6225
[FA(16:2)]N-hexadecyl-ethanolamine 0.3513 0.2899 0.3928 0.3819 0.5551 0.6163 0.2374 0.2452 0.4140 0.4664 0.2661 0.3052 0.6867 0.4443 0.4422 0.3591 0.3187 0.2601 0.3611 0.4952 0.1740 0.4472 0.2707 0.3135 0.3929 0.8946 0.3156 0.2979 0.3646 0.4150 0.3329 0.3591 0.2580 0.4546 0.3789 0.2579 0.3837 0.2597 0.4709 0.5610 0.6383 0.5425 0.3286 0.1942 0.4770 0.2472 0.1259 0.3599 0.4205 0.6967 0.7265 0.1319 0.3665 0.3422 0.5453 0.5763 0.2448 0.3431 1.5134 0.4872 0.4090 0.3914 0.2798 0.3978 0.4444 0.9206 0.5505 0.2355 0.1525 0.4103 0.4372 0.4483 0.3421 0.3217 0.4911 0.1643 0.5521 0.3696 0.1764 0.4172 0.1690 1.0260 0.1663 0.4382 0.4505 0.7142 0.1715 0.4246 0.1459 0.3286 0.6283 0.6280 0.1318 0.4384 0.4872 0.4621 0.2205 0.5335 0.1118 0.3605 0.4935 0.5753 0.7096 0.4850 0.6092 0.3137 0.2476 0.3556 0.4917 0.3307 0.9651 0.8132 0.2175 0.2357 0.4240 0.1344 0.2105 1.1874 0.3838 0.2479 0.5136 1.8433 0.5563 0.2167 0.2755 0.1781 0.5057 0.2189 0.3944 0.3141 0.0982 0.1636 0.3211 0.1750 0.5461 0.3310 0.3060 0.3431 0.1582 1.1256 0.4509 0.1037 0.1734 0.2647 0.4210 0.3513 5.6299 0.6208
FAHFA (18:2/15-O-18:2) 0.5175 0.3876 1.6637 0.8428 1.1526 0.6528 0.4459 0.4359 0.8436 0.2733 0.8136 1.7319 0.3667 3.4987 0.8436 0.8719 0.3548 1.3552 0.6260 1.0519 0.3400 0.7008 1.0258 2.2333 0.9284 2.6150 1.6819 1.5621 0.7641 1.7330 1.5576 0.9384 2.3943 1.7829 2.8052 0.6845 1.9904 1.0572 1.3288 0.8872 0.4703 1.4772 0.1798 0.3232 1.5607 0.7720 2.2187 0.4317 0.3753 0.4400 1.3849 0.6387 1.6686 1.0932 0.6887 1.3183 2.4853 0.8578 0.7949 0.6728 2.1403 0.7923 1.2985 1.0051 0.4863 0.6604 1.2229 2.1203 1.0454 0.8030 1.5129 0.6193 0.8389 0.7156 1.0000 0.5084 2.0033 0.9940 0.6315 1.7719 0.5732 0.6383 2.1855 3.0090 1.1776 0.9417 0.3008 0.6003 0.3195 1.7120 1.3778 1.0220 0.6151 1.0435 0.5968 0.5209 0.7473 0.4981 1.3270 1.3339 1.4992 0.7020 0.8773 1.0546 0.5139 0.8204 0.3732 1.1556 1.4008 0.5559 0.8699 0.7032 0.1412 0.7897 0.6143 0.7525 2.1368 1.6129 2.3223 0.5437 0.5907 1.6303 0.5448 0.8344 0.6318 1.1087 1.3891 2.7486 1.1661 0.4634 1.4944 0.2085 0.3007 1.3548 0.5749 0.6282 0.5423 0.7575 3.5892 1.6185 0.7408 2.0231 2.6769 0.3396 0.1223 1.6902 0.7247 0.9043
[FAoxo_amino(6:0)]3-oxo-5S-amino-hexanoicacid 0.7885 0.0503 0.0947 0.5357 0.0620 4.0583 0.0237 0.2096 0.4012 0.0479 0.4403 0.1071 0.3075 0.0290 0.0189 0.8497 0.0080 1.8469 0.3582 0.2618 0.1094 0.0273 8.1873 0.7745 0.3047 0.0222 0.3589 0.2608 0.0269 0.3707 0.9333 0.0282 0.1056 0.7334 0.5904 1.0454 0.3157 17.5442 0.5165 1.4265 0.1939 0.2055 2.4357 1.9239 0.0415 0.3471 0.0828 0.6205 0.1711 0.4374 0.4770 2.1698 0.2822 0.1917 7.9946 0.4470 5.8868 0.2028 0.1019 0.2057 0.1584 0.0930 0.0980 0.4080 0.1204 0.1166 0.2473 5.3619 0.4755 0.3670 0.2468 1.0481 0.7340 0.0880 0.0737 1.4334 0.1397 0.4926 2.6855 5.1188 0.0194 0.3015 0.3548 1.0912 0.2714 8.9963 0.1193 0.3114 0.5618 0.1310 2.3643 0.1293 0.1603 0.4905 0.6122 0.2552 0.1586 0.0525 0.1077 0.3619 0.1297 0.1585 1.5294 0.1367 0.7775 0.0507 0.7747 0.1220 0.3676 2.1374 0.3295 0.0720 5.1586 0.6213 2.9693 1.0831 0.5193 0.3804 0.4320 0.0328 0.2888 0.0944 2.2947 2.4793 0.3575 0.2659 0.3411 0.3261 0.0165 1.2658 0.1761 1.7944 0.0787 0.1789 0.3289 1.2923 0.0251 0.3540 0.0439 0.3177 0.4598 0.3516 0.3758 0.1762 3.9194 9.3952 1.1296 1.7906
Fenuron 2.7298 0.6771 0.9130 0.2472 0.8439 1.2415 0.5866 0.8480 0.5125 0.3157 0.3060 0.6923 0.5302 1.0914 1.1232 0.3153 0.5019 1.1579 0.7113 1.0778 1.1572 0.7394 1.3253 0.3617 0.8181 0.2349 0.5118 0.8839 1.9635 0.6312 1.6406 1.1765 0.2866 0.8349 0.6066 0.8151 0.4258 0.8104 2.3957 0.5421 1.5612 1.4724 0.8940 0.8669 0.5476 0.3541 2.5168 2.1182 0.4752 1.7905 2.2341 2.9511 0.6751 1.2721 0.6224 1.2059 0.8922 0.4581 1.1332 0.2208 0.9849 0.7943 1.0700 0.2617 1.4831 2.1618 0.7612 1.7089 0.4186 0.3565 1.0062 0.6099 0.4891 0.2931 0.4926 2.3548 0.7379 1.3878 0.5800 1.7887 2.9547 1.5256 1.2429 1.1960 0.2024 0.3692 0.5765 0.5884 0.6072 1.0938 0.9696 0.5622 0.9147 0.8228 1.0836 1.4169 0.6743 0.7843 0.6398 1.2128 1.8419 0.8308 2.3136 0.7264 1.7867 0.4724 2.2288 0.8530 0.7868 1.5814 0.9110 0.5159 0.5764 0.8746 1.0367 1.0314 1.4009 1.8993 1.1726 0.7945 1.7036 0.6471 0.7302 0.7348 0.3081 1.4433 0.4940 0.9144 0.3343 1.5436 0.6279 0.4318 0.8549 1.2812 0.4873 1.4453 0.4873 0.4105 1.3894 0.9325 1.0549 1.2561 1.6190 0.8054 1.2905 1.4874 1.3322 1.1989
Gabapentin 0.0259 0.0090 0.0160 0.0224 0.0051 0.0190 0.0062 0.0195 0.0241 0.0175 0.0059 0.0165 0.0074 0.0153 0.0161 0.0057 0.0190 76.5576 25.6403 0.0083 0.0204 0.0331 0.0172 0.0216 0.0199 0.0052 0.0307 0.0220 0.0143 0.0050 0.0058 0.0220 0.1166 0.0089 0.0035 0.0064 0.0259 0.0140 0.0237 0.0183 0.0387 0.0277 0.0156 0.0042 0.0185 0.0061 0.0176 0.0094 0.0189 0.0147 0.0064 0.0269 0.0179 0.0063 0.0133 0.0092 0.0267 0.0153 12.0371 0.0193 0.0132 0.0158 0.0168 0.0098 0.0041 0.0140 0.0138 0.0437 0.0055 0.0053 0.0148 0.0079 0.0094 0.0142 0.0147 2.7382 0.0228 0.0149 0.0097 0.0079 0.0061 0.0168 0.0034 0.0196 0.0086 0.0042 0.0120 0.0056 0.0046 0.0111 0.0045 0.0115 0.0184 0.0229 0.0031 0.0179 0.0041 0.0034 0.0118 0.0072 0.0343 0.0222 0.0154 0.0218 0.0294 0.0051 0.0145 0.0159 0.0064 0.0025 0.0105 0.0040 0.0674 0.0159 0.0077 0.0035 0.0166 0.0394 0.0040 0.0035 36.1593 0.0111 0.0175 0.0159 0.0109 0.0053 0.0091 0.0193 0.0127 0.0061 0.0153 0.0190 0.0186 0.0063 0.0266 0.0205 0.0165 0.0149 0.0212 0.0190 0.0036 0.0146 0.0030 0.0178 0.0157 0.0383 1.0054 0.2806
Gaburedin B 0.5941 0.2322 0.2730 0.2048 0.1735 7.1054 0.1441 3.0084 0.2264 1.3628 0.1712 0.2143 0.2635 0.2592 0.1788 0.2865 0.1586 0.2532 0.2195 0.3147 0.1848 0.1490 0.1873 0.1801 0.1584 0.1512 0.4943 0.4557 0.1646 0.2717 0.2231 0.3698 0.4123 0.3490 0.7773 0.2461 0.7037 0.3384 0.4909 0.3260 0.5620 0.2614 0.1882 0.1920 0.3585 0.2942 5.1037 0.6371 0.4152 0.2663 0.2117 0.2682 0.3352 0.2482 0.2118 0.6984 0.2212 2.7585 0.5995 0.5942 0.3713 0.3460 0.2898 0.1777 0.1957 4.5360 0.1740 0.2439 0.1884 3.2261 0.3132 0.1442 0.4407 0.1887 0.6201 0.7028 0.2329 5.8842 0.1515 0.1255 0.4672 0.8172 0.5801 0.3006 0.3836 0.1753 4.6689 0.2329 0.1497 0.1538 0.3630 0.1783 0.1753 0.2033 0.4318 0.8265 0.3237 0.2889 0.3749 0.1630 0.2988 0.1359 4.8960 6.5578 0.2783 0.1509 0.3008 0.2817 0.1648 0.1936 0.4546 0.1714 0.1332 0.3747 0.2015 0.2605 0.3368 0.6684 0.2267 0.1693 0.2477 9.9272 0.2343 0.3487 0.2606 0.2966 0.4438 4.7644 0.1441 0.4047 0.5583 0.2442 0.2921 0.3003 0.4429 0.4909 0.2872 0.5587 0.1785 0.1934 0.2442 0.4752 0.1740 0.3161 0.1929 0.6308 3.4488 0.2094
Gly-Pro(Glycylproline) 13.7906 1.1142 2.4661 0.4948 0.6458 0.4947 0.4510 0.4423 0.4524 0.6255 0.4189 0.4120 0.5038 0.4561 0.4511 0.4669 0.4241 0.6304 0.5362 0.5940 0.5132 0.5589 0.4748 0.4911 0.5254 0.6274 0.4886 0.4703 0.5143 0.5989 0.8859 0.5058 0.4998 0.4004 0.9863 0.5211 0.5116 0.5126 1.4179 0.5430 5.1250 3.2263 0.4383 0.4844 0.5815 0.5298 0.4483 0.4782 0.4623 0.4831 0.4517 0.4088 0.6393 0.4228 1.0430 10.6852 0.5293 0.4531 0.5249 0.5161 0.5576 0.4664 0.5825 0.4871 0.5302 0.7548 0.4989 0.4115 12.3379 0.5108 0.4917 0.4422 0.7054 0.5081 0.4929 0.4715 0.5118 0.4589 0.6519 0.4852 0.4835 0.5006 0.5502 0.4751 0.4742 0.4875 0.4811 0.4543 0.6367 1.0225 0.5817 1.7485 0.4845 0.5293 0.4817 0.4763 0.4842 0.5047 0.5162 0.6695 0.5108 0.5038 0.4185 0.5443 0.4635 0.4240 0.4499 0.4750 0.4805 0.5310 0.4702 0.4901 0.4768 0.5183 0.4605 0.4576 0.4276 0.4469 0.9458 0.5308 1.5278 0.4644 0.4409 0.5579 0.4894 0.4378 0.4421 0.4545 0.6199 0.4552 0.4462 0.5063 2.3440 0.4926 0.6117 0.4630 0.8694 0.4613 0.6744 10.1222 2.4660 0.5064 2.5661 1.8127 0.4868 0.3984 1.1560 3.7142
hexahydrophthalic anhydride 0.2231 0.5713 0.3038 0.2402 0.2612 0.3819 1.7407 8.9178 3.9407 0.3121 0.5328 0.2460 0.2044 0.8524 0.2935 0.2160 0.5686 0.2753 0.2359 0.2069 0.1912 0.2561 0.1976 0.8356 0.2265 0.1941 0.2295 0.5093 0.2254 6.0014 0.4176 0.2316 0.2306 0.2258 0.2973 0.2455 1.7305 0.2542 3.3005 0.2332 0.7271 0.2920 0.2814 0.4032 0.2374 0.4556 0.3422 0.3105 0.2560 0.2166 15.3431 0.3790 0.5261 0.4228 4.6360 1.7682 0.2368 0.2210 0.2019 0.2777 0.2710 0.2556 0.2531 0.2471 0.6230 0.5338 0.2476 0.2208 0.2797 0.2630 0.8053 0.2183 2.2755 0.3797 0.2379 0.1927 0.2646 0.2467 0.2201 0.2730 0.2704 0.2146 1.0488 0.3086 0.2073 0.2014 0.2378 0.2312 0.3973 0.8706 0.2533 0.6808 0.8187 0.8308 11.5757 0.4483 0.5218 0.2173 0.3664 0.4662 0.4414 0.7863 0.4825 0.2277 4.8216 0.9490 0.2124 4.6753 0.2086 1.2802 3.7427 0.2572 1.5410 0.2210 1.3011 0.8929 1.0418 0.3123 1.5919 1.1559 0.1972 0.4443 0.5741 0.2515 0.3343 0.2332 2.1758 0.4514 0.2385 0.3070 0.2011 0.2119 2.7816 1.0516 1.0018 1.8692 7.2281 3.2464 1.2633 0.5751 0.7495 0.4826 2.3787 2.2618 5.8738 3.4688 0.6702 0.8936
Hexanoylcarnitine 0.5475 0.9532 0.5015 0.3483 0.7804 0.9727 2.2440 1.1348 1.5075 0.8336 1.9849 1.6121 1.6365 2.5393 0.6184 0.9099 1.4867 1.0264 1.3858 0.3039 0.5069 1.1061 0.9418 1.2980 1.1999 1.0781 1.2213 1.5489 1.3850 0.6359 0.9192 2.6669 1.6813 1.0795 2.0947 0.8225 1.9599 2.3452 2.2741 0.9657 1.3198 1.8582 1.3299 1.3934 1.2347 0.8813 1.4309 0.7699 1.3903 0.3295 2.0061 2.2335 0.7297 1.1030 2.7829 2.3546 1.4670 1.1018 0.7139 1.1536 0.7417 0.5192 1.3571 4.6056 0.8634 0.5376 0.7421 1.0850 1.4145 0.9074 2.5856 1.8427 1.2657 0.7541 1.9101 0.4206 1.3375 1.7098 0.8162 1.3379 1.4751 1.7301 0.5280 0.1677 0.5956 1.0604 1.5276 1.3734 0.8371 0.4759 1.7413 1.3061 1.1284 0.7447 0.5331 0.6448 2.6901 1.6914 0.5596 1.2836 0.9085 0.9717 2.3391 0.6965 1.0484 1.3583 2.6640 0.5832 1.3722 1.0288 0.6780 1.1023 1.1305 0.9954 0.7164 0.4342 1.9882 0.3931 0.7709 1.0636 1.4771 0.8639 0.7560 0.5397 0.9424 0.1436 2.5945 1.0131 0.7407 0.9357 1.6705 1.3006 1.6058 0.4204 0.5685 0.6656 0.3696 0.3910 1.5607 0.3876 0.7095 0.2921 0.5999 0.3786 0.4975 0.4310 0.1732 0.4596
Hippuric Acid 0.5327 1.8366 0.2671 0.3516 0.3753 0.3983 0.3259 0.8605 0.2364 0.1533 1.1489 0.3564 1.3547 0.1147 0.6937 0.2347 0.6987 1.0689 0.2655 0.2432 0.3816 0.4722 1.4835 0.5791 0.6625 0.1216 0.1949 0.4223 2.3990 0.6851 1.4141 0.6331 0.2560 0.8111 0.2923 0.4726 0.6780 0.8921 3.6165 1.9405 1.4973 1.7254 1.3420 2.2742 0.3534 0.3418 0.4282 0.7295 0.3741 0.2523 1.3009 2.4368 0.1524 0.3544 0.8449 0.4488 0.3026 0.5960 1.6720 0.5681 0.8065 1.3175 0.6398 0.0819 1.1725 0.2234 2.7647 0.9566 1.7199 0.5259 1.2115 0.5538 6.0135 0.6455 0.1775 0.3784 1.3412 0.7100 0.1791 0.5547 2.2955 2.2378 0.3533 1.4559 1.0097 0.3459 0.2270 0.8060 0.7058 1.1409 0.1169 0.6699 0.3098 0.5693 0.2172 0.8637 0.5256 0.3348 0.3028 1.4376 0.7824 0.2037 0.4917 0.8059 0.8897 0.5421 9.3136 0.2165 0.4224 2.3076 0.6507 0.2451 0.8739 0.1211 0.9756 4.6304 2.4586 0.8942 0.3545 0.9578 0.9171 2.3460 2.6859 0.9935 0.1049 4.6995 0.0935 0.2666 0.0732 0.3641 0.4364 1.2324 0.4348 6.0810 0.5289 0.9861 1.3132 2.7240 0.9163 0.7990 0.4803 0.6207 0.2964 2.6964 0.1669 1.5864 1.3031 0.8568
Histamine 1.3556 0.6644 0.9780 0.3950 0.4196 0.9248 1.0673 0.8018 1.1534 1.1545 0.8965 0.1615 0.6379 0.9436 1.0365 0.9125 0.4515 1.0477 0.9885 1.3175 1.2773 0.8790 0.0926 0.7242 0.8463 0.8855 0.9741 0.8182 0.3086 1.1843 0.6698 0.8890 0.7424 0.8330 0.8121 0.6482 0.9671 0.7117 1.0474 1.1619 1.2126 0.6660 1.0611 0.8915 0.9852 0.8911 1.2316 1.1637 1.1729 1.1633 0.9985 0.6457 1.0862 1.1050 1.3493 1.4528 0.8791 0.7933 1.3612 1.1173 1.1010 1.0139 1.0286 0.9311 0.6198 0.8839 1.0390 1.0384 1.2238 1.1907 0.8282 1.0117 0.8087 0.3723 0.9038 1.0907 0.8544 0.9303 1.1600 1.1685 0.8040 0.5844 0.5888 0.9619 0.4697 1.0607 1.4368 0.7223 1.0731 0.7050 1.0602 1.1995 1.1664 0.5790 1.2054 1.1827 1.3410 1.1060 1.5939 1.3173 1.3380 0.9300 1.1235 1.3058 1.0792 0.6352 1.4052 1.0197 0.5535 0.6681 1.2426 1.2966 0.5843 1.0296 1.2950 0.8527 0.6900 1.2925 1.4237 0.7054 1.0158 1.7840 1.2920 1.3437 0.7012 1.2010 1.1745 1.0027 1.0808 1.3853 1.6236 1.1365 9.9377 1.5827 1.5623 1.1301 1.6461 1.3039 1.3313 1.4305 1.1475 0.8073 1.9025 1.8139 1.6778 1.2692 0.7904 0.9199
Homoarginine 1.4649 1.2344 0.7613 0.3432 0.7852 1.1596 1.1127 0.5367 0.7010 0.5499 0.7712 0.7571 0.6147 0.8888 0.7999 1.8691 0.8779 1.1290 1.1908 1.0424 0.9265 0.7704 0.9495 1.0325 0.7500 2.3208 1.2570 0.6781 0.5731 1.2417 0.9666 0.4128 1.0618 0.7588 0.8921 1.0710 0.6196 0.4414 0.8902 1.5352 0.7106 0.6269 0.5824 0.5505 1.0797 0.4153 0.8529 0.7939 1.6742 1.2365 0.4816 0.3827 1.3169 0.8527 0.7727 0.7966 1.0704 1.1211 1.8225 1.2214 1.5729 1.3439 1.3726 0.7916 0.4957 0.3624 1.0882 0.8497 1.7310 1.6526 2.9001 1.9298 1.0473 1.3367 1.3617 1.0502 0.9040 0.9869 0.9853 0.5746 0.7174 1.0237 1.8010 0.9214 1.3873 0.9678 2.7209 1.2788 1.7474 1.0024 1.7158 1.7423 1.1494 0.5617 1.4078 1.3428 1.1821 0.9596 1.3111 1.4141 0.8619 0.9255 0.6273 1.1246 0.7758 2.6129 1.8055 1.5966 1.1288 0.7903 0.9936 0.6465 0.5952 0.8255 1.0602 0.7923 1.5642 1.0397 0.8335 0.7092 0.5849 2.2081 0.7866 0.6939 0.9372 1.0207 1.3226 0.9193 1.1372 0.9807 1.3083 0.5338 1.0152 1.3193 2.3686 1.1990 1.5163 2.3568 1.7929 0.6616 0.4866 0.8513 1.5800 0.9622 2.5358 0.5612 0.7353 0.7456
Homocysteine 2.3107 0.7959 0.9691 1.2710 0.7185 0.9279 0.6068 1.4478 1.3695 2.0449 0.8429 0.9942 3.9290 1.9102 1.5031 0.5208 0.9560 1.2390 0.7325 0.4382 0.7304 0.4327 1.7785 0.6439 0.7727 0.4013 0.4720 0.5565 0.5341 0.6750 1.4526 1.3891 0.5057 1.1472 0.7000 1.4974 0.4412 0.7151 3.1397 1.2440 1.8021 0.6419 1.3673 1.2483 0.2857 0.5369 1.0242 1.4494 0.7170 2.6420 1.6629 1.5371 0.7882 0.8448 0.9236 0.5388 0.4852 0.8323 0.8894 0.5944 0.6499 2.7362 0.6288 1.4293 1.1496 1.0044 0.6293 0.5101 1.0045 0.6148 0.7751 0.8803 0.6101 0.7768 0.4690 0.7905 1.5723 2.1556 2.3445 0.8648 0.5701 1.5527 1.0706 0.7382 0.4876 0.9828 1.2820 1.0773 0.9350 1.2415 0.4535 1.2077 3.7791 0.5034 1.3168 2.5503 1.1175 0.7439 0.5595 1.0829 0.8009 1.1814 1.3404 0.8163 1.2110 1.1897 1.2401 0.6900 1.3061 0.5823 0.8938 0.6995 1.9373 0.4155 0.5745 1.4244 0.3479 0.7466 0.9077 0.3981 1.6310 0.9047 0.6541 3.0458 1.8158 1.3474 0.7970 0.6157 1.3740 0.9048 3.2729 1.4654 0.9689 0.4179 0.7891 1.4401 0.6900 1.2935 0.3739 0.9799 0.3596 0.7667 0.5322 3.3081 0.9688 0.9086 0.6398 1.1851
Hypoglycin A 1.0348 0.7374 0.6482 0.3896 0.4320 2.1324 0.2280 0.4085 0.6448 2.0925 0.2537 0.1463 0.0873 0.3941 0.1088 0.6531 0.6524 0.2583 0.2539 0.5566 0.5274 2.9039 1.8681 0.9178 0.4072 0.1152 0.3579 2.9305 3.7357 0.5427 0.3686 0.1750 0.0731 0.0688 0.1192 0.0618 0.2544 0.1019 0.7845 0.4585 1.1473 2.1292 1.8993 2.6502 3.4674 2.3328 0.0811 0.2028 0.1278 0.1252 0.6173 0.5177 0.3290 0.2187 0.3144 0.4371 0.5392 0.4759 0.0981 0.0837 1.8829 1.4147 0.0807 0.1772 2.2667 2.8576 0.7411 0.8124 0.3618 0.0722 0.7488 1.0116 0.1058 0.4416 0.3670 0.2194 0.4429 0.2974 0.4985 0.5393 0.0764 0.0923 0.1200 1.3058 0.1102 0.6440 0.0952 0.5282 0.9721 0.2067 0.0965 0.0877 0.9072 0.9635 3.6302 2.4813 0.0986 0.1859 1.8051 1.2207 0.2643 1.9580 1.8459 0.1063 0.4368 2.0885 2.3287 0.6739 0.0702 1.1666 0.5648 0.9027 0.1363 0.3987 1.7395 1.0089 0.0876 1.3386 0.8862 3.2091 0.1430 0.3112 1.7202 8.6759 0.0997 2.6694 0.2554 1.3909 0.1780 2.0289 0.0846 0.4736 0.6032 3.5930 0.0954 2.4880 3.7091 2.5363 0.6317 9.9054 0.5664 1.5307 4.5959 2.1796 5.5727 2.0704 0.7526 1.8068
Hypoxanthine 0.0485 0.0992 0.1253 0.4593 0.7638 2.2357 1.5202 0.3906 0.5284 0.8094 0.0637 0.7355 3.3625 0.3746 2.0136 0.5506 0.1988 3.7833 3.1035 0.3164 0.4153 0.3147 0.2870 0.7183 0.4667 0.0550 0.1769 0.0644 0.3878 0.2145 3.0830 1.7496 0.4156 0.9842 0.9513 1.4912 0.2202 1.6779 0.0601 1.7525 0.0347 0.1419 0.8325 0.3173 0.8398 0.0844 0.4780 0.3691 1.3840 0.1240 1.9659 0.0683 1.2204 2.3782 2.2704 3.1573 0.1867 0.6556 0.3412 0.1387 0.2970 7.6512 0.6205 3.2629 1.3357 1.0608 1.6314 0.1179 0.8838 1.2944 0.1961 1.3308 0.2620 1.3873 0.1851 2.4374 5.0545 0.8047 0.5117 0.7418 0.2065 2.7604 0.6172 5.7324 2.7503 0.8529 0.1640 3.3449 2.4936 0.2373 0.6229 0.1989 0.5880 1.3183 0.9712 7.7411 1.1209 4.6655 0.3443 1.8358 2.1680 1.2973 3.0559 0.8083 1.5687 0.6999 1.2200 0.2614 0.5192 4.9476 0.1252 2.5724 0.5050 0.0703 1.5951 0.9665 1.0673 1.1711 0.2178 0.1801 0.4342 0.7689 1.5246 1.0212 1.9968 3.0568 0.8241 0.1090 1.3729 0.5016 0.2462 0.1176 0.1544 1.4270 2.4617 1.2796 0.1971 2.7339 0.6257 0.5253 0.2037 1.0161 0.4138 1.6704 0.9132 0.2342 0.0746 0.0241
ImDKP 0.8846 0.8415 1.0025 1.2650 1.2302 0.9770 0.4360 0.8310 1.2135 0.7806 1.9390 1.0264 1.6583 1.4023 0.8201 0.9428 0.9999 2.6817 2.0522 0.4122 0.8848 0.7577 1.1836 1.1386 0.5199 0.9747 0.9116 1.7434 1.4751 0.8666 0.7327 1.4071 1.1836 0.7007 1.6018 1.0493 1.9281 1.9251 1.5087 1.3154 1.3368 1.1788 1.1081 1.3096 1.4617 1.2903 1.0340 1.3237 0.8269 0.9425 1.3780 1.3629 1.2960 1.5242 1.7367 1.4897 1.1053 1.2892 0.5464 1.6643 1.0873 2.4622 1.2595 1.3508 1.6449 1.9590 1.0790 1.0499 0.8449 0.7832 1.2666 1.6990 1.1171 0.7235 1.3619 1.4325 1.6777 1.3241 0.8440 0.8183 0.9008 1.4300 0.2887 0.9000 0.6867 0.8383 1.1189 0.9449 0.9366 0.5880 0.6335 0.9113 1.0623 0.8016 0.8707 1.5420 0.5602 0.8716 0.5057 0.5079 0.5387 0.9138 1.0517 0.6723 1.4999 0.5416 0.8334 1.1316 0.8729 0.8616 0.5467 0.7377 1.0732 1.4613 0.6910 0.9458 1.0417 1.0518 0.8665 0.6311 0.6627 1.5517 1.1097 0.2915 1.4561 0.7284 0.9482 0.8175 1.0086 0.9878 0.2989 0.8699 1.1907 0.6496 1.0014 0.8746 0.8495 1.7544 0.9671 0.6159 1.2917 0.8291 0.3482 1.1070 0.4597 0.8523 0.8598 1.1049
Imidazol-5-yl-pyruvate 1.1050 1.1124 1.1787 0.9278 0.9418 1.1338 0.7382 0.7717 0.8775 1.3439 1.4486 0.8225 1.1739 1.0155 1.0400 1.1419 1.2875 2.0497 1.6747 0.9755 1.1479 0.9379 1.1400 0.8872 0.7574 0.7053 0.9959 1.5627 1.7823 1.1676 1.3092 1.8726 0.9720 0.8408 1.8712 1.0078 1.5485 1.1889 1.5703 1.2318 1.8038 1.5317 1.1205 1.1921 1.5559 1.5491 0.7931 0.8879 1.2393 1.1394 1.7339 1.7596 0.9009 1.1181 2.1764 2.0525 1.3246 1.2105 0.9151 1.6654 0.9828 1.1795 0.8850 1.0508 1.1417 1.2470 0.9728 0.9089 0.8311 0.9454 1.0725 1.0517 1.4922 0.8778 1.1771 1.1710 1.3084 1.4284 1.0201 1.0708 0.5630 0.9402 0.6278 1.3232 0.5096 1.0276 0.6825 0.8615 0.8887 0.9514 0.6563 0.9062 0.9803 1.0693 1.0011 1.2810 0.4434 0.8204 0.9372 0.9214 0.9856 1.2736 1.1642 0.9158 0.5914 0.6035 0.3441 0.9662 1.0538 0.8012 0.8828 1.0440 1.0746 1.2825 1.0893 0.8449 1.2787 1.4349 1.0429 0.7555 0.6385 1.0653 1.0111 1.0761 1.1950 0.9958 1.0229 0.9401 0.6046 1.2223 0.7137 0.8119 0.6991 1.0559 0.7486 0.9237 1.0972 1.0528 0.9832 0.8725 1.1528 1.1682 1.3841 1.0290 0.9469 0.9367 0.7448 0.8428
Imiprothrin 0.4488 0.7403 0.7859 0.5752 0.3625 1.8939 1.4018 0.6045 1.0169 0.8931 1.0594 0.3737 2.1610 0.5190 0.1341 1.1139 0.5202 0.1562 0.3778 0.7878 0.3699 1.6163 0.9754 0.3045 1.3480 0.6135 0.7911 0.3646 0.5801 0.9317 0.4672 1.5975 0.1528 0.4761 0.8281 0.7176 0.4255 0.3573 0.4663 0.9742 1.0929 1.7316 0.3618 0.5511 0.6508 0.6413 0.2598 0.1044 1.0861 0.5539 1.9518 3.4797 0.6768 2.4955 1.0699 0.7073 0.4777 1.5202 0.4375 0.2037 0.5936 0.7215 0.7815 0.8202 0.4126 0.2780 0.4701 0.9978 1.3775 0.4245 1.3106 1.2524 1.0077 2.0775 1.8030 1.1287 0.4854 0.5419 0.3983 0.5815 0.5610 1.6752 0.9946 1.6760 5.5783 0.6993 2.1227 1.1439 2.2462 0.8969 1.0055 1.2314 0.3033 0.4596 0.6954 0.6222 0.4543 0.6880 0.3061 0.4121 0.4378 1.0848 0.5300 0.1150 0.1608 1.5831 1.1829 0.3372 1.0306 0.7415 0.8545 0.3898 0.4346 0.7832 0.3080 0.1102 0.3795 2.7241 1.1538 0.6213 0.2575 1.9270 1.2179 1.1284 1.5813 0.9846 0.7854 0.0934 0.2822 1.3215 2.3907 0.9880 0.7417 0.6460 5.9870 0.7125 1.4265 0.3826 7.0479 0.5138 0.8218 0.2933 0.2926 1.7410 0.4794 0.0822 1.5932 1.5231
Indole1 0.9805 0.8118 1.0128 0.5784 0.9053 1.2891 1.1665 0.7679 1.0192 0.9180 0.8321 0.8158 0.8446 1.0300 0.7142 1.7160 0.8100 0.5317 0.9194 1.1495 1.4109 1.1776 1.2429 0.9867 0.8696 1.1842 1.3390 0.9927 0.9417 1.4126 1.0520 0.8007 1.0870 0.7056 0.8817 0.6230 1.1505 0.8442 0.8900 0.9297 0.9035 0.7450 1.1241 1.1353 1.2259 0.9004 1.0064 1.2118 1.5120 1.1592 0.8666 0.9189 1.3808 0.9874 1.2115 1.2501 0.7910 0.5554 1.2784 1.1773 1.0480 0.8873 1.0338 0.8903 0.9556 1.0598 1.1567 1.0495 1.0961 1.1899 1.0638 0.8773 1.5080 0.8058 1.0016 1.4719 1.2503 1.0129 1.2175 1.2116 1.1087 0.9995 1.1829 1.5608 1.2156 0.5570 1.1791 1.1956 0.9953 1.3939 1.0470 1.1598 0.9786 0.8301 1.0702 1.0174 1.1325 0.9586 0.9468 1.1313 1.0632 1.3473 1.0799 1.0868 1.2715 1.2356 1.1885 0.9113 0.9280 1.0948 1.1124 0.7376 0.4208 1.0914 1.0767 1.0643 0.8067 1.1188 0.9729 0.9908 1.2088 1.3884 1.0970 1.2053 1.5223 1.0790 1.1742 0.9657 1.0550 1.2266 1.1165 1.0225 1.1328 1.3590 1.3364 1.3087 1.1995 1.4144 1.0860 1.2279 1.0004 1.3495 1.1824 1.1613 1.2624 1.0912 0.9107 0.8392
Indole2 1.2706 0.8334 1.0388 0.6446 0.9005 0.9902 1.1710 0.6018 1.0331 0.7560 0.9434 0.8328 0.6681 0.9102 0.7220 1.0756 0.7140 1.6998 1.1200 1.2384 1.0098 1.1948 0.9410 1.0123 0.8175 0.8195 1.0676 1.1483 0.9795 1.4685 0.9730 0.9210 0.8079 0.6171 1.1468 0.7172 1.1192 0.7519 1.1433 0.9651 1.1257 1.0681 1.0163 0.8928 1.1508 0.7848 0.9224 0.7889 1.3859 0.9626 1.3593 0.9007 0.9686 0.7877 1.2583 1.2597 0.9412 0.7726 1.6519 0.9804 1.1279 0.7262 0.8150 0.7791 0.9203 0.9390 1.1426 0.9117 0.9417 1.0657 0.9564 0.8312 1.1441 0.6523 0.8698 1.1431 1.0944 0.8708 1.0672 1.0302 1.1269 1.0364 1.2595 1.4968 1.0799 0.6654 0.9503 1.4857 1.0250 1.2810 1.1368 1.0922 1.0640 1.0088 1.0125 1.0344 1.0520 0.9247 1.1766 1.2787 1.1249 1.1595 0.9346 1.1650 1.0431 1.5816 1.2784 1.1956 0.9060 0.8696 0.8536 0.9924 0.5462 0.8134 1.1586 1.2374 1.1639 0.9823 1.1151 1.2959 1.4526 1.4036 1.0720 1.0978 1.1211 0.9395 0.9663 0.9043 0.9658 1.1721 1.0331 1.0194 1.0971 1.2116 1.1872 1.4171 1.3033 1.2034 1.3696 1.2701 1.0407 0.9794 1.0013 1.2892 1.1483 1.2310 1.0706 1.0247
Indole3 0.7805 1.5425 0.5683 0.6484 0.6697 0.6415 0.3541 0.7113 0.6435 0.6698 1.0972 0.4924 1.3371 0.4075 0.5849 0.6732 0.8314 1.1535 0.4405 0.6295 0.6197 0.2451 1.1730 2.9244 0.6372 2.8078 2.5259 0.5726 1.6785 0.7394 1.0190 0.7126 2.6018 1.0994 0.9760 0.4944 0.8220 0.7931 1.7193 1.2496 1.5654 1.4121 0.9700 1.5482 0.7504 2.6027 0.6712 0.6731 0.5726 1.7693 0.6043 1.4636 0.6205 0.6905 1.0522 0.5124 0.1580 0.6065 1.2011 2.4221 0.6909 1.2274 0.6042 0.1470 0.9180 2.2547 1.7671 1.1111 1.3877 0.4212 0.9996 0.8951 2.9664 0.6182 0.7549 0.5844 1.1020 0.5950 1.7708 0.9080 1.0848 1.2048 0.4171 1.1233 0.6504 0.7218 1.5972 0.8741 0.6259 0.9014 0.1921 0.7641 0.1519 0.5734 0.4165 0.6010 0.6527 1.4576 0.2085 0.8525 0.6710 0.1839 0.4896 0.6202 0.6404 0.4809 4.7081 0.7237 2.2781 1.4666 0.8430 0.2701 0.9718 0.6307 0.7096 2.0690 1.4034 0.6951 0.7206 0.6167 0.7143 1.2640 1.2656 0.6390 0.1835 2.0794 0.5486 0.3815 0.3430 0.2191 2.5072 1.1605 0.5959 2.8478 0.6652 1.1736 0.7482 1.5163 0.8592 0.5478 0.4773 0.7642 0.5915 1.6369 0.4002 0.7927 1.3799 0.6490
