Group1_11 Group1_11 Group1_12 Group1_12 Group1_13 Group1_13 Group1_14 Group1_14 Group1_15 Group1_15 Group2_21 Group2_21 Group2_22 Group2_22 Group2_23 Group2_23 Group2_24 Group2_24 Group2_25 Group2_25 Group3_31 Group3_31 Group3_32 Group3_32 Group3_33 Group3_33 Group3_34 Group3_34 Group3_35 Group3_35 Group1_6 Group1_6 Group1_7 Group1_7 Group1_8 Group1_8 Group1_9 Group1_9 Group1_10 Group1_10 Group2_16 Group2_16 Group2_17 Group2_17 Group2_18 Group2_18 Group2_19 Group2_19 Group2_20 Group2_20 Group3_41 Group3_41 Group3_42 Group3_42 Group3_43 Group3_43 Group3_44 Group3_44 Group3_45 Group3_45 Group1_1 Group1_1 Group1_2 Group1_2 Group1_3 Group1_3 Group1_4 Group1_4 Group1_5 Group1_5 Group2_26 Group2_26 Group2_27 Group2_27 Group2_28 Group2_28 Group2_29 Group2_29 Group2_30 Group2_30 Group3_36 Group3_36 Group3_37 Group3_37 Group3_38 Group3_38 Group3_39 Group3_39 Group3_40 Group3_40 Mass Compound 25jun12_15-r001(raw) 25jun12_15-r002(raw) 25jun12_16-r001(raw) 25jun12_16-r002(raw) 25jun12_17-r001(raw) 25jun12_17-r002(raw) 25jun12_18-r001(raw) 25jun12_18-r002(raw) 25jun12_19-r001(raw) 25jun12_19-r002(raw) 25jun12_20-r001(raw) 25jun12_20-r002(raw) 25jun12_21-r001(raw) 25jun12_21-r002(raw) 25jun12_22-r001(raw) 25jun12_22-r002(raw) 25jun12_23-r001(raw) 25jun12_23-r002(raw) 25jun12_24-r001(raw) 25jun12_24-r002(raw) 25jun12_25-r001(raw) 25jun12_25-r002(raw) 25jun12_26-r001(raw) 25jun12_26-r002(raw) 25jun12_27-r001(raw) 25jun12_27-r002(raw) 25jun12_28-r001(raw) 25jun12_28-r002(raw) 25jun12_29-r001(raw) 25jun12_29-r002(raw) 25jun12_31-r001(raw) 25jun12_31-r002(raw) 25jun12_32-r001(raw) 25jun12_32-r002(raw) 25jun12_33-r001(raw) 25jun12_33-r002(raw) 25jun12_34-r001(raw) 25jun12_34-r002(raw) 25jun12_35-r001(raw) 25jun12_35-r002(raw) 25jun12_36-r001(raw) 25jun12_36-r002(raw) 25jun12_37-r001(raw) 25jun12_37-r002(raw) 25jun12_38-r001(raw) 25jun12_38-r002(raw) 25jun12_39-r001(raw) 25jun12_39-r002(raw) 25jun12_40-r001(raw) 25jun12_40-r002(raw) 25jun12_41-r001(raw) 25jun12_41-r002(raw) 25jun12_42-r001(raw) 25jun12_42-r002(raw) 25jun12_43-r001(raw) 25jun12_43-r002(raw) 25jun12_44-r001(raw) 25jun12_44-r002(raw) 25jun12_45-r001(raw) 25jun12_45-r002(raw) 25jun12_47-r001(raw) 25jun12_47-r002(raw) 25jun12_48-r001(raw) 25jun12_48-r002(raw) 25jun12_49-r001(raw) 25jun12_49-r002(raw) 25jun12_50-r001(raw) 25jun12_50-r002(raw) 25jun12_51-r001(raw) 25jun12_51-r002(raw) 25jun12_52-r001(raw) 25jun12_52-r002(raw) 25jun12_53-r001(raw) 25jun12_53-r002(raw) 25jun12_54-r001(raw) 25jun12_54-r002(raw) 25jun12_55-r001(raw) 25jun12_55-r002(raw) 25jun12_56-r001(raw) 25jun12_56-r002(raw) 25jun12_57-r001(raw) 25jun12_57-r002(raw) 25jun12_58-r001(raw) 25jun12_58-r002(raw) 25jun12_59-r001(raw) 25jun12_59-r002(raw) 25jun12_60-r001(raw) 25jun12_60-r002(raw) 25jun12_61-r001(raw) 25jun12_61-r002(raw) HMP ID KEGG ID Mass *55.0041* 55.0041@0.70383304 1 2153 1 1190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1093 1 1 1592 1 1 1 1 1 1 1 2506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55.0041 *55.0042* 55.0042@0.73356515 1 1480 1 1165 1 1 1 1 3119 1 1 1489 1722 1 1 1 1 1 2446 1 1 1 1 1 1 1 1 1 2549 1 2391 1 1 1 2311 1756 2733 1 1 1 1 1 1 1618 1 1023 1237 3751 1 2704 1215 1 2884 1 1 1015 1 1 1565 1 2153 1 1 1 1 1 1 1 1924 1 1 1 1 1 1 1863 1 1 1036 1 1 1 1 1 1 1 1 1 1 2204 55.0042 *55.0044* 55.0044@0.6669712 1 2120 1785 2235 1 2033 1 1 1910 2446 1335 2846 1086 3401 1 1 1 2107 1042 1 1 2797 2169 1 1 2514 1903 1 1232 1 2117 1232 1 1 1077 2785 1153 