Indoleacrylicacid1 0.9932 0.8546 1.0309 0.5760 0.8890 1.3069 1.2412 0.8035 1.0612 0.9644 0.8896 0.8397 0.8710 1.0956 0.7348 1.8114 0.8195 0.4945 0.9519 1.2048 1.4032 1.2035 1.2665 1.0558 0.9024 1.2318 1.4226 1.0482 1.0038 1.4586 1.0943 0.8172 1.0810 0.7813 0.9005 0.0010 1.2236 0.8736 0.9102 0.8910 0.0012 0.7392 1.1550 1.1683 1.2920 0.9077 1.0336 1.2961 1.5805 1.2405 0.9026 0.9211 1.3537 1.0541 1.2560 1.3001 0.8118 0.5821 1.3521 1.1742 1.1111 0.9450 1.0266 0.8643 0.9784 1.0973 1.1630 1.0442 1.1641 1.2545 1.0811 0.9122 1.6001 0.8014 1.0432 1.5173 1.2518 1.0143 1.2018 1.2298 1.1658 1.1032 1.2664 1.7032 1.3209 0.5580 1.3408 1.2704 1.0771 1.5577 1.0958 1.1729 1.0533 0.8819 1.1750 1.0848 1.1863 1.0552 0.0020 1.1686 1.1434 1.4365 0.0013 1.1715 1.3422 1.3191 1.2288 0.9727 0.9639 1.1077 1.1940 0.7859 0.4533 1.0492 1.0936 1.1537 0.8685 1.2440 1.0212 1.0619 1.3368 1.5563 1.1837 1.2826 1.5664 0.0025 1.2459 1.0287 0.0014 1.3060 1.2291 1.1317 1.2350 1.3643 1.4503 1.4704 1.3186 1.5091 1.1572 1.3430 0.0010 1.4888 1.2548 1.2618 1.3560 1.1567 0.8863 0.8762
Indoleacrylicacid2 3.8788 1.7922 1.0257 0.1997 0.6265 2.5011 0.3394 0.7672 0.3297 0.2411 1.2031 0.0205 0.0300 1.6125 1.1885 0.4619 0.4415 0.2507 1.0185 0.8904 0.9533 1.3700 6.5246 1.8020 1.2807 0.2037 0.1688 0.2306 0.1606 1.2169 1.2902 0.1199 0.2988 2.7275 0.3506 0.2351 1.0096 2.3957 1.0726 1.0577 0.6615 0.8913 1.0714 2.9967 1.5930 2.1199 0.4097 1.8260 0.4360 0.4824 0.6400 2.2818 1.6683 2.6218 0.4616 0.8175 0.8560 0.1398 0.5964 0.1281 0.4824 0.9249 0.0216 0.0218 0.0858 0.3439 0.0978 3.7147 0.0377 0.4145 0.1686 0.4205 0.2393 0.1618 0.9651 1.0563 0.1486 0.2396 0.3007 2.8589 0.3350 0.1086 0.1863 0.0419 0.2561 0.3735 0.6158 0.8222 1.6944 0.2409 0.4186 0.3049 0.6749 1.2148 4.1696 5.1989 0.2494 0.5046 0.2310 1.1238 0.3771 0.6474 0.6794 0.4389 3.3089 1.8817 3.0221 0.2622 0.2477 4.9683 0.6401 0.3834 0.6860 0.2097 1.4507 1.0953 0.9985 1.2291 0.0702 0.3563 0.3805 0.0601 7.5552 2.3876 0.0554 0.7547 0.6565 2.7193 0.1364 5.2711 0.2824 1.3017 0.2137 1.6311 0.5002 0.5191 0.3772 2.0571 0.6279 0.5410 1.5358 2.6316 0.2540 1.4142 5.2837 5.1013 0.5022 0.6294
Inosine 0.0184 0.0562 0.1076 0.4215 0.7792 2.3652 1.5928 0.3817 0.4963 0.7897 0.0579 0.7361 3.4786 0.3447 1.9478 0.4994 0.1761 3.9213 3.1825 0.2826 0.3931 0.2679 0.2527 0.6599 0.4183 0.0429 0.1642 0.0579 0.3354 0.1818 3.1819 1.8492 0.3917 0.9676 0.9233 1.5364 0.1840 1.7117 0.0468 1.8409 0.0137 0.1090 0.7745 0.2507 0.7957 0.0587 0.4415 0.3343 1.4000 0.0955 2.0250 0.0456 1.1619 2.3642 2.2516 3.1556 0.1442 0.5988 0.2045 0.0894 0.2502 7.8375 0.6218 3.3415 1.3038 1.0136 1.6871 0.0915 0.8546 1.3424 0.1450 1.3207 0.2332 1.4082 0.1543 2.5638 5.2060 0.7893 0.4856 0.7136 0.1746 2.4875 0.5950 5.9804 2.8349 0.8394 0.1446 3.5194 2.6784 0.1773 0.5548 0.1680 0.5551 1.2699 0.9166 8.0286 1.1066 4.8460 0.3022 1.8053 2.1667 1.2196 3.1091 0.7931 1.6412 0.6926 1.2258 0.2184 0.4723 5.1723 0.1012 2.5673 0.4892 0.0525 1.6340 0.9315 1.0880 1.2347 0.2025 0.1490 0.3619 0.7118 1.5190 1.0621 2.0115 3.0715 0.8412 0.0858 1.3916 0.4773 0.2029 0.0954 0.1320 1.5115 2.6277 1.2488 0.1673 2.8622 0.6139 0.4886 0.1867 1.0258 0.4049 1.6819 0.9728 0.2105 0.0546 0.0081
Ipronidazole 0.3187 1.1095 0.8281 0.5763 0.4996 2.8699 0.8028 0.7825 0.5792 0.5237 3.4217 0.9146 1.1676 2.2173 0.8120 1.1420 0.8240 2.0286 1.0467 0.8899 1.0707 1.6095 0.6690 0.3381 0.4697 0.4905 0.4252 1.6909 0.6181 0.8143 0.9166 0.5771 0.5025 0.2680 0.5430 0.4132 0.9419 0.7068 1.4580 1.2684 0.9184 1.3808 2.1458 1.1899 2.4322 0.9621 0.6032 0.7896 0.9272 0.7297 0.9019 0.8193 0.5065 0.6823 4.5950 3.5796 0.5120 0.7552 0.3349 1.5378 2.4830 0.7003 0.3738 0.6923 0.4977 0.9241 1.0217 1.0761 0.6754 0.3554 1.2283 1.1643 2.5726 0.3012 1.2106 0.5411 1.7497 0.6614 0.6990 0.5391 0.4266 0.9605 0.5967 1.1667 1.1201 0.9436 0.8565 1.1515 0.3098 1.1245 0.3389 1.7394 2.3249 0.7498 0.3503 0.5123 0.7979 0.5144 1.2906 1.3309 0.8881 1.6686 0.8558 0.8695 1.6535 0.7039 1.4873 1.2694 1.0898 0.2828 0.4591 0.7736 0.8244 0.7491 0.3604 0.5494 1.1542 2.1675 2.0696 0.3370 0.4021 1.2204 0.6058 1.3752 1.1323 2.9098 0.4311 0.7832 0.5237 2.9952 0.5496 0.8177 0.8685 0.4553 1.2092 4.9937 0.7768 2.1960 0.9910 0.3518 1.7140 1.5344 0.8644 0.7719 0.8538 0.3995 0.9494 0.7687
Isopropalin 0.3841 1.0569 0.3495 1.4744 1.2087 0.9393 0.8794 1.0917 0.2200 0.2524 0.9711 0.3948 0.8491 0.3509 0.3966 0.1922 0.9249 3.5176 1.0005 0.5052 1.2761 1.9183 2.8172 0.0870 0.3835 0.6283 0.6554 0.4853 1.2836 0.9704 1.5827 2.6784 0.4348 1.3025 1.6547 0.7829 1.5976 1.1615 0.7796 1.3756 4.7457 4.8584 1.3294 2.4056 1.2480 1.8044 0.6492 0.7775 0.3151 0.4035 1.0938 3.8731 0.0806 1.2791 2.3320 3.7549 0.4996 3.7177 0.3268 0.7513 2.0438 1.1991 0.5462 0.2629 0.6502 0.4285 0.4014 1.5467 0.7088 0.8314 0.6939 1.0063 0.7393 1.8201 1.0749 1.4248 2.1764 2.1558 0.5866 0.9894 0.7284 0.9589 0.2426 0.4571 1.2124 2.5182 0.4417 0.6406 0.8866 0.9843 0.3215 2.9690 0.2424 0.3829 0.1569 0.5820 0.2453 1.2914 0.2680 0.3225 1.0466 0.3875 1.2807 1.2026 1.5318 0.5655 1.9130 1.0523 1.2976 2.3024 1.6513 1.2537 1.5029 1.3594 2.2485 0.5691 1.9231 1.0786 1.7168 0.3285 1.1909 0.1218 0.9938 1.0796 1.1979 1.0734 0.0535 0.1759 0.0653 1.5198 0.4602 0.3206 0.3043 1.1675 0.4447 0.6493 0.6780 0.9750 1.0275 0.8479 0.6552 0.8425 0.5147 0.1946 0.0821 1.8741 0.7394 1.1157
Isoquinoline 0.9733 0.8368 0.9412 0.2214 0.8373 1.2905 1.2112 0.7326 0.9417 0.9244 0.8491 0.7772 0.7999 1.0346 0.7072 1.6207 0.8309 0.4477 0.8741 1.1239 1.3233 1.1242 0.8061 1.0464 0.8831 1.1097 1.4907 0.9602 0.9199 1.4088 1.0441 0.7973 1.0835 0.3701 0.8366 0.6342 1.2313 0.8222 0.8166 0.9068 0.8783 0.6524 1.0579 0.4839 1.2845 0.9078 1.0469 1.2354 1.4301 1.1275 1.0031 0.8597 1.2972 0.9487 1.2220 1.1603 0.7902 0.4428 1.2710 1.1095 1.0863 1.0326 0.9502 0.7999 0.8137 1.0591 1.0823 1.0965 1.1101 1.2258 0.9563 0.8879 1.2636 0.2844 0.9673 1.4886 1.1482 0.9531 1.1958 1.1713 1.0511 0.9734 1.2069 1.6972 1.3073 0.5206 1.2218 1.2730 0.9667 1.4229 1.0348 1.1685 0.9771 0.7761 1.1635 1.0272 1.0136 1.0018 0.0291 1.1805 1.0587 1.3784 1.0261 1.2027 1.3080 1.3004 1.1290 0.9102 0.9744 1.1116 1.1095 0.7251 0.3695 0.9367 1.0712 1.1431 0.8846 1.0938 0.9569 0.9665 1.1613 1.4556 1.1012 1.3363 1.5694 1.0077 1.0528 0.9496 1.0278 1.2399 1.2040 1.1135 1.1553 1.3473 1.4231 1.3468 1.2346 1.4991 1.0646 1.3379 0.9715 1.3863 1.1947 1.2877 1.2963 1.0312 1.1116 0.8085
L-2-amino-4-pentynoic acid 0.7888 0.0504 0.0948 0.5359 0.0621 4.0599 0.0238 0.2096 0.4013 0.0479 0.4405 0.1072 0.3076 0.0290 0.0190 0.8500 0.0081 1.8476 0.3583 0.2619 0.1094 0.0274 8.1905 0.7748 0.3049 0.0192 0.3591 0.2610 0.0269 0.3709 0.9337 0.0282 0.1056 0.7337 0.5906 1.0458 0.3158 17.5511 0.5167 1.4270 0.1940 0.2056 2.4366 1.9246 0.0203 0.3473 0.0828 0.6208 0.1712 0.4375 0.4772 2.1706 0.2823 0.1918 7.9977 0.4472 5.8891 0.2029 0.1020 0.2058 0.1585 0.0930 0.0980 0.4082 0.1204 0.1167 0.2474 5.3200 0.4757 0.3672 0.2469 1.0485 0.7343 0.0880 0.0738 1.4340 0.1398 0.4928 2.6866 5.1208 0.0194 0.3016 0.3550 1.0917 0.2715 8.9998 0.1194 0.3115 0.5620 0.1310 2.3653 0.1294 0.1604 0.4907 0.6125 0.2553 0.1587 0.0525 0.1077 0.3620 0.1297 0.1585 1.5300 0.1367 0.7778 0.0507 0.7750 0.1221 0.3678 2.1383 0.3296 0.0720 5.1607 0.6215 2.9704 1.0835 0.5195 0.3805 0.4322 0.0328 0.2889 0.0944 2.2956 2.4803 0.3576 0.2660 0.3413 0.3262 0.0165 1.2663 0.1762 1.7951 0.0787 0.1790 0.3290 1.2928 0.0253 0.3542 0.0439 0.3178 0.4600 0.3518 0.3760 0.1762 3.9209 9.3989 1.1301 1.7913
L(+)-Citrulline 0.9847 1.0630 0.8568 0.7020 0.4793 1.1684 0.9383 0.7504 0.8625 0.6244 0.9122 0.5169 0.9185 0.6988 0.7378 1.0068 0.7965 0.7610 1.6474 0.7596 1.0701 0.7337 1.1466 1.0150 0.8261 0.5902 0.7440 1.0561 0.8999 1.5188 1.6523 1.0843 0.5685 0.9133 0.4893 1.1262 1.3025 1.2124 0.9278 1.6334 0.9273 1.1897 1.1224 1.3467 0.8822 0.7415 0.9769 1.2555 0.8303 0.9213 1.1687 1.8034 0.5533 0.6917 1.4627 1.7096 0.7832 0.8010 0.9082 1.3598 0.9731 1.6239 0.6396 0.5848 0.5853 1.0958 0.9245 0.9773 1.4643 1.1414 0.8642 0.7274 0.7344 0.8231 1.1589 1.6342 1.2840 1.2469 1.0424 1.3844 0.9317 1.2692 0.8536 2.7216 1.0885 0.9255 1.0934 0.8980 1.3876 1.0506 0.5550 1.0007 0.9812 0.8401 1.1180 1.6304 1.0574 0.9207 1.0281 0.8062 0.9050 0.8060 0.7527 0.8932 1.6063 1.4126 1.5753 0.9388 0.8562 1.1579 1.8200 0.8128 0.6220 0.9034 1.3331 1.2119 0.9730 2.4318 1.5721 0.5923 1.1752 1.3190 1.1757 1.0675 0.8376 0.9910 1.0017 0.7555 0.8517 2.3231 1.3832 1.0806 1.0652 1.1139 1.3113 1.2915 1.2423 1.3763 0.9680 1.2953 1.4073 1.2919 1.2351 1.8864 1.4334 1.2694 0.8047 1.1672
L-Cystine 0.4224 0.8794 0.9270 0.1787 0.4490 0.9709 0.8068 2.3362 1.0667 0.8203 0.8187 0.2575 1.1906 0.7919 1.3826 0.7659 1.7956 1.7361 0.7595 0.6663 0.2556 0.5101 0.1929 1.0812 0.4327 1.6136 0.3956 2.1853 1.7682 0.8792 3.2633 2.6179 0.3941 0.8439 1.4773 0.5513 0.9453 0.3548 0.7866 1.7900 0.9904 0.3820 1.4308 0.5529 0.8028 0.6938 2.4265 3.5343 1.1458 0.8519 1.1427 2.4684 0.3058 0.9174 2.3095 1.9615 0.7907 0.6846 1.6590 0.0877 0.6525 0.4505 1.5016 0.5515 0.7167 1.0731 1.0648 1.0748 0.8447 0.8942 0.4416 0.5661 1.0359 0.8005 0.8427 0.8314 0.9892 2.9469 1.0699 1.3141 0.8573 1.3559 1.0889 1.0439 0.8619 1.1014 0.5772 1.1539 0.8562 1.8594 0.6492 1.0424 0.4913 1.9351 0.7985 0.8977 1.3060 1.0270 0.9709 0.8167 0.8251 1.3683 1.1104 0.9583 1.1218 1.4286 1.9180 1.0237 0.5301 1.3951 1.8222 0.7171 2.0926 0.7376 1.4173 0.8780 1.3529 0.9176 1.0414 0.4486 0.5197 1.0761 0.9570 0.6884 1.1852 1.6392 1.0755 0.8028 0.6297 1.4116 0.8978 0.5462 0.8089 0.8209 0.9839 0.6198 1.0800 0.8802 0.8983 1.0685 0.9918 2.1428 0.7460 0.7995 0.8356 0.7700 0.8202 0.6379
Leu-Pro 0.9232 1.2177 0.7870 0.8637 0.6177 1.0190 0.9867 1.0140 0.8428 1.0092 1.0343 0.7765 1.4092 0.9127 1.2779 0.8500 1.1180 1.1368 1.1723 0.9622 1.1582 0.9174 0.8054 0.9425 0.7763 0.5652 0.7651 1.2487 1.4740 1.2535 1.3616 1.6121 0.6837 0.6319 3.2606 0.7562 1.1593 1.1122 1.2677 1.0347 1.2680 1.2090 1.1731 1.0146 1.4487 1.2686 0.8145 0.8680 1.6658 1.2093 1.1727 0.9054 1.0398 1.3707 1.7515 1.4572 1.2245 1.0831 6.5007 1.3619 0.7763 1.0488 0.8425 1.2986 0.8734 0.9593 0.7737 0.9190 0.6680 0.6861 1.0491 0.9063 1.5262 0.7237 1.0890 0.9547 0.9363 1.0874 0.7920 0.8048 0.7963 0.8396 0.6237 1.2738 1.0039 1.4334 0.8992 0.7782 0.7239 0.8267 0.9723 0.7293 0.8201 0.8199 1.1618 1.2753 1.1461 0.8608 0.7656 0.9960 1.0223 1.1262 0.7757 1.2590 0.9392 1.0464 1.0341 0.8829 0.9287 0.8273 0.7530 0.7932 0.9259 0.8574 1.1279 1.0423 1.1605 1.3723 1.6533 1.3094 0.5208 1.4035 0.9500 1.1933 1.8531 1.4175 1.3452 0.8906 0.6517 1.2914 1.0470 1.0472 0.6520 1.2503 1.4082 1.6622 1.3807 0.9682 1.2130 1.2726 0.9826 1.1823 0.9087 1.0449 1.1354 0.8715 0.7019 0.7953
L-Histidine 1.1616 0.9424 0.8593 0.6374 0.5405 0.8308 0.9958 0.8139 0.9383 1.0525 0.7976 0.5854 0.6364 0.8058 0.9524 0.8935 0.7507 0.8699 0.8420 1.1088 1.0394 0.7539 0.9008 0.8724 0.8049 0.8175 1.0244 0.6976 0.6004 1.1908 0.8762 0.8089 0.6565 0.7248 0.6878 0.6087 0.8634 0.6319 1.0187 0.9224 1.0146 0.9750 0.9354 0.8456 0.8855 0.8254 1.0757 1.0732 1.1251 1.0481 0.8089 0.7675 0.9443 1.0409 1.1655 1.2905 0.7868 0.7807 1.1803 1.0492 0.9830 0.9389 0.9591 0.9227 0.5618 0.8382 0.9667 0.8744 1.0268 1.1513 0.8287 0.8955 0.7557 0.7060 0.7716 0.9873 0.8816 0.8514 1.0214 1.0629 0.9878 1.1688 1.0764 1.5922 1.1131 0.8742 1.3255 0.9823 0.9800 1.1409 0.9247 1.0843 1.0546 1.1002 1.0680 1.1345 1.2310 1.0203 1.4416 1.1912 1.3117 0.8158 1.0871 1.2072 1.0126 1.3475 1.2569 1.0129 0.9916 0.9007 1.1655 1.0359 0.4758 0.9257 1.4185 1.4315 1.1726 1.2484 1.3066 0.8769 1.0222 1.6320 1.2158 1.3309 0.7545 1.2400 1.1307 0.9444 1.0675 1.2708 1.4846 0.9986 8.8014 1.5134 1.4705 1.1378 1.5162 1.2591 1.3275 1.4136 1.0263 1.4274 1.6935 1.6517 1.4828 1.1939 0.8720 0.9489
L-Homocitrulline 1.0849 0.6852 0.6813 0.4645 0.4187 1.0718 0.6445 0.3938 0.6982 1.9663 1.4923 0.5822 0.9997 0.3195 0.3434 0.6992 0.8194 1.7005 1.8969 2.4595 0.7928 0.6886 0.7303 0.4954 0.8646 0.3215 0.9239 0.7775 1.0197 0.8450 0.9304 1.3687 0.8833 4.1903 2.1012 0.6259 3.1375 0.4994 2.0431 1.3550 2.3803 1.2825 0.9462 1.0703 2.4535 1.1120 1.0529 0.6212 0.0261 0.9266 1.6820 1.9429 0.3860 1.3062 1.9780 2.1318 0.8020 0.8611 0.7581 0.7206 0.6259 0.9391 0.1086 0.3509 2.3136 1.1923 0.7937 0.6434 0.8074 0.9215 0.4648 0.6777 1.3977 0.6854 0.8719 0.8692 0.6771 1.0896 0.7850 1.0341 1.2056 0.8612 0.5920 1.4645 0.7978 0.6097 0.2908 1.2922 0.9878 0.6810 0.1566 0.8298 0.9696 1.2554 1.0914 0.8020 0.5078 0.5067 0.5348 0.7160 0.7060 0.9781 0.5144 1.0710 1.1087 1.1956 1.3685 0.5842 0.7472 0.8776 0.7248 0.6460 0.5702 0.4492 1.3332 0.6772 0.6561 0.3625 0.9981 0.4993 1.2352 1.0852 1.9997 3.5076 1.2739 1.5294 0.7861 1.5156 0.5669 1.3027 0.6364 1.3599 0.7272 2.0670 1.0471 1.4798 1.6281 1.9232 2.8755 1.0217 1.3294 1.5222 1.7932 1.5978 3.6377 0.8240 0.7696 1.0500
Linamarin 0.3419 1.1549 1.1729 1.0741 0.7684 1.0931 0.8295 0.6760 0.8463 0.8995 1.4284 0.8448 1.2800 0.5117 1.5089 1.0226 1.2507 1.3901 1.6948 1.0136 1.3718 0.6193 0.8331 0.8203 0.7476 0.4805 0.8903 1.9345 1.9961 1.6489 1.3395 1.5959 0.7726 0.8199 0.9523 0.8546 1.1268 1.1110 1.2229 1.1336 2.8149 1.9402 1.3509 1.3552 2.5723 1.5942 0.9048 1.1014 2.4104 2.3018 1.0185 1.2778 0.9059 1.3094 2.8472 3.1345 1.6377 1.2690 0.2716 1.3576 0.7055 1.1464 0.6817 0.6687 1.2428 1.1877 0.6639 0.8282 0.8504 0.8901 0.8959 0.8954 1.4400 0.8253 1.4529 1.1749 1.3051 1.2696 1.1754 1.0465 0.8597 1.0482 0.7012 1.6737 0.4495 0.8507 0.7441 1.1676 1.1970 0.9742 0.7260 0.7753 1.2973 1.0706 0.8806 1.0286 0.7604 0.8181 0.6571 0.7707 0.7666 1.2979 1.0974 0.8092 0.9577 1.0213 1.1552 0.9048 0.8034 1.0345 0.9219 0.8673 0.7966 1.0460 0.9443 0.7962 1.0272 1.8062 1.0974 1.1042 0.6101 1.2715 1.1650 1.0653 1.5072 0.8350 1.5687 0.5808 0.4917 1.3499 0.5756 1.7373 0.6928 0.9898 0.9433 1.0966 1.0280 1.1688 0.8859 0.9279 1.2899 0.9373 1.0519 1.2798 1.6336 1.2077 0.4857 0.9452
L-Isoleucine1 0.8910 0.7527 1.0087 0.5289 1.1064 1.3357 1.1557 0.6186 1.2311 0.8778 1.2370 0.8419 0.7216 1.2650 1.2399 1.0653 0.7526 1.1235 0.7309 1.1696 0.9478 1.2060 0.9296 0.8821 0.9240 1.4527 1.1397 1.1218 0.9639 1.3187 0.8821 0.6893 0.6557 0.5460 1.5003 0.6591 0.9546 0.6266 1.1304 0.8721 0.9091 0.7142 0.7160 0.7539 1.0426 0.5921 0.9172 0.7121 1.3222 0.9117 0.8146 0.7673 1.0570 0.8900 1.6955 1.2858 0.9763 0.6210 1.2315 1.0532 1.1565 0.8259 1.0315 0.6834 0.7950 0.8253 0.8402 0.7363 0.9357 0.8348 1.1904 0.9349 1.4306 0.5791 0.8813 1.0411 1.2413 0.9108 0.8168 0.9104 0.9441 0.9789 1.6607 1.4161 1.5813 0.8419 1.1195 1.6539 0.8770 1.6091 1.2399 1.0830 1.2455 0.8320 1.0404 1.2419 1.0933 0.7035 0.9551 1.2555 1.0156 1.4833 0.9623 1.0850 0.8389 1.5346 1.2892 1.1391 0.7994 0.7616 1.0288 0.8934 0.6796 0.7893 1.0960 1.1732 0.9180 1.4236 1.1850 1.1100 1.9591 1.8044 1.1574 1.0179 1.2765 1.2122 1.2754 1.1023 0.9145 1.2618 1.1063 0.9455 0.8976 1.1495 1.1293 1.5648 1.4273 1.0631 0.9469 1.1169 0.8952 1.0531 0.9382 1.5647 1.2515 0.9081 1.0876 1.0047
L-Isoleucine2 0.7995 0.7228 1.0023 0.7037 1.0897 1.1254 1.0036 0.7743 1.1640 0.9677 1.2283 0.9042 0.9440 1.2825 1.5076 1.1977 0.9063 1.1744 0.8567 1.3083 0.9437 1.1520 0.9348 0.9355 1.0513 1.4883 1.1521 1.0329 0.9983 1.1617 0.8492 0.8562 0.8116 0.7199 1.4444 0.7806 0.9478 0.8268 1.1521 0.9850 0.8612 0.7560 0.7061 0.7961 1.0706 0.6389 1.1649 0.8145 1.2495 1.0462 0.9230 0.7512 1.0868 0.8943 1.3744 1.1894 1.0811 0.8648 1.1420 1.1481 1.1205 1.2263 1.0852 0.7484 0.7912 0.8397 0.8382 0.6059 0.8871 0.8471 1.2517 1.0179 1.4275 0.6256 0.9080 1.0150 1.2252 1.1652 0.8637 0.8195 0.9495 1.0595 1.7327 1.2585 1.5628 0.8849 1.1581 1.5133 0.8697 1.5815 1.3504 1.1843 0.9787 0.7542 1.0754 1.4533 1.0701 0.6534 0.8721 1.3316 0.9181 1.5412 0.9536 0.7955 0.9255 1.3429 1.1937 1.0686 0.8799 0.7598 1.1305 0.8761 1.2014 0.8562 0.9182 1.1047 0.9508 1.3304 1.1735 0.7398 2.1495 1.7101 1.0043 0.9755 1.1423 1.2442 1.1902 0.9070 0.8295 1.0712 1.0646 0.7859 0.8350 0.9861 1.1333 1.4151 1.3695 1.0430 0.9330 1.0118 0.8767 1.0940 0.8781 1.4287 1.1213 0.9003 1.0468 1.0533
L-Isoleucine3 0.7761 1.3695 0.9515 0.5000 1.3109 1.5155 1.2161 0.6522 0.4867 1.0098 0.7723 0.5809 1.1332 1.5706 1.2162 0.8772 0.7306 0.6112 0.4649 1.0033 0.8259 1.4068 0.8621 0.4804 0.8480 1.4157 1.0044 1.0381 0.5416 1.6292 0.4028 0.6779 0.8930 0.5548 1.1441 0.5662 1.0843 0.3943 0.9436 0.9831 2.7147 1.1091 1.0574 0.6402 0.9238 0.4201 0.8683 0.6395 1.0943 0.8278 1.0306 0.4206 0.9825 1.1514 1.0754 1.7204 0.6139 0.5254 0.9310 0.7375 0.6590 1.7515 1.0214 0.4632 0.9913 1.0049 1.1196 0.9057 0.9311 1.0291 0.6810 1.3113 1.5339 0.8098 1.5331 1.1918 1.3512 0.9033 1.1246 0.9813 0.7845 0.8415 1.6214 1.8728 1.4655 0.9485 0.8843 1.3330 1.0613 1.0675 1.3921 0.9800 1.2300 0.7001 0.9250 1.1963 0.8957 0.5780 0.4223 0.8115 1.4583 1.3253 1.2759 0.8516 1.0880 1.6662 1.0319 1.1337 0.7512 1.7709 0.8793 1.1434 0.4195 0.8690 0.8536 1.3713 0.7239 2.0526 1.2771 1.3847 1.6357 2.1195 0.9170 1.1945 0.7333 1.0650 1.0597 1.1353 0.7436 1.8169 0.9249 1.3729 0.7389 0.8796 1.1512 0.8330 1.0766 0.8898 1.2713 0.9209 0.7301 0.8452 1.1151 1.4013 1.0191 0.7917 1.1818 0.5210
L-Kynurenine 1.1539 0.8193 1.0289 0.4118 0.9831 1.0125 0.9670 0.4945 1.1018 0.8776 0.9955 0.7695 0.8803 1.3968 1.0640 1.5354 0.9872 0.9505 1.1007 1.2865 0.9759 1.0195 0.8467 1.0462 0.8097 0.5948 1.3296 1.2556 1.1627 1.4577 0.8415 1.3375 0.8027 0.5649 1.1856 0.6368 0.9603 0.6805 1.1539 0.7699 2.2531 1.1924 1.0580 0.8862 1.6824 1.1381 0.8908 1.0904 1.5375 1.1364 2.7142 1.0277 1.0866 0.7308 1.8899 1.6572 0.8910 0.5653 0.9675 1.1342 0.9729 0.6543 0.8450 0.5337 0.7242 0.8600 0.9120 0.6324 1.0846 1.0662 1.0225 1.0054 1.3051 0.6284 0.8294 1.2313 1.8799 1.2348 1.1503 1.1036 1.1515 0.9888 0.8753 1.1021 0.8338 0.7148 1.1709 1.1235 0.6978 1.5439 1.1612 1.1400 0.7882 0.6442 1.1973 1.1520 0.9087 0.8068 0.9369 1.0750 0.9378 1.7869 1.1976 2.6088 1.4966 1.2822 1.2762 0.8409 0.6731 1.0253 1.5392 0.6348 0.4695 0.9843 1.3714 1.5271 0.7431 1.0377 1.3634 1.5591 1.0298 1.5551 1.1713 1.2645 0.9520 1.0968 0.8643 0.7178 0.6631 1.0113 0.7981 0.7075 0.7396 1.4686 1.3011 1.3656 1.6044 1.0369 0.9754 1.1114 1.2395 1.3369 0.8870 2.0175 1.3687 0.8580 0.8098 0.8995
L-Methionine 1.4213 1.1863 0.9801 1.2225 0.9122 1.0644 1.0492 0.9181 0.4820 0.5716 2.2562 0.6811 0.6170 0.9924 0.9210 0.6789 1.2490 0.7891 0.6805 0.6930 0.7692 0.7980 1.4879 0.6719 0.5852 0.6638 0.5533 0.8150 1.0303 1.8707 1.7540 1.0907 0.6020 1.0257 0.6473 0.5062 0.9487 0.8501 0.8610 0.7101 2.5778 2.0720 1.2697 2.0293 1.1215 0.9290 0.6239 0.7301 0.8497 1.4856 1.1161 1.7776 0.3582 0.6323 1.6738 1.5170 0.9141 0.8051 0.4119 0.5298 0.8630 0.8580 0.4519 0.3233 1.2477 1.2099 0.8974 1.1865 0.9124 1.7231 0.6070 0.4148 0.9594 0.8498 0.4821 1.1072 1.6366 0.7796 0.7873 1.3837 1.1088 1.2224 0.9421 1.5573 1.0114 0.8493 0.8778 0.8509 2.3287 1.1705 0.5107 0.7396 1.8437 2.0791 1.1088 0.9226 0.4123 0.4334 1.5804 0.8516 0.4718 1.2159 0.9578 0.9500 1.0076 1.5406 1.4831 0.9014 0.3348 1.4147 1.2191 0.7976 0.8429 0.8330 1.1825 1.8402 0.5777 2.1522 0.8192 0.8666 0.7572 1.2017 1.1554 0.7755 1.2202 1.3467 0.8336 0.9448 0.7309 1.5294 0.9818 0.9549 0.5492 2.2911 0.5067 1.4070 0.8806 2.3244 1.0296 2.0167 1.0197 1.9166 1.5209 5.0565 1.5005 2.1925 0.6528 1.3380
L-Methionine Sulfoxide 1.1889 0.9518 0.7166 0.5248 0.8083 0.7822 0.8520 0.5847 0.7232 1.3003 1.0124 0.4817 0.4935 0.8732 1.0035 2.1183 0.8369 1.2394 0.8068 1.5158 0.8246 0.8425 0.6610 1.2807 1.0716 0.5730 0.6687 0.6011 0.6488 1.3744 0.8785 0.7415 0.6150 0.7270 1.1909 0.7402 0.9496 0.8513 1.1666 0.8731 1.5751 0.8926 1.1075 0.6900 0.9582 0.8563 0.6158 1.1276 1.2980 0.9165 1.1842 0.6786 0.8814 0.7692 0.8899 0.8820 0.7687 0.9806 2.5759 1.8396 0.9520 0.7782 0.7193 0.8717 0.5160 0.6735 0.7785 0.8323 1.1383 0.6820 0.9991 0.9569 0.6760 0.7140 1.3686 0.9742 1.2565 1.2550 0.6287 0.7265 0.7977 1.0154 0.6129 1.2028 0.6198 0.7933 1.1437 0.7137 0.8088 1.2382 2.2820 1.5020 0.6552 0.5592 0.6293 0.8131 0.8487 0.5548 1.0658 1.0187 0.7840 1.2098 0.5413 0.9976 0.9344 1.6025 0.8401 1.1168 1.3906 0.6183 0.8906 1.1975 0.6622 0.6740 0.6666 0.9516 0.7477 0.5893 0.8010 0.6094 1.0253 1.5806 0.7498 0.9287 0.6925 1.0385 0.6816 0.9037 0.7417 0.9882 0.9784 0.6098 0.7510 0.9849 0.9943 1.1988 0.9626 0.9797 1.0072 0.8701 0.7120 0.8608 1.0457 1.6885 0.7830 0.7823 1.8577 1.1591
LMFA08020332 1.0089 0.5495 0.6538 0.2709 1.3125 1.1616 1.1318 0.8663 0.3998 0.4511 0.7219 0.3922 0.7356 0.7095 0.7788 1.1462 0.5405 0.5373 1.3738 0.8919 0.4755 0.8486 0.6878 0.7220 0.6497 0.2626 0.6551 0.8412 0.6450 1.2749 1.0030 1.3291 0.6035 0.4691 0.5316 0.3925 1.4335 1.3654 0.6298 0.3670 1.4029 1.7562 1.6204 2.0764 0.5469 0.6091 0.6799 0.7827 1.0883 0.4733 1.1524 1.2403 0.5376 0.6899 1.4111 2.1520 0.3826 0.6277 0.1837 0.7205 0.5926 0.5059 0.8033 1.2707 0.8941 1.0297 0.4910 0.4574 1.0592 1.3537 0.9512 0.9675 0.8146 0.2692 0.9225 0.9486 0.2305 0.7615 1.1828 1.0298 1.5226 1.6432 0.6601 2.3273 0.6784 0.5930 1.2022 1.1108 0.6960 1.4294 1.0829 0.7453 0.7230 1.0363 0.9208 0.7433 1.4421 1.3748 0.8995 2.8157 2.7318 0.5754 1.0113 1.1071 0.7885 0.8901 1.0840 1.0926 0.7676 0.7341 1.9011 0.9420 0.3060 0.3621 1.7060 2.3915 1.2122 0.5351 1.3811 1.0101 1.8954 1.8559 2.9063 1.4906 0.6652 0.6096 1.0159 0.7861 1.0872 1.0186 1.3846 1.0375 2.7160 1.8931 1.8554 4.8294 1.4618 1.2814 1.1580 1.5112 2.6195 2.0812 0.8887 2.2723 2.4155 1.4473 0.8194 0.7929
LMST01110017 0.6606 0.7998 0.7290 2.1057 1.1703 0.4942 0.9501 0.5586 0.7683 0.3521 1.7537 1.9124 0.4470 1.0424 0.4688 1.5001 0.8760 2.0022 2.0546 0.3242 0.6960 0.5256 0.9322 1.5782 0.7447 0.9101 0.3740 2.1999 0.8869 1.5859 1.6564 1.3468 1.8563 1.1675 1.4863 1.4597 1.1935 2.1420 1.2252 2.2867 1.4204 2.3862 2.4782 3.0966 1.7509 1.0075 0.5989 0.4089 0.5776 0.3483 1.2311 1.5715 1.1722 1.9081 1.3238 1.3660 2.6014 1.8444 0.5430 1.3976 2.0254 0.8952 2.5624 2.1884 2.3210 0.6934 0.9737 2.7089 1.8656 0.4850 1.0018 0.5130 1.0777 2.4663 1.5770 0.3105 1.3479 3.0226 0.6229 0.2824 0.6608 0.4885 0.2827 0.2839 0.1587 0.7089 0.1351 0.2665 0.1178 0.5201 0.5855 0.5291 0.4238 0.5404 0.1368 0.2464 0.1381 0.2483 0.1050 0.0577 0.5760 0.4990 0.5122 0.7256 0.3935 0.1794 0.0850 0.2501 0.7575 0.5629 0.5532 1.1733 1.8694 0.8380 1.1160 0.1082 0.7042 0.2793 0.4872 0.2393 0.2322 0.4417 0.2913 0.4226 0.9770 0.6658 0.6610 1.2157 0.6134 0.2901 0.5332 0.1017 0.1045 0.6453 0.1796 0.0622 0.1845 0.6193 0.5960 0.1001 0.2118 0.1222 0.8639 0.0722 0.1368 0.6128 1.9098 1.4208
L-Octanoylcarnitine 0.2398 0.3730 0.5290 0.5892 0.5985 0.4659 2.3495 1.5970 0.7557 0.7195 0.9689 1.0088 1.5372 1.8409 1.3766 0.6645 1.2927 0.3282 0.8676 0.3606 0.5721 1.0897 1.0544 1.0522 1.1278 0.4751 0.5972 1.1644 0.8010 0.5321 0.9816 2.3906 1.4991 0.7797 1.0918 1.2711 1.7167 2.9565 0.8135 0.7634 0.6653 1.2804 1.5690 2.1261 0.7977 0.8200 1.6790 0.9236 1.4777 0.6573 1.5952 2.0458 0.6540 0.8757 1.3766 1.5438 0.8079 0.8450 0.3092 1.1924 0.4792 0.3056 1.1206 4.7623 0.8676 1.2369 0.6094 0.7876 1.5995 1.0631 2.8517 2.2770 1.0609 0.5794 1.4307 0.8971 0.8150 1.6550 0.9476 1.6894 1.4419 2.0131 0.9781 0.4536 0.7754 0.9749 2.6916 0.9806 0.8281 0.6105 1.8694 1.3417 1.0578 0.8810 0.5536 1.1099 3.1979 1.9389 0.9168 1.7999 2.0874 0.7126 2.1262 0.4928 0.5885 1.3582 3.0820 0.5884 1.2714 0.7384 1.2280 1.5032 0.5799 0.5564 0.6076 0.8754 1.6520 0.6122 0.8734 0.8262 1.0236 1.5330 1.5492 0.4537 0.9620 0.3436 1.8974 0.6821 1.1489 1.0548 2.1627 1.0253 2.6425 1.0342 1.2402 1.2552 0.7741 0.5139 1.7796 0.6408 0.8609 0.4791 0.4095 0.3936 1.0440 0.7241 0.3545 0.5111
Lotaustralin 1.6228 0.7738 1.7138 1.2050 1.2410 0.4146 0.9662 0.7787 0.3238 1.2798 1.0956 0.6259 0.4150 0.3060 0.3137 1.1492 0.8546 1.1680 1.3978 1.8766 1.5872 0.6662 1.1615 0.9607 4.2812 2.7453 0.9505 1.7164 1.1519 2.9811 2.1670 1.2618 0.9563 0.8032 0.4319 0.3290 0.6999 1.1303 1.5915 0.6976 3.0190 1.0940 1.1690 1.4761 1.9294 1.7305 1.2893 1.3006 1.2974 1.8500 0.6891 1.0177 1.4369 0.8643 1.5196 2.0529 0.8607 0.9141 0.9543 2.0416 1.1278 0.2310 0.4554 0.7018 0.3982 1.1189 1.2550 0.9756 1.0067 0.8756 1.3693 0.6458 1.3658 0.6108 0.4966 0.9038 1.5982 1.6542 0.9501 1.0156 1.1234 0.5251 0.4094 0.9526 0.8381 0.5029 0.5989 0.5303 0.4858 0.5572 0.6872 0.9909 0.3165 0.3786 1.1984 0.2940 0.6826 1.0759 0.6269 1.0740 0.9854 0.2634 0.4648 0.6396 1.0279 1.0299 0.6207 0.9016 0.9860 1.0047 0.5278 0.6846 0.5907 1.2644 2.0987 0.4178 1.3998 0.2695 1.1896 0.7120 2.0529 6.1460 1.3417 1.1375 1.9678 1.8905 0.4153 0.5147 0.4550 0.6268 0.4625 0.2779 0.4030 1.8263 1.0881 1.0742 1.8826 1.3670 0.9842 1.3756 0.8642 1.1906 1.0453 1.5781 0.9718 1.1154 0.6356 1.1752
L-Prolyl-L-Leucine 0.1100 0.1078 0.0623 0.8239 0.0383 0.0203 0.0212 0.0206 0.0215 0.0786 0.6148 0.9390 0.0872 0.0181 1.4222 0.9493 0.0210 0.0586 0.0582 0.4768 2.9259 0.0265 0.0302 1.7370 0.2847 0.9273 0.1591 0.0268 0.0752 0.0420 0.1015 0.2738 0.5800 4.0075 0.2242 0.2163 0.8560 1.1745 0.1210 0.0971 5.8727 0.6321 0.1007 0.0652 2.4474 0.0778 0.1699 0.0590 0.5141 0.8255 0.0168 0.0175 1.7723 0.1689 0.0442 0.6787 0.0281 0.0703 0.0337 0.1926 0.0266 0.5205 0.3496 0.0190 0.0210 0.0197 0.6037 0.1440 0.0900 0.5968 0.9426 4.1093 3.9315 0.8168 4.9746 2.1167 0.0964 0.4457 0.0403 1.3311 0.1087 0.0138 0.0150 0.3898 0.5791 0.0190 0.6252 0.0297 2.0362 0.0417 0.2189 0.0220 0.2159 1.9790 0.0193 0.0348 0.0284 0.0816 1.4894 0.2165 0.3247 0.0975 0.0528 5.5833 2.0326 0.0126 0.0158 0.3173 0.0170 0.2398 0.6798 2.8329 0.0181 0.0760 2.6478 3.1612 3.3205 1.0982 0.0976 0.8782 0.0351 10.5293 0.5561 0.0293 0.1456 0.0598 1.2830 2.3057 7.7242 1.8827 0.1151 0.4465 0.0206 2.8660 2.6382 0.2153 5.9536 3.1618 1.0144 2.9418 2.3070 1.0266 2.5208 1.0414 2.6538 1.5138 1.6258 0.9637
L-Tyrosinemethylester 0.9913 1.3030 1.3511 0.9399 0.8560 1.6660 1.0235 0.9208 1.5138 1.0829 1.2900 0.6108 0.7961 2.1504 1.5979 0.7360 1.3008 2.3911 2.5551 1.1085 1.1926 1.0675 1.2786 1.1839 1.1100 0.6621 0.8573 1.6370 1.4023 1.4694 1.3357 1.5401 0.8185 0.7699 0.7701 0.4275 0.8767 0.7356 2.0249 2.0173 1.5034 1.2541 1.3052 1.0763 1.5385 1.0355 0.8811 0.7028 1.0442 0.6586 0.8113 1.1365 0.7751 0.9778 1.6478 1.7706 1.2494 0.8811 0.7191 0.9600 0.9983 0.9272 0.9643 0.7660 1.1725 1.0245 0.8259 1.1155 0.6955 0.5884 0.8770 0.7190 0.7334 1.3348 2.3190 1.7584 1.5302 1.2368 1.5242 1.3865 1.2215 1.3298 1.0407 0.8625 1.0994 1.1849 1.0804 0.9003 1.0063 1.7314 0.9133 0.9308 1.4587 1.0442 1.2926 1.5401 0.8488 0.8165 1.3646 0.7516 1.0391 1.2251 1.3831 1.1065 0.9539 1.8323 1.7770 0.9074 0.7256 1.1698 1.4666 1.0691 1.0048 0.8655 1.1718 0.6300 0.9922 0.9774 0.8431 0.6303 1.0687 1.1046 1.9721 0.9717 0.4167 0.9242 0.6502 0.8762 0.7040 0.9486 0.7036 1.3868 0.4649 0.7407 0.9466 0.6780 0.8071 0.6571 0.5629 0.5595 2.0189 0.6885 1.4044 1.0600 1.2092 0.6126 0.5999 0.8157
Maleamate 1.1357 0.9018 1.0589 0.7002 0.7058 0.9351 1.0954 0.8790 0.9789 0.9756 0.8175 0.9183 1.2882 0.9369 1.0413 1.0120 0.8521 0.8923 0.8803 1.3791 1.2798 0.8127 0.9586 1.1573 0.9107 0.7325 0.8275 0.9099 0.7068 1.5860 1.2607 0.7981 0.8049 0.9158 0.8764 0.7561 0.9736 0.9536 1.2093 1.1099 0.9363 0.7803 1.1614 1.1702 0.9386 0.7530 1.0535 1.1270 1.4711 1.1345 1.0163 0.9151 1.1024 1.0307 1.2023 1.3562 0.8490 0.7562 1.3840 1.1778 1.1266 1.1328 0.8939 0.8317 0.7355 1.0338 1.2192 1.3440 1.4411 1.5779 1.1236 1.3530 0.8376 0.7499 0.8953 1.2012 1.0070 1.2455 1.0320 1.2890 1.1188 1.6972 1.0738 2.3464 1.0414 0.9687 1.3346 1.0753 1.2678 1.4976 1.0954 1.1621 0.9779 1.0077 1.3059 1.4569 1.4660 1.0291 1.7359 1.2533 1.2570 1.0509 1.0142 1.5468 1.3127 1.4456 1.3683 1.0799 1.1593 1.0517 1.1486 1.0280 0.5800 0.9135 1.5259 1.6552 1.3358 1.4040 1.9609 0.9189 0.7897 1.9750 1.2723 1.6677 1.0404 1.5370 1.2102 1.1609 1.3033 1.9758 2.0851 1.2478 1.7145 1.8052 1.5371 1.5937 1.7938 1.5390 1.2686 1.4184 1.1211 1.4884 1.6077 1.9397 1.6117 1.3991 0.0843 1.1122
Malyngamide H 0.1953 1.2318 0.0730 1.8417 0.5399 0.7523 0.1150 0.6195 0.2336 1.1704 0.3381 0.7245 0.3702 0.4927 1.5839 0.6735 0.6983 0.7129 0.4401 0.7023 0.4944 0.4552 0.5610 0.5486 1.2376 1.2955 0.2113 0.3586 1.1285 0.4627 0.6070 2.6960 0.0912 1.5018 3.7136 3.5097 0.4264 1.2402 0.2576 1.0402 7.1080 12.5101 1.1144 0.5948 0.7644 2.1149 0.3350 2.4845 1.4083 1.2324 0.6202 1.2940 0.0969 1.1081 2.1112 4.2131 1.7236 2.9934 0.9673 1.6384 0.4127 3.0928 0.2451 1.2646 0.7544 2.6989 0.8714 1.3368 0.6108 1.3909 0.2411 0.7921 1.2851 0.3926 0.4643 1.7971 0.9773 1.0254 0.6225 0.4825 0.9740 0.6081 0.1825 2.1021 2.0292 2.6937 0.3871 0.2940 0.1892 0.1743 0.5681 2.6216 0.1918 1.0802 0.6045 1.1608 1.3592 2.5067 0.2426 0.6520 0.4395 0.3632 0.4118 0.1946 0.9225 0.6831 0.5343 1.6238 1.3087 0.4145 1.1048 1.0847 0.4501 0.5961 0.2508 2.9291 0.2902 1.5802 0.1829 0.0920 0.5762 0.5754 0.2286 0.8815 2.9810 0.2207 0.2266 0.5359 0.1809 0.5367 0.6764 0.1990 0.6281 1.4566 0.3396 0.6562 0.5595 0.3945 1.2891 0.3009 0.6976 1.8196 0.5450 1.9788 0.8124 0.1925 0.7852 0.9867
Maniwamycin A 0.0742 0.0722 0.1556 0.1827 0.1353 0.9218 0.1060 0.5143 0.1414 0.1141 0.1041 0.1013 0.4446 0.1038 0.1636 0.1472 0.7835 0.1347 0.1216 1.9005 0.4979 0.1267 0.1085 0.1222 0.1362 0.1201 0.5603 0.1222 0.1275 0.1198 0.1280 0.1131 1.7201 0.5221 0.1654 0.1204 1.1735 0.1179 1.4570 0.5659 1.0333 1.9847 0.1399 0.1227 0.1168 0.1363 0.3872 0.1692 0.1159 14.6508 0.1190 0.1156 0.5134 6.6980 0.1383 0.1529 0.1164 0.1093 0.6953 2.7001 0.4316 7.2205 2.8561 1.1662 0.1018 0.4464 0.1101 0.0686 12.3287 0.2735 0.7646 0.4110 1.3733 2.0952 0.1264 0.1367 0.1938 0.1189 0.1360 0.3678 0.7641 0.1209 0.1256 13.1270 0.2211 0.3961 4.8027 0.3914 0.1286 0.4486 0.1292 0.5567 0.1743 0.1155 0.1289 0.1784 0.0717 0.1096 1.8976 0.1257 0.6311 0.1358 0.1338 0.1132 0.1152 0.1335 0.1278 2.5758 0.1242 0.1169 0.7052 1.4790 0.1270 0.1144 0.1329 0.1280 0.1333 41.8761 4.4358 0.1766 0.0815 0.1338 0.1205 0.1153 3.3243 0.0769 0.0683 0.0687 1.8767 0.0720 1.5109 0.0765 0.2947 2.3681 0.9634 0.0814 0.1212 0.3655 0.0778 0.0979 0.1026 0.0767 0.0791 0.0755 0.7322 0.0781 0.3739 0.9862
Maniwamycin B 2.5137 0.7336 0.1984 0.2434 0.2814 0.3658 0.1340 0.2792 1.1020 0.4189 0.9757 0.7435 0.4446 2.1253 0.4112 0.2366 2.1201 0.1343 0.1075 0.2154 4.7593 0.5363 0.9187 0.1419 0.2497 2.3294 1.1617 0.1182 1.0349 0.2814 0.1430 0.8219 0.7843 2.3440 0.5945 0.4025 0.1723 0.2579 0.1489 1.2120 7.2966 4.0666 0.1415 0.2281 0.4748 0.6080 0.1397 2.0987 0.1135 0.1189 0.4270 1.6892 0.1680 0.2162 0.7173 1.2504 0.8820 1.5236 0.2886 0.5829 0.6509 1.5473 0.7701 0.6579 0.1113 0.1273 1.9055 0.7727 1.3749 3.5040 3.8803 1.4647 1.4462 1.5284 0.2466 1.1675 0.1359 0.1288 1.9699 1.6214 1.2713 1.1914 3.4595 0.3056 0.4306 1.4748 0.1811 0.8701 1.8449 3.4247 0.1335 0.1584 0.1687 0.1590 1.3814 0.9943 0.3116 1.2875 0.1601 1.2751 0.3840 0.2084 0.4381 0.1377 0.1380 0.1245 1.9852 7.2651 0.1886 0.7584 1.3567 1.3156 1.7480 1.8687 3.1327 0.2624 0.3175 1.4324 1.0775 0.3298 0.1774 0.1617 0.1490 0.1240 0.4502 0.1236 0.2567 0.1477 0.1637 0.3258 0.1944 0.0820 7.1433 2.9400 5.8082 5.0215 0.5440 0.2952 1.4383 0.5239 0.6397 0.0882 0.2322 0.0949 0.0715 0.0831 0.9529 1.7153
Mebutamate 0.2964 0.2307 0.1410 0.0342 0.1268 0.3256 0.0256 0.2920 0.2556 0.3676 0.1149 0.0343 0.2760 0.0950 0.4345 0.1211 0.1656 0.0293 0.1153 0.1466 0.1301 0.3962 0.3642 0.2843 0.1942 0.1049 0.1922 0.1493 0.1696 0.0319 0.1912 0.3233 0.0301 0.3044 0.2502 0.0260 0.1977 0.0874 0.3618 0.0262 0.0686 0.0390 0.1804 0.1427 0.1622 0.2206 0.0267 0.0283 0.3490 0.4365 0.0243 0.0592 0.2431 0.1039 0.1627 0.3467 0.2595 0.1421 0.4464 0.0275 0.2226 0.2888 0.0558 0.2630 0.1019 0.2496 0.3005 0.0281 0.1807 0.0322 0.1946 0.2671 0.3077 0.0210 0.1846 0.2441 0.1153 0.2332 0.2192 0.3710 0.2198 1.2466 0.2911 0.7485 0.2341 0.2607 1.1884 0.2471 0.4144 1.2265 0.2458 0.2689 1.0110 0.8255 0.8069 1.1694 1.0710 0.1776 0.1167 1.2839 0.9077 0.9265 1.1379 0.8790 0.9870 1.0704 0.8381 1.0283 0.2646 0.1772 1.2486 0.2645 0.1040 0.0282 1.1692 0.8546 0.6109 1.4031 1.1252 0.4963 0.2189 0.8628 0.7342 0.1800 0.0286 0.9265 0.2017 0.2609 0.3534 1.2147 1.2527 0.6184 1.4550 0.9597 1.2745 1.4144 1.4417 0.7630 0.5597 1.0973 0.4458 0.0269 0.6337 1.3956 1.0214 0.5361 5.6256 0.0507
Methohexital 1.0787 0.4785 1.7011 0.5755 0.5247 0.8175 1.7533 0.4132 1.0219 0.5262 1.0968 0.6626 0.4250 1.4891 0.5811 0.8211 0.4898 0.7071 0.5809 1.5596 1.0438 4.7684 0.9422 0.7070 0.4289 0.6411 0.9996 1.3096 0.7073 1.8725 0.7175 0.7191 0.9357 0.3001 1.1801 0.5551 2.1342 0.6475 1.1559 0.5928 0.8713 0.4380 0.6383 0.8599 1.8753 0.7988 1.2964 0.5384 2.2221 1.0025 1.0488 0.5938 1.1691 1.0433 1.9765 1.3652 1.0091 0.5542 0.8476 0.8482 2.1017 0.7235 0.7853 0.2774 0.4541 0.3826 0.8979 0.8946 1.4116 0.5270 0.9602 0.6845 2.5402 0.3582 1.1033 0.5506 2.3557 0.6419 1.0876 0.6140 1.0405 1.3762 1.4267 1.4993 1.3440 0.6720 1.1681 1.4725 0.5739 1.2776 1.0697 0.6962 1.3745 0.7763 1.0550 1.0034 1.0519 0.6556 1.1653 1.4395 1.1632 1.2268 0.8185 1.2738 0.5552 1.3508 1.4458 1.3325 0.5815 0.5109 0.9425 0.6821 0.2902 0.5925 1.0236 0.9544 1.7346 2.4292 1.9408 1.0491 0.5353 2.1450 1.1727 1.5752 1.3322 0.6059 1.6181 0.8421 1.1272 1.1252 1.4361 0.9043 0.7872 1.0120 2.7645 2.2932 2.0190 2.1815 0.7855 1.1116 0.8989 1.3089 0.9111 1.4421 1.3668 0.6457 0.7976 0.8323
Methylimidazoleacetaldehyde 1.5148 0.4270 0.2135 0.0875 0.5176 0.5168 0.5994 1.0075 0.2281 0.1241 0.3025 0.4156 0.5332 1.1005 0.0720 0.2267 0.2981 1.0247 1.0691 0.2715 0.4768 0.1038 1.0698 0.8557 0.1767 0.1562 0.2248 1.5520 0.8762 2.0093 3.9615 0.4984 0.4577 1.2319 0.5133 0.5365 0.5355 0.3429 0.2612 0.9083 1.8445 1.9363 2.7344 3.0730 0.2070 0.3282 1.6118 9.0402 0.4257 0.4425 1.6939 2.2500 0.4452 0.4165 0.2812 0.4641 0.3453 0.3017 0.4062 0.9199 0.9606 1.3121 1.0487 0.5553 0.8043 1.1413 1.4059 2.8144 0.4483 0.6053 1.5815 1.1179 0.2335 0.6265 0.7892 1.2169 1.3461 0.8313 0.6997 1.5989 0.8159 0.3370 0.7175 0.1401 0.3101 0.5211 0.0740 0.8997 0.7168 1.3184 1.5515 0.6445 0.4437 0.6712 1.1023 1.4333 0.7492 1.9231 0.2318 0.6881 1.4948 0.1293 0.4209 1.1267 2.5530 0.4880 1.1921 0.2846 0.2433 2.9335 2.4735 0.2897 0.2141 0.8317 1.0957 1.0223 0.5871 0.5993 0.6628 0.3248 2.5422 1.4204 4.3669 0.1484 0.2039 1.9472 0.4465 1.0437 0.7994 3.6992 0.4008 0.7941 0.9261 1.6787 0.6648 0.4323 0.6369 1.0260 1.3780 0.5566 0.9937 1.2550 0.9614 0.6685 0.7038 2.1757 1.3342 1.4077
Methylimidazoleaceticacid 0.4852 0.9713 0.6487 0.6508 0.5380 2.1662 0.6108 0.5855 0.3810 0.5771 5.0748 0.9339 0.6890 0.9608 0.5418 1.5488 0.5840 1.5027 0.4962 0.6306 1.1009 2.1601 0.5333 0.1251 0.4744 0.2210 0.6152 1.5886 1.3081 1.0979 0.7041 0.9313 0.5238 0.4687 1.5385 0.4358 0.4341 0.5653 2.8120 1.3620 0.4360 1.4593 1.7060 1.5401 2.0714 1.4293 0.4448 0.8313 1.5789 1.6631 1.7492 0.7045 0.6036 0.8980 4.3566 4.3640 0.6451 0.7189 1.0806 1.2894 2.4832 0.6264 0.2871 0.8142 0.7022 1.3438 0.9415 0.8199 0.6978 0.4513 1.6708 0.4852 3.5852 0.3592 1.1882 0.5521 1.2846 0.4944 0.9363 0.5570 0.5389 1.5212 0.9322 0.9609 1.7365 0.7149 0.5968 0.9712 0.1621 1.3735 0.4461 1.6581 1.6962 0.8173 0.4550 0.6036 0.8289 0.7945 0.7734 1.3525 0.6241 2.3264 1.2660 0.3988 0.8363 1.1399 1.4009 1.4987 1.1842 0.2212 0.5663 0.5119 1.4842 1.3110 0.1695 0.4641 1.4552 1.4279 3.1475 0.4640 0.4119 0.5965 0.3919 1.5442 3.1735 1.7536 0.2040 0.4646 0.1692 2.3505 0.5751 0.9850 1.0214 0.3165 0.8266 4.9380 0.5318 1.8042 0.8280 0.1679 0.9412 1.1752 0.8638 1.2288 1.1939 0.5486 0.7507 0.8295
MM 22382 16.8513 0.5426 0.1888 0.1527 8.8654 1.5975 0.1309 0.1118 0.0970 0.1009 0.1053 0.1097 0.1317 0.0939 0.1623 0.1477 0.1190 0.1369 0.1211 0.1186 0.1308 0.1531 0.1209 0.1229 0.1205 0.1082 0.1053 0.1417 0.1344 0.1242 0.1485 0.1238 0.1340 0.1466 0.1382 0.1123 0.1930 0.1100 0.1455 0.1320 0.1090 13.6152 0.1588 0.1307 0.1415 0.1327 11.9312 10.8826 0.1184 0.1259 0.1288 0.0852 0.1341 0.1098 0.1309 0.1589 0.1274 0.1189 6.4442 1.4084 0.1191 0.1193 0.1146 0.1044 0.1168 0.1293 0.1115 0.0897 0.1211 0.1151 0.1309 0.1250 0.1299 0.1068 0.1217 5.1742 0.1328 0.1313 0.1390 0.1512 0.1287 11.0866 0.1392 0.0740 0.1369 0.0814 0.1484 0.1196 0.1306 0.1403 0.6061 0.1236 0.1664 0.1295 0.1489 0.1594 0.1711 0.1079 8.8489 0.1558 0.1465 4.8723 0.1616 0.1345 0.1460 2.7578 0.1563 0.0841 0.1320 0.1142 0.1442 0.1200 0.1098 0.1198 0.1500 0.1539 0.1546 0.1317 0.1313 0.1283 0.1833 0.1579 0.1456 0.1256 0.1331 27.8210 0.0604 0.0643 1.6797 0.0874 0.0675 0.0801 0.0765 1.0444 0.0953 0.0846 0.0812 0.0745 0.1409 0.0828 10.3546 0.0781 0.0810 0.0931 0.0699 0.1601 0.4508 2.1306
Monostearin 1.1545 2.5638 1.1769 1.7499 0.7786 0.4583 1.2174 1.4583 1.3607 0.8467 3.0205 2.5042 0.6710 2.0035 1.1498 1.2736 1.8599 1.9352 1.9283 0.6308 0.7057 1.0398 1.2962 1.3723 1.0073 2.2066 1.1356 3.1688 1.4681 1.6051 1.6712 2.1816 2.6134 2.5038 1.7473 1.2071 1.1377 1.4626 1.2406 1.8178 1.7461 2.5498 2.2758 2.2305 2.1114 1.1881 1.1207 0.6539 1.3102 0.8714 1.8446 2.2542 1.6047 1.6775 1.8520 1.7022 2.4009 1.5803 0.8253 2.2109 1.6683 1.5690 2.1023 1.8260 1.2469 1.0944 1.5527 1.9844 1.3387 0.8508 1.2925 0.5514 0.4887 1.5952 1.5493 0.6187 1.6629 2.9083 1.0706 0.6058 0.6409 0.4286 0.4830 0.3125 0.3513 1.8361 0.4146 0.8267 0.0657 0.5568 0.6124 0.9520 0.7873 0.5837 0.3350 0.3671 0.2007 0.4094 0.1542 0.2013 0.5156 0.4532 0.7698 0.3038 0.3337 0.3409 0.2181 0.3254 0.7147 0.4129 0.5468 0.7379 2.7190 1.6348 0.8709 0.2718 1.0252 0.3959 0.6748 0.4802 0.8297 0.3055 0.4694 0.8174 0.7694 0.9155 0.9287 1.2226 1.1455 0.5028 0.4843 0.2845 0.1346 0.3871 0.2471 0.2810 0.3047 0.6679 0.6289 0.3396 0.4029 0.2220 0.9751 0.1508 0.3338 0.5623 0.5032 1.0741
Morphine 0.3766 1.1744 1.1008 0.9281 0.0838 0.0552 0.3485 0.3207 0.3274 0.0337 1.6948 1.1383 1.3173 1.4912 0.1100 2.2326 0.1571 0.5770 1.6616 1.0447 0.7136 0.0953 0.1055 0.9485 0.3550 0.8550 0.6194 0.3863 0.0176 5.0639 1.4734 0.0853 0.0999 0.0229 0.5495 2.6840 1.8233 0.2682 1.4021 0.8279 3.6757 0.5365 0.5153 0.2212 0.1125 0.0825 1.9334 1.9243 0.0627 0.1335 0.7542 2.2825 1.1787 0.4880 0.3971 0.5958 0.1025 0.1151 0.0979 0.2063 3.3553 2.0969 0.9576 0.8424 0.1281 0.0574 4.4558 6.0646 3.3808 2.1464 2.3793 0.4539 0.6139 0.5626 3.6195 0.7018 0.1125 0.0407 1.5597 0.3287 1.7344 0.9055 0.5826 1.8039 0.8879 0.0326 0.6302 0.9595 0.0865 1.7979 0.6817 0.1997 0.6401 0.3787 3.0881 0.2347 0.5951 0.1322 1.3175 0.7950 1.0725 0.1647 0.0924 0.2829 0.7538 2.0548 0.4501 3.0981 1.3127 0.6527 1.0505 1.1082 1.1891 0.0846 0.0606 2.0459 0.7885 0.1799 1.8698 0.6822 0.5671 1.0225 0.8930 1.1413 2.4532 1.7876 0.4812 0.0683 0.9600 0.7031 2.4659 2.9924 0.0478 3.0263 1.6677 0.7830 4.0414 0.9941 1.7876 5.3782 0.1441 0.5013 1.2956 3.4903 1.2694 0.4144 0.6688 0.9523
N1-[1-(2-furylcarbonyl)-4-piperidyl]benzamide 0.6914 1.3899 0.8087 0.9788 0.6898 0.7851 1.1172 1.1762 1.5126 0.8167 1.7439 1.0691 0.7910 1.7715 1.6302 0.6171 1.4898 0.9353 1.3579 0.7205 1.6455 0.9347 1.4171 1.4753 1.1742 1.7116 0.8853 1.3418 1.1980 0.9749 1.5151 1.4864 1.0665 1.0817 0.9875 0.6203 1.0925 1.8102 0.8930 0.9006 0.8238 1.5071 1.5525 2.3973 2.2956 2.1901 0.6506 0.6211 1.3921 0.8225 0.6721 1.2900 1.4744 3.3323 1.6610 2.2932 3.0889 2.6862 0.9877 1.6341 1.4558 1.8454 0.8901 1.4244 2.5843 2.1393 1.0767 2.3847 1.4002 1.3727 0.8867 0.5681 1.0205 2.0021 0.9232 0.7252 1.5841 2.1929 1.1560 1.0281 0.7606 0.7235 0.6717 0.7123 0.5091 2.3509 0.5664 1.3174 0.4072 0.8893 0.9078 1.0866 0.8955 1.0559 0.3122 0.6509 0.7203 1.0135 0.3386 0.3665 1.2746 0.6242 1.2682 0.3278 0.8894 0.5815 0.4469 0.6057 1.6110 1.0612 0.7972 2.0417 1.4368 1.2354 1.7439 0.5264 1.9620 0.8276 1.2287 1.1005 0.3539 0.6859 0.9522 1.1203 1.2836 1.5096 3.5778 3.2767 1.5031 0.8343 0.9962 0.8451 0.4322 0.9562 0.7869 0.4165 0.5552 0.9853 1.3312 0.5155 0.5518 0.3750 1.5405 0.3183 0.6598 1.8593 0.0209 0.5757
N1-Methyl-2-pyridone-5-carboxamide 0.1380 1.2923 1.0046 0.5128 0.4812 4.1725 0.6852 0.8026 0.3930 0.2171 4.4048 1.0514 1.2686 3.0149 0.8055 1.3343 0.8009 0.0282 0.4318 0.7763 1.2449 2.1329 0.5233 0.0972 0.2984 0.4601 0.2794 2.0522 0.5785 0.6359 1.0626 0.0930 0.4097 0.1465 0.3169 0.2576 0.3187 0.6157 1.5930 1.1172 0.3078 1.2538 2.8632 1.1929 2.7411 0.6723 0.2514 0.7438 0.7194 0.5601 0.8372 0.6207 0.4410 0.0200 6.4970 4.8412 0.4065 0.6348 0.0941 1.7876 3.3536 0.6473 0.1938 0.7196 0.2250 0.8918 1.1242 1.0869 0.4263 0.0677 1.4639 1.2607 3.1286 0.1401 1.1518 0.1370 2.2103 0.4738 0.5461 0.2280 0.1373 0.9228 0.4845 0.8903 1.2660 0.8642 0.9610 1.3819 0.1308 1.3074 0.1196 2.4068 3.1515 0.4274 0.0680 0.2137 0.7703 0.3313 1.1494 1.5624 0.5871 2.3614 0.7504 0.7802 2.1696 0.4184 1.8070 1.6128 1.1115 0.0576 0.0687 0.5717 0.8806 0.7269 0.0777 0.2257 1.0446 2.7611 2.5712 0.1014 0.2103 1.1050 0.1863 0.1956 0.9756 3.5463 0.0649 0.9031 0.3775 3.8500 0.2673 0.5502 0.5037 0.0675 1.0547 7.6223 0.2177 2.9930 0.6614 0.0795 2.2400 1.6823 0.7485 0.5172 0.5710 0.1698 0.9419 0.7097
N-(2-methylpropyl)-2-methylbutenamide 0.7090 1.1117 0.6805 0.7546 1.9745 0.7541 0.4260 0.5593 0.6236 1.1468 0.6980 1.6199 0.6786 1.7311 0.3857 1.1128 1.3121 1.1019 0.7544 1.0157 0.9377 0.4181 0.3739 1.7557 0.8239 0.5945 0.9500 0.3020 0.5988 5.2618 0.4561 0.6283 0.8104 1.9647 0.6476 0.8587 3.4510 0.3583 17.7481 0.4517 0.0715 0.3755 0.5011 0.6680 0.6071 0.7034 0.5465 0.3511 0.7108 0.5640 0.3715 0.2906 0.7127 0.7199 0.6597 0.5395 0.8935 0.1963 0.7701 0.3579 0.6103 0.6024 1.4117 6.4742 2.0697 0.4653 0.5878 2.5694 1.0769 0.8609 10.4016 3.8999 0.4083 0.3045 0.2786 0.4082 0.3875 0.4269 0.6014 0.6609 0.4426 0.2560 0.2414 0.1429 0.3782 0.4788 0.4384 0.5451 0.5418 0.3224 0.9828 0.2768 0.5999 0.3204 0.3810 0.1003 1.1825 1.4559 0.3920 0.3839 0.3175 0.2897 0.4479 0.5150 0.4877 0.5024 3.3830 0.4048 0.2859 0.4111 0.3517 4.6785 0.6049 1.3524 0.3310 4.5492 1.3064 0.3506 0.4846 0.5852 0.4007 1.0128 0.3317 0.2682 0.3155 0.3962 1.9653 0.1866 0.4129 0.4781 0.7103 0.5749 0.2901 0.3767 2.8947 1.4419 0.6943 0.3693 0.1683 0.4662 0.5346 1.2744 2.7716 0.4704 0.4672 0.4019 0.8573 0.3662
N-(3-hydroxy-dodecanoyl)-homoserine lactone 0.6016 1.8163 0.8025 0.9531 2.0372 1.5225 1.0711 1.6255 0.3227 1.5556 0.9755 1.1864 1.7505 0.5938 2.7721 0.9410 1.4456 1.4515 1.5480 0.6723 0.3880 0.4686 0.6928 0.6596 0.3691 0.2227 0.8828 1.1434 0.4596 1.4075 1.3742 0.5340 1.3164 0.3472 1.4521 1.4310 1.5329 0.7558 1.5395 0.8407 1.6863 1.3259 0.8269 1.7449 0.9888 0.4999 0.4919 0.4710 0.5271 0.4347 0.7313 0.8679 1.1150 1.5554 1.5280 2.2481 0.4620 1.1663 0.5651 1.0444 1.0061 0.8724 0.9433 1.6663 1.0935 0.9418 0.9088 1.1777 1.0703 1.3553 1.4401 0.2730 1.0135 0.7823 0.7432 0.9486 0.7749 0.7589 1.0786 0.4469 1.5769 2.0113 2.7256 0.9310 0.3143 0.3177 3.1923 1.1283 0.4927 0.8093 0.7419 1.1944 2.7852 0.5776 1.0752 0.3060 1.8764 0.6015 0.8116 1.2258 1.6929 0.3710 0.5808 0.4742 0.4280 1.1167 0.5421 1.0921 0.6852 0.9884 0.7175 0.4578 1.2942 0.6342 1.2584 1.2750 0.7627 1.0534 2.4597 2.1104 1.0027 2.0358 1.0553 0.8503 0.6919 1.4287 0.8357 0.5310 1.2217 1.4047 0.9865 2.8060 0.8372 2.9782 0.8949 1.9475 1.1321 1.2597 0.8754 1.0392 1.2478 1.1306 1.1272 1.2980 0.9000 0.6223 0.7201 0.7629
N-(3-hydroxy-octanoyl)-homoserine lactone 1.2550 2.1735 0.4506 1.4083 1.1131 1.2603 0.6022 1.4251 0.6941 0.7778 2.8034 0.8215 1.4295 1.4505 1.7076 0.2288 1.4068 0.6908 0.8206 0.3243 0.5177 0.5149 0.4895 1.4258 1.6604 1.6486 0.5991 1.2621 2.0152 0.7617 1.1518 2.6785 1.9513 0.4273 5.5595 1.1164 1.4898 1.8168 2.6179 0.3900 1.1727 1.4742 1.0656 1.0502 1.3432 1.9967 0.5195 0.4521 1.1761 0.4031 1.4939 0.7620 0.3155 1.3548 2.0218 1.3921 5.4560 1.6633 0.7331 1.2335 0.6566 1.2332 0.9349 1.2419 0.6814 1.0234 0.4851 0.6798 0.5624 0.7622 0.9536 1.0905 1.1393 0.9164 1.4730 0.3450 0.7866 1.6402 0.6838 1.3481 0.6022 1.0965 1.2371 0.3830 0.5914 1.6293 1.2417 0.8567 0.5171 0.4878 0.9288 0.6444 3.0621 1.6286 0.4612 1.3058 0.6613 0.6567 0.6277 0.6058 0.8427 1.9919 1.4529 1.5084 1.0108 0.4686 0.8309 0.3947 0.5107 0.3869 1.0509 0.8215 1.1977 0.5074 0.5939 1.5800 1.2953 0.6619 0.7833 1.1866 0.8990 0.9315 1.2682 0.4812 0.7618 0.4676 3.6391 1.2728 0.6684 1.7169 0.6564 1.5401 1.2644 1.3857 0.5434 1.1690 0.5684 1.1484 1.1634 0.8078 1.7226 0.3703 0.4711 0.2804 0.6464 1.7300 0.5050 0.5758
N-(3-oxo-hexanoyl)-homoserine thiolactone 12.3064 12.8385 0.0717 0.0793 0.5377 0.3357 0.0709 0.0713 0.0708 0.0734 0.0784 0.0615 0.0660 0.0624 0.0520 0.1560 0.0574 0.1056 17.5019 0.0740 0.0884 0.0890 0.0752 0.0757 19.7660 0.0658 0.0753 0.0988 0.0665 0.0846 28.3745 0.0667 0.0587 0.0581 0.9186 5.3662 0.0825 0.0641 0.0570 1.9163 0.4709 0.0677 0.0682 0.0542 0.0769 0.0687 0.7179 0.8692 0.0703 0.0676 0.4305 0.0785 0.0520 0.0580 0.0755 7.1196 0.0650 0.0735 0.0907 0.0767 0.0653 0.0650 0.0652 0.0951 0.0778 0.0936 0.0639 0.0681 0.0597 0.0757 0.0591 0.0491 0.0768 0.0583 0.2656 0.6456 0.0686 0.0756 0.0645 0.1193 0.0677 0.0674 0.1631 0.0802 0.0767 0.4081 0.0731 0.0883 0.0618 0.0908 0.0721 0.0696 0.0721 24.7896 2.9609 12.7411 0.0723 0.0556 0.0742 0.0782 0.0799 0.0895 0.0599 0.0738 0.0767 0.0958 0.0896 0.0617 0.0597 0.0536 0.0770 0.0727 0.0882 0.0593 0.0793 0.0770 0.0757 0.0785 0.0758 0.2325 12.9771 0.0790 0.0654 0.0827 0.0947 0.1900 0.0654 0.0609 0.0738 0.0753 0.0969 0.0692 0.0754 0.0755 0.0698 0.0792 0.0949 0.0627 0.0661 0.0697 0.0648 0.0600 0.0629 0.0773 0.0680 0.0784 0.0802 0.0748
N-Acetyl-D-glucosaminate 1.2619 0.3987 1.1536 0.6739 1.0977 0.9112 0.4536 0.6449 0.6083 0.8434 1.2206 1.0487 0.9520 1.0463 1.8372 0.9622 1.0268 1.1265 0.5846 1.2214 0.9778 0.9825 0.8683 0.9029 0.7891 0.8552 1.2803 1.8597 1.9849 0.8236 0.7651 1.8787 1.1346 1.0858 1.0021 0.6124 1.9665 1.8453 1.3765 0.5601 1.3034 1.3463 1.2731 0.7931 0.8334 0.9529 1.6861 1.6865 1.5385 0.8045 1.5018 0.6879 0.6959 0.4281 1.4415 1.2157 1.3817 1.7376 2.0510 2.0896 0.6638 0.6031 0.8045 1.3165 0.9851 1.2856 0.8302 0.6763 0.5969 0.7183 1.3586 1.7389 1.7100 0.2916 1.3304 1.2628 1.9358 2.1564 1.2232 1.4002 1.1181 1.5598 0.6545 1.6948 0.6475 0.3402 0.9990 0.9679 0.2581 1.5566 1.5103 0.5771 1.3358 1.0029 1.0834 1.3615 1.3465 0.8528 1.3325 1.2749 1.6737 1.1890 2.1142 2.3935 0.9432 1.5121 0.6276 1.4881 1.4755 0.8683 0.6485 1.9154 0.7871 1.2202 1.1489 0.9275 1.4141 1.4097 0.6043 1.7315 1.3812 0.5414 1.3543 0.7540 1.0852 1.0987 0.6369 1.0544 0.7668 0.3125 0.8548 0.2984 0.9167 0.8003 0.8885 0.4067 0.9463 0.4749 1.1478 1.2442 0.7346 1.5591 0.6700 0.3596 1.3900 0.4104 0.6368 1.0838
Nadolol 1.2631 0.4921 1.0638 1.0632 1.2709 0.9892 0.8669 1.2752 0.9159 0.7885 1.2521 1.2699 1.0460 0.9979 0.6425 1.3500 0.6453 1.8561 1.3910 0.7295 0.8577 1.1143 0.9333 1.8038 0.7046 0.8078 1.2741 1.1753 0.7946 1.7278 1.8500 0.7332 2.1495 0.7213 1.9610 1.0383 1.4116 0.8556 2.5773 1.1909 1.0651 1.0588 0.6063 0.5281 1.6403 1.6493 0.9711 0.8256 0.9260 0.7181 1.2393 0.6410 0.9255 0.6689 1.7105 2.1173 1.0278 0.7272 0.6860 1.2709 1.4234 1.0430 0.9312 0.8230 0.4580 0.6911 0.8730 1.0449 1.2058 0.8260 1.2802 1.0483 1.4116 0.5951 1.4923 1.3025 0.9358 1.2680 0.8168 0.7819 1.3085 0.8634 1.5855 0.9370 0.7529 0.5471 0.4223 0.8316 0.7131 0.9189 0.9022 0.7707 1.1078 1.0412 1.2282 1.0293 1.3547 0.8660 0.8308 0.6100 1.0441 0.7159 0.6226 0.9485 0.6459 1.0190 0.9812 0.7508 0.8954 0.8384 0.9583 1.0504 0.8029 1.0756 1.2591 2.3086 1.4113 0.7928 1.5623 0.7669 0.6842 1.5162 0.9609 1.0250 1.6251 0.5156 1.8619 0.6992 0.7614 1.0681 0.4734 1.5396 0.9861 1.6435 0.6628 1.5977 0.7708 1.2081 1.1613 1.5298 1.3859 0.9840 0.4450 0.8261 0.8106 2.0936 0.9275 0.7053
N-alpha-Acetylarginine 2.4605 2.3683 0.8155 0.7152 1.1149 0.4508 1.7885 0.8674 0.5073 0.2524 1.6963 0.8848 0.2644 1.4008 0.7317 2.6480 0.9155 3.2499 3.9424 0.7826 1.1472 0.8876 1.1440 1.2179 0.3730 1.1803 0.7307 2.0085 2.3022 1.8778 1.1965 0.3059 1.3113 2.0148 0.7114 1.9337 2.4573 1.7081 0.6653 4.2894 4.0237 3.6384 0.9975 0.8778 0.8831 0.7220 2.6611 1.0486 0.6153 1.1387 0.2778 1.5308 2.5443 1.0802 1.7735 1.7274 1.1833 2.1945 0.4792 1.7182 2.7714 3.3576 1.4343 0.3679 1.0444 0.8162 1.2006 2.0915 2.1805 0.2112 1.4689 0.7543 0.5943 0.5048 2.1398 2.4363 2.0853 1.4766 0.4277 0.5117 0.6624 0.4749 0.7297 0.4556 1.5507 0.1499 0.2031 0.3022 0.2567 0.3595 1.0674 0.7933 0.2759 0.1725 0.1830 1.1388 0.5898 1.6949 0.0806 0.3358 0.2745 0.1628 0.1803 0.7959 0.2730 0.1861 0.4436 0.1809 1.2112 0.2865 0.9620 0.4541 1.0982 1.4514 0.4139 0.1539 1.1152 0.1961 0.2273 0.1831 0.2070 0.2004 0.1835 0.7408 2.6061 0.6066 0.4686 0.3252 1.2394 0.3033 0.5817 0.1668 0.2086 0.1831 0.2852 0.3193 0.2961 1.0395 0.1968 0.1902 0.8381 0.6355 0.3481 0.4350 0.1570 1.1604 1.0851 0.8084
Naphthalen-2-amine1 0.9530 0.8206 0.9946 0.5234 0.8793 1.2640 1.2000 0.7498 0.9984 0.9285 0.8432 0.8017 0.8523 1.0608 0.7121 1.8115 0.8010 0.4571 0.9110 1.1758 1.4159 1.1891 1.2240 1.0199 0.8557 1.1860 1.3700 1.0016 0.9591 1.4152 1.0578 0.7754 1.0330 0.7492 0.8700 0.6312 1.1553 0.8447 0.8383 0.8733 0.8892 0.7247 1.1315 1.1670 1.2667 0.8615 0.9736 1.2393 1.5356 1.1956 0.8360 0.9015 1.3332 1.0381 1.2329 1.2078 0.7673 0.5269 1.2956 1.1654 1.0968 0.8981 1.0185 0.8353 0.8887 1.0705 1.1567 1.0188 1.1321 1.1787 1.0581 0.8745 1.5186 0.7780 0.9978 1.5168 1.1874 0.9978 1.1522 1.2121 1.1208 1.0479 1.2042 1.5928 1.2056 0.5031 1.2823 1.2229 0.9874 1.4611 1.0283 1.1088 0.9761 0.8424 1.1301 0.9807 1.1660 1.0163 0.9265 1.1004 1.0659 1.3421 1.0211 1.1202 1.2876 1.2479 1.1593 0.8939 0.9294 1.0388 1.1183 0.7533 0.4147 1.0167 1.0629 1.0933 0.8209 1.1522 0.9725 0.9850 1.2736 1.4598 1.1291 1.2530 1.4942 1.0984 1.1995 0.9542 1.1182 1.2200 1.1294 1.0487 1.1562 1.3332 1.3825 1.3588 1.2018 1.4393 1.1156 1.3034 0.9777 1.3511 1.1897 1.1887 1.3179 1.1129 0.9008 0.8257
Naphthalen-2-amine2 1.2338 0.8450 1.0781 0.6190 0.9578 1.0337 1.1264 0.5921 1.0664 0.8064 0.9640 0.8418 0.6800 0.9659 0.7034 1.1536 0.7469 0.7756 0.7752 1.2757 1.0498 1.2500 0.9796 0.9532 0.8377 0.7824 1.1249 1.2095 1.0137 1.5197 0.9354 0.8587 0.8072 0.5853 1.0860 0.7119 1.1024 0.7238 1.1041 1.0391 1.2191 1.0623 0.9733 0.8892 1.2195 0.7391 0.9612 0.8244 1.4872 1.0374 1.3983 0.9567 0.9992 0.8301 1.3300 1.2990 0.9634 0.7329 1.5997 1.0385 1.1300 0.7264 0.8641 0.7326 0.9534 0.9051 1.1184 0.9095 0.9852 1.0578 0.9940 0.8503 1.2289 0.6911 0.8830 1.1275 1.1176 0.8931 1.1202 1.0523 1.0627 1.0317 1.3053 1.5124 1.0651 0.6736 1.0215 1.5306 1.0287 1.3159 1.1405 1.0705 1.0346 1.0394 1.0537 1.0136 1.0780 0.8825 1.1775 1.2772 1.0926 1.1869 0.9540 1.2327 0.9617 1.6832 1.3092 1.1614 0.9139 0.8652 0.8849 0.9231 0.4794 0.8384 1.2355 1.2710 1.2182 0.9805 1.1146 1.3482 1.0197 1.4594 1.1366 1.1463 1.1683 0.9373 0.9882 0.8997 0.9664 1.2156 1.0144 1.0173 1.0610 1.2781 1.2243 1.5003 1.3303 1.1668 1.3152 1.3301 0.9665 1.0181 0.9198 1.3074 1.2115 1.1935 1.0655 1.0259
N-arachidonoyl D-serine 0.5746 1.0680 0.8437 0.3432 0.4116 0.8882 1.5305 0.9874 0.9799 0.6013 0.7563 0.8155 1.6057 1.2671 0.9858 0.9135 0.5858 0.5066 0.4525 0.5537 0.5096 1.1781 0.6080 0.8608 0.8351 0.2538 1.6015 0.7965 0.6517 0.3923 0.4436 1.3978 1.3163 0.6741 1.0561 0.3063 1.4824 1.1772 1.6244 0.6292 0.9158 1.3958 0.6887 0.9726 0.8050 0.5705 0.9607 0.9558 1.9240 0.9227 1.0787 0.7461 0.6618 0.9379 1.3327 1.3797 1.4511 1.0375 0.5209 0.6900 0.3150 0.2794 0.7105 0.7374 0.4284 0.8080 0.6776 0.6603 1.3348 1.3955 0.8486 0.4908 1.3015 0.2754 1.1074 1.1789 0.9160 1.1325 0.5645 0.7927 1.3811 1.2365 1.0806 0.8715 0.7427 1.6857 3.8184 1.0916 0.4712 0.9769 0.8834 0.7959 1.2173 0.9896 0.7937 0.8260 2.6355 1.4175 2.2323 1.3651 1.6080 1.3934 1.5624 1.7491 1.6685 0.5398 0.8427 1.0299 0.7989 1.2346 1.2076 1.2211 0.2673 0.5524 1.0230 2.1250 1.7154 0.3213 1.3242 2.2811 0.7446 1.6383 1.1965 0.5843 0.9139 0.5291 2.5180 2.0025 0.8938 2.0710 1.4707 1.3474 1.6434 2.4966 2.6271 2.2328 1.0260 1.5207 2.6965 1.8140 1.1318 1.2876 0.9256 0.8467 1.9683 1.1490 0.6863 0.6344
N-docosahexaenoyl GABA 0.3759 2.4491 0.1714 1.2643 0.2888 0.3887 0.3301 0.7997 0.2854 1.0691 0.1971 0.4253 0.4722 0.4016 1.2920 0.2999 0.5340 1.3326 0.2260 1.2863 1.0395 0.5938 0.7280 0.4551 2.9956 0.7578 0.3309 0.3508 0.4615 1.1064 0.6757 1.1218 0.0400 2.3539 1.1645 2.0298 0.1429 0.4396 0.2645 0.6877 2.6011 3.9483 0.4512 0.4417 1.1630 2.0485 0.5923 1.5109 1.3181 1.5726 1.1216 0.9425 0.4731 0.4014 1.3955 2.1061 2.1889 3.2882 0.1338 1.0761 0.5478 1.7023 0.1338 2.1601 2.1762 2.8460 1.9511 1.6098 0.3812 0.5071 0.3057 0.4755 0.7753 0.3010 0.3130 0.8630 1.4143 1.0572 0.8651 0.5987 1.2406 1.8309 0.1490 5.6448 0.6867 1.8615 1.3375 0.7818 0.5776 0.4199 0.3863 1.9845 0.1840 1.8264 0.7068 2.0907 0.9350 3.0415 0.4122 0.5634 0.5302 0.3570 0.1610 0.7211 0.5160 1.2334 0.8610 1.4844 2.5312 0.2923 1.3843 1.5056 0.4600 0.6783 0.4177 1.4663 0.4306 2.5309 0.4041 0.0739 0.5923 1.4987 0.2706 0.5607 0.7583 0.2311 0.3073 0.2368 0.5267 0.4115 0.9736 0.1590 0.9502 1.7598 0.9004 0.3979 1.9206 0.3267 0.9737 0.5475 2.5549 1.5797 0.9601 1.3301 1.7084 0.3710 1.1859 1.5365
Negamycin 1.1978 1.3591 1.3788 1.2208 1.0475 1.3418 1.4507 1.3031 1.4791 0.7615 1.4002 1.1793 1.2975 1.5522 1.0964 1.5920 1.6322 1.3847 1.4613 1.4979 1.8400 1.5605 1.6793 1.4881 1.3280 1.3978 1.1528 1.2785 1.5576 1.5652 1.6485 1.5733 1.3705 1.0399 1.6082 1.1659 1.2572 1.5197 1.3614 1.3469 1.3206 1.2389 1.5360 1.5563 1.5627 1.5976 1.2712 1.0821 1.3663 1.8223 1.3245 1.4549 1.5558 1.6925 1.5612 1.4210 1.6238 1.5841 0.8895 1.6615 1.4575 1.6142 1.4095 1.7084 1.0349 1.1077 1.3883 1.3767 1.4410 0.8070 1.6080 1.6966 0.8176 1.3586 1.5256 1.2041 1.4383 1.4970 1.7048 1.0821 1.3151 0.1396 1.3754 0.0697 1.2881 1.1987 0.5671 1.3058 1.2157 0.7427 1.2533 1.3607 0.2366 0.0320 0.6473 0.0301 0.4643 1.0659 0.0112 0.3739 0.3450 0.1571 0.1797 0.4242 0.2828 0.0240 0.0588 0.3809 1.0421 1.2210 0.1083 1.2468 1.1748 0.8610 0.3720 0.0277 0.7351 0.3352 0.7526 0.8461 0.9916 0.7207 0.7159 1.0463 1.2540 0.0590 1.3654 0.9409 1.3161 0.2382 0.0557 0.9367 0.8637 0.3341 0.1420 0.6971 0.2900 0.2898 0.5116 0.1288 1.1087 0.2152 0.0964 0.1229 0.3569 0.0443 1.1481 0.5360
N-formylloline 0.8763 0.9968 0.8369 1.4041 0.9926 0.7843 0.2911 0.8667 1.0997 1.5790 2.0308 0.7120 1.0141 0.9615 0.6301 0.4880 1.1336 4.5907 4.2037 0.2353 0.6308 0.3580 0.9433 0.7885 0.5345 1.0590 1.2579 1.9878 2.7619 0.8176 0.6805 2.2107 0.4893 0.4329 2.8874 0.8016 2.1397 2.1696 1.2456 1.2361 2.1367 1.5730 1.1444 1.8258 1.0566 1.5329 0.7474 1.1186 0.3974 0.2671 1.6887 2.0879 0.7322 1.3926 1.3427 1.0352 1.4163 1.2472 0.3437 1.5049 0.5103 2.3482 0.8854 1.5035 1.8282 2.4087 0.7056 0.9058 0.3101 0.5714 0.9055 1.1416 1.0609 0.6116 1.3923 1.4666 0.8845 1.1713 0.5664 0.7744 0.8332 1.1914 0.2631 1.5981 0.4145 0.8049 0.6335 0.8335 1.3592 0.4544 0.7087 0.8083 1.2138 1.2280 0.7265 1.2183 0.4942 1.0515 0.2340 0.2675 0.1764 0.6529 0.9604 0.5369 1.9736 0.8373 1.2084 0.5999 0.8719 0.9666 0.4598 0.4269 0.9230 1.7925 0.7957 0.5597 1.1105 1.2152 0.8355 0.7356 1.1082 0.8079 1.2126 0.4107 2.3945 1.1368 1.8458 1.3176 0.8473 1.1803 0.1304 0.8727 0.6813 1.0498 0.5789 0.5675 0.6468 2.7709 0.9831 0.5892 0.9614 0.7926 0.4288 0.8299 0.3613 1.4011 0.7908 1.1379
N-hexanoyl-homoserine lactone 1.1727 1.2397 1.6372 1.3418 0.7363 1.3387 0.9831 1.0505 1.2759 1.0359 1.1678 0.8884 1.4306 0.8126 0.6394 0.8706 1.2512 0.6019 1.0168 0.1768 0.2891 1.8235 2.1650 1.2459 1.1654 1.1437 0.7362 2.1336 2.2158 1.1755 1.2589 1.7155 0.5889 0.5944 0.0917 0.8420 1.1006 1.0527 1.0854 1.1725 1.5331 1.5452 1.2364 0.9914 0.8515 0.7053 0.8312 0.8701 0.9779 0.6466 1.4239 1.7526 0.8377 1.1236 2.4413 2.4557 1.0474 1.2344 1.5256 0.8225 1.1866 1.1742 1.1144 1.4787 0.8448 0.6879 0.9792 1.5036 0.9892 0.6621 1.0767 1.3174 2.0560 0.9471 1.7777 1.1576 1.9214 2.0461 1.5257 1.5697 0.8265 1.2991 0.6444 0.7074 0.8879 0.4735 1.1561 1.3324 1.2972 1.1479 0.7584 0.8500 1.0981 1.0544 0.8010 1.0639 1.0561 1.0446 1.4054 1.0470 1.4171 1.1804 1.2399 1.1558 0.9538 1.7429 1.9879 0.4442 0.4144 0.8866 1.0742 1.0803 1.1091 0.8276 0.6895 0.3629 1.1301 1.0028 0.8733 0.9221 0.5186 0.9851 0.5037 0.6187 2.1365 1.4523 0.2101 0.8865 0.8541 1.1438 0.8478 1.4535 0.7484 0.2430 1.3955 1.0814 1.6811 0.4538 1.2471 0.6356 1.1271 0.6911 0.3394 1.1614 0.4896 0.2675 0.7159 1.3885
N-Hydroxy-2-acetamidofluorene 1.8674 1.1498 1.3240 1.0063 0.5268 1.3446 1.2775 1.1600 2.4075 2.1321 1.3402 0.2909 0.5955 2.7987 2.1232 0.5482 1.7520 0.9357 1.4436 1.1016 1.3403 1.7510 1.5267 0.7486 0.6498 0.5596 0.4620 1.1823 1.0833 2.2688 2.0749 1.6258 0.4336 0.3865 0.5840 0.2670 1.1583 0.9371 0.7588 0.3266 1.0729 0.9163 1.0585 0.9711 1.3137 1.1372 0.3139 0.2633 0.6769 0.5286 0.4979 0.8651 1.3181 1.5810 2.2093 2.1511 0.8043 0.7986 0.9459 0.6972 0.8361 0.6251 0.4292 0.4185 0.9263 0.9030 0.6870 0.7743 0.4768 0.3906 1.0708 0.9881 0.7528 1.1948 1.4174 1.1940 1.9250 1.8678 1.7980 2.0718 0.6888 1.0268 0.4417 0.8777 0.5231 1.2321 1.2419 0.8915 0.8793 1.9751 1.2068 1.1251 1.3789 1.2283 1.7102 1.8396 0.5923 0.6332 1.1832 0.9387 1.2792 1.4730 1.5105 1.6622 1.2376 2.6634 2.5438 0.8054 0.6646 1.6280 1.9132 0.7867 1.1558 0.4338 0.7933 0.4787 0.8741 0.6062 1.2433 0.2505 1.0732 1.8503 1.5662 0.6342 0.4478 1.5266 0.5660 0.8220 0.8101 0.7415 0.2326 0.9896 0.1326 0.8919 0.5970 0.9449 1.6250 0.6472 0.2692 0.2761 2.0700 0.5537 1.2410 1.5689 1.3549 0.5097 0.8284 0.8014
Nicotinamide 1.0283 1.1827 0.8564 0.7430 0.6776 0.8582 1.3017 0.4165 1.1070 0.5237 0.4401 0.8038 0.9646 0.9303 1.9715 0.9743 0.4540 0.6035 0.7079 1.0812 0.6649 2.2575 0.6650 0.9161 0.8661 0.5122 2.1126 0.5161 0.7898 1.3533 0.5513 0.6832 0.5286 0.5436 0.4306 0.5420 0.9895 0.7759 0.8011 0.6500 1.1635 1.0896 0.7998 1.1165 1.1476 0.9015 0.6935 0.7260 0.9895 0.9685 0.8298 0.9566 1.3113 0.8414 1.0607 1.3410 0.5477 0.5098 1.9327 0.9334 1.1824 0.9120 1.0171 0.6843 1.0348 1.6076 0.6081 1.1050 0.8320 0.7542 1.6218 1.3733 0.7586 0.5492 0.8214 1.0677 1.0445 0.8530 0.6721 0.7352 0.9630 8.6962 0.6201 1.0048 0.7889 0.7309 0.8946 1.2856 0.5680 0.9071 1.4684 1.1233 1.4409 1.7568 1.4204 1.2255 1.5920 0.8631 0.8852 1.4065 1.5269 2.1156 0.9983 0.9738 0.7180 2.0120 1.5555 1.4279 0.9957 0.8792 0.8741 1.5313 0.3895 0.5202 1.3272 1.3083 1.2602 0.6336 0.9172 0.8975 0.9904 2.0120 2.1163 1.5491 0.8877 2.0103 1.6685 1.0042 1.3795 0.9441 1.5469 0.9183 0.9265 1.1802 0.6371 0.9643 0.6074 0.6515 1.5331 0.9267 0.7362 1.1469 1.6847 1.5650 1.3483 0.7184 0.8290 0.6636
Nitrosporeunol D 1.2971 0.8734 1.7209 0.9414 0.5216 0.7858 1.1595 0.8727 0.8741 0.4375 1.0124 0.9350 0.5145 1.0115 1.5464 1.3058 0.4707 1.4835 0.9860 0.8233 0.7438 1.5361 1.5488 0.6763 0.2636 0.6042 0.8936 1.1878 0.8681 1.3342 0.4584 1.3506 0.8928 0.7806 1.7266 1.0177 1.2383 1.3234 1.5694 1.2303 1.6284 1.2516 1.1634 1.3089 1.0495 1.1626 0.6568 0.5567 0.8989 1.0043 1.4022 1.0544 0.8686 0.7153 1.4603 2.0563 0.6432 0.5446 0.7183 0.7547 1.2419 0.4115 0.5533 0.6127 0.7751 1.0112 0.7120 0.2459 1.7246 0.7601 0.9986 0.6552 1.2953 0.3054 1.2115 1.6269 0.8016 1.1468 1.3950 1.4347 2.4465 1.5377 1.0311 0.9800 0.6992 0.5863 1.3979 0.8476 0.4102 1.1293 0.6943 0.5246 1.3181 1.1258 0.9174 0.7206 0.8518 0.6684 2.0274 1.7414 1.4382 0.7412 0.6283 1.5602 1.2937 1.1171 0.8057 0.9057 0.3213 1.0866 1.3731 1.4154 0.3815 0.8299 1.9277 0.1968 1.8617 0.9744 2.6786 0.9509 0.7152 1.5052 1.5527 1.6538 0.8397 1.0740 1.9863 1.2389 1.2727 1.3364 0.8249 1.0285 1.0614 1.2588 1.0494 1.3362 1.3041 1.7456 1.1112 2.1519 1.4765 1.6841 0.8607 2.2403 1.1485 1.3388 0.6778 1.1915
N-linoleoyl dopamine 0.4070 1.1317 0.0685 5.2193 0.4380 0.4821 0.4339 1.6953 0.3728 1.6486 0.4364 0.4895 0.7003 0.3160 0.5832 0.7238 0.8492 2.9360 1.2138 0.0308 0.5286 1.2173 0.9048 0.1876 0.7261 0.4757 0.0595 0.9112 0.7842 0.3961 0.7785 5.1811 0.0077 0.4603 2.9281 1.4063 0.2966 0.9855 0.0081 0.5742 1.9892 3.7804 0.9453 0.8494 1.4806 2.7409 0.3944 2.7729 2.7034 0.5189 1.3346 1.3251 0.0139 0.1611 3.7326 11.1614 1.3540 1.5253 0.3382 0.4576 0.5908 0.6547 0.3985 0.2880 1.0209 0.2543 1.9161 1.8565 0.9104 2.3829 0.6314 0.8746 0.9026 0.2489 0.4000 1.0638 1.4496 2.8415 0.9554 0.4288 0.4683 0.4939 0.3131 0.5954 0.9927 2.5135 0.0126 0.0098 0.2075 0.1677 2.5522 7.3633 0.2488 1.8531 0.4111 1.4120 0.7195 1.9323 0.0428 1.0711 1.3242 0.0184 0.4197 1.4991 0.4963 0.4325 0.4286 2.1369 1.6980 0.5847 0.6890 0.4556 0.2949 0.8764 0.3146 2.7562 0.6318 0.4597 0.5409 0.2997 0.2159 0.5320 0.4260 0.2679 2.8714 0.5654 0.2541 0.5573 0.1263 1.0508 0.4378 0.4927 0.4690 0.5454 0.5040 0.4140 0.3440 0.7933 0.8707 0.6542 0.4660 2.1645 0.2361 1.5641 0.3360 1.1214 0.8619 1.0161
N-Methylnicotinicacid1 0.0420 0.1590 0.0141 14.7849 0.0175 0.0365 0.0303 0.0069 0.0081 0.0112 0.1677 0.0107 0.0149 0.0071 0.0094 40.3494 0.0101 0.9923 0.1502 0.0157 0.0133 0.0149 0.1022 0.0080 0.0071 0.0075 0.1876 0.0217 0.0458 0.0076 0.0256 0.0093 0.0205 0.0328 0.0092 0.0509 0.0133 0.3035 0.1402 0.0578 1.2283 30.4875 0.2471 0.1902 0.0191 0.0210 0.0227 0.0100 0.0082 0.0125 0.1089 0.1365 0.0326 0.0091 0.0822 1.7799 0.0116 0.0142 0.0130 0.0419 0.0206 0.1164 0.0224 0.0099 0.0152 0.0252 2.0557 0.0761 0.2319 0.0471 0.0166 0.0070 0.0076 0.0214 0.1673 0.0586 0.0220 0.0087 0.0071 0.0119 0.0082 0.0085 0.0077 0.3368 0.0082 0.0088 0.0180 0.0048 0.2795 0.0201 0.0148 0.0077 0.2610 0.0106 0.0079 0.0113 0.0040 0.0302 1.4346 0.0295 7.6870 0.0551 3.8116 0.0139 0.0075 0.0374 0.2587 0.0072 0.0086 0.7212 0.0044 16.0458 0.0102 0.1517 0.0098 10.7431 0.0159 0.0083 0.0085 0.0184 0.2867 0.1178 0.0098 0.0258 17.3570 0.0129 0.0171 1.7126 0.0107 0.9490 0.0097 6.4862 0.0079 0.0174 0.1342 0.0962 0.0072 0.0140 3.9143 0.1368 0.0116 0.0128 0.0361 1.2872 0.0177 0.0154 0.2737 0.1367
N-Methylnicotinicacid2 2.2594 0.0715 0.0981 0.0907 0.0490 0.0568 0.1046 0.1860 0.0744 0.1034 0.1853 0.1228 0.1888 0.0565 0.0078 0.4021 0.0413 4.4808 2.2216 0.1870 0.1373 0.0302 0.2771 0.2704 0.2243 0.0095 0.1154 0.6606 2.6463 1.1593 16.5029 0.5067 0.1578 0.3651 0.0684 0.1074 0.2009 0.1012 3.4651 0.3719 0.3000 1.2066 1.9472 4.1691 0.0356 0.2054 2.5410 1.3985 0.0328 0.5221 0.5406 1.0784 0.2135 0.1568 0.1712 0.1580 0.0898 0.1083 0.1414 0.4857 0.8636 1.1427 0.6872 0.1581 3.0669 1.8444 2.0563 1.4642 0.4436 0.6020 0.8591 0.1940 0.2947 0.1315 0.1338 0.1643 2.7018 1.2124 0.6977 0.3140 1.1505 0.0860 0.1275 0.9969 0.0310 0.0394 0.1415 0.3525 0.5418 1.5405 0.1436 0.1162 0.5745 1.0894 1.5722 0.0816 0.2412 0.3567 0.0351 0.4481 0.5117 0.0639 0.1048 0.0759 1.1275 0.2755 0.9076 0.0905 0.1533 5.1438 13.0425 0.0445 0.0827 0.0268 3.0279 2.3591 0.6979 0.3533 0.2559 0.1100 9.0396 0.1581 3.9472 2.3637 0.5923 0.3856 0.0669 0.4580 0.0958 7.5377 0.0475 0.8327 0.2495 2.5970 0.1395 0.6287 0.1946 0.4140 0.9416 0.4018 0.1217 0.3637 0.2925 2.5317 0.4827 3.1900 1.1131 2.2500
N,N-Bis(2-hydroxyethyl)dodecanamide 0.5422 0.9726 1.6517 1.2345 6.4596 0.8106 2.3978 0.6114 0.1743 0.7509 0.5093 1.7511 0.2904 0.2103 0.3228 0.3559 0.3625 0.3971 0.6951 1.2171 0.3060 1.8527 1.0739 2.1887 0.1184 0.8327 1.5707 0.3789 4.5390 1.9295 1.5385 0.3432 2.5625 1.3290 4.6794 0.9399 7.3794 6.5070 2.1242 2.8104 1.0484 0.2466 0.4174 3.1533 1.9092 0.1547 2.9294 6.1507 1.4037 1.2396 4.6968 1.5103 0.0914 0.3009 0.5088 0.3236 0.3217 2.0364 0.3081 0.1463 1.0983 1.3179 4.4686 6.5235 3.3183 0.1485 0.1434 0.6938 4.6649 2.3261 2.2758 1.8381 4.2460 2.7271 0.3113 0.7446 0.5749 0.1611 0.7523 4.5596 0.0670 0.0879 0.0841 0.0767 0.0525 0.0904 0.0522 0.2162 0.4359 0.1131 0.0792 0.0802 0.0867 0.0846 0.0640 0.3015 0.4326 0.2915 0.1138 0.0695 0.0775 0.0582 0.0786 0.0506 0.2862 0.2799 0.3116 0.0677 0.0850 0.1414 0.1122 0.0878 1.4183 0.7743 0.0674 0.0533 0.0980 0.0616 0.1506 0.3128 0.2618 0.0633 0.0596 0.0648 3.6258 0.1101 0.1373 0.1315 0.0730 0.0768 0.0669 0.3760 0.3371 0.0840 0.2512 0.2118 0.0463 0.0600 0.1110 0.0500 0.2550 0.0527 0.1011 0.0421 0.0636 0.0847 0.9742 1.0902
N,N-diethyl-3-hydroxybut-2-enamide 1.2075 0.6443 0.9700 0.8078 0.3838 0.5220 0.4846 1.1256 0.7942 0.7334 2.0972 0.3021 0.1668 0.5583 0.3399 2.9129 0.9651 0.7897 0.5773 0.5880 0.7640 0.8667 0.6390 0.9703 0.7196 0.2916 1.0306 0.9942 1.0437 0.6460 1.8854 0.4157 6.4024 10.0678 0.2650 0.1480 1.0461 0.4363 2.6552 1.7085 2.4498 3.7966 0.5090 0.8006 0.6826 0.3146 0.6259 0.9384 0.8407 1.5146 0.5988 0.8144 1.5478 0.8607 0.8127 1.0329 0.9092 0.3147 0.5156 0.4974 1.3617 0.7128 0.9199 0.1753 0.2236 0.6378 1.1481 0.7815 0.9279 0.4574 0.6689 0.3607 0.6267 0.4517 0.8793 0.6543 0.8308 1.1444 0.9614 0.7951 0.5344 0.1902 0.1745 0.5340 0.1654 0.2737 21.1000 0.5404 1.7177 0.9772 0.5382 0.2162 0.6564 0.7275 0.3233 0.3718 0.4891 0.5272 1.0522 0.8973 2.0942 0.6788 0.4335 0.7587 1.3424 0.5494 0.7981 0.3527 0.1738 1.2320 0.6489 1.5290 0.1996 0.6157 1.3800 0.9824 0.3941 0.3061 0.1745 1.3294 0.2713 0.7314 1.3475 2.4068 0.5392 0.6843 0.8461 0.6466 0.7396 1.2911 1.3568 1.9840 0.9235 0.9290 1.0570 1.1103 0.9800 0.4195 1.9633 0.8057 0.4819 0.8194 0.4375 1.6679 0.6270 1.4218 0.6983 1.1375
N,N-Dimethyl-1-pentadecanamine 1.1777 0.2004 0.2160 0.1985 0.3298 0.2026 20.0114 0.0915 0.1272 0.1048 0.1409 0.1701 0.2481 0.2165 0.1042 0.1297 0.1128 0.1729 0.2074 5.3673 0.3081 55.8024 0.3095 0.1227 0.2240 0.1065 0.2453 0.1603 0.0838 1.1737 1.6457 0.1698 0.6680 1.0326 0.3161 1.9664 0.3388 0.4225 0.9543 0.3642 0.0897 1.1174 0.1365 0.0853 0.1500 0.2094 0.1242 0.2282 0.1206 0.4682 0.1491 0.1394 0.1134 0.1392 0.2776 0.1450 0.1710 0.1488 0.2632 0.5270 0.2318 0.1509 0.3652 0.5507 0.2113 0.3871 0.1055 0.3167 0.1106 0.0972 0.0618 3.1130 0.3563 0.8005 7.9606 0.4986 0.4221 0.1496 3.9197 0.3628 0.4209 0.4794 0.2790 0.3468 0.1612 0.2629 1.9636 0.3390 0.5946 1.4568 0.7246 0.3605 0.2107 0.3061 0.4190 0.4102 0.1261 0.5996 0.2878 0.1289 0.1834 0.4287 0.2797 1.3645 0.4135 0.3429 0.2898 0.3256 13.8631 0.4479 0.6171 0.2538 0.4724 0.0850 0.2565 0.3443 1.0645 0.8442 0.8496 0.5370 1.8922 0.3191 0.2487 0.3847 1.3996 0.4246 0.3479 0.2390 0.3033 0.1106 0.2826 1.4150 0.5144 0.3267 0.2924 0.3815 0.2685 0.3575 0.2447 0.1865 0.2049 0.2502 0.3029 0.1707 0.3426 0.2598 0.3240 0.1930
N-oleoyl L-serine 0.6326 1.3272 0.5568 0.4166 0.5210 1.0360 1.6077 1.1555 0.9922 0.7570 0.7810 0.7076 1.6365 2.0060 2.0300 0.3515 1.1091 0.3920 0.5837 0.5012 0.5287 1.1744 0.8173 0.7932 1.2606 0.5261 0.5597 0.8938 0.8741 0.3503 0.6308 2.2519 1.0361 0.7563 1.0063 0.5090 1.1941 1.3917 0.7672 0.2225 0.7014 1.2649 0.9423 1.3275 0.9556 0.7634 1.0910 0.8064 1.7312 0.5395 1.5355 1.1644 0.7261 1.7702 1.3353 1.2809 1.6914 1.1339 0.2242 0.5061 0.3381 0.3401 0.5114 1.6808 0.4887 1.0930 0.5627 0.5592 0.6076 0.9600 0.9086 0.7546 0.5191 0.3711 0.7213 0.7191 0.8790 1.0538 0.7654 1.6646 1.3204 1.9716 1.0767 0.5397 0.8943 1.6398 3.3535 0.9485 0.6149 0.6283 1.1602 0.7323 2.0462 1.4397 0.5078 1.0535 3.0224 1.7341 2.1585 2.1197 2.2724 2.1555 2.5394 1.3350 0.9377 0.5438 1.2629 0.5980 0.8504 1.0644 1.2984 1.4506 0.5109 0.3480 0.6566 1.8342 1.8088 0.4577 1.2578 1.7563 1.2031 1.3713 1.0617 0.4052 0.4408 0.4310 2.7027 2.2049 1.0990 1.4937 1.4195 1.5228 2.1427 1.3960 1.6000 1.4263 0.7928 0.7957 1.6591 1.2175 1.2683 0.7441 1.9618 0.5565 1.6070 1.4669 0.6515 0.7104
N-oleoyl threonine 1.1459 1.5889 0.5557 0.2591 0.6593 1.2736 1.4354 1.0842 0.7121 0.5378 0.6279 0.6031 1.3150 1.4931 1.6524 0.5369 0.9687 0.3109 0.6137 0.5922 0.4724 1.0877 0.6199 0.6451 0.9916 0.5693 0.7504 0.8404 0.8114 0.5848 0.5997 1.9557 1.0525 0.7133 1.1202 0.4034 1.0917 1.4069 0.8480 0.1638 0.8894 1.4727 0.9224 1.3586 0.7142 0.5874 0.8049 0.8785 1.3303 0.4193 1.3488 1.0473 0.4355 1.2811 1.3949 2.1120 0.9666 0.8304 0.1365 0.3296 0.3281 0.3738 0.6918 1.3214 0.6807 1.3459 0.5503 0.3355 1.2894 1.8305 0.6597 0.7151 0.7627 0.1652 0.7718 0.6856 0.5268 0.7026 1.0136 1.4244 1.3806 1.8728 0.6430 1.0490 0.5710 1.1137 2.8902 0.7460 0.4052 0.9038 0.8305 0.5071 1.5391 1.3185 0.2997 0.7460 2.3655 1.9100 2.3295 1.8140 3.2065 1.8197 1.9111 1.1432 0.7708 0.3808 0.7133 0.7976 0.6974 1.0707 1.6976 1.6378 0.2573 0.2695 0.9893 3.0256 1.8340 0.3523 1.0184 1.7031 1.8721 1.2205 1.2619 0.6229 0.6639 0.7157 1.9574 1.8559 0.8241 1.7197 1.3449 1.5551 2.2880 1.9820 2.7425 2.3422 1.0170 1.4025 1.8900 1.5863 1.6912 1.0903 1.7334 0.3440 2.2633 1.7180 0.6714 0.6882
Noroxymorphone 5.5900 0.4684 0.5209 0.5755 0.6399 0.5207 0.5150 1.1144 0.5143 0.5330 0.5694 0.4464 0.4790 0.4529 0.3772 0.5203 0.4166 0.7668 0.5259 0.5374 0.6421 0.6463 0.5458 0.5495 0.4432 0.4779 0.5465 1.4660 0.6887 0.6141 1.0767 1.1541 0.4263 3.5662 1.0252 0.6283 1.2811 0.4656 5.4111 0.5261 1.0904 1.8998 0.5757 2.7102 0.5586 0.4987 3.2116 9.5556 0.5103 0.4908 2.9454 1.7717 0.3777 0.4214 0.5482 0.7963 0.4720 0.5339 0.6583 0.5566 0.4741 0.6618 0.4734 0.5009 0.7799 1.3642 2.5142 1.9007 0.4336 0.5496 0.4294 0.3565 0.5577 0.4236 0.5500 0.5030 6.3989 3.3565 0.4680 1.4397 1.7486 0.4892 0.5488 0.5820 0.5566 0.4441 0.5305 0.6414 0.4485 0.6594 0.5237 0.5051 0.6261 0.7251 0.5003 0.5167 0.5251 0.8043 0.5389 0.9325 3.7839 0.6498 0.4348 0.5357 1.8963 0.6958 1.3076 0.4483 0.4338 1.7271 1.0926 0.5280 0.4071 0.4303 1.4425 0.5590 0.9115 0.5702 0.5505 0.7083 1.4277 0.5736 2.9352 0.6006 0.6872 1.3794 0.4746 0.4423 0.5356 0.5602 0.7032 0.5024 0.5477 0.8179 0.5069 0.5752 0.6890 0.4551 0.4800 0.5060 0.5950 0.4354 0.4564 0.5610 0.4939 2.7977 1.2771 0.7360
N-palmitoyl glutamic acid 0.5177 1.0746 0.4250 0.6017 0.7760 0.8471 0.8158 1.0838 0.6233 0.6919 0.6174 0.7166 1.3360 1.3826 1.4996 0.4419 1.3830 0.9256 0.5995 0.9208 0.8169 0.8647 1.0028 1.0100 1.3918 0.5304 0.5502 0.8071 0.8200 0.6339 0.8857 1.7843 0.6181 0.4289 1.3673 0.6444 1.2202 1.6847 0.7715 0.3278 1.5435 3.1560 1.0222 1.4597 1.0833 1.4543 0.8461 0.9426 1.1956 1.0155 1.0678 1.3198 0.3449 1.4218 1.9106 1.4651 1.3850 1.7929 0.1489 0.3766 0.4723 0.4298 0.5552 0.8428 0.8756 2.3771 0.5957 0.7770 0.5656 0.9540 0.9759 0.6573 0.8185 0.5399 0.6059 0.9148 0.8418 0.8539 0.6638 1.3865 0.9483 0.6207 1.1417 0.7500 0.5129 2.1531 1.5988 0.9430 1.0481 0.9134 1.3970 0.9248 1.5786 1.1627 0.4802 0.7204 1.2835 1.0763 1.0044 1.1888 1.3984 1.3834 1.3350 1.3319 0.5517 0.8714 2.3614 0.1993 0.5760 0.9504 1.6678 1.6206 0.5844 0.2548 1.3172 3.0702 1.1347 0.7962 2.1698 1.2366 2.1282 1.9103 0.9959 0.2787 0.8599 0.1358 3.0913 1.6948 0.8267 1.2560 1.1986 1.3649 1.5411 2.5074 1.2427 3.0484 1.0636 1.1300 1.4028 1.5097 1.4203 0.7338 0.8694 0.9539 1.8833 1.3886 0.7134 0.7761
N-palmitoyl serine 0.5361 0.6650 0.5334 0.2626 0.4770 0.7430 1.7863 1.0159 0.5554 0.4839 0.5403 0.5999 1.2495 1.4528 1.1452 0.4087 0.7580 0.3264 0.4986 0.5843 0.4166 1.2939 0.7086 0.6672 1.0197 0.4245 0.6326 0.7407 0.6171 0.4695 0.5399 1.4916 0.9207 0.5915 0.9403 0.6685 1.2306 1.3912 0.5539 0.1917 0.7348 1.2692 0.7884 1.1560 0.7732 0.7123 1.1422 0.7355 1.8550 0.6792 1.1865 1.0113 0.7395 1.3500 1.1606 1.1351 0.9894 0.7199 0.2965 0.7470 0.3023 0.2478 0.8370 2.0527 0.5498 1.0535 0.4806 0.5103 0.7563 1.0623 1.1556 0.8645 0.6132 0.2665 0.7325 0.8975 0.6357 0.6516 0.8111 1.5420 1.8111 2.3795 0.9986 0.8593 0.8518 1.4552 3.6865 0.9116 0.5367 0.7215 1.6287 0.9233 1.5741 1.2495 0.4647 0.8046 3.4916 1.8935 1.5887 3.7245 3.5604 1.8042 2.2090 0.9835 0.8075 0.6490 1.3282 1.0360 0.9300 0.9873 1.5223 1.1255 0.3222 0.2832 0.8449 1.7925 2.0062 0.6546 1.2105 1.7674 1.8240 1.3410 1.3148 0.5488 0.4700 0.4169 2.3434 1.9365 1.0986 1.5362 2.1250 1.3324 3.0495 1.7700 1.7163 2.2159 1.0115 0.5663 1.4980 1.5300 1.2602 1.0799 2.0556 0.8338 1.7586 1.2231 0.7094 0.6042
N-palmitoyl threonine 1.3630 1.1536 0.6272 0.5306 0.3044 1.1155 0.9307 0.7499 0.5709 0.5409 0.4194 0.2932 0.9000 0.5025 0.6546 0.9525 0.4186 0.2996 0.9481 0.4287 0.3301 1.0702 0.6129 0.4599 0.5704 0.2081 0.5595 0.4836 0.4695 0.7261 0.5481 1.5492 0.9991 0.7452 0.4958 0.3098 0.8277 0.7811 1.3540 0.5083 1.1685 1.5417 1.0195 1.4473 0.4770 0.5175 0.5802 0.9629 0.9421 0.4493 0.9597 1.0188 0.3375 0.7241 1.4208 6.0668 0.3115 0.3024 0.2057 0.3301 0.3405 0.5274 0.3973 0.5511 0.5087 0.7027 0.4579 0.3394 2.6999 2.8229 0.4644 0.5109 0.9821 0.1701 0.9125 0.8436 0.3399 0.3755 0.6438 0.7333 0.9832 1.2600 0.5101 1.1127 0.5624 0.5762 5.0417 0.5399 0.4476 0.7474 0.5765 0.4176 0.5806 0.8408 0.3375 0.4277 1.6425 2.9779 3.6008 1.2518 1.9490 0.7352 0.8169 0.8692 1.2049 0.4186 0.5515 0.7319 0.7467 1.3261 1.2399 1.2973 0.3330 0.3381 0.8534 4.0406 0.9242 0.5942 0.8459 3.2435 1.1031 1.7522 1.2400 0.5663 0.8358 1.1401 1.0166 0.9566 0.5553 2.7835 0.7782 1.9181 1.9645 1.7074 7.4317 2.8162 1.0821 3.8977 3.6933 1.2488 1.3823 1.4317 0.7901 1.1396 2.0984 2.4584 0.7831 0.7372
N-stearoyl serine 0.8673 1.2819 0.6571 0.3508 0.7095 1.2800 1.3623 1.0642 0.7568 0.5490 0.6301 0.6702 1.3707 1.1805 1.3353 0.4857 0.6949 0.5020 0.6043 0.6848 0.4639 1.1466 0.5934 0.6582 0.9542 0.6577 0.8372 0.8036 0.7587 0.7089 0.5500 1.2597 1.1417 0.8781 1.3062 0.5320 1.1043 0.9755 0.8091 0.2508 0.9269 1.4991 0.8325 0.9178 0.6731 0.6270 0.8933 0.6499 1.5684 0.6865 1.1732 0.7583 0.5314 0.9861 1.1848 1.2004 1.1068 0.5636 0.6545 0.6066 0.3888 0.4272 0.8093 1.4300 0.7152 1.3725 0.6269 0.4559 0.6067 0.9668 0.7008 0.6406 0.8287 0.3950 0.7458 0.7325 0.6588 0.5853 0.7227 0.9739 1.3206 1.9124 1.2015 1.1181 0.7611 1.2301 2.0656 0.8211 0.5706 0.9150 1.0718 0.7079 1.8113 1.3646 0.5967 0.9753 2.5818 1.3995 1.5187 1.9692 1.9327 1.9117 1.4376 1.3047 1.0168 0.7086 0.9630 1.1080 0.8269 0.9137 1.4767 1.1267 0.4513 0.3373 1.0843 1.8783 1.7010 0.5864 0.8776 1.7771 1.9970 1.0776 1.3109 0.5647 0.4181 0.7769 2.0296 1.8177 0.8217 1.8528 1.2471 1.4316 2.1557 1.4631 1.3642 1.9798 1.0579 0.6422 1.2872 1.3179 1.4165 0.9035 1.7021 0.8645 1.4677 1.4582 1.2260 0.6822
N-tetradecanoyl-homoserine lactone 0.5361 0.6650 0.5334 0.2626 0.4770 0.7430 1.7863 1.0159 0.5554 0.4839 0.5403 0.5999 1.2495 1.4528 1.1452 0.4087 0.7580 0.3264 0.4986 0.5843 0.4166 1.2939 0.7086 0.6672 1.0197 0.4245 0.6326 0.7407 0.6171 0.4695 0.5399 1.4916 0.9207 0.5916 0.9403 0.6685 1.2306 1.3912 0.5539 0.1917 0.7348 1.2692 0.7884 1.1560 0.7732 0.7123 1.1422 0.7355 1.8550 0.6792 1.1865 1.0113 0.7395 1.3500 1.1606 1.1351 0.9894 0.7199 0.2965 0.7470 0.3023 0.2478 0.8370 2.0527 0.5498 1.0535 0.4806 0.5103 0.7563 1.0623 1.1557 0.8645 0.6132 0.2665 0.7325 0.8975 0.6357 0.6516 0.8111 1.5420 1.8111 2.3795 0.9986 0.8593 0.8518 1.4552 3.6865 0.9116 0.5367 0.7215 1.6287 0.9233 1.5741 1.2495 0.4648 0.8046 3.4917 1.8935 1.5887 3.7245 3.5604 1.8042 2.2090 0.9835 0.8075 0.6490 1.3282 1.0360 0.9300 0.9873 1.5223 1.1255 0.3222 0.2832 0.8450 1.7925 2.0062 0.6546 1.2105 1.7674 1.8240 1.3410 1.3148 0.5488 0.4700 0.4169 2.3434 1.9365 1.0986 1.5362 2.1250 1.3324 3.0496 1.7700 1.7163 2.2159 1.0115 0.5663 1.4980 1.5300 1.2602 1.0799 2.0556 0.8338 1.7586 1.2231 0.7094 0.6042
Omeprazole sulphone 0.0041 0.0040 3.7834 0.0084 7.3546 5.1873 0.0059 0.0063 0.0078 0.0063 0.0058 0.0056 0.0073 0.0058 0.0091 2.3877 0.0063 0.0075 0.0067 0.0075 0.0068 0.0070 0.0060 0.0068 0.0075 0.0067 0.0064 0.0068 0.0071 0.0066 0.0071 0.0063 0.0082 0.0082 15.9065 0.0067 0.0073 0.0065 0.0070 13.2553 12.4867 0.0065 0.0077 0.0068 0.0065 0.0075 30.3013 35.1513 0.0064 0.0094 7.8384 0.0037 0.0069 0.0070 0.0077 0.0085 0.0064 0.0057 0.0075 0.0066 0.0067 0.0079 0.0094 0.0059 0.0056 0.0078 0.0061 0.0038 0.0081 0.0069 0.0081 0.0067 0.0077 0.0058 5.9665 10.6434 0.0060 0.0066 0.0075 0.0082 0.0065 0.0067 7.2187 0.0067 0.0066 5.3258 0.0084 0.0078 0.0114 0.0069 0.0072 0.0063 0.0097 0.0064 0.0071 0.0099 0.0096 0.0061 0.0077 0.0070 0.0076 0.0075 0.0074 0.0063 0.0064 0.0074 0.0156 0.0046 0.0069 0.0065 0.0070 0.0067 3.9659 0.0063 0.0074 0.0071 0.0074 0.0119 0.0074 5.2166 0.0088 0.0074 0.0067 0.0064 0.0253 0.0043 0.0038 0.0038 0.0045 0.0040 0.0041 0.0042 0.0045 0.0048 0.0050 0.0045 0.0042 0.0043 0.0043 0.0042 0.0046 0.0042 0.0041 0.0042 0.0043 0.0043 0.1544 0.0043
O-Palmitoyl-R-carnitine 0.9036 1.1183 0.7277 0.5002 0.5782 1.2673 1.0771 1.2179 0.9431 0.9454 0.5833 0.6586 2.1165 0.8503 1.6146 0.7431 1.0102 0.5253 0.6424 0.7161 0.6432 1.1311 0.7995 0.7522 1.0950 0.7915 0.9202 0.7580 0.8118 0.7160 0.6681 1.2082 1.3384 1.1843 1.2387 0.5343 1.0460 0.9119 0.9048 0.3847 0.7242 1.0078 0.6830 0.7692 0.6618 0.7537 0.8865 0.6846 1.4289 0.9048 1.0575 0.7391 0.4163 0.7347 1.0832 1.1771 0.9119 0.5618 0.8757 0.6828 0.4843 0.6426 0.6672 1.0107 0.6836 1.3716 0.7815 0.5458 0.5527 0.8888 0.6130 0.6620 1.0011 0.5208 0.8718 0.9630 0.6832 0.7373 0.6954 1.0042 1.1186 1.9624 1.3293 1.0983 0.9709 1.3705 1.8054 0.8209 0.8670 0.8133 1.0833 1.0391 1.4840 1.6767 0.8460 1.5284 1.4071 1.1531 1.3262 1.2675 1.4355 1.8639 1.2517 1.4940 1.1357 0.7904 0.8924 1.3756 1.1181 0.7819 1.2010 1.0585 0.7088 0.5710 0.9038 1.4582 1.2411 1.0708 0.8927 1.1154 1.2136 1.7616 1.2450 0.5103 0.5275 1.0845 1.8460 1.1010 0.8900 1.4043 1.0126 1.2255 1.4311 1.0800 1.5110 1.3093 1.1325 0.9207 0.8723 0.9162 1.1951 0.7528 1.1393 0.8106 1.1081 1.2330 1.4615 0.7259
O-Propanoylcarnitine 1.1613 0.7419 0.7924 0.4827 0.8078 1.3630 1.5872 0.6508 0.6650 0.3863 1.7403 1.2153 0.8807 0.7162 0.2092 1.2329 0.5825 1.3352 1.4668 0.8367 0.5850 0.9949 1.1544 0.9414 0.5087 0.8982 2.0206 1.1812 1.1402 1.7735 1.1389 0.9121 1.1376 1.0628 2.2612 0.5037 1.4030 0.6277 1.4441 1.4269 1.8176 1.6358 1.1922 0.8367 1.7485 0.6612 0.8838 0.7219 1.0794 0.7026 1.5364 1.4780 0.7583 0.8339 2.3167 1.8003 0.8441 0.9413 0.0033 1.2645 1.3961 0.6565 1.2829 0.6857 0.9083 0.6178 0.9502 1.0515 1.2951 0.8090 1.0025 0.7577 1.7876 0.8067 1.2841 1.0371 1.2892 0.7256 0.9742 0.5843 1.7882 1.3723 1.0014 1.1102 1.0308 0.5795 0.9102 1.6621 0.8187 1.4225 1.3419 1.1793 1.0385 0.7400 0.8977 0.5771 0.6366 0.6204 0.7810 1.1797 1.0600 1.2684 1.0286 1.0996 0.7739 1.4513 1.3263 1.1460 0.6663 0.9892 0.9225 0.7133 0.7225 1.2897 0.9579 0.8453 1.0754 1.2859 1.5725 0.6431 1.4745 1.4900 1.3143 0.8216 1.9170 0.5851 1.0737 0.5778 0.6792 1.1416 0.9920 0.8854 0.9468 0.8011 1.5622 1.2227 1.6364 0.6183 0.8869 0.7280 1.1623 0.8455 0.6113 1.4570 0.9015 0.9165 1.0070 1.0759
Oxazolidine E 0.9101 0.7471 0.9734 0.3715 0.4858 0.7005 0.5137 0.5038 0.5721 0.6295 0.8577 0.6522 0.8820 0.8944 0.5440 1.4097 0.7509 0.6479 0.7564 0.7638 1.0735 0.8232 1.3231 1.0850 0.2940 0.4209 0.9704 0.7551 0.8513 0.9370 0.9524 0.6049 0.8774 0.8776 0.9741 5.0092 0.7781 0.5954 0.9716 1.1822 1.8616 2.1633 1.1939 1.0493 1.1122 0.8762 0.4959 0.4462 0.3039 0.8472 0.8723 0.9934 0.8653 0.9783 1.1966 0.9173 0.6987 0.6498 0.5100 0.8136 1.0554 0.6817 0.8156 0.7943 1.2265 0.1350 0.9934 1.1421 2.1072 0.8489 0.8914 1.0010 0.8606 3.7060 1.2055 1.4302 0.9381 0.8636 1.2426 1.2823 0.8489 0.7726 0.6523 1.5111 0.4939 1.1096 1.0746 0.9680 0.9618 0.2863 0.7423 0.6463 1.2413 1.1254 1.0993 1.0974 0.4353 0.4763 1.6668 1.0312 1.0719 1.4890 1.2079 0.8776 1.0041 1.2484 1.1751 1.1397 0.9108 0.8571 0.8747 1.0000 0.8480 1.0000 0.9905 1.3036 1.1419 0.9809 1.2596 1.0207 1.0050 2.0147 1.3590 1.2443 0.6070 1.3003 1.2585 1.4934 1.1243 2.7745 0.7654 0.7968 1.0791 1.0742 1.3054 2.1718 1.3383 0.5490 1.9398 1.0436 0.2881 1.5040 1.9972 1.6434 2.1337 1.5240 0.9947 0.9635
Palmitoleicacid 0.6787 0.0921 1.2446 0.7164 0.9849 0.9926 0.6124 0.7567 0.3340 0.2658 1.4810 1.3097 0.8372 1.4157 1.4378 1.5016 0.4827 1.1310 0.3187 1.0513 0.5090 0.8994 0.4874 1.2010 0.3413 2.0155 0.4300 2.5034 0.6582 0.4914 0.3820 0.9819 1.6790 2.1108 0.7486 0.8878 1.0321 0.7639 1.2810 0.6850 1.3386 3.4641 0.4800 0.8032 1.5309 0.4112 1.5558 0.8688 0.3244 0.4641 2.1957 1.3532 1.3473 0.5524 1.1836 0.6534 2.0658 0.3565 1.1384 1.5288 0.6370 0.3985 1.4917 1.0136 0.5079 0.4454 1.2041 1.5321 0.5321 0.6347 0.6057 0.9241 1.0951 0.6743 0.7002 0.6143 0.7930 0.8538 0.6774 1.1005 0.7961 0.9006 1.7326 2.2146 0.6002 1.5130 0.5996 0.6234 1.2566 2.2063 0.6276 0.2313 1.6555 2.2979 0.7811 0.8692 1.2470 0.8404 1.5344 1.6324 0.8603 1.2030 0.8476 0.2252 0.8249 0.8070 0.8102 0.8829 0.3183 0.4075 1.5552 0.6146 0.4651 0.4979 1.2188 0.9813 1.8749 1.4634 0.4932 0.9721 0.9545 1.9221 0.8329 1.0479 1.1185 0.8661 1.8929 3.7756 0.6351 1.6826 0.2671 1.0839 0.9330 1.4549 0.7241 0.6106 0.4608 0.9439 2.4681 1.2699 0.7352 1.1516 4.9131 0.5760 0.2169 1.8975 0.8263 1.5227
Pantetheine 0.9648 1.4926 1.1760 1.9189 1.4139 0.8923 0.9489 1.0750 0.1045 0.3863 2.1251 0.0885 0.6811 0.3609 0.9907 0.0910 0.9884 1.9758 2.0622 0.0991 1.7629 1.7889 1.6557 0.0177 0.7240 1.0755 0.1295 1.0716 1.1384 1.4007 2.0061 1.1602 0.1898 1.7727 1.9684 1.3998 0.4223 1.1815 0.2335 1.5951 0.9715 2.2634 1.6745 2.0444 1.8394 2.1512 0.4465 1.0669 0.1030 0.2434 1.2763 1.9599 0.1105 1.0092 0.5809 1.3038 0.8256 1.4224 0.2044 0.1304 1.9034 1.3793 0.6533 0.1083 0.5694 0.0067 0.4505 1.5167 0.8033 1.1069 1.8254 2.0368 0.8685 1.2124 1.9158 1.7942 1.8875 1.9783 1.1122 0.8301 1.0200 1.2245 0.2126 0.1644 1.3343 1.6931 0.0573 1.0885 1.2737 1.1138 0.1895 1.4079 0.9458 0.9688 0.6144 1.2769 0.6830 1.4162 0.6969 0.4168 1.0946 0.0772 1.0765 1.0607 1.0853 1.1156 1.4249 1.2439 1.5875 1.7592 1.1084 1.6467 1.9960 1.8689 1.8504 0.7446 1.7160 1.0455 1.4176 0.3515 0.8102 0.3512 1.1342 1.5834 1.8835 1.4620 0.0063 0.2245 0.0067 1.4369 0.7354 1.0180 0.8457 0.4406 0.6916 0.8549 1.1682 0.8408 0.9856 1.1605 1.4863 0.9089 0.8320 0.4290 0.1490 1.5601 0.9883 0.9935
Pantothenicacid(VitaminB5) 1.1596 2.7834 0.5550 0.8822 0.6068 1.2394 1.0286 1.3766 0.5466 1.8467 1.5303 0.5299 0.1713 0.7789 0.7546 0.4237 4.5453 2.2693 2.9478 0.5842 1.9651 0.6686 1.5103 2.7775 1.6903 0.8114 0.4243 1.0899 1.1374 0.9324 6.5594 0.3815 0.3431 0.3658 4.0582 1.7530 0.7787 1.3659 0.8359 5.4883 1.1989 0.9803 0.6442 1.8761 0.9768 1.0443 0.3201 0.2816 0.5630 1.0608 0.6208 1.8436 0.6919 1.0980 1.8653 2.5600 0.5583 0.1619 0.7391 0.4907 0.8385 0.5358 0.5466 0.3861 1.0124 1.5744 0.5841 1.0273 0.9895 0.9572 0.3720 0.2143 0.6868 2.1044 0.5959 0.4992 0.6557 0.3386 0.3980 0.3440 0.4297 0.7222 1.0192 0.4701 0.7503 1.3568 0.2970 0.3868 1.2570 0.4603 0.3510 0.6582 1.4866 2.0370 0.6531 0.3952 0.2799 1.3625 0.5844 0.8413 0.3239 7.5721 0.7413 0.3071 0.9391 0.9265 2.0535 0.3994 0.4123 1.9943 1.7434 0.2147 2.1486 0.4824 0.8286 0.6251 0.4849 0.6648 0.8033 0.3783 0.5669 0.8163 0.6884 0.4743 0.4435 1.1302 0.7554 1.0272 0.4502 2.4419 0.3734 1.2549 0.3995 0.9087 0.2965 0.9798 0.5207 2.0096 0.7435 0.6176 0.7499 0.4523 1.1580 1.0326 0.8971 6.6150 0.5517 0.7584
Paraxanthine 1.2377 0.2158 1.6891 0.1524 1.9088 0.6734 1.5810 0.3391 0.2290 0.0161 0.2872 0.9976 0.2097 0.0743 1.1804 0.2731 0.0639 0.7484 0.2060 0.9217 1.0864 0.2988 0.4041 0.0086 0.5335 0.3165 0.6253 0.3764 1.1515 0.4499 2.7686 1.1783 0.0797 2.0894 1.2577 0.4485 0.8978 0.4642 2.1481 1.2905 1.4476 2.7848 1.5183 1.0353 0.7299 0.6705 1.5263 1.7900 0.7236 0.8749 1.1025 0.9458 1.0428 0.7920 0.0624 0.4774 1.5595 0.3385 1.2780 1.4181 1.9784 0.9454 1.0961 0.0381 0.1366 0.9326 0.4333 2.1557 0.0404 0.0775 1.5228 0.8687 0.0014 0.2095 0.2417 1.6924 2.2253 1.9681 0.9887 2.8902 1.1096 1.1233 1.9497 0.0020 0.4743 0.2639 0.0103 0.7088 0.7084 2.2787 1.1374 0.6390 0.6069 0.4686 1.8941 0.9235 1.1819 0.4347 1.2248 1.1791 2.0021 9.8478 0.5293 0.8668 2.5373 0.3535 3.2002 1.0734 0.2171 0.6607 1.9760 0.0392 0.2510 0.3629 1.5450 3.1214 2.3666 0.0011 0.8291 0.6257 3.3473 0.5524 2.1940 0.6485 0.0046 0.5547 0.0005 0.2862 0.0176 2.1151 0.4269 1.0943 0.1607 2.7746 0.2035 1.6273 0.7239 0.1079 2.4985 1.6692 0.4149 1.5443 1.0920 0.9996 0.2530 0.6157 1.1993 0.9591
PE(17:0/22:4(7Z,10Z,13Z,16Z)) 0.9531 1.0992 1.1320 1.0960 0.9086 1.0932 1.0742 1.0736 1.2697 1.3485 1.1113 1.2075 1.5959 1.1670 1.9290 1.2754 1.7607 0.9665 0.7961 0.9704 1.1768 1.0821 1.0023 1.3322 1.4336 0.7851 1.3389 0.8542 0.8231 1.0490 1.1108 1.4199 1.3022 1.3166 1.9058 1.2758 1.1159 1.2212 1.8439 1.3380 0.7630 0.7455 1.0045 1.0560 0.9234 0.9187 1.1577 1.1528 1.3045 1.0947 0.8814 0.8266 0.7915 1.0490 1.0233 0.9182 1.4114 1.3644 1.0137 0.8712 0.8768 0.9971 1.2060 1.6034 0.8538 1.0045 1.2729 1.0797 1.2052 1.3081 0.8654 1.0073 1.7911 1.2384 1.2257 0.9981 0.8455 1.2404 0.8369 0.9209 1.1866 0.7477 0.7881 0.8966 0.5260 1.9423 0.8004 0.8016 0.9585 0.9719 1.0454 1.1003 1.0096 0.6462 0.6294 1.3624 1.5461 1.3187 0.2089 0.4612 0.9736 0.9101 1.0222 0.7751 0.9814 1.1239 0.7661 0.6531 1.3528 0.8641 0.8624 0.7512 1.3703 1.0408 1.1450 0.6198 1.1812 0.8533 0.9908 1.0218 1.1329 0.7736 0.8645 1.2870 1.3464 1.2870 1.0336 1.4138 1.1306 0.7106 0.8217 1.0956 1.0188 1.2301 1.0389 0.9430 0.8400 0.8503 1.2132 0.6772 0.9556 0.6786 1.1156 0.3715 0.9722 0.9593 0.9832 0.5810
PE(17:1(9Z)/22:2(13Z,16Z)) 1.1729 1.0448 1.0193 0.8864 1.4055 1.3949 1.0281 0.7194 1.4400 0.6097 1.4379 1.2223 0.9268 1.0102 0.1067 1.1141 0.3197 1.6931 1.2600 1.3543 1.7347 0.7632 1.2421 0.9740 0.6514 1.2614 1.1597 1.4848 0.6395 2.0121 1.5499 0.1741 1.5083 0.9593 0.2467 1.2933 1.6420 0.9920 1.2282 1.5504 1.5396 1.5054 1.3050 1.4582 1.2635 1.1142 0.1544 1.4275 0.9981 0.9602 1.4509 1.4649 1.6091 0.9288 1.7295 1.8636 0.8304 1.1035 0.8681 1.4902 1.3451 1.5521 0.1097 1.2694 1.0799 1.1905 0.2412 1.0301 1.7959 0.8825 1.3984 0.7638 0.5579 1.5218 1.6230 1.1988 1.8027 2.5329 1.7592 0.2060 0.9545 0.0526 0.4818 0.1620 0.3236 0.3925 0.4064 1.3924 1.0092 0.8573 0.9965 0.9028 0.5897 0.4186 0.3424 0.7491 0.8579 0.8931 0.0966 0.4120 0.1507 0.7566 1.1851 0.6326 0.9080 1.3706 0.9872 0.4116 0.8635 1.9476 0.7996 1.2281 1.0303 0.9377 1.2724 0.4297 0.8968 0.7012 1.4636 0.8407 1.0335 0.8877 0.9624 0.8491 0.8879 0.1533 1.0620 1.2878 1.3075 0.1059 0.7800 1.2520 0.3064 0.9287 1.6325 0.6430 0.5467 1.1584 0.8811 0.5473 1.1533 0.5244 1.2123 0.2935 0.7749 1.0775 1.4013 0.7282
PE(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 0.8207 1.0127 1.0620 1.4068 0.9226 1.4190 1.1306 1.0493 1.4933 1.1719 1.0712 1.0403 1.3395 1.1475 1.0095 1.2346 1.3826 0.9018 0.8807 0.8042 0.9228 1.0805 0.8201 2.5012 1.1331 0.6839 0.9981 0.9237 0.7410 1.4004 0.8227 1.2183 2.3251 1.2016 1.3574 1.1765 1.1314 0.9900 1.5549 1.3084 0.6941 0.8471 0.9722 1.0262 1.0911 0.8236 1.2495 1.5951 1.0953 0.9324 0.8172 0.7170 0.6963 0.8708 0.9782 0.8833 1.4261 1.7879 1.5406 1.0914 0.7459 0.9399 2.4377 1.3057 0.7785 0.8367 1.4374 0.9495 1.8780 1.7507 0.9186 0.7897 1.6337 1.0080 1.1558 0.7411 1.0295 0.9824 0.6776 1.0748 1.1882 0.7096 0.5231 0.7395 0.3952 1.2637 1.1965 0.6826 1.1749 0.7978 1.2760 0.9853 0.9551 0.6797 0.4979 1.2395 1.2074 1.3247 0.2160 0.3816 0.9161 1.1148 0.9482 0.6910 0.9062 0.9921 0.8073 0.5768 1.1174 0.9535 0.7449 0.9740 1.1001 1.0267 0.6108 0.7145 1.3192 0.5053 0.8120 1.9988 0.8723 1.1765 0.9297 0.9158 1.6573 1.0456 1.1684 0.7877 1.3908 1.1348 0.9955 0.9494 0.9350 1.5136 1.7587 0.7775 0.6516 1.5630 2.1003 0.7790 0.5682 0.7145 1.0047 0.2570 0.8062 1.1668 1.0088 0.5690
PE(20:2(5Z,8Z)/18:0) 1.2261 1.1999 1.1490 1.2251 1.3137 1.3093 1.5769 0.8845 1.5030 0.9326 1.3318 0.8707 1.0204 1.0365 0.4089 0.7511 0.7018 1.4873 1.8230 0.9510 1.4608 1.1694 1.5621 1.4337 0.9909 1.6106 1.1464 1.1742 0.8469 1.4423 1.6992 1.0128 1.2431 1.1314 1.1449 1.3515 1.4149 1.2298 1.0036 1.2806 1.2175 1.0460 2.0470 1.6977 1.5331 1.0848 0.6897 0.8495 0.9909 0.8753 1.3722 1.6985 1.1502 1.0725 1.4146 1.8862 0.9595 1.1934 0.6856 1.0049 1.3117 1.3553 1.2380 1.2309 1.3629 1.4396 1.0108 0.9699 1.8531 1.0442 1.0803 1.0052 1.2325 1.7325 1.5464 0.8182 0.9901 1.2352 1.6723 1.1463 0.8460 0.3746 0.3552 0.6364 0.1999 0.6517 0.2600 1.1948 1.1618 0.7400 1.0337 0.9929 0.5330 0.3749 0.2649 0.6451 0.8815 1.2540 0.0654 0.3403 0.9801 0.6267 1.0273 0.4177 1.0724 0.6700 0.5076 0.2159 0.7484 1.2868 0.8656 1.2908 1.1591 1.0689 1.1040 0.3305 0.9706 0.4424 1.2136 0.8781 1.7703 0.6176 1.3413 1.2861 1.2954 0.9402 1.2602 1.5494 1.2913 0.1957 0.7505 1.0715 0.5245 0.9686 1.0561 0.5838 0.4962 1.0944 0.8188 0.6894 1.5400 0.3336 0.9169 0.2008 0.6594 1.2114 1.1341 0.6464
PE(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 0.8292 0.7403 1.5220 2.1394 1.3983 0.9336 0.9748 0.8145 1.0351 0.7145 0.6358 1.0867 1.4135 1.5226 0.4389 2.2072 1.1317 1.3143 1.5236 0.6481 1.3004 0.9323 1.0769 0.9634 0.7520 0.6946 1.5789 1.5902 0.6593 1.7899 0.8819 0.6621 2.8387 2.5038 1.0090 1.4066 1.5282 1.5733 2.9290 2.6374 1.8965 0.8011 1.3568 0.7762 1.7728 0.4893 1.2781 1.5695 1.0108 1.0296 0.9181 0.5714 1.5612 0.9695 1.9631 0.6178 1.7361 0.8121 1.8395 2.0882 0.8968 0.8403 1.5297 1.4679 0.4387 0.8853 0.8133 0.4702 3.5949 1.5587 1.1413 1.3011 3.9675 1.7548 1.2899 0.9462 2.1809 0.8597 1.1668 0.6078 0.9081 0.2464 0.2638 0.3745 0.1266 1.0422 0.4973 0.6979 0.8330 0.6561 0.8954 0.7900 0.3216 0.1813 0.1988 0.5840 0.7488 1.4161 0.1097 0.1383 0.5018 0.6063 1.2174 0.3953 0.6439 0.8635 0.4415 0.2571 1.0850 1.2649 0.4059 1.1134 1.9724 1.5475 0.9315 0.2137 1.9019 0.2663 0.6663 4.1755 0.6179 0.5196 0.6420 0.7671 2.9624 0.8474 1.1773 0.8401 0.9783 0.4654 0.7535 0.8575 0.3958 1.0976 1.1310 0.2827 0.3259 1.1319 1.3379 0.3969 0.6082 0.2651 0.5063 0.0842 0.4131 0.7266 0.9281 0.3287
PE-Cer(d14:2(4E,6E)/23:0) 0.7119 1.0325 0.9699 1.8104 1.8138 1.2631 1.0168 0.8921 1.0651 1.4541 1.5830 1.6636 1.6293 1.9854 0.9791 1.4489 1.1756 1.8222 1.6384 0.8482 1.3834 0.9600 1.0754 1.7067 1.8556 0.8055 0.6559 1.5207 1.6294 1.3584 1.7692 1.0172 1.0229 0.8774 1.0873 1.8549 1.0770 1.8264 1.0894 1.8338 1.7114 1.6852 1.7090 1.5836 1.3340 1.2545 1.5499 1.1140 0.9621 1.1618 0.9834 0.8586 1.0672 1.4798 1.1226 0.9810 1.6221 1.7370 0.8990 1.2971 1.5647 1.1609 1.5270 1.9095 1.3272 0.8200 1.0951 1.6221 1.9488 1.1219 1.6722 1.9885 0.7944 2.4902 1.4825 0.7264 1.6808 1.5045 1.3732 0.9056 1.3217 0.3681 0.2876 0.9674 0.1473 1.3423 0.3207 1.0387 0.7685 0.5285 0.7498 0.8350 0.4713 0.4085 0.2755 0.7635 1.1941 1.0607 0.1030 0.1795 0.5122 0.3716 0.8407 0.4606 0.9241 0.8392 0.4498 0.2450 0.8551 0.8891 0.3784 0.8767 1.3654 0.8806 0.7024 0.2723 0.8256 0.8425 0.7963 1.5075 0.8294 0.3677 0.4765 0.5803 1.8533 0.5442 1.1281 0.6985 0.7017 0.3388 0.4031 1.0230 0.1791 0.9645 0.4996 0.2829 0.2117 0.6171 0.9717 0.3604 0.5931 0.2434 0.6318 0.0793 0.3442 0.4851 1.2102 0.1808
PE-NMe(18:1(9E)/18:1(9E))1 1.1843 1.0554 0.9926 1.2104 1.1867 1.2719 1.1468 1.0300 1.3204 1.1923 1.2101 1.3639 1.4369 1.1376 0.6555 1.0404 0.9112 1.2054 1.2555 1.1303 1.4305 1.0437 1.2023 1.3420 1.0924 1.4890 1.2515 1.0309 0.8780 1.4252 1.4429 1.0038 0.9838 0.9927 1.1833 1.3078 1.2947 1.4007 1.1338 1.3272 1.1624 1.3064 1.2341 1.1905 1.3502 1.3661 1.0462 0.9704 1.0625 0.9947 1.2173 1.0610 1.1932 1.1667 1.2979 1.2652 1.2381 1.2040 0.9382 1.0815 1.4969 1.4385 1.2647 1.4058 1.1358 1.2930 1.1442 1.2239 1.4014 0.9442 1.0967 1.0629 1.2976 1.4325 1.2793 0.9185 1.2150 1.3644 1.4032 1.1226 0.9174 0.5133 0.6858 1.0929 0.3230 0.9912 0.4458 1.2390 1.0535 0.7004 1.0124 1.0668 0.7956 0.4972 0.4490 0.9421 1.1418 1.0273 0.0901 0.3961 1.0065 0.7834 1.0234 0.5743 1.1456 0.7737 0.6413 0.3915 0.9970 1.0154 0.7748 0.9173 1.4295 1.0372 1.1649 0.5196 0.9061 1.0008 1.1788 0.9097 1.6349 0.8588 0.8271 1.3460 0.9644 0.7906 1.2709 1.4336 0.9695 0.6599 0.6431 1.3161 0.4799 1.0088 0.9240 0.7666 0.4138 0.9130 0.9185 0.7433 1.1437 0.5019 1.2360 0.1787 0.6688 1.0343 1.1020 0.6293
PE-NMe(18:1(9E)/18:1(9E))2 1.2503 1.1826 1.0349 1.0977 1.1862 1.6111 1.2857 0.8988 1.5064 1.1907 1.1339 1.2088 1.7226 1.2229 0.3867 1.1801 0.9760 1.2462 1.2330 1.1336 1.5412 0.9601 1.3400 1.5523 1.1003 1.6432 1.4840 0.9994 0.8030 1.4817 1.5813 1.0515 1.1146 1.1131 1.3830 1.1951 1.5650 1.3741 1.1991 1.1506 1.2037 1.2615 1.0838 1.1264 1.5008 1.3158 1.0793 1.0785 1.1396 1.0754 1.3914 1.2851 1.2063 1.2632 1.5622 1.4652 1.2013 1.2859 0.9198 1.0416 1.3213 1.7848 1.2629 1.4597 0.9993 1.3897 1.4609 1.2232 1.3664 1.1284 1.0436 1.0385 1.5533 1.3811 1.4507 0.7214 1.1378 1.2095 1.5862 1.0344 0.7319 0.2399 0.3600 1.1007 0.1223 1.1520 0.2319 1.1458 1.0411 0.4778 1.0921 1.1864 0.4823 0.1919 0.2064 0.6907 1.1334 1.1762 0.0086 0.1771 0.7705 0.4482 1.1333 0.3169 1.3650 0.7668 0.3364 0.1916 0.9402 1.2118 0.3735 0.6784 1.4807 1.0319 1.4201 0.2421 1.0128 0.2122 1.2299 1.0127 1.9557 0.4728 0.5983 1.4125 0.8350 0.5843 1.3375 1.8174 1.0529 0.3830 0.3371 1.4881 0.2588 1.0330 0.6845 0.4525 0.2405 0.8568 0.8764 0.4704 1.1351 0.2862 1.2480 0.0989 0.3521 0.9886 1.2589 0.5388
Pestalotiopamide E 0.9391 0.8116 1.0205 0.5266 1.0104 1.4990 1.0391 0.6347 1.0414 0.7485 1.1775 0.7789 0.8667 1.0572 1.3058 1.2921 0.9095 1.7546 0.9532 1.3124 0.8620 0.6653 0.7218 0.7996 0.7760 1.5530 0.9892 1.1710 1.0160 1.8707 1.1090 0.9781 0.6657 0.5973 1.8686 0.6747 1.0618 0.6512 1.5649 0.8970 1.0841 0.8823 0.7766 0.7865 1.1928 0.5167 1.0767 0.7100 1.3556 0.8873 1.0668 0.8696 0.8762 0.8702 2.3692 1.5959 0.7970 0.5820 1.0562 1.1081 1.0466 1.0966 0.9125 0.7533 0.7807 0.9569 0.6292 0.5691 0.8458 0.6806 1.1292 0.9909 1.5541 0.4846 0.9878 1.1690 1.4422 1.2414 0.7897 0.7724 0.9489 1.0330 1.7218 1.6884 1.5169 0.8876 0.9850 0.9718 0.7915 2.3224 1.2758 1.0568 1.2502 0.7109 1.1280 1.5150 0.9820 0.7045 0.9439 1.3960 0.9547 2.0249 1.0329 1.3835 0.8419 1.6973 1.3078 0.8627 0.6089 0.8005 1.4517 0.8430 0.6781 0.6504 1.3024 1.2025 1.1217 1.7872 1.4213 1.1620 2.1185 2.0943 1.2051 0.9955 1.2190 1.4859 1.6622 1.0051 0.6857 1.8316 1.0220 0.7921 0.5929 1.2460 1.4087 2.2300 1.4662 1.1177 0.9870 1.2724 1.1600 1.1276 0.8908 1.6475 1.2441 0.8606 0.6093 1.3889
PGF2alpha dimethyl amide 1.0088 1.0221 0.9014 0.2233 0.1667 0.2037 1.0674 0.8409 0.2452 0.2801 1.1016 0.5099 1.1679 0.7442 1.0363 0.8764 0.3051 0.1821 0.3305 0.6714 0.7742 2.3419 1.7011 0.7358 1.1331 0.1579 0.3187 0.5791 0.5686 0.2694 0.7995 2.2497 0.2441 0.4967 0.6308 0.2235 1.0253 0.9406 0.5683 0.1943 0.8338 1.0232 0.8061 1.4266 0.5374 1.1857 0.7588 0.6001 1.6628 1.2081 1.3634 1.0207 0.4700 0.9227 1.6247 2.1215 0.2993 0.4661 0.2093 0.3902 0.2853 0.5071 0.7554 1.0307 0.6647 1.4554 0.9947 0.7820 0.8090 1.0492 0.3455 1.2492 1.9006 0.2449 0.6783 1.3424 0.2993 1.3825 1.0252 0.6462 0.9968 1.5914 0.5366 1.9491 0.3466 0.8689 2.0211 0.6890 0.2470 0.7675 0.6191 1.0529 0.8040 0.6778 0.3543 0.3048 1.5166 1.3266 2.6092 1.9400 2.8314 0.1995 1.0049 1.3865 1.3078 0.4454 0.5571 0.9524 0.6030 1.5145 1.3793 0.5883 0.4724 0.5246 1.5898 2.9026 1.9675 0.6000 2.1656 1.6377 1.0510 0.8273 0.9492 0.4489 1.1606 1.0038 2.2859 0.9983 0.7292 1.1997 1.0449 1.8668 1.7430 2.8061 3.0755 5.2699 2.4486 0.7870 0.9950 1.5527 2.3717 0.4399 1.1321 2.6199 2.9824 1.6562 0.9614 0.5123
Phenacetin1 0.1052 0.0889 0.0900 1.1387 0.7360 0.3169 0.3332 3.3591 0.3118 0.5237 1.1443 1.1623 2.8583 0.1941 9.6897 0.1221 0.7507 0.0982 0.0995 1.4250 1.2014 0.9658 0.8372 0.1096 0.0880 0.5764 0.0928 0.0992 1.3573 0.1316 0.2632 4.8547 0.3662 0.4956 1.5350 0.1039 0.1996 1.3980 0.1828 0.7633 0.7176 23.6937 0.0910 0.4091 0.4745 10.0517 0.1083 0.1148 0.0950 0.8812 1.0337 0.7873 0.0981 2.6170 0.7113 0.7652 1.4763 6.8355 0.1102 0.1391 3.2039 7.5587 0.0891 0.2261 0.8845 0.8284 0.1321 0.7655 0.1039 0.2164 0.9801 2.3413 0.1997 1.0245 0.1923 0.8677 4.1665 5.7155 0.5724 1.7255 0.3007 3.8080 0.2283 0.0989 1.5970 6.4888 0.1197 0.0883 0.1435 0.7369 0.4340 0.1004 0.1959 0.2945 0.1236 0.6937 0.1575 0.6421 0.4027 0.0994 0.8493 0.0984 0.1699 1.2717 0.2583 0.9003 0.7195 0.6923 3.1086 0.8415 1.2556 7.6650 1.0964 0.8104 2.0173 0.3830 1.2684 1.6479 0.1194 0.1053 0.4357 0.1700 0.5170 0.1113 1.5550 0.5384 0.2839 0.0864 0.0929 0.0883 0.5659 0.1251 0.1991 0.0997 0.1133 0.0969 0.1383 0.0973 0.3493 0.1143 0.0934 0.0844 0.0974 0.1013 0.0741 0.0902 0.1488 0.3394
Phenacetin2 1.5268 1.0547 1.3744 0.9726 0.7926 1.1875 0.8949 0.8728 1.6757 1.2496 1.2421 0.6129 0.7809 1.4756 0.9661 0.9552 1.3007 0.9838 1.0097 0.8689 0.7023 1.1350 1.1472 0.9877 0.8357 0.7723 0.9814 1.5954 1.4081 1.2788 1.3154 1.4110 0.3728 0.4159 0.9959 0.4272 1.0717 0.7032 1.1550 1.4626 1.3697 1.3506 1.2630 1.0020 1.1282 0.9623 1.0020 0.8144 0.8945 0.5590 1.0169 1.0342 0.8242 0.9612 2.1253 2.0049 0.7810 0.8381 0.9314 0.7456 1.0498 0.8618 0.9808 0.8105 0.7913 0.8531 0.7184 0.7400 0.7936 0.6550 0.8584 0.8443 1.2514 0.7693 1.5072 1.0919 1.5537 1.1879 1.4250 1.3909 0.8833 1.2092 1.2800 1.1631 1.2789 0.7153 1.3722 0.8285 1.1782 2.0920 0.7229 0.5600 1.2723 1.2242 1.2113 1.3723 1.0510 0.6901 1.6401 1.3204 1.4923 1.4292 1.1613 1.0577 0.7857 2.2402 2.2267 1.0162 0.5283 0.7297 1.8446 0.9706 0.9831 0.7739 0.8584 0.6146 1.1123 1.4840 0.9205 0.7283 1.1381 1.4431 0.9566 0.6754 0.7076 0.8872 0.4522 0.6654 1.0784 0.9736 0.6765 1.2200 0.7688 0.5115 1.4089 0.9599 1.4399 0.6435 1.5316 0.8436 1.2809 0.8504 0.6549 1.6337 0.9068 0.5465 0.9216 1.1737
Phenylalanine 1.1890 0.8678 1.0905 0.5709 0.8943 1.0215 1.1102 0.5800 1.0501 0.8051 0.9358 0.8193 0.6775 0.9534 0.7335 1.1360 0.7341 0.8445 0.8189 1.2328 1.0291 1.2296 0.9439 0.9209 0.8596 0.8045 1.1020 1.1650 0.9642 1.4708 0.9495 0.8591 0.8024 0.5708 1.0452 0.6648 1.0778 0.6852 1.0880 0.9601 1.1786 1.0041 0.9389 0.8665 1.1394 0.7241 0.9703 0.8226 1.4359 1.0274 1.3810 0.8979 0.9802 0.7787 1.2817 1.2347 0.9378 0.7225 1.6234 0.9908 1.0876 0.7091 0.8361 0.7195 0.9076 0.9164 1.0772 0.8797 0.9411 1.0621 0.9560 0.8302 1.1718 0.6507 0.8396 1.1077 1.0929 0.8497 1.0896 1.0642 1.1035 1.0760 1.3618 1.5028 1.1172 0.6996 1.0377 1.5398 1.0394 1.3341 1.1747 1.0641 1.0754 1.0906 1.1085 1.0319 1.0714 0.9012 1.2383 1.3115 1.1416 1.2448 0.9792 1.2707 0.9685 1.7138 1.3453 1.2204 0.9067 0.8795 0.9588 0.9501 0.4700 0.8158 1.2254 1.3599 1.2272 1.0255 1.1020 1.3477 1.0922 1.5042 1.1389 1.1373 1.1331 1.0568 0.9843 0.9112 0.9697 1.2750 1.0370 1.0259 1.1505 1.2867 1.2546 1.5282 1.3699 1.1856 1.3467 1.3727 1.0041 1.0833 0.9701 1.3642 1.2157 1.1783 1.0647 1.0451
P-Hydroxyphenyl-acetamide 28.9162 0.2570 0.0343 0.0314 4.6008 1.8839 0.0279 0.0233 0.0326 0.0260 0.0335 0.0346 0.0362 0.0280 0.0344 0.0349 0.0304 0.0365 0.0343 0.0254 0.0387 0.0282 0.0283 0.0355 0.0284 0.0318 0.0326 0.0330 0.0288 0.0498 0.0547 0.0269 0.0342 0.0300 0.0440 0.0348 0.0314 0.0349 0.0342 0.1277 0.0519 2.2722 0.0367 0.0342 0.0352 0.0319 15.4622 14.1301 0.0301 0.0265 0.0339 0.0270 0.0337 0.0354 0.0355 0.0387 0.0330 0.0324 17.8464 0.6808 0.0344 0.0389 0.0369 0.0358 0.0328 0.0312 0.0326 0.0339 0.0408 0.0288 0.0296 0.0296 0.0369 0.0366 0.0347 6.5386 0.0337 0.0376 0.0320 0.0265 0.0232 13.5161 0.0340 0.0386 0.0235 0.0278 0.0195 0.0311 0.0274 0.0220 0.4898 0.0296 0.0248 0.0239 0.0257 0.0411 0.0320 0.0338 16.8436 0.0236 0.0279 3.1365 0.0328 0.0206 0.0303 3.7196 0.0258 0.0189 0.0271 0.0319 0.0215 0.0314 0.0353 0.0302 0.0356 0.0205 0.0288 0.0211 0.0300 0.0283 0.0950 0.0255 0.0487 0.0282 0.0360 14.3379 0.0271 0.0296 0.5762 0.0458 0.0195 0.0286 0.0188 0.7458 0.0238 0.0232 0.0186 0.0281 0.1217 0.0206 5.3873 0.0176 0.0232 0.0239 0.0192 0.1741 0.7722 2.3793
PI(18:0/20:4(5Z,8Z,11Z,14Z)) 0.9350 1.2921 0.9036 1.3195 1.2593 1.3240 0.9047 0.8280 1.3236 0.5555 1.8637 1.5922 1.9660 1.1757 0.4052 0.9280 1.2764 1.7684 1.3062 0.5258 1.6876 0.7613 1.2765 1.1855 0.6393 1.1781 1.1832 1.4058 1.1551 1.5115 1.8370 1.2816 1.8917 1.2068 2.2090 1.0795 1.0042 1.3615 0.9689 1.6153 1.0575 1.2656 1.2624 1.2816 1.5617 1.4389 0.7752 0.9853 1.4670 1.1150 1.1401 1.0878 1.1168 1.4776 1.5547 1.1304 1.6730 1.3585 0.5954 1.1807 1.0671 1.1813 1.3871 1.4882 1.0759 0.9608 1.0711 1.3095 1.7370 1.1616 1.0264 1.2217 1.1526 1.7239 1.4769 0.5739 1.2019 1.5787 1.4844 1.0994 0.6031 0.1625 0.3464 0.2648 0.1554 1.6840 0.1410 1.2655 0.8678 0.4497 1.1725 1.6222 0.3174 0.1542 0.1201 0.8686 0.9126 1.4768 0.0593 0.0819 0.3560 0.1991 1.2756 0.1971 1.1060 0.2487 0.1978 0.1121 1.2052 0.8352 0.2605 1.4045 1.9362 1.0724 0.9457 0.0625 1.3898 0.2583 1.0698 1.2065 1.5919 0.1853 0.4700 0.8379 1.2710 0.5137 1.6774 1.4549 1.2941 0.1757 0.3118 1.1644 0.2077 0.4770 0.4434 0.1717 0.2245 0.6759 0.6061 0.1574 0.7319 0.1577 0.4999 0.0808 0.1933 0.4666 1.5516 0.6730
Piptamine 0.3201 0.3816 0.4330 1.2261 0.4493 0.3752 4.2973 0.3883 1.3042 0.6596 0.3522 0.2696 0.3490 0.7110 0.3743 0.2793 0.3877 0.4692 0.3055 0.3579 0.3438 1.0710 3.6590 0.3735 0.4459 0.3305 0.6306 0.4163 0.3387 0.5929 0.7864 0.5314 0.8612 0.6143 0.3540 0.7106 3.9215 0.6164 8.8433 1.4026 0.3476 0.2730 0.5215 0.3621 0.3961 0.4500 0.7336 0.5433 0.2801 0.4067 0.4883 0.4316 0.3385 0.2644 0.3981 0.3648 0.2553 0.2313 0.4001 1.7687 0.8684 0.3710 1.5869 2.0222 0.5064 0.7059 0.4273 1.0170 0.3319 0.4695 0.4464 0.7092 1.5402 0.5485 9.1174 0.2869 0.8958 0.5165 1.0664 2.2157 0.3384 0.5312 0.4582 0.5282 0.5643 0.3740 2.1567 0.6023 1.6394 7.1615 0.4226 0.3751 0.5088 0.3876 0.4359 0.5251 0.8116 1.2149 0.6123 0.4905 0.5405 0.4129 0.3444 0.4366 0.4238 1.7106 0.6971 0.5053 0.3586 0.4286 0.4461 0.3839 0.3147 0.3741 0.3837 0.4512 7.3155 0.8400 0.6061 1.8151 0.6240 0.5307 0.4174 1.0785 2.2687 0.7754 0.4890 0.5500 0.4109 0.4020 0.4987 1.6817 1.7105 0.7064 0.4980 0.7122 0.5171 0.4491 0.4903 0.4753 0.8850 0.7590 0.4351 0.4828 1.1141 0.3719 1.5219 3.5235
Piracetam 0.2519 0.7053 1.0242 0.6534 0.2196 4.4400 0.1516 0.8575 0.1804 0.2976 4.8737 0.9332 0.8879 4.8201 0.3579 1.7570 0.3804 2.0723 0.3496 0.7976 0.3662 4.8741 0.3703 0.1254 0.4570 0.1549 0.3091 1.6838 0.4268 1.4963 1.4704 0.3643 0.2575 0.0688 0.5521 0.2977 0.2622 0.3922 0.7093 0.9429 0.1905 0.6697 2.1882 0.8771 1.2367 1.1307 0.1784 0.9374 1.7718 0.7084 1.1979 0.2399 0.3504 0.3781 4.1215 2.0634 1.3436 0.4854 0.7444 2.9039 4.7667 0.7265 0.2081 2.6843 0.4373 0.9785 1.6525 1.5545 0.8193 0.3706 1.1315 1.0623 0.5365 0.1523 0.2101 0.2711 1.7910 0.2826 0.6019 0.1253 0.1893 1.0542 0.3732 0.6822 0.4657 2.6193 0.5635 0.6057 0.1175 1.3868 0.5617 2.6102 2.2487 0.3008 0.6137 0.3122 0.5554 0.4924 0.8448 2.1913 1.8277 3.6392 1.5318 0.2969 0.5059 0.4689 0.9188 2.8696 1.7925 0.4069 0.2730 0.3096 1.9119 0.5942 0.3066 0.5688 0.3077 0.8579 2.3402 0.0697 0.0989 0.4679 0.3973 3.2957 3.1613 0.6871 0.1840 0.2491 0.0704 0.5458 0.1346 1.8176 0.8858 0.1728 0.4194 11.4734 0.2422 0.8165 0.7666 0.1320 2.2866 0.5666 0.3140 0.7327 0.5807 0.1830 0.8295 0.6746
Pirbuterol 0.8455 1.1820 0.8697 0.8919 0.7621 1.0985 0.8628 0.8964 0.8463 1.0194 1.0720 0.6896 1.0803 0.7979 1.1061 1.0171 1.2409 1.2499 1.1702 0.8601 0.9397 0.8853 0.8347 0.9680 0.8289 0.6200 0.8562 1.1570 1.3351 1.1919 1.2237 1.4347 0.7693 0.7029 2.1952 0.8044 1.1731 1.1089 1.4417 1.3318 1.6422 1.4302 1.2133 1.2039 1.3048 1.1787 0.8797 0.9648 1.3778 1.1072 1.2183 1.4074 0.9887 1.2120 1.6326 1.6208 1.1264 1.0933 3.2175 1.3854 0.7181 1.0103 0.8150 1.1345 0.9164 1.0871 0.7665 0.8555 0.8849 0.8860 0.9620 0.9427 1.4958 0.7527 1.1254 1.1120 1.0241 1.1795 0.8530 0.9441 0.9283 1.0965 0.6748 1.4114 0.8911 1.0429 0.9530 0.8654 0.8260 1.0167 0.9467 0.7861 0.8784 0.9497 1.0377 1.2003 1.0581 0.9178 0.9840 1.0004 1.0457 1.0984 0.9341 1.0894 1.0720 1.2049 1.2327 0.9524 0.9322 0.9099 1.0013 0.9399 0.7938 0.9615 1.1377 1.2362 1.1073 1.4942 1.3018 1.1987 0.7105 1.3101 1.2044 1.0347 1.4874 1.3377 1.2003 0.9773 0.6983 1.4275 1.0633 1.1109 0.8120 1.2201 1.4117 1.4472 1.3575 1.1455 1.2715 1.0674 1.0626 1.2315 1.0218 1.1555 1.1297 1.0573 0.7606 0.8275
Pregabalin 1.1972 1.1622 1.1548 0.8529 0.6905 1.3814 0.8287 1.1029 1.0094 1.0848 1.2759 0.6428 1.0268 0.9894 0.9731 1.2061 1.0086 2.0303 1.8408 0.8508 1.0730 0.7570 0.9269 0.7596 0.6551 0.7843 1.1610 1.0970 1.2584 0.9433 1.2949 1.3578 1.2262 1.1474 1.0553 0.5648 0.8760 0.9065 2.5496 2.0002 2.5489 1.5697 0.9342 1.1370 0.9232 0.8921 0.6750 0.8063 0.8567 0.8512 0.5533 1.2462 0.4415 0.9863 2.1456 3.1695 0.8045 0.8140 0.9791 1.3326 0.7408 1.1025 0.9302 0.6268 0.6713 1.2042 0.9994 1.1299 0.7740 1.0298 1.3057 1.1364 0.8479 1.2200 2.1706 1.9237 0.9118 1.0972 0.7779 1.0019 0.9538 0.9340 1.2574 1.1297 1.0081 1.1924 0.9283 0.9883 1.0796 1.6782 0.8436 0.8134 0.8559 0.9649 0.8016 0.9249 0.8180 0.9355 1.4996 0.9065 1.3781 1.2162 1.8773 0.7745 1.0619 1.7121 1.9247 1.2211 0.9284 1.9478 1.4415 1.3091 0.7722 1.0953 1.3682 1.2853 0.7716 0.7607 0.5548 0.7738 1.7443 1.1136 2.1258 1.0439 0.5618 0.5883 0.8324 0.9492 0.6678 0.9173 0.8329 0.9977 0.8737 1.1368 0.6962 0.7363 0.6296 0.7496 0.7955 1.4022 1.5758 0.6856 1.1801 1.5673 1.3813 0.6726 0.6620 0.8150
Proline1 0.8843 0.7146 1.0620 0.7209 1.0386 0.8011 0.7925 0.9415 0.7199 0.7547 0.7790 0.6013 0.9858 1.0928 1.4620 1.2511 0.7410 1.3455 0.9032 1.7319 1.7304 1.1483 0.9449 0.8141 0.8485 1.1018 0.7090 0.8545 1.1120 2.1349 0.9745 1.0954 0.6441 0.6570 1.6268 0.7865 0.7537 0.8669 1.2529 0.8847 1.0625 0.9869 0.7475 0.7396 0.7218 0.7348 1.4179 1.2893 1.0481 1.1756 1.2119 0.8332 0.8953 0.8185 0.8846 0.9922 0.8713 0.9812 1.0996 1.0485 1.0185 1.6187 1.0839 1.4230 0.6003 0.7281 0.7445 0.6520 2.8399 0.7881 0.9064 0.9920 1.7383 0.6176 0.8284 0.8868 1.3004 1.2048 0.7985 1.0178 0.8486 1.4958 0.9101 2.1726 0.9035 0.9456 1.3714 0.9248 1.0648 1.7068 0.7771 0.7741 1.0854 0.8073 1.0830 1.3082 1.0865 0.6299 0.2209 1.7964 1.2459 1.0344 1.5033 0.9319 0.9550 1.4618 0.9829 1.1421 0.8749 0.6651 1.4776 0.7572 0.6967 0.7888 1.4937 0.9635 1.0193 1.5997 1.0056 0.6934 1.0548 0.9880 0.9254 0.7826 0.8804 1.1639 1.2815 0.5966 1.1632 2.1055 1.1418 0.8873 1.3441 1.1250 1.3415 1.5758 1.6451 0.8170 0.6662 1.1618 1.3462 0.9430 0.9856 1.9994 1.4377 0.6290 0.9910 0.5912
Proline2 0.8537 0.8801 0.8783 0.8427 0.8455 1.2641 0.9667 0.7056 0.9938 0.7689 0.9948 0.7330 1.2870 0.9184 1.0483 1.0808 0.7735 1.5574 1.3362 1.2654 0.7840 0.9349 0.9668 0.8223 0.6132 0.7218 0.6238 0.9524 0.7066 1.9189 1.1280 0.9042 0.7126 0.8714 0.6684 0.8161 1.2685 1.0000 1.0140 0.9488 1.2923 1.4709 1.0657 1.0959 0.6984 0.5868 1.1710 1.3473 0.9479 0.8375 1.4795 1.4425 0.8859 0.7800 1.4624 1.5416 0.8409 0.9812 1.3155 1.0430 1.3399 1.4985 0.6831 0.7151 0.6518 0.9796 0.8440 0.8915 1.3188 1.0435 1.0827 1.1041 0.9062 0.7983 1.2633 1.3576 1.5669 1.2293 1.0276 1.1030 0.9672 1.1722 0.8727 1.5168 0.7999 0.9797 1.0241 0.9923 1.0009 1.4877 0.9068 0.9341 0.9321 1.1320 1.1811 1.6264 0.7240 0.6588 1.4215 1.0424 0.9060 1.0613 0.9361 1.2059 1.2394 1.3016 1.2509 1.0648 0.9887 0.9039 1.4193 1.4682 0.7745 0.6911 1.0564 1.3317 0.7844 1.2443 1.3058 0.6769 1.0770 1.8147 1.3491 0.6209 0.8717 1.1452 0.9414 0.6754 1.0006 1.5196 0.3937 0.7664 0.6146 0.8845 0.9659 1.0255 1.0264 0.9186 0.7071 0.7182 1.1075 0.7294 0.7237 1.4179 0.9287 0.8346 1.1721 1.0176
Propamocarb 0.8294 0.6432 0.5988 0.9552 0.9889 0.9131 1.3117 0.4598 0.7392 0.5223 2.0298 0.8073 0.7607 1.1338 0.4645 1.4196 0.7628 2.1952 1.1774 0.9043 0.8707 0.9465 0.7203 0.7523 0.4286 0.3836 0.7478 1.5740 0.8641 1.4090 0.8635 0.8072 0.6670 0.6555 0.9963 1.7498 1.3897 0.9444 1.4361 2.9990 1.4051 2.1526 0.8949 0.9950 1.4008 0.7170 0.8446 0.6306 0.7815 0.4837 1.3733 1.1342 0.8041 0.7846 2.0532 1.5297 0.7769 0.9537 0.7780 1.2281 2.7936 1.0818 1.0032 0.8508 1.3552 0.7509 0.9101 1.0196 1.8468 0.7591 1.1883 1.1511 1.1645 0.8383 1.1530 0.5840 1.5154 1.1974 0.8471 0.5116 0.5402 0.7414 0.6051 0.8146 0.7361 0.5605 0.7592 0.8090 0.5243 0.6339 0.5873 0.6167 0.6252 0.4985 0.6236 0.7194 0.5328 0.3693 1.9935 2.0147 1.1624 1.1950 0.7892 0.6082 0.6635 0.9531 0.7648 1.1055 0.8358 0.7499 0.7236 1.7057 0.6789 0.8809 0.8101 3.6642 0.9519 0.6211 1.2027 0.6140 0.6473 1.2321 0.6689 0.7611 1.7113 1.9327 1.0161 0.4966 0.5044 0.8554 0.9746 0.5421 0.5313 0.7331 0.9820 2.3978 1.0412 0.6809 1.1395 1.0491 0.8046 0.9477 0.9643 1.0611 0.9873 0.6495 1.3610 1.1515
Prumycin 0.7825 0.2070 1.5903 0.3377 3.6511 0.6408 0.7473 0.2458 0.5049 0.3021 4.8876 0.9408 0.3654 0.6436 0.1257 1.2676 0.5521 4.8938 2.6736 0.5072 0.8947 0.4672 0.5676 0.6874 0.1073 0.5017 1.2095 4.6288 1.8249 3.8326 1.9277 0.3419 1.2430 0.5624 6.3530 2.4422 2.2079 0.5225 1.0960 2.3642 10.1749 8.5082 0.5761 0.2720 1.0898 0.9987 1.1047 1.0676 1.6596 2.0832 2.8241 1.3880 3.4135 0.5168 1.0518 2.3480 0.7256 0.7156 1.6729 0.4866 1.2026 0.3412 1.2566 0.1894 1.9991 1.2057 1.6827 0.8735 0.5449 0.4040 0.5162 0.6019 3.8969 0.1042 0.7524 0.6348 2.0060 1.9790 1.4888 0.2361 0.7694 0.2155 1.4586 0.1131 1.2973 0.0868 0.1049 0.6070 0.2590 1.0025 0.4218 0.3156 0.4779 0.1214 0.9333 0.1955 0.0982 0.1000 0.1642 0.2004 0.0958 0.1277 0.5045 0.2328 0.3125 1.2352 0.6157 0.7379 0.2182 0.8004 0.2723 0.0816 1.8231 1.0389 1.8968 0.1050 0.8620 0.1678 1.2768 0.5538 0.1602 0.1456 0.4116 0.6795 3.8487 0.1376 0.4092 0.3446 0.1520 0.1455 0.0931 0.1264 0.0798 0.2095 0.1050 0.6957 0.5844 0.3182 0.1000 0.4217 0.8772 1.0175 0.4920 0.5235 0.1937 0.1809 0.7327 1.1672
Pseudouridine1 1.1130 1.1127 1.0742 0.2210 0.8760 1.1003 0.7347 0.7240 0.9418 1.3572 1.3901 0.7874 1.1329 1.0522 1.0038 1.1034 1.2991 1.8779 1.5879 0.9721 1.0678 0.9148 1.0490 0.8262 0.7668 0.6394 1.0165 1.4737 1.6327 1.0983 1.2279 1.8885 0.9206 0.8821 1.8163 0.9503 1.3746 1.2616 1.4993 1.2067 1.7665 1.4779 1.0016 1.1253 1.5161 1.4849 0.8149 0.8623 1.1904 1.1118 1.7171 1.6048 0.8612 1.0285 2.0656 2.0178 1.1765 1.1576 1.0124 1.5184 0.9172 1.1385 0.8744 1.0147 1.0626 1.3256 0.9212 0.8444 0.7774 0.9299 1.0344 1.0522 1.3981 0.8019 1.0472 1.1327 1.2100 1.3183 0.9814 1.0803 0.8932 0.9502 0.6799 1.3307 0.6173 1.0187 0.7077 0.8533 0.8521 0.9856 0.9930 0.9487 1.0564 1.1192 1.0737 1.3127 0.7864 0.8019 1.0226 0.9223 1.0603 0.9937 1.1301 1.0080 1.1577 1.0123 1.0281 1.0454 1.0110 0.8040 0.9303 1.0320 1.0515 1.1946 1.0479 0.8869 1.1994 1.5571 1.0749 0.7724 0.6463 1.1373 1.0939 1.1547 1.1662 1.0794 1.0123 0.9641 0.6453 1.2149 0.6872 0.9100 0.7985 1.0861 0.7922 0.9680 1.0736 1.0989 0.9982 0.9182 1.2457 1.1378 1.3399 1.0585 1.0142 0.9529 0.7862 0.8494
Pseudouridine2 1.1153 0.8464 1.0074 0.5413 0.8334 1.0148 1.0261 0.6216 0.9738 0.8817 0.9907 0.8156 1.0346 1.0070 0.8546 0.5387 0.6056 0.7622 0.6469 0.8520 0.6882 0.9929 0.6410 0.9366 0.9030 1.0412 1.1758 0.9963 0.6904 1.0373 0.8877 0.5707 0.9442 0.6767 0.9929 0.7763 1.3895 0.8294 0.6809 0.5844 0.7966 0.1741 1.0709 0.7812 1.1070 0.6183 0.8515 0.9568 1.3606 0.7610 0.8109 1.0672 0.9468 0.8580 1.5481 1.4459 0.7452 0.5373 1.2852 1.0105 1.0627 0.8429 1.2652 0.6728 0.8897 0.9835 1.3113 0.7642 1.0191 1.4276 1.0967 0.6665 0.8689 0.6951 0.8120 0.6837 0.9584 0.5204 0.8461 0.8105 1.0830 3.7968 1.5879 1.8507 1.0835 0.7979 1.4235 1.3366 1.0129 0.8595 1.0734 0.8840 1.5599 1.2422 1.1357 1.3378 0.8510 0.7804 1.5485 1.3250 1.1369 1.6680 1.2094 1.0656 1.2434 0.8938 1.0862 1.8067 0.9651 0.9674 0.9270 0.9110 0.7471 0.7047 1.3896 1.7140 0.9279 2.2543 1.1256 0.6572 0.8579 2.0906 1.5653 1.0365 0.8854 1.8214 1.1552 1.2249 1.0518 1.1943 1.6767 0.8074 1.2034 1.4125 1.0916 1.1711 1.5994 2.4158 0.8466 1.2516 1.1361 0.9590 0.7507 3.6564 1.7953 1.0455 0.8538 0.8493
Pulcherriminic acid 0.8756 10.6476 0.2084 2.0995 2.1740 0.8588 0.2408 2.1221 0.2937 0.4643 2.2859 0.3395 0.5215 1.4727 9.3201 0.0538 3.3603 1.4482 1.3566 0.2348 0.4661 0.2104 0.2025 1.3702 2.7597 0.6967 0.4720 2.1055 3.9341 0.3602 0.5327 3.6213 2.2968 0.7344 3.4296 1.7474 0.9121 2.9691 3.7248 0.1207 0.9877 1.3751 0.8766 1.5501 0.6280 2.3250 0.1677 0.1862 0.6336 0.1909 2.0460 0.6701 0.0458 0.9680 0.8991 0.7957 4.4829 2.2413 0.1154 0.1939 0.7097 2.4491 0.8142 1.3307 0.9327 1.9654 0.3174 0.0964 0.3083 0.5520 0.4839 0.6832 0.3015 1.5368 0.8125 0.1152 0.8210 4.1712 0.6328 1.9517 0.2291 0.5651 1.4414 0.6492 0.2371 2.3387 0.1350 0.1464 0.1926 1.4820 0.2221 0.2489 3.4111 1.8311 0.1278 4.0550 0.4489 0.3901 0.3233 0.1986 0.5404 1.2970 0.8125 1.2412 0.6445 0.0669 0.3643 0.1283 0.2947 0.0777 3.3089 0.7367 1.0398 0.1585 0.2260 2.1609 0.6297 0.9500 0.3013 0.4610 1.2858 0.1413 0.3973 0.3660 0.1897 0.3132 2.5759 1.3862 0.1815 2.7985 0.2324 0.9077 1.0960 0.3232 0.1036 0.4667 0.2036 0.9414 0.7963 0.5375 0.8484 0.1589 0.3269 0.1511 0.1925 3.3898 0.2357 0.2443
Pyridoxamine;2-Methyl-4-aminomethyl-5-hydroxymethyl-3-Pyridinol 1.3777 1.1239 0.9851 0.7876 2.2404 3.4403 0.6918 0.5606 0.9244 1.0224 1.1992 0.5073 0.4214 0.5729 0.3240 1.5770 0.8747 0.9343 0.7153 0.6507 0.7342 3.2036 2.6856 2.4863 1.6564 0.4623 0.3575 2.9308 2.7475 1.0785 0.3413 0.4252 0.3726 0.1560 0.4953 0.2478 0.4540 0.2588 1.3970 1.0568 2.6261 2.9112 2.8590 3.3399 4.9278 3.9095 0.1911 0.1846 0.4050 0.0886 0.6368 0.5504 0.4059 0.3046 1.2005 1.0127 0.2214 0.3172 0.0996 0.4084 4.2817 4.0704 0.2420 0.2747 3.2985 3.8423 1.5914 1.1603 0.3949 0.3062 0.5261 0.3690 0.1280 0.4575 0.3307 0.3329 0.5277 0.3851 0.4709 0.4850 0.1967 0.0629 0.1336 1.0185 0.2846 0.3220 0.1298 0.9450 0.6090 0.5924 0.1250 0.1787 0.5365 0.6136 2.6017 2.3965 0.1183 0.1099 0.6420 0.6804 0.4220 3.1602 3.5307 0.2677 0.5247 1.2242 1.1919 0.5444 0.3279 1.1447 0.4208 0.6020 0.5611 0.3078 2.9199 0.8267 0.1702 1.1820 0.7392 1.9994 0.6927 0.3985 1.3409 3.0576 0.4621 1.5600 0.3341 0.7926 0.2773 1.1026 0.1598 0.5410 0.2744 2.7030 0.0906 1.2489 2.7938 4.0134 0.4042 5.3019 0.5663 0.9811 2.0605 0.4833 2.2588 3.0327 0.3805 1.1141
Pyrrolam B 3.6924 3.3849 0.6362 0.5560 0.1510 0.7123 0.1665 0.3534 0.3193 0.1777 1.0031 0.4445 0.3746 1.0767 0.1163 0.7012 0.5235 1.5634 1.6191 0.4635 0.6182 0.5008 1.0492 0.3239 0.3873 0.3422 1.8879 1.3341 0.7251 0.5882 0.9773 0.5887 0.3212 0.2503 0.9741 1.3812 0.6645 0.1025 1.6541 0.8593 1.1123 1.4327 1.0675 1.1592 0.8804 0.6249 0.3736 0.3375 0.3518 2.4513 0.5958 1.0022 0.3048 0.4316 1.6897 1.8142 1.3201 0.9706 0.6147 0.8765 1.0021 1.3907 5.6503 0.9372 0.5878 0.6127 0.9627 5.9918 2.6220 0.8098 1.3327 1.8224 0.6762 0.7593 2.4555 1.1251 1.1755 0.8944 2.5713 0.9579 0.3313 0.6626 0.1337 0.9124 0.4532 0.3893 0.1647 0.6291 1.3533 1.5717 1.0546 1.0767 1.5271 1.3227 0.8262 0.2711 0.7221 0.7693 1.7954 0.6577 1.3694 1.4663 1.5016 2.1710 0.9449 1.1897 0.2875 0.5522 0.2929 0.7255 0.4961 1.4235 0.3119 0.6699 0.9474 0.7629 0.8559 0.8872 0.9644 0.4870 2.3901 2.0417 1.2963 0.8079 1.2184 1.1985 0.3232 0.2270 0.2927 0.1182 0.3571 0.5846 4.3665 0.2938 0.6083 4.3127 0.7643 0.2795 5.1450 0.2908 0.4522 0.9860 0.5653 1.5504 0.4043 0.3783 0.9657 1.2296
Qinimycin B 0.3603 1.1090 1.3944 1.4268 0.2657 0.1908 0.2772 0.1122 0.4691 0.0566 2.6809 0.8708 0.4308 3.7410 0.2023 2.1499 0.1638 1.3001 1.1666 0.8657 0.5582 0.1033 0.0592 0.5414 0.1846 1.0188 2.0352 0.6212 0.0652 5.9792 0.8946 0.1848 0.1087 0.0225 1.9268 2.4543 1.0377 0.1006 2.4547 0.5134 6.9567 1.2337 0.2142 0.1069 0.1866 0.1262 2.3687 1.7335 0.2906 0.5107 3.5086 4.1905 0.9076 0.6007 1.2295 1.5351 0.1993 0.2000 0.0646 0.1759 3.0031 1.0767 1.0190 0.5257 0.2577 0.1086 3.1174 3.8657 1.1649 0.6798 2.0259 0.2830 1.8167 0.3991 3.4298 1.0618 0.2717 0.0487 1.0313 0.3218 1.0708 0.6129 1.0376 1.5721 0.7539 0.0223 0.5917 1.0118 0.0574 2.1225 0.5819 0.0488 0.5983 0.3378 2.3071 0.1368 1.5617 0.2692 1.5812 0.2978 0.2537 0.3544 0.1445 0.1984 0.2657 2.1559 0.3832 1.1839 0.2577 0.5769 1.3875 1.3537 0.9749 0.1536 0.1011 1.4593 1.0307 0.9278 2.0098 1.1201 0.5943 0.8838 0.5925 0.7902 2.3628 0.9151 1.1347 0.1418 0.5861 0.8409 0.8801 2.1320 0.2029 5.2505 0.8063 1.0447 1.5705 0.5592 0.5653 2.3350 0.3743 0.2721 1.7964 1.4280 0.4264 0.2239 1.0220 0.9559
(R)-3-Hydroxybutanoate 0.3454 3.3871 0.6776 0.6465 0.4468 1.1514 0.5120 0.5418 0.4179 0.6360 0.4083 1.0301 1.1209 1.3419 30.1051 0.4868 1.2444 0.5555 0.4403 0.4162 0.4753 0.5769 0.5119 0.4464 2.4300 4.6357 0.3970 0.8493 0.9078 0.4573 0.5912 1.2187 0.4490 0.6091 4.7134 0.3290 0.5447 1.5860 0.6159 0.5590 0.4647 0.6247 0.5281 0.3472 0.4670 0.4459 0.5471 0.5809 0.4295 0.4736 0.5455 0.3678 0.4138 0.9042 0.6481 0.5972 2.4818 0.9450 0.8728 0.4975 0.4797 0.7506 0.4468 1.2677 0.8915 0.4509 0.4020 0.3713 0.4105 0.4131 0.5032 0.4304 0.4837 0.4258 0.4784 0.5818 0.5447 0.5328 0.4989 0.5242 0.5224 0.5580 0.6343 0.5948 0.5797 3.3219 0.5606 0.4474 0.4866 0.5941 0.5521 0.5199 7.8030 2.3077 0.6043 2.9985 0.6106 0.4122 0.6621 0.6166 0.5890 1.2989 0.5569 0.5693 0.5682 0.4886 0.6619 0.3561 0.5054 0.4715 1.2743 0.4669 2.4646 0.4202 0.5941 0.4714 0.6547 1.5186 0.5264 1.3788 8.4711 0.3538 0.5614 0.5127 0.4886 0.4935 2.8800 3.7626 0.2705 3.1811 0.7124 1.6434 0.4898 0.4207 0.4034 0.3582 0.3506 0.9225 0.6177 0.3710 0.3369 0.3453 0.5435 0.3923 0.3021 1.1836 0.3834 0.8037
(R)(-)-Allantoin 1.0094 0.5967 0.8912 0.2973 0.3286 0.5448 0.7660 0.7691 0.6661 1.8524 0.4957 0.2010 0.6527 0.9597 1.3164 0.7133 0.5048 0.7585 0.6227 0.8964 0.2928 0.7063 0.4145 0.5365 0.5860 0.3582 0.6344 0.5918 0.5453 1.0383 0.5204 0.8017 0.3322 0.4550 0.9179 0.2916 0.6380 0.6428 1.3245 0.3625 1.0207 0.7623 0.9649 0.4502 0.5193 0.4392 0.4605 0.9303 1.2223 1.7791 1.3350 0.8059 0.6475 0.5713 0.9997 1.1999 0.4849 0.5454 2.1074 2.2406 0.6386 0.5137 0.2408 0.8195 0.1474 0.6568 0.6430 0.2413 0.1716 0.3099 0.5737 0.5433 0.6415 0.3038 0.5256 0.7643 0.4463 0.3252 0.3068 0.4942 1.0660 0.7527 0.9153 0.8356 0.9135 0.6346 0.5725 0.3861 0.5606 1.8851 6.3745 1.9218 0.9427 1.1255 1.2197 0.7610 0.5205 0.2791 1.2686 1.7132 1.0901 1.6503 0.4737 0.5784 0.6525 1.3494 0.4521 2.8994 1.1619 0.5440 1.3235 2.2442 0.3305 0.3476 0.6486 1.2510 0.5550 1.9813 0.7153 0.2731 0.6361 2.6924 0.7126 0.6152 0.3999 0.8015 0.3509 0.5036 0.4960 1.0722 0.3963 0.2618 0.4955 0.9523 0.5847 1.3268 1.4030 0.6165 0.6940 1.1379 0.8225 1.2561 0.7035 1.3474 1.1773 0.6552 2.5197 1.2014
Ranitidine 78.1260 0.3599 0.0183 0.0216 0.0173 0.0165 0.0183 0.0206 0.0238 0.0178 0.0175 0.0172 0.0210 0.0174 0.0210 0.0167 0.0167 0.0267 9.1221 0.0168 0.0173 0.0159 0.0213 0.0161 7.6291 0.0159 0.0191 0.0185 0.0173 0.0191 4.5012 0.0174 0.0182 0.0165 0.0204 0.5477 0.0170 0.0178 0.0182 0.0183 0.0167 0.0210 0.0181 0.0189 0.0227 0.0170 0.0189 0.0185 0.0190 0.0208 0.0164 0.0160 0.0231 0.0177 0.0184 1.9798 0.0175 0.0163 0.0249 0.1939 0.0209 0.0199 0.0160 0.0187 0.0206 0.0146 0.0153 0.0175 0.0198 0.0169 0.0201 0.0190 0.0196 0.0199 0.0153 0.0156 0.0156 0.0175 0.0159 0.0188 0.0144 0.0160 0.0172 0.0174 0.0268 0.0185 0.0194 0.0225 0.0158 0.0179 0.0222 0.0188 0.0187 8.1442 0.1997 1.0846 0.0218 0.0153 0.0180 0.0190 0.0200 0.0167 0.0149 0.0188 0.0170 0.0189 0.0163 0.0160 0.0196 0.0204 0.0230 0.0181 0.0145 0.0180 0.0159 0.0184 0.0181 0.0182 0.0190 0.0178 60.8315 0.0173 0.0172 0.0162 0.0182 0.0180 0.0167 0.0186 0.0165 0.0159 0.0192 0.0257 0.0166 0.0169 0.0205 0.0178 0.0195 0.0162 0.0188 0.0223 0.0172 0.0165 0.0182 0.0179 0.0178 0.0173 0.0175 0.1594
(R)-Norcoclaurine 0.2726 1.0597 0.1199 0.1642 0.1796 0.1373 0.1395 0.1215 0.1479 0.1444 1.5280 2.4177 3.6180 1.6920 0.1612 3.4813 0.1763 0.6824 1.6454 2.4118 0.1330 0.1296 0.1073 0.8734 0.1172 0.1364 0.1379 0.2328 0.1346 8.0780 0.3727 0.1218 0.1451 0.1270 0.1581 4.5304 2.1924 0.1421 2.2005 0.3026 3.9481 0.1447 0.1212 0.1328 0.1348 0.1561 4.0000 0.3509 0.1266 0.1341 1.3505 3.2327 1.8702 0.1854 0.1616 0.3162 0.1287 0.1591 0.1468 0.1365 4.2646 0.3024 1.1861 0.4785 0.1103 0.1213 10.5779 5.0956 2.5117 1.6079 1.8682 0.3663 0.2249 0.1985 6.1210 0.1413 0.1117 0.1091 1.4259 0.1514 0.7701 0.4303 0.1342 1.7968 0.3371 0.1132 0.1185 0.5236 0.1911 1.9251 0.1329 0.1117 0.1373 0.2620 2.6639 0.1462 0.1909 0.1487 1.2382 0.5000 1.3671 0.1311 0.1414 0.1296 0.2220 4.0865 0.1333 1.3308 0.6228 0.3829 0.4483 0.5876 1.5644 0.1182 0.1315 1.5359 0.2222 0.1204 1.4734 0.1402 0.3977 0.4721 0.4039 1.0057 2.5712 1.3869 0.1485 0.1114 0.7294 0.1177 3.0475 6.0268 0.1470 3.0059 1.2702 0.5378 3.4012 0.3187 1.1124 8.0454 0.1244 0.1124 1.4072 3.1465 0.3293 0.1202 0.5906 1.1250
(S)-2-Acetolactate 0.7433 0.8408 0.8042 0.9135 0.3420 0.5819 0.3429 0.9819 0.8917 0.7305 0.6895 0.4870 1.3523 0.7219 1.5246 0.8098 0.9935 1.1263 0.9806 0.8230 0.8592 0.4457 0.9549 1.3836 1.0878 0.6029 0.1643 0.5129 0.2875 1.1847 1.3105 0.9954 0.5392 0.3564 0.8701 0.4747 0.2369 1.0193 1.5201 1.2655 0.7159 0.4995 0.8818 0.9057 1.2991 1.2185 1.1364 1.8954 0.8094 1.8993 0.9250 0.7414 0.7423 0.8557 0.9539 1.0033 1.1407 1.4409 0.8137 0.8328 0.9315 2.9356 0.7003 0.9522 0.2760 0.9171 0.9829 1.2161 0.9625 1.4305 0.7197 1.0900 0.6489 0.9069 1.0799 1.0617 0.7392 1.1559 1.0480 1.5628 0.8085 1.3086 0.5288 1.9730 0.5936 1.4317 2.3338 0.7396 0.8291 0.8486 0.5413 0.7881 1.1410 1.0664 0.6198 0.9233 1.0147 1.0307 1.2738 1.0074 1.3386 0.6801 1.3433 1.5816 1.8541 0.4612 0.6193 0.6048 0.9988 1.1634 1.2106 1.3995 1.0182 0.5990 0.6837 1.2343 1.5308 2.9625 1.8629 0.7537 1.0566 2.1788 1.3094 0.7182 0.2814 1.2362 1.4080 1.0200 1.6772 3.3264 0.8041 1.8608 1.3684 0.6636 2.4385 1.0313 1.5480 2.8708 0.8920 1.8480 0.6140 0.9056 0.8513 1.4155 1.1741 1.2212 0.8918 1.3150
(S)-4-Amino-5-oxopentanoate 0.6391 0.8589 0.6519 0.7261 0.4991 0.5934 0.8347 0.5907 1.0522 0.7062 1.0360 0.4333 1.9011 0.9192 1.4036 1.0346 1.1182 1.3889 0.8172 1.6526 2.2715 0.8189 1.0515 0.4989 0.6826 0.6652 0.6950 0.8549 0.9283 1.4053 1.1655 1.2767 0.8150 0.7007 1.2544 1.3052 2.7779 1.2239 1.4539 1.3651 0.6644 0.8802 0.4234 0.9926 0.7087 0.7577 1.5139 1.7086 0.7357 1.0918 0.8138 1.2292 0.3328 1.4677 0.9615 1.3982 0.8424 2.7311 0.6880 2.1476 0.3270 1.1013 1.1100 1.5262 1.1902 0.9213 0.8484 1.0902 11.2885 2.1583 1.3006 1.7545 0.9162 0.6147 1.4594 1.0183 2.0089 1.6436 0.7757 1.0458 0.7444 0.9692 0.7526 0.5492 1.0065 2.0749 1.6059 0.7693 0.8894 0.5116 0.6169 1.0183 0.4289 0.6625 1.0257 0.8629 1.1723 1.0439 0.5756 0.6431 0.8514 0.5840 1.0599 0.6778 1.7697 0.5018 1.3504 1.1525 2.1761 0.6899 1.1675 1.6129 0.9131 0.7375 0.4340 0.4165 0.8800 1.2469 1.0339 0.3470 1.2733 1.0138 0.4588 0.5338 0.4455 0.8645 0.4598 0.3230 0.8803 0.3531 1.3771 0.3243 0.6479 0.5439 1.0173 1.0907 0.8954 1.2569 0.6749 0.4768 1.5399 0.6154 0.7954 0.7569 0.7091 0.4582 0.9512 0.6968
Sanguinolentaquinone 0.4069 1.0996 0.3792 1.4563 0.9972 1.1133 0.7182 1.1957 0.2341 0.2805 0.8055 0.3199 0.8379 0.3483 0.7447 0.1673 0.9951 2.9580 0.9820 0.5085 1.0515 1.7161 2.4475 0.0729 0.5810 0.7021 0.5524 0.4547 1.3095 0.7360 1.3227 2.5714 0.4474 1.2653 1.6677 0.6420 1.3904 1.0470 0.9147 1.0761 3.7817 4.6125 1.0848 2.0579 1.0852 1.5439 0.8829 0.9952 0.3079 0.4308 0.9891 3.1979 0.0649 1.2368 2.3243 4.1631 0.5183 3.5261 0.3298 0.6561 1.4961 1.0403 0.4680 0.2395 0.5017 0.4601 0.3219 1.0897 0.5873 0.7767 0.6500 0.9334 0.6827 1.4431 0.8823 1.4236 1.8031 1.5612 0.5487 0.9762 0.7339 1.3748 0.3310 0.4071 1.6754 2.6839 0.6553 0.6385 1.3311 1.0288 0.3553 2.6296 0.5926 0.7707 0.2502 0.9554 0.3921 1.3968 0.4861 0.4759 1.2182 0.4728 1.5406 1.5961 1.4323 0.7799 2.3492 1.1089 1.3839 2.1638 2.0861 1.3432 1.4306 1.2398 2.1661 0.6809 1.8371 1.9934 1.5866 0.4682 1.6377 0.1691 1.0454 1.1213 1.0392 1.1196 0.0765 0.2366 0.0646 1.7975 0.5940 0.4482 0.5782 0.9331 0.5732 0.7763 0.7613 0.9703 1.4103 0.9129 0.8456 0.9365 0.5428 0.3330 0.1184 2.0248 0.7368 0.9771
(S)-Carnitine1 1.2296 1.0287 0.7425 0.7404 0.7111 1.2872 1.1531 1.2954 0.9226 1.0855 1.0690 0.8620 1.3770 0.7576 0.6999 1.0397 0.8740 0.9523 1.1230 0.9502 0.8635 1.0032 1.0533 1.0108 1.0018 0.8770 1.1293 0.9742 0.9173 1.1691 1.1662 1.1711 0.9402 1.1449 1.0586 0.7677 1.2119 0.9067 1.0579 1.1347 1.0852 0.9851 0.9757 0.9165 1.0481 0.9077 1.2409 1.3425 1.2729 0.9381 1.0601 1.1071 0.9191 1.0456 1.3612 1.3839 0.9476 0.9045 1.7186 1.0559 0.9751 0.9436 0.9342 0.9202 0.8898 1.1458 1.0012 1.0630 1.1226 1.2419 1.0165 0.9521 1.0925 0.9116 1.2913 1.3490 0.9782 0.9094 0.9134 1.1373 1.0785 1.2275 0.8574 1.1955 1.0917 1.1342 1.2898 1.1824 1.3533 1.2671 1.1287 1.1029 1.1225 1.1137 1.2745 1.0457 1.0988 1.0961 0.0080 1.1105 1.1751 0.9773 1.0562 1.2716 1.2296 1.1491 1.2243 1.1691 1.0369 1.0976 1.1837 1.0390 0.8538 1.0166 1.0585 0.9489 1.2721 1.1650 1.2981 1.1939 1.1287 1.2632 1.3983 1.0661 0.9984 1.0312 1.4467 0.9642 1.0043 1.2141 1.0313 1.4927 1.1049 1.0156 1.1778 1.1546 1.2030 1.0007 1.0958 1.0941 1.4331 1.0586 1.0552 1.2255 1.2094 1.0709 0.8710 0.4904
(S)-Carnitine2 0.7367 0.6421 0.8756 1.3769 1.6631 1.3299 1.3282 0.9672 0.8550 0.5194 2.4430 2.0271 1.3256 0.8121 0.2757 1.5141 1.2802 2.3506 2.6984 0.5881 1.2443 0.7880 1.3921 1.5988 0.6952 1.2301 0.7718 1.8217 1.4580 1.9703 1.9163 1.2353 0.6853 0.6580 1.8469 1.3514 1.4580 1.6724 1.0626 2.9850 2.3894 2.1060 1.6535 1.5772 1.7905 1.2297 0.8425 0.8567 0.9874 0.6764 1.0865 1.6724 1.5162 1.8368 2.1533 2.3407 1.4754 1.4758 1.5770 1.4174 1.6542 1.3545 1.6362 1.1612 1.6508 0.7187 0.9177 2.3496 2.2117 0.6721 1.6407 1.3935 1.7940 1.6677 2.2200 1.0772 1.7498 1.7100 1.0203 0.6124 0.8931 0.6600 0.4343 0.5844 0.4319 0.6341 0.6545 0.8394 0.7209 0.6561 0.6721 0.8056 0.5038 0.4191 0.5682 0.5285 0.5879 0.6367 0.4185 0.4132 0.4770 0.4283 0.5553 0.6313 0.6820 0.6774 0.7360 0.4548 0.5382 0.8790 0.5117 0.6445 1.8741 1.5123 0.5197 0.3151 0.7725 0.5295 0.9228 0.5988 0.5755 0.6287 0.8349 0.6142 2.2528 0.5988 1.0837 0.3917 0.6259 0.4728 0.5029 0.9772 0.4903 0.5052 0.7081 0.5002 0.5504 0.3489 0.5199 0.3845 0.9731 0.3654 0.3949 0.5433 0.5676 0.4539 0.8769 0.9575
Serinolamides D 0.8946 1.8553 0.6134 0.4527 0.5852 1.3082 1.2877 1.1890 1.1324 0.9682 0.7651 0.6869 1.9908 1.7579 2.1704 0.4806 1.1289 0.5917 0.6699 0.5733 0.6159 0.9957 0.6599 0.8556 1.2697 0.6430 0.6202 1.1370 1.1629 0.4769 0.5874 1.8236 1.0607 0.8474 1.0179 0.4620 0.9936 1.0247 0.9297 0.2801 0.9169 1.5468 0.9219 0.9702 0.8354 0.7166 0.8788 0.5968 1.3592 0.6499 1.8173 1.0425 0.4078 0.9951 1.2932 1.3037 1.5066 0.8016 0.4701 0.4670 0.4661 0.6999 0.4669 1.2357 0.5919 1.1922 0.6354 0.4563 0.4965 0.8278 0.5804 0.5577 0.5990 0.5219 0.7954 0.7323 1.0029 1.1279 0.7236 1.2006 1.0698 1.7955 1.1008 0.7518 0.8634 1.3818 2.5716 0.6747 0.5914 0.6296 0.7919 0.5952 1.7986 1.5510 0.7361 1.3372 2.3051 1.5308 2.0941 1.2814 1.3792 2.3211 1.7212 1.6937 1.0997 0.7410 1.2118 0.7133 0.7607 1.0269 1.0709 1.6380 0.6673 0.3837 0.7716 1.4620 1.4012 0.6869 0.7121 1.3390 0.9632 1.3945 1.0804 0.3682 0.3872 0.7168 2.1032 1.5526 0.9358 1.7221 1.0163 1.6463 1.7864 0.9925 1.2618 1.0663 0.8844 1.2131 1.5401 0.9200 1.2038 0.5495 1.6282 0.5302 1.0270 1.4688 1.1604 0.7728
Serratamic acid 1.2584 2.1794 0.4518 1.4121 1.1161 1.2637 0.6038 1.4290 0.6960 0.7799 2.8110 0.8238 1.4334 1.4545 1.7123 0.2294 1.4107 0.6926 0.8229 0.3252 0.5191 0.5164 0.4908 1.4297 1.6650 1.6531 0.6007 1.2656 2.0207 0.7637 1.1550 2.6858 1.9566 0.4284 5.5747 1.1194 1.4938 1.8218 2.6251 0.3910 1.1759 1.4782 1.0685 1.0531 1.3469 2.0022 0.5210 0.4534 1.1793 0.4042 1.4980 0.7641 0.3164 1.3585 2.0273 1.3959 5.4710 1.6678 0.7351 1.2369 0.6584 1.2366 0.9375 1.2453 0.6832 1.0262 0.4864 0.6816 0.5640 0.7643 0.9562 1.0935 1.1424 0.9189 1.4770 0.3459 0.7887 1.6447 0.6857 1.3518 0.6038 1.0995 1.2404 0.3840 0.5931 1.6338 1.2451 0.8591 0.0377 0.4891 0.9314 0.6461 3.0704 1.6330 0.4625 1.3094 0.6631 0.6585 0.6295 0.6074 0.8450 1.9973 1.4569 1.5125 1.0135 0.4699 0.8332 0.3957 0.5121 0.3880 1.0538 0.8238 1.2010 0.5088 0.5955 1.5843 1.2988 0.6637 0.7855 1.1899 0.9015 0.9340 1.2716 0.4826 0.7639 0.4689 3.6490 1.2762 0.6702 1.7216 0.6582 1.5443 1.2679 1.3895 0.5449 1.1722 0.5699 1.1515 1.1666 0.8100 1.7273 0.3713 0.4724 0.2812 0.6482 1.7348 0.5064 0.5774
[Similar to: Glycyl-L-leucine; ΔMass: -57.1202 Da] 1.0781 1.0647 1.0626 1.0254 0.9012 1.0564 1.0104 1.0857 1.0327 1.1098 0.9521 0.9674 1.0893 0.9644 1.0843 1.0170 1.0186 0.9882 1.0105 1.0286 1.0588 0.9946 1.0327 1.0264 1.0510 0.9395 1.0129 1.0116 0.9792 1.0606 1.0543 1.0284 1.0420 1.0778 0.9871 0.9750 1.0986 1.0464 1.0488 1.0304 0.9969 1.0481 0.9739 1.0033 1.0470 1.0274 1.0538 1.0995 1.0087 1.0057 0.9940 1.0271 0.9565 1.0392 1.0439 1.0233 1.0089 1.0136 1.0883 1.0566 1.0332 1.0151 1.0114 1.0343 0.9448 1.0753 1.0639 1.0321 1.0514 1.1180 1.0037 1.0438 1.0484 1.0608 1.0604 1.0680 0.9798 1.0179 1.0388 1.0721 0.9810 1.1197 1.0059 1.1907 0.9974 1.0427 1.0922 1.0024 1.0503 1.0686 1.0149 1.0648 1.1226 1.0793 1.0739 1.1792 1.0864 1.0239 1.2291 1.1871 1.1848 1.1595 1.1453 1.1468 1.1675 1.1618 1.1415 1.0987 1.0526 1.0111 1.1158 1.0174 0.9418 1.0029 1.1372 1.2158 1.0909 1.1753 1.1293 1.0305 1.0297 1.2037 1.0661 1.0431 0.9909 1.1461 1.0584 1.0817 1.0359 1.2153 1.1554 1.0672 1.0843 1.1334 1.1465 1.0934 1.1513 1.1264 1.0845 1.1634 1.0630 1.2242 1.1617 1.1145 1.1882 1.1423 0.9130 1.1396
Sistodiolynne 1.1955 0.8474 1.0131 0.5921 0.9199 1.0223 1.1677 0.5653 1.0306 0.8234 0.9986 0.8165 0.6660 0.9478 0.7380 1.1331 0.7759 0.7516 0.8064 1.2521 1.0726 1.1811 0.9702 0.8889 0.8733 0.8013 1.1185 1.2365 0.9726 1.5541 0.9375 0.8783 0.8201 0.5997 1.0699 0.0069 1.0659 0.6920 1.0934 0.9857 1.1802 1.0279 0.9529 0.8927 1.1239 0.7278 0.9752 0.8166 1.4821 1.0057 1.4717 0.8789 1.0144 0.8258 1.2859 1.2885 0.9874 0.7321 1.5876 1.0010 1.1055 0.7343 0.8444 0.7721 0.9163 0.9162 1.1322 0.8732 0.9581 1.0434 0.9703 0.8397 1.1409 0.6574 0.8055 1.1093 1.1142 0.8452 1.1498 1.0575 1.1140 1.1295 1.3362 1.5330 1.0941 0.6860 1.0114 1.5783 1.0623 1.3430 1.1603 1.0645 1.0358 1.0465 1.0977 1.0801 1.0884 0.8704 1.2199 1.3083 1.0765 1.2369 0.9872 1.3392 0.9530 1.7169 1.3562 1.1791 0.8982 0.8605 0.9586 0.9607 0.4958 0.8420 1.2378 1.3607 1.2698 1.0027 1.0999 1.2953 0.9556 1.4859 1.1506 1.1277 1.1285 0.9901 0.9595 0.8595 0.9575 1.2806 1.0711 0.9710 1.1176 1.2772 1.2332 1.5756 1.4069 1.2166 1.3766 1.3931 1.0563 1.0503 0.9597 1.3147 1.1859 1.2074 1.0660 1.0503
Spylidone 1.0564 1.1284 0.0507 0.6073 0.0502 0.0377 0.0613 0.1439 0.0334 0.0593 0.0367 0.1037 0.0379 0.1203 0.9908 0.0477 0.0941 1.0747 0.0338 1.4914 0.0371 0.1014 0.9154 0.0994 0.4667 0.0375 1.0717 0.0474 0.0597 0.0560 0.0801 0.0386 0.0351 2.2366 0.0386 0.1048 0.1165 0.0865 0.8648 0.0546 2.1304 6.2701 0.0352 0.0335 0.0504 3.6263 0.1850 8.1845 0.5801 0.9853 0.6265 1.4129 0.0777 0.7684 0.4595 0.1054 0.0767 0.6013 0.4399 11.9711 0.0920 1.9895 0.3021 0.5729 0.0490 9.4788 4.0582 3.4340 0.1096 0.5511 0.1127 0.0898 0.3090 0.0678 0.0648 2.0744 0.0498 0.1381 0.0399 0.0422 0.0679 0.1117 0.0641 3.1954 0.0528 2.4251 0.2403 0.0387 0.0409 0.0897 0.0878 1.7573 0.0763 0.1396 0.1211 0.5819 0.0513 1.6348 0.1130 0.7451 1.5714 1.2818 0.0650 0.0755 0.0654 0.5214 1.3755 2.8364 1.7299 0.0479 1.8071 2.2602 0.0312 0.0333 0.1310 0.7705 0.0575 0.0988 0.0402 0.0378 0.2747 0.5393 0.0671 0.0759 0.0943 0.1471 0.1449 0.4331 0.2963 0.5275 1.0716 0.1484 0.3533 1.3352 1.3351 0.3840 0.6936 0.7804 0.9467 2.6554 0.4328 5.8966 1.1410 2.5571 0.2834 0.3930 2.3538 1.4662
Staphyloamide B 0.5852 0.0652 0.2874 0.0559 0.2598 0.5907 0.2390 0.1816 1.5623 0.3931 0.5672 0.2102 0.3992 0.2955 0.9147 0.1848 0.1083 2.9099 0.2954 3.6687 2.9013 3.5079 0.3616 0.1134 0.1927 0.0748 0.5600 0.9323 0.3936 5.9180 0.9855 0.0554 1.7276 0.3619 2.1690 2.0599 2.1918 1.3242 0.8104 0.1470 0.1640 0.4203 1.0410 0.5547 0.0601 0.0535 0.8327 0.5353 1.0740 1.2140 0.4408 0.0538 1.9650 1.3110 0.3553 0.1166 0.8746 0.2646 1.4611 0.7185 1.3918 0.7357 0.0911 0.0970 0.0558 0.0925 0.6131 0.8218 1.5987 0.2547 0.0629 0.0586 0.1868 0.1710 0.1350 0.1682 1.2245 0.8475 0.7160 0.4586 1.1887 3.6703 6.7120 0.1218 2.5654 0.6781 2.6030 4.3485 0.4907 0.9191 0.6148 0.1632 5.6943 2.4855 5.5062 5.0828 0.4609 0.4783 0.4422 5.4133 2.2851 2.3260 3.7424 0.3392 0.1926 1.6297 0.7888 6.0953 4.3164 0.2722 0.2910 0.7296 0.0537 0.2657 3.3130 0.2850 0.4748 2.2349 0.4033 3.7132 1.6634 0.0829 2.2515 2.1343 0.0650 0.9836 1.3206 0.4712 1.5898 0.6110 0.4070 0.7832 0.7908 0.7173 1.0479 1.1686 0.4745 1.4384 0.8214 0.2593 1.1553 0.6148 1.2680 0.2845 0.6464 0.2215 0.2288 0.2862
Styrene 1.1808 0.8868 1.0559 0.8459 0.9987 1.1830 1.0992 0.5952 1.1419 0.7658 0.6621 0.8839 0.8247 0.8363 0.7613 1.0338 0.7689 0.6879 0.5334 0.6880 1.1477 1.3172 1.0715 1.0114 0.9430 0.9580 1.0736 1.4093 1.0031 1.5377 0.9964 0.8847 0.9958 0.6581 1.2007 0.6724 1.1785 0.7444 0.9687 1.0774 1.0368 1.0147 0.9593 0.8784 0.5769 0.7970 1.0132 0.8614 1.3316 1.1415 1.4492 0.6476 1.0366 0.5309 1.2733 1.2063 1.0950 0.7775 1.4731 1.0957 0.6427 0.8998 0.9438 0.9002 0.4776 1.1901 1.0951 0.5575 1.0156 0.7632 1.0262 0.8545 1.4011 0.7902 1.0257 0.8250 1.1624 0.6944 1.1536 1.0991 1.1049 1.2248 1.2758 1.4774 0.7047 0.7450 1.1125 1.7265 0.8856 1.4409 1.2505 1.1056 1.3485 1.1462 1.1668 1.0670 1.0857 1.0177 1.2906 1.2696 1.2314 1.2136 1.0461 1.2227 0.9908 1.5555 1.4342 1.3726 1.0175 1.0530 1.0132 1.0459 0.5756 0.3466 1.1264 1.1150 1.1809 1.1049 1.1473 1.3761 0.8805 1.5573 1.0090 1.1522 1.1824 0.7017 1.0002 0.9465 1.0229 1.2803 1.0162 1.1178 1.2299 1.3391 1.3360 1.2911 1.2821 1.1848 1.3975 1.3353 1.0546 1.0178 1.0751 1.3710 1.2678 1.3718 1.0169 0.8873
Symmetricdimethylarginine 1.4315 1.2353 0.9937 0.7808 0.6000 1.1384 0.9036 0.7513 1.0404 0.7255 1.2437 0.6504 0.8067 0.9570 1.0043 1.2822 1.1097 1.4782 1.4094 1.1029 1.4633 0.7247 1.0255 1.1808 0.7106 0.7449 0.8860 1.4025 0.9828 1.5035 1.2835 1.3126 0.7771 0.7901 0.8573 0.8341 1.1995 1.0554 1.2388 1.3637 1.5299 1.3601 1.2898 1.1781 1.3428 1.1661 1.0165 1.1467 1.0285 0.7740 1.1708 1.2820 1.0871 1.2989 2.4152 2.4225 1.1061 1.1613 1.4497 1.6494 1.4514 1.3164 1.0715 0.9778 0.7394 0.7323 1.0607 1.3059 1.1618 0.9110 1.0786 1.2691 1.0221 1.0011 1.1323 1.0201 1.4149 1.6912 1.1207 0.8303 0.8275 1.1948 0.6117 1.2627 0.5982 0.8490 0.9923 0.8003 0.8000 1.0817 0.7318 1.0112 1.0380 0.9054 0.8446 1.2037 0.9147 0.5318 1.4408 1.0032 0.9093 0.9548 1.0653 1.0921 1.2200 0.0059 0.9352 0.9869 0.7604 1.0112 1.0219 1.0274 0.6843 1.0673 1.3306 1.2029 1.0592 1.2038 1.1906 0.8488 0.8499 1.4026 0.9636 0.7347 1.1721 1.3995 1.2152 0.8202 0.9345 1.3194 1.1121 0.8539 1.6018 1.3993 0.9380 0.7488 1.0546 0.8256 1.0761 1.1137 1.0535 0.9708 1.3562 1.4576 1.0336 1.1672 0.8117 0.8901
Taurochenodeoxycholicacid 3.3464 0.3376 0.0505 0.0428 0.4760 0.6086 0.7987 0.5748 0.0714 0.2818 0.3092 0.1982 0.1053 0.1081 0.0621 0.2748 0.7488 0.8760 0.0460 0.2783 0.0735 0.3056 0.1419 0.1717 0.0937 0.3392 0.4030 0.4155 0.4248 0.1995 0.7464 0.8954 0.0458 1.2023 0.3160 0.0496 0.0663 0.1310 0.4410 0.6941 0.3262 0.2242 1.8928 0.3203 1.6616 3.1303 0.2710 2.2218 0.3019 0.2234 0.3520 0.3754 0.1493 0.0815 0.7976 0.3783 0.1881 0.0466 0.5243 5.9543 0.5776 0.8419 0.1428 0.3792 0.2369 2.7762 4.2714 2.8569 0.4541 0.4736 0.1755 0.6784 0.3726 0.0471 0.9022 2.3658 0.3083 0.3934 0.9523 0.0670 0.2736 0.0483 0.0521 0.6750 0.3558 1.3958 0.3496 0.0566 0.0687 0.3658 0.3094 1.3721 0.0481 0.2537 0.3349 0.1643 0.9232 4.0553 0.0502 0.4350 1.3331 0.3134 0.1139 0.0976 0.0463 3.2653 5.2991 2.0772 6.6080 0.1809 6.4290 1.0905 1.5128 0.3424 0.4613 0.4975 0.8655 0.2903 0.0848 0.1337 1.6261 1.7231 0.4380 1.8949 0.3289 0.1527 0.0503 0.5978 0.0868 0.9083 0.5389 0.2125 0.2464 0.8193 0.2399 0.6819 0.0911 0.2911 1.3826 0.3720 0.0623 5.6363 2.7031 1.7291 0.0631 0.2102 2.6269 0.9432
Taurochenodeoxycholic acid; ΔMass: -52.9571 Da 0.3796 0.6011 1.3684 0.5927 0.7755 0.4986 0.6452 0.7397 1.2353 0.2869 1.5102 1.5865 0.3595 3.8711 2.2526 1.0765 0.7509 0.7940 0.6676 0.2596 0.3693 0.7055 0.7814 2.1010 1.2041 3.4273 1.0569 2.2035 0.9101 0.8768 0.8556 1.4328 1.8147 1.5140 3.1625 1.1214 1.8866 1.1952 0.5394 0.3699 0.4661 1.6809 0.1940 0.4069 1.8900 0.5007 1.3612 0.3588 0.4278 0.3137 2.0091 0.9803 1.4599 1.3071 0.7342 1.2264 3.4090 1.4603 0.4998 0.7285 1.7726 1.2769 0.8538 1.2044 1.0240 1.1877 1.1072 2.4130 1.2489 0.8204 1.3887 0.6336 1.0958 0.3088 0.7793 0.3681 2.0749 2.2041 0.5955 0.9992 0.8901 0.7810 1.9660 2.1630 1.3347 1.5321 0.7579 0.6812 0.5079 1.2635 1.3853 1.1168 1.0249 1.5217 0.9162 0.3744 0.5041 0.3708 1.9042 1.6044 1.9423 0.6596 0.6930 0.8306 0.3582 0.3262 0.3666 1.8309 1.4226 0.6135 1.0170 1.0930 0.6297 0.7151 0.7626 1.0066 3.1595 1.8233 1.4474 0.3964 0.3160 1.4381 0.5573 0.8517 0.6616 0.7831 2.2178 2.5500 1.2512 0.5435 1.5011 0.4381 0.4505 1.2701 0.3008 0.3634 0.7501 0.6325 2.7504 1.5272 0.5587 1.8222 2.4720 0.3492 0.3906 1.7481 0.4320 0.7413
Thymidine-3-mercaptocarbamic acid 2.0667 0.8159 1.4807 0.8563 0.5162 0.9930 1.0638 0.7774 0.6867 0.5871 0.6042 0.8216 1.0453 0.5512 2.8425 2.3613 0.9932 1.5745 1.0458 0.8672 0.9933 1.7867 1.0102 1.6668 1.4816 1.2575 2.4705 2.3636 1.9716 1.9007 1.4068 0.6307 2.6497 2.0698 1.2275 1.2119 1.4765 1.0361 1.3983 1.0773 1.0414 1.0486 2.1660 1.5482 1.1233 1.3771 1.6295 1.0088 1.1373 0.8360 0.5287 2.2649 1.4915 0.8157 2.1199 3.1610 1.0558 0.6120 1.1628 0.9892 1.2864 1.0818 0.7141 0.6123 1.1721 1.5482 0.6234 0.7336 0.9181 0.6327 2.0983 0.7310 1.7310 0.4973 1.2246 1.1466 1.0147 1.1196 2.0193 0.9520 0.8880 0.6208 0.6127 0.5058 0.7204 0.6634 2.2861 1.3648 0.6988 1.4061 1.9138 0.6950 3.3966 1.0049 1.5544 2.0819 2.6151 0.5663 1.2058 0.8634 1.0709 0.9911 1.2938 0.9304 0.7278 1.0646 0.7442 0.6950 1.7858 1.1918 0.8820 1.3502 0.3730 1.2775 1.2818 0.8193 1.8388 1.1464 1.4018 1.7198 3.1245 1.0622 1.5209 0.8174 1.5941 0.5463 1.3107 1.0577 1.0060 0.6837 0.8840 0.7494 0.6296 0.6674 0.6871 1.0110 0.6892 0.7020 1.2159 0.6281 0.4449 0.5113 0.7045 0.6136 0.6662 0.5984 0.0245 0.1586
TM-64 1.3116 1.2024 1.2246 0.8974 0.6865 0.9579 1.1402 1.3753 1.1726 1.0802 1.0547 0.7182 1.0962 1.0569 1.3918 1.0774 1.3194 1.0910 1.0372 1.1485 1.2108 0.9211 1.0389 0.8253 1.0695 0.8465 1.0291 0.9369 0.9908 1.2484 1.0999 1.3497 1.0616 1.1288 0.8282 0.9095 0.9707 1.0526 1.1753 0.8721 0.8284 0.8427 1.1066 0.7367 1.0251 1.1563 1.3874 1.3439 0.5654 1.3731 1.1578 1.0644 0.9655 1.0732 1.2042 1.2480 1.1424 1.2049 0.8420 1.2317 0.9357 1.4302 0.9097 1.0470 0.5987 1.1978 1.2676 1.2170 1.0933 1.1859 1.1896 1.1945 0.7063 1.0204 0.2788 1.0683 1.1745 1.2923 0.8087 1.2671 1.3479 1.4626 1.1138 1.3982 1.2274 1.1800 1.5435 1.0069 1.3531 1.3096 1.1168 1.2288 1.2882 1.1512 1.3873 1.6694 1.4304 1.0495 1.4914 1.2968 1.6603 1.0900 1.3163 1.3866 1.2550 1.4109 1.3710 1.2066 1.1283 1.2519 1.4456 1.1019 0.8958 0.9797 1.2720 1.6111 1.3500 1.7280 1.4949 1.2105 1.1994 1.2909 1.1887 0.4491 0.8949 1.5430 1.3623 1.2784 1.2302 1.5096 1.6114 1.2735 1.2711 1.3898 1.2442 1.2701 1.4260 1.3466 1.2496 1.4935 1.2516 1.2233 1.4111 1.3363 1.4113 1.3503 0.1515 0.9650
Tranexamic Acid 0.6842 0.2031 0.1239 0.8216 0.4531 0.5046 0.0874 0.9035 0.2474 1.0666 0.4409 0.7129 0.4837 0.2147 0.1084 0.0987 0.2274 0.8218 0.6138 0.2710 0.4301 11.6485 3.1569 0.2124 0.1967 0.0693 0.1118 2.4872 0.4674 0.1876 0.9664 5.0906 0.9802 0.5188 1.5529 1.6356 0.2711 0.8325 0.3256 0.5835 2.0991 1.0123 0.9329 0.6947 0.1007 0.2705 0.3339 0.4744 0.0978 0.8161 1.8636 4.5249 0.3915 0.8575 0.0874 0.1579 1.0073 0.4794 0.2757 0.2997 1.0349 0.3529 0.6453 0.2717 0.6039 0.4058 0.5760 2.2649 0.3484 0.0738 4.0034 0.3432 0.1914 0.5783 0.3902 0.9988 0.7217 1.2450 0.2579 0.7295 0.5930 2.2676 0.4584 0.0733 0.3521 0.3689 0.1316 0.2423 0.2438 0.3450 0.6975 0.7491 0.1353 0.1796 0.0953 0.3070 0.1095 0.1226 0.1045 3.5281 6.1156 0.1360 0.7689 0.7141 1.0310 0.0877 0.5079 0.6889 0.7632 1.5164 0.5195 0.3681 0.6610 0.1708 0.1169 0.2494 4.7200 1.2444 0.5198 0.4443 0.3138 0.1812 0.2152 0.2637 0.0865 0.5552 0.9595 0.3884 0.2819 2.6107 2.6858 3.8200 0.2898 0.2728 2.7568 0.3828 1.7228 4.2916 1.1905 2.8806 1.1031 0.6882 0.2935 0.8638 0.2011 1.5303 1.6615 2.0147
Trans-4-aminoproline1 1.4230 0.8829 1.3271 0.6064 0.9584 0.7393 0.8186 0.8249 0.7765 0.8314 0.8913 0.9841 1.0126 1.0136 0.9531 1.1819 0.8892 1.3699 0.8978 1.6647 1.9814 0.9711 0.7988 0.7439 0.8437 0.8708 0.8344 0.8599 0.7591 1.5584 1.0676 0.8506 1.1102 0.8358 1.5452 0.9600 0.9671 0.8589 1.5280 1.0604 1.1394 1.0602 0.8610 0.8124 0.8017 0.7879 1.3393 1.1728 1.1121 1.5765 0.9915 0.7312 1.1985 0.9099 1.0188 1.1351 0.7152 0.6580 1.6504 0.9638 0.8857 0.7611 1.1643 0.9042 0.7609 1.0097 0.8745 0.8764 0.8225 0.9416 0.9480 1.0076 1.2948 0.7450 0.7340 0.8600 0.7933 1.1821 0.9422 1.1441 0.8794 1.5041 1.4444 0.5736 1.0994 0.8567 1.5953 1.0764 1.1868 1.5106 1.1341 0.9958 0.9479 0.5387 1.0497 0.9574 1.4446 0.7512 0.0264 1.0818 0.9166 0.9781 1.2382 1.4006 1.2564 1.7427 1.4918 1.0781 0.9834 0.8884 1.1134 0.6464 0.7412 0.8884 1.3496 0.7175 0.9813 1.1700 1.2649 0.7480 0.5515 1.6950 0.9261 0.4795 0.7191 1.2842 1.1887 0.8679 0.8869 1.1793 1.3422 0.9468 0.9813 1.2893 0.6585 1.0776 1.7229 0.9325 0.5670 1.3239 0.9006 1.0643 1.0000 1.2176 1.1826 0.9842 1.2727 0.3915
Trans-4-aminoproline2 1.9268 1.2955 0.8096 0.5913 0.6482 1.2383 0.6908 0.7963 1.2251 1.1667 1.0662 0.6667 1.2524 1.0375 1.7380 2.3802 1.6737 1.1450 1.1047 1.7427 1.3512 0.6191 0.7897 0.7184 0.7383 0.5864 1.1067 1.1566 1.0795 1.2401 1.2703 1.3609 0.5975 0.7129 0.7303 0.7299 1.2631 0.6094 1.1567 0.8439 0.7554 0.9573 0.8279 0.9510 0.9688 0.8492 1.1567 2.4010 0.9964 0.6819 1.6402 1.3941 0.6184 0.7556 1.6388 1.2198 1.0825 1.6639 1.2274 1.0313 0.8492 1.3531 0.5494 0.6243 0.5664 0.9213 0.6773 0.6091 0.8628 0.8680 0.8915 1.1206 0.5509 0.5778 1.0490 0.8236 1.3126 1.2264 1.0266 1.2003 0.6968 1.3074 0.7816 1.1933 0.7067 3.9158 1.0860 1.1151 1.1676 1.1778 0.7983 0.9499 0.9214 0.9086 1.1185 1.9423 0.6767 0.6237 1.5315 1.0864 1.1594 2.2131 1.7966 1.4140 1.5170 1.3091 1.4856 1.2641 1.2972 1.2194 1.1836 1.2256 1.0743 1.0894 0.9928 0.8123 0.9791 0.8836 0.8972 1.2463 1.7712 1.0153 0.7973 0.6886 0.4526 1.0937 0.6630 0.7324 0.6029 1.1186 0.7890 0.7564 0.4704 0.6661 0.5858 1.1093 0.9793 0.7240 0.7039 1.1308 1.1203 1.0202 1.1294 0.8759 0.8971 0.8319 0.8968 1.1459
Trehalamine 0.9740 1.1059 2.2387 1.3624 0.4624 0.5516 0.7538 1.1353 0.7448 0.6742 0.4751 0.5433 2.7871 0.4037 1.4638 0.5213 1.3182 1.1036 1.6584 0.8683 1.5466 0.5816 0.9018 0.8290 0.8994 0.5205 0.2990 0.4750 0.2221 1.0236 1.2881 2.4242 1.0067 0.7687 0.2722 1.2180 1.9905 2.3174 1.3027 1.3830 0.7047 0.6530 0.9924 1.4066 0.6247 1.9795 1.2161 2.3932 0.7281 0.6956 1.0965 1.2779 0.5052 1.6947 0.8004 1.0192 0.6008 1.4431 0.8721 0.9284 0.5352 1.2181 0.5054 1.5523 0.5408 1.8268 0.9782 1.3493 0.9553 1.1164 0.4723 0.7476 0.5101 0.6265 0.7213 2.3068 0.3081 1.2924 0.8247 1.3655 1.0689 1.5739 0.7796 2.7798 0.8441 2.2186 0.9240 0.5565 1.1976 1.1546 0.5846 0.9484 0.8990 0.9748 0.7806 1.7538 0.8509 0.7635 1.5131 1.0529 1.5004 1.1519 1.7530 3.8700 3.4060 0.7387 0.9187 0.5962 0.8367 1.4670 1.8565 0.8590 0.5354 0.4941 1.8291 1.9403 0.8989 0.0307 2.1112 0.6074 0.6469 1.7634 1.7414 1.1132 0.4938 1.5152 1.1712 0.7662 0.7020 2.2754 1.9082 0.6633 1.0759 0.8350 1.3557 1.3126 1.5302 0.8040 0.6764 1.7942 1.8563 1.1907 0.4105 0.8511 0.8552 1.0067 0.3259 2.1087
Tricholide B 0.6141 0.8839 0.7665 0.3944 0.5166 1.1048 1.0147 0.8536 1.0948 0.8963 0.5515 0.6027 1.6106 1.3649 1.0444 0.7371 0.4541 0.6988 0.6115 0.5877 0.3901 1.1884 0.6891 0.9292 0.9850 0.4394 0.6811 0.6964 0.5147 0.9170 0.6000 1.0695 1.2015 1.1956 0.7876 0.3090 0.8927 0.5572 0.9088 0.4283 0.5044 0.7833 0.6636 0.5877 0.8647 0.6360 0.7627 0.5134 1.0895 0.7447 1.4126 0.5141 0.6090 0.5921 0.8438 0.9218 1.1720 0.5829 0.7343 0.5440 0.6437 0.7352 0.5070 0.7056 0.4031 1.0913 0.8166 0.4230 0.6223 0.8880 0.7091 0.3893 0.5416 0.4397 0.6527 0.8877 0.7126 0.6359 0.6385 0.8842 1.4946 1.4287 1.1801 0.6817 0.7458 0.8585 1.2393 0.8796 0.6154 0.7739 0.9681 0.9181 1.2981 1.5242 0.8161 0.0366 1.9990 0.8219 1.9118 1.1540 0.9801 1.4757 0.8893 1.6349 1.0047 0.7032 0.7316 1.1396 0.8058 0.7975 0.9169 1.8114 0.4099 0.3680 0.7251 2.4516 1.0098 1.0520 1.2800 1.1636 0.5064 2.3708 1.1993 0.4296 0.4068 0.9436 2.2951 1.2961 1.0058 1.2831 0.7972 0.8455 1.2047 1.1440 1.2263 1.5110 0.9098 1.0191 0.9284 1.4272 1.3224 0.6896 1.0645 1.2891 1.0718 1.3374 2.1023 0.6651
Triisopropanolamine 0.4467 0.5212 0.5027 0.5051 0.4970 0.5623 0.6571 0.7733 0.6551 0.5914 0.5351 0.5342 0.5237 0.4744 1.9833 1.4867 0.9645 0.5767 1.6594 0.5633 0.5448 0.4621 0.5690 0.9116 1.2104 1.6391 0.8016 0.4893 0.7391 0.6137 0.6300 0.5616 0.5502 0.5991 0.4827 0.7214 1.2176 6.4175 0.5528 0.8863 0.4288 0.8005 0.5868 0.5771 0.8435 0.7371 0.8475 0.5330 0.5707 0.5105 1.0759 1.3765 0.5761 0.9161 1.1627 0.5832 1.7570 1.1638 1.5032 0.7485 1.6975 1.9900 1.7693 0.6322 0.5737 1.5547 0.5607 0.8646 0.5774 0.5769 1.2222 1.7973 0.4527 0.9947 0.4715 1.7437 1.5015 1.7738 1.2242 0.6297 0.5359 1.4380 0.4431 0.6493 0.4789 0.5053 1.4353 0.3495 0.4542 1.2054 1.7091 0.4193 0.6519 1.4207 1.0422 2.7246 3.5577 0.4039 1.0305 0.9427 2.4075 9.1544 2.2676 0.6553 0.8360 0.4854 0.4505 0.8771 0.4699 0.8059 0.3957 0.5085 0.7015 1.5553 0.6104 0.9651 0.8905 1.2361 0.4826 0.4342 0.7770 0.7131 0.6319 1.2556 0.9111 5.1821 0.8382 1.9455 1.0480 0.6687 0.8952 0.6777 1.1642 0.4402 1.5715 0.6592 1.0030 0.5887 1.2531 1.3777 0.5526 5.8348 0.6792 0.9117 0.5634 0.7228 0.5535 2.0188
Triphenylphosphine oxide 0.4126 3.0371 0.0918 0.1179 0.1290 0.3143 0.1125 0.0873 0.1062 0.1037 0.1080 0.9459 0.7185 0.1062 0.1158 0.1245 0.1821 0.6807 0.0952 0.1426 0.0955 1.0919 1.7546 0.4260 0.0842 0.0980 0.6067 1.4812 0.0967 0.1806 2.3853 0.2798 0.1042 0.3393 0.2432 0.0994 0.2343 0.1020 0.3027 0.0866 0.3513 0.0945 0.0870 0.0954 2.0159 2.2731 0.1036 0.1099 0.1809 0.0963 0.0961 9.0961 0.0938 2.4433 0.2588 0.1235 1.0114 0.7452 0.2399 0.1216 0.1396 0.1072 5.1129 0.0881 0.1095 0.1595 0.4976 0.3837 1.1057 0.1573 0.0965 0.1509 0.1240 0.2236 1.4595 0.0910 1.1283 1.1724 0.0994 0.1087 0.1440 0.8090 0.0964 0.0946 0.0888 67.4206 1.1914 0.0845 0.1372 0.4601 0.8108 17.4638 0.0986 0.0961 0.1560 0.1050 0.1371 0.1068 0.1579 0.0932 0.7433 1.0625 0.1016 0.2029 0.1223 0.3642 12.1082 0.1169 0.0887 1.5504 1.3030 0.0875 0.0905 0.0849 0.3919 0.8192 0.0909 0.0865 0.6486 0.1502 0.3223 0.0984 0.0873 0.0921 0.1452 0.0860 0.1067 2.6839 0.0889 0.1314 1.2172 0.1197 0.1056 0.0954 0.1084 0.1201 0.5497 0.0931 1.3113 0.1093 0.1033 0.0808 0.0932 0.0969 0.0702 0.0863 0.3073 0.4620
Tris(2-butoxyethyl) phosphate 0.4881 0.2582 0.3180 0.7210 0.1796 0.1817 0.4418 0.4272 0.5678 12.1493 0.2572 0.1368 0.2974 3.2194 0.1648 0.2929 0.5740 0.1402 0.3925 0.2383 0.3995 1.1898 0.7248 0.4525 0.4041 0.4901 0.5181 0.4554 0.3335 0.5058 0.5129 0.4042 0.4804 0.3399 0.1529 0.3708 0.9997 0.9624 3.3523 1.5263 0.4901 0.2316 0.4522 0.5441 0.4174 0.5719 0.2489 0.7990 0.1974 0.3809 0.9459 0.4907 0.4341 0.3506 0.4536 0.8287 0.4693 0.4921 0.2900 1.2294 0.3493 0.4285 1.4778 1.6445 1.0091 0.5365 0.3594 0.5019 0.4748 0.4955 0.5106 0.2783 0.3069 0.9258 1.7150 0.4062 0.5272 0.4150 0.4591 0.6261 0.9186 3.9181 0.9851 1.0747 1.4591 0.9842 1.0940 0.8006 0.9465 2.6428 0.8300 0.8519 2.4924 1.0154 0.9482 0.3706 2.9275 0.8173 1.4143 0.9644 0.9869 1.2111 0.9801 0.9498 0.8471 1.7952 0.3696 1.1626 0.9120 0.8667 1.1107 0.9477 0.4357 0.4802 0.9559 1.0209 0.8842 0.9317 0.9665 1.2101 0.6821 0.8913 0.8947 1.0115 2.6929 2.2682 0.9726 1.1430 1.1503 1.0971 1.1557 2.0396 1.0873 1.3071 3.7888 0.8217 1.0998 1.5058 1.0498 1.0293 0.8465 1.3433 1.0848 1.2211 4.6880 1.0956 1.1417 0.8373
Tryptophan 0.9381 0.8048 1.0020 0.5373 0.8322 1.2384 1.1724 0.7631 1.0121 0.9330 0.8315 0.8039 0.8085 1.0336 0.7055 1.7188 0.7527 0.4581 0.9086 1.1634 1.3254 1.1526 1.1863 0.9984 0.8641 1.1552 1.3544 0.9730 0.9409 1.3920 1.0296 0.7755 1.0079 0.7469 0.8443 0.6178 1.1499 0.8040 0.8603 0.8346 0.8640 0.6939 1.0923 1.0844 1.2254 0.8462 0.9902 1.2371 1.5212 1.1959 0.8649 0.8563 1.2744 0.9708 1.1687 1.2204 0.7680 0.5353 1.3028 1.0908 1.0435 0.8805 0.9763 0.7955 0.9054 1.0182 1.1056 0.9698 1.1079 1.1953 1.0322 0.8555 1.5120 0.7456 0.9856 1.4607 1.1847 0.9401 1.1460 1.1803 1.1146 1.0812 1.2609 1.6810 1.3030 0.5309 1.3225 1.2194 1.0512 1.5057 1.0690 1.1207 1.0437 0.8568 1.1470 1.0512 1.1500 1.0092 1.0152 1.1617 1.1018 1.3891 1.0754 1.1253 1.2900 1.2867 1.1974 0.9560 0.9409 1.0759 1.1580 0.7493 0.4218 0.9722 1.0428 1.1290 0.8267 1.2159 0.9832 1.0254 1.3211 1.5328 1.1498 1.2266 1.4865 1.0927 1.1895 0.9664 1.1204 1.2662 1.1986 1.0820 1.2211 1.3105 1.4154 1.4633 1.2812 1.4645 1.1281 1.2957 1.0114 1.4821 1.1998 1.2209 1.3270 1.1007 0.8914 0.8406
Uric acid1 1.0783 0.9033 1.2662 0.7502 0.7059 1.1605 0.9575 0.8642 1.0337 0.9158 1.4163 0.9295 1.0069 1.1390 2.1230 1.1097 0.9208 1.2996 1.0634 0.4967 1.0195 0.7921 0.5676 0.9241 1.0106 0.8502 1.2131 1.3585 1.4704 1.3297 1.1052 1.1202 0.9946 0.7854 0.8756 0.7678 1.1025 0.8411 1.2779 0.9806 1.4238 0.7594 0.6627 0.6679 1.3430 1.1701 1.2795 1.2884 1.4425 1.2011 1.0846 0.9830 1.2259 1.1518 1.7038 1.5286 1.0474 0.8209 1.1401 1.1620 1.1749 1.3087 0.7095 0.6606 0.6812 0.9147 1.0262 0.9064 0.6167 0.7361 1.0184 0.8740 1.4186 0.6338 1.0969 1.1470 1.1030 1.0046 0.8844 0.8287 1.1264 1.2084 1.1327 1.0301 1.0757 0.9486 0.9923 0.9331 0.8805 1.1529 1.2136 0.8246 1.9294 1.3712 1.3244 1.4377 1.0502 1.0730 1.5025 1.3417 1.1129 1.4869 1.0007 0.8947 0.9278 1.5397 1.3216 1.3855 1.0010 0.8335 1.1826 1.3838 1.0669 1.0542 1.0875 1.4560 1.4331 1.8165 1.2780 1.1691 0.7690 1.7250 1.1396 1.0772 1.1122 0.9912 1.2019 1.1164 0.6847 1.2747 0.7227 0.8739 0.7504 1.0522 1.2249 1.6133 1.2295 1.2584 1.2837 0.9979 1.0618 1.1506 0.9929 1.6113 1.2552 0.9249 0.6879 0.9030
Uric acid2 1.1816 1.2483 1.1194 0.8971 0.7778 0.9900 1.1547 1.2545 1.1472 1.0959 1.0504 0.8142 1.1296 1.0520 1.3228 1.0790 1.2494 1.1611 1.0659 1.1415 1.2173 0.9070 1.0500 1.1783 1.1027 0.8737 1.0106 0.9261 1.0166 1.1670 1.1382 1.2191 1.0491 1.1056 0.9062 0.9578 1.0076 1.0405 1.1717 0.9319 0.9729 0.8605 1.0887 1.1194 1.0532 1.2178 1.2520 1.2882 1.1876 1.2320 1.1186 1.1121 1.0399 1.1987 1.1279 1.1327 1.1410 1.1740 1.2172 1.1487 0.9884 1.2726 0.9842 1.0949 0.6836 1.1256 1.1683 1.1774 1.0951 1.1831 1.1482 1.1704 0.8131 1.0273 1.0478 1.1059 1.1286 1.2946 1.1626 1.2741 1.2194 1.4199 1.1177 1.2375 1.1725 1.1510 1.3292 1.0121 1.2112 1.2941 1.1138 1.1942 1.1888 1.0896 1.3068 1.3927 1.3457 1.1103 1.3757 1.3326 1.3755 1.1160 1.2467 1.3068 1.2007 1.2774 1.2600 1.1768 1.1815 1.1850 1.3544 1.1019 0.9800 1.0661 1.1790 1.3804 1.2809 1.4090 1.3015 1.1044 1.0779 1.2358 1.1939 1.0356 0.9187 1.3139 1.2523 1.1488 1.2074 1.3498 1.4202 1.1759 1.2530 1.2495 1.1968 1.2999 1.3226 1.2451 1.1679 1.3475 1.2478 1.2061 1.2335 1.1849 1.2487 1.2567 0.2827 0.9454
Xanthine 0.8311 0.8148 0.6050 0.4139 4.9619 1.7808 0.7672 0.5547 0.7611 0.5969 0.4158 1.1993 1.9179 0.7134 1.5958 0.6807 0.8087 0.6270 0.6436 0.9207 0.4934 0.7395 0.6966 0.5430 0.5758 1.1214 0.6553 0.6067 0.9802 0.7717 0.9480 2.8575 1.8174 1.5932 0.9698 0.5873 0.8418 0.9465 0.5000 0.6574 1.0276 4.3699 0.7998 0.6544 1.0941 0.7246 1.0653 1.1543 1.4083 0.8164 1.2853 0.8811 1.3046 1.1282 1.3096 1.4476 0.6109 0.5626 3.4342 1.1750 0.6825 0.7347 0.6285 0.9515 1.5377 1.5080 0.7708 0.6021 0.6348 0.7204 0.8525 1.2342 1.4146 0.5994 1.4040 3.7111 1.4930 1.1686 0.9362 0.8319 0.6183 6.3221 1.7581 1.6474 2.3214 1.0999 0.7199 1.6427 1.2399 0.6666 0.8837 0.5280 1.3127 1.2915 1.3540 1.1951 1.1951 1.3395 1.0356 1.6072 1.2719 2.1743 1.5000 1.2575 0.9239 1.0979 1.3347 1.5608 1.1092 0.6239 0.5307 1.3432 0.5183 0.4803 1.4138 1.2080 0.8896 1.3550 0.6287 0.7606 0.6027 1.6905 0.9006 0.9095 1.0834 1.3235 1.0796 0.8866 1.1102 0.8037 0.9293 0.7893 0.6796 0.9453 1.5547 0.8378 0.6914 0.7012 3.0647 0.7313 0.3743 0.6978 0.4163 0.9866 0.6724 0.6291 0.4425 0.5282
Xestostreptin 1.3010 0.2573 1.2492 0.2687 0.2588 0.3611 0.3444 0.3067 0.3578 0.3132 0.3041 0.2992 0.3807 0.3233 0.3794 0.4311 0.3571 2.8790 2.8154 0.3436 0.4888 0.3551 0.3401 0.3552 0.3595 0.3173 0.3567 0.3722 2.8122 0.4608 8.9242 1.0180 0.4124 1.2287 0.4200 0.4106 0.4455 0.3045 0.6851 0.3289 11.3175 4.0132 0.4625 0.7099 1.0645 0.4578 2.6009 2.5573 0.3504 0.4081 0.4163 2.9764 0.3478 0.5929 0.4029 2.6414 0.6695 0.2935 0.3436 0.3261 0.3274 0.3680 0.3094 0.3001 1.3704 1.3901 1.4593 0.6199 0.3352 0.3796 0.5483 0.3087 0.4279 0.3847 0.3385 1.3739 0.7346 0.8923 0.3591 0.3400 2.1668 1.1144 0.3374 0.3690 0.2790 0.2803 0.3416 0.3447 2.2037 1.5859 0.3615 2.3793 0.8362 0.3825 1.0696 0.3941 0.4546 0.3532 0.2934 0.7799 0.8565 0.4271 0.4762 0.2847 0.3792 0.3399 1.4153 0.6325 0.3502 4.2723 7.7223 0.3067 0.2726 0.4096 0.3937 1.1861 0.8810 0.7802 0.7989 0.3744 7.7326 0.3925 0.8349 0.3353 0.3284 0.2448 0.2493 0.2956 0.2544 3.6240 0.2180 0.2669 0.2756 1.0954 0.2397 0.2595 0.2016 0.2723 0.7881 0.2364 0.3639 0.2002 0.3247 0.8411 0.2159 3.0251 1.4470 2.0231
YM-47515 0.8445 0.5646 0.8706 0.5769 0.7896 0.6897 1.1864 1.0050 0.7881 0.6972 0.8598 0.9402 1.0212 1.1344 0.7686 1.1642 0.8713 0.7685 0.9715 0.5923 0.5565 1.1009 0.9330 1.7768 0.7547 0.3490 0.7703 1.0653 0.6694 0.9014 1.2915 1.1523 0.9403 0.9647 1.0595 0.5725 1.4342 1.1717 1.3576 1.0231 4.5711 1.2583 0.7472 0.9827 1.1892 1.1012 1.0125 0.7921 1.0910 0.7350 1.3737 0.8919 0.7406 0.6088 1.3768 1.5963 0.9030 0.6763 0.6128 0.8029 0.6408 0.5357 0.8314 1.0429 0.5228 1.1523 0.6293 0.7779 1.3436 0.9918 1.3596 0.7325 1.5619 0.3984 0.9524 1.1149 0.7586 0.9327 0.7220 0.8861 1.2582 1.2215 1.1294 0.8291 0.8804 0.7848 1.2044 1.1310 0.7063 0.9163 0.9640 0.8780 1.1084 1.0906 0.9794 0.8001 1.9578 0.9228 0.8962 1.1078 1.2728 0.9615 1.1357 1.1120 0.7736 0.9762 1.2459 0.7528 0.6786 0.8890 1.2958 1.2035 0.4508 0.5404 0.8724 2.1191 1.1530 0.6916 1.8779 1.0822 0.7601 2.2180 0.9907 0.6003 1.0690 0.7032 0.4625 0.9536 0.9714 1.4235 1.1857 1.0820 1.4732 1.8394 1.6325 2.3497 1.0332 0.8487 1.3893 1.8757 1.9194 1.0384 0.7020 1.4489 1.3787 1.2712 1.0881 0.8580
(Z)-N-16-hydroxyhexadec-9-enoyl-L-alanine methyl ester 1.2610 0.8015 0.9797 0.2224 0.3802 1.1116 0.0148 0.1865 0.1418 0.7350 0.5369 0.6791 1.9452 1.3460 4.0580 0.3640 0.4461 1.3715 0.6438 0.0106 1.7203 3.2298 3.3767 0.1184 0.4416 0.0049 1.1472 0.3869 0.0073 1.5087 1.0839 0.4247 0.0386 1.4958 0.2610 0.1191 0.2954 0.2580 0.8449 1.3826 1.9028 7.7380 0.2713 0.6530 1.6229 0.8189 0.6317 0.3901 0.9067 5.9442 1.1611 1.2140 0.4983 0.5747 0.9497 1.4506 0.2072 1.2886 0.0212 0.1297 4.2831 0.8537 0.5329 0.3136 0.2228 0.3700 0.8320 0.3015 1.6220 0.6537 0.2736 0.3831 0.4246 0.7059 0.4784 1.6779 0.6941 0.5863 0.4761 21.8576 0.6221 0.8407 0.0102 1.7570 0.5341 0.3358 0.5485 3.3529 4.8735 1.5090 0.4493 0.9141 0.2601 0.5664 1.3286 0.6761 0.5808 1.4228 0.4972 0.7293 0.4256 0.0694 0.4356 0.6239 0.0832 3.5876 0.4774 0.0186 1.0433 0.4565 1.5640 1.9441 0.3432 1.5815 1.2910 0.3739 0.9267 0.8299 2.7829 0.0880 0.0071 1.3876 0.4382 0.8009 0.2655 0.3387 0.1349 0.3248 0.3048 0.6552 0.6559 0.2876 0.5423 2.9797 0.4684 0.8923 1.2334 0.2200 0.3932 0.3272 0.7846 0.9463 0.5804 1.5006 0.2656 0.3642 0.7567 0.8285
γ-L-glutamyl-L-leucine 0.9407 0.8130 1.0222 0.5275 1.0121 1.5015 1.0409 0.6358 1.0431 0.7497 1.1795 0.7802 0.8682 1.0590 1.3080 1.2943 0.9110 1.7576 0.9548 1.3146 0.8635 0.6665 0.7230 0.8010 0.7481 1.5556 0.9909 1.1729 1.0177 1.8738 1.1109 0.9797 0.6669 0.5983 1.8718 0.6758 1.0636 0.6523 1.5675 0.8986 1.0860 0.8838 0.7779 0.7878 1.1948 0.5176 1.0785 0.7112 1.3579 0.8888 1.0686 0.8710 0.8776 0.8717 2.3732 1.5986 0.7983 0.5829 1.0580 1.1099 1.0484 1.0985 0.9141 0.7546 0.7820 0.9586 0.6303 0.5700 0.8472 0.6818 1.1311 0.9926 1.5567 0.4854 0.9895 1.1709 1.4446 1.2435 0.7910 0.7737 0.9505 1.0347 1.7247 1.6912 1.5195 0.8891 0.9867 0.9734 0.7928 2.3263 1.2780 1.0586 1.2523 0.7121 1.1299 1.5175 0.9836 0.7057 0.9455 1.3984 0.9563 2.0283 1.0346 1.3858 0.8433 1.7002 1.3100 0.8641 0.6099 0.8018 1.4542 0.8444 0.6792 0.6515 1.3046 1.2045 1.1236 1.7902 1.4237 1.1640 2.1220 2.0978 1.2072 0.9971 1.2211 1.4885 1.6650 1.0068 0.6868 1.8347 1.0237 0.7934 0.5939 1.2481 1.4110 2.2337 1.4687 1.1196 0.9887 1.2745 1.1620 1.1295 0.8923 1.6503 1.2462 0.8620 0.5973 1.3913
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Factors:

F1Sample type:HHEAR_H-2JWW7-PH-00
F2Sample type:HHEAR_H-2JWX4-PH-00
F3Sample type:HHEAR_H-2JX01-PH-00
F4Sample type:HHEAR_H-2JX43-PH-00
F5Sample type:HHEAR_H-2JXX3-PH-00
F6Sample type:HHEAR_H-2JYK1-PH-00
F7Sample type:HHEAR_H-2JYR6-PH-00
F8Sample type:HHEAR_H-2JYY0-PH-00
F9Sample type:HHEAR_H-2JZ25-PH-00
F10Sample type:HHEAR_H-2JZ66-PH-00
F11Sample type:HHEAR_H-2JZM6-PH-00
F12Sample type:HHEAR_H-2JZN3-PH-00
F13Sample type:HHEAR_H-2JZQ7-PH-00
F14Sample type:HHEAR_H-2JZR5-PH-00
F15Sample type:HHEAR_H-2K025-PH-00
F16Sample type:HHEAR_H-2K058-PH-00
F17Sample type:HHEAR_H-2K066-PH-00
F18Sample type:HHEAR_H-2K082-PH-00
F19Sample type:HHEAR_H-2K0G9-PH-00
F20Sample type:HHEAR_H-2K0L8-PH-00
F21Sample type:HHEAR_H-2K0M6-PH-00
F22Sample type:HHEAR_H-2K0V6-PH-00
F23Sample type:HHEAR_H-2K0W4-PH-00
F24Sample type:HHEAR_H-2K124-PH-00
F25Sample type:HHEAR_H-2K132-PH-00
F26Sample type:HHEAR_H-2K140-PH-00
F27Sample type:HHEAR_H-2K157-PH-00
F28Sample type:HHEAR_H-2K1B9-PH-00
F29Sample type:HHEAR_H-2K1L7-PH-00
F30Sample type:HHEAR_H-2K1V5-PH-00
F31Sample type:HHEAR_H-2K215-PH-00
F32Sample type:HHEAR_H-2K223-PH-00
F33Sample type:HHEAR_H-2K264-PH-00
F34Sample type:HHEAR_H-2K298-PH-00
F35Sample type:HHEAR_H-2K2A0-PH-00
F36Sample type:HHEAR_H-2K2B8-PH-00
F37Sample type:HHEAR_H-2K2C6-PH-00
F38Sample type:HHEAR_H-2K2G7-PH-00
F39Sample type:HHEAR_H-2K2U6-PH-00
F40Sample type:HHEAR_H-2K363-PH-00
F41Sample type:HHEAR_H-2K3G6-PH-00
F42Sample type:HHEAR_H-2K3H4-PH-00
F43Sample type:HHEAR_H-2K3L5-PH-00
F44Sample type:HHEAR_H-2K3Q4-PH-00
F45Sample type:HHEAR_H-2K3U5-PH-00
F46Sample type:HHEAR_H-2K3W1-PH-00
F47Sample type:HHEAR_H-2K439-PH-00
F48Sample type:HHEAR_H-2K454-PH-00
F49Sample type:HHEAR_H-2K462-PH-00
F50Sample type:HHEAR_H-2K4D1-PH-00
F51Sample type:HHEAR_H-2K4H3-PH-00
F52Sample type:HHEAR_H-2K4P5-PH-00
F53Sample type:HHEAR_H-2K4T6-PH-00
F54Sample type:HHEAR_H-2K4U4-PH-00
F55Sample type:HHEAR_H-2K538-PH-00
F56Sample type:HHEAR_H-2K561-PH-00
F57Sample type:HHEAR_H-2K595-PH-00
F58Sample type:HHEAR_H-2K5B5-PH-00
F59Sample type:HHEAR_H-2K5G4-PH-00
F60Sample type:HHEAR_H-2K5V1-PH-00
F61Sample type:HHEAR_H-2K5W9-PH-00
F62Sample type:HHEAR_H-2K5X6-PH-00
F63Sample type:HHEAR_H-2K5Y4-PH-00
F64Sample type:HHEAR_H-2K678-PH-00
F65Sample type:HHEAR_H-2K694-PH-00
F66Sample type:HHEAR_H-2K6A6-PH-00
F67Sample type:HHEAR_H-2K6C2-PH-00
F68Sample type:HHEAR_H-2K6L2-PH-00
F69Sample type:HHEAR_H-2K6Q1-PH-00
F70Sample type:HHEAR_H-2K6R9-PH-00
F71Sample type:HHEAR_H-2K777-PH-00
F72Sample type:HHEAR_H-2K7B3-PH-00
F73Sample type:HHEAR_H-2K7J5-PH-00
F74Sample type:HHEAR_H-2K7M9-PH-00
F75Sample type:HHEAR_H-2K7P2-PH-00
F76Sample type:HHEAR_H-2K7Q0-PH-00
F77Sample type:HHEAR_H-2K7T3-PH-00
F78Sample type:HHEAR_H-2K7V9-PH-00
F79Sample type:HHEAR_H-2K7W7-PH-00
F80Sample type:HHEAR_H-2K801-PH-00
F81Sample type:HHEAR_H-2K843-PH-00
F82Sample type:HHEAR_H-2K850-PH-00
F83Sample type:HHEAR_H-2K884-PH-00
F84Sample type:HHEAR_H-4M3Q8-PH-00
F85Sample type:HHEAR_H-6DK03-PH-00
F86Sample type:HHEAR_H-6DK52-PH-00
F87Sample type:HHEAR_H-6DLS5-PH-00
F88Sample type:HHEAR_H-6DNJ3-PH-00
F89Sample type:HHEAR_H-6DP16-PH-00
F90Sample type:HHEAR_H-6DQH5-PH-00
F91Sample type:HHEAR_H-6DR89-PH-00
F92Sample type:HHEAR_H-6DS21-PH-00
F93Sample type:HHEAR_H-6DSF7-PH-00
F94Sample type:HHEAR_H-6DT79-PH-00
F95Sample type:HHEAR_H-6DU11-PH-00
F96Sample type:HHEAR_H-6DUV0-PH-00
F97Sample type:HHEAR_H-6DVA5-PH-00
F98Sample type:HHEAR_H-6DW19-PH-00
F99Sample type:HHEAR_H-6DWU0-PH-00
F100Sample type:HHEAR_H-6DX67-PH-00
F101Sample type:HHEAR_H-6DXR6-PH-00
F102Sample type:HHEAR_H-6DZY8-PH-00
F103Sample type:HHEAR_H-6E0X0-PH-00
F104Sample type:HHEAR_H-6E2G6-PH-00
F105Sample type:HHEAR_H-6E4G4-PH-00
F106Sample type:HHEAR_H-6E4J7-PH-00
F107Sample type:HHEAR_H-6E537-PH-00
F108Sample type:HHEAR_H-6E958-PH-00
F109Sample type:HHEAR_H-6EAW6-PH-00
F110Sample type:HHEAR_H-6EBL9-PH-00
F111Sample type:HHEAR_H-6ECY9-PH-00
F112Sample type:HHEAR_H-6ED08-PH-00
F113Sample type:HHEAR_H-6EDR4-PH-00
F114Sample type:HHEAR_H-6EE15-PH-00
F115Sample type:HHEAR_H-6EF89-PH-00
F116Sample type:HHEAR_H-6EG88-PH-00
F117Sample type:HHEAR_H-6EHT5-PH-00
F118Sample type:HHEAR_H-6EJ85-PH-00
F119Sample type:HHEAR_H-6EJL1-PH-00
F120Sample type:HHEAR_H-6EK01-PH-00
F121Sample type:HHEAR_H-6EK76-PH-00
F122Sample type:HHEAR_H-6ELB1-PH-00
F123Sample type:HHEAR_H-6ELQ8-PH-00
F124Sample type:HHEAR_H-6EMA2-PH-00
F125Sample type:HHEAR_H-6EPB7-PH-00
F126Sample type:HHEAR_H-8CZF1-PH-00
F127Sample type:HHEAR_H-9K5J0-PH-00
F128Sample type:HHEAR_H-BGRT9-PH-00
F129Sample type:HHEAR_H-BU6E9-PH-00
F130Sample type:HHEAR_H-CG704-PH-00
F131Sample type:HHEAR_H-CJMW0-PH-00
F132Sample type:HHEAR_H-D2R10-PH-00
F133Sample type:HHEAR_H-FLQM1-PH-00
F134Sample type:HHEAR_H-JDQC6-PH-00
F135Sample type:HHEAR_H-K00C2-PH-00
F136Sample type:HHEAR_H-K3CQ6-PH-00
F137Sample type:HHEAR_H-MUPA1-PH-00
F138Sample type:HHEAR_H-P5AX2-PH-00
F139Sample type:HHEAR_H-S0393-PH-00
F140Sample type:HHEAR_H-SSV91-PH-00
F141Sample type:HHEAR_H-UE817-PH-00
F142Sample type:HHEAR_H-VTVD1-PH-00
F143Sample type:HHEAR_H-WPVY3-PH-00
F144Sample type:HHEAR_H-XM2W0-PH-00
F145Sample type:HHEAR_H-YEZ27-PH-00
F146Sample type:HHEAR_H-YTAE7-PH-00
F147Sample type:HHEAR_ref
F148Sample type:NIST
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