1993 1 3567 1695 1 3648 1417 1507 1925 1244 1273 1 1331 3436 1 2486 2252 2205 1246 1229 2185 1738 1 1409 1 1 2694 1289 1927 1 1 1205 1085 1024 1940 1 1 2067 2520 2244 1 2093 1793 2567 1 1 1765 2801 1218 1869 1 1216 1926 55.0044 *55.0045* 55.0045@0.66200733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55.0045 *57.0576* C3 H7 N 1 1 1 1 4285 4854 1622 1457 1 1 1104 1 1 1 1 1 1019 1324 1 1 1255 1 1 1 1 1 1481 1887 1 1 1785 2052 1 1308 1 1 1 1 1 1072 3120 3588 1319 1481 1 1 1393 1435 1561 1456 1 1 1 1 1 1 1362 1345 1 1 1752 1356 1232 1262 1 1184 2098 1761 1 1 1 1 1 1 1005 1163 1 1 1 1 1 1109 1 1 1756 1773 2127 1834 1 1 57.0576 *57.0577* 57.0577@4.933059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57.0577 *58.0418* 58.0418@3.542268 1 1 1 1 1 1 1 1 1 1 15003 1473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24861 27084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58.0418 *58.0423* 58.0423@3.6578891 1 1 1 1 1 1 1 1 1 1 4571 4386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6476 7326 1 1 1 1 1 1 1366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58.0423 *58.0528* 58.0528@14.837938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2216 1 1 1 1 58.0528 *58.053* 58.053@12.917299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58.053 *58.0531* 58.0531@14.319753 1 1 1 2468 1 3870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2412 1 2993 1 1 1 1 1 1 1 1650 1646 3665 1 1 1 1882 1 1 1 1 1 1 1 1540 1 1 1 1 1 1 1384 1 1 1 1 1 3227 1 1 2968 1 1 1 1 1 1 1 1 1 2668 1 1 1530 1 1 1 4400 58.0531 *58.0531* 58.0531@14.077879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5212 1 1 1 1 58.0531 *58.0532* 58.0532@14.288922 1 1 1 3078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4117 5250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2302 1 1 1 1 1 1 3798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1432 1 1 1 1 58.0532 *58.0532* 58.0532@13.752513 1 1 1 1 1 1 1 1 1 1 2241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3614 1 1 1 1 58.0532 *58.0533* 58.0533@14.796475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2282 1 1 1 1 58.0533 *58.0535* 58.0535@14.38088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1430 1 1 1 1 58.0535 *58.0535* 58.0535@14.552917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1725 1 1 1 1 58.0535 *58.0543* 58.0543@5.919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58.0543 *58.0657* 58.0657@0.9488618 1 1 1 1 3335 3051 1136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1020 1 1 1 1 1017 1 1 1 1 1 1 1 1 1 1554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1150 1 1 58.0657 *59.0367* 59.0367@1.1801711 1 1 2418 1 2198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1440 1766 1 2258 2592 1 2546 1 2317 2329 1 1 1226 2551 2422 2329 2649 1 1204 1 1 1 1117 1 3682 1976 2006 1 1826 2538 1 1528 1 2775 1 1 1 1 1 1 2165 1 1 1 1972 1 1927 1 1182 2304 1 1 1 1 1 1 1 1 2228 1 1 1 1 1 1 1 1 1647 1636 59.0367 *59.0367* 59.0367@2.511994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59.0367 *59.0368* 59.0368@0.7493361 1 2912 1 2769 3855 1 3530 1 1 1 1 1296 1 2997 1 1 1 1 1 1 1 1 1 1 3565 1 1 1 1 1 1 1 2516 6099 1 1 1 1 1 1573 1 1 1 1 1 1425 1 5894 1 1 1 2256 1 1 3315 1 1429 1 1 1 1 1817 3271 1 3707 1 1 2438 3160 1 1 1562 1 1 1 4040 1 3025 1 6151 1 1 1 2774 2146 1 1 1 1 5355 59.0368 *59.0368* 59.0368@2.380422 1 1 1 1002 1 1 1 1 1469 1 1 1 1 1 1 1 1 1263 1 1 1 1 1 1740 1 1 1 1 1 1 1 1 1 1 1792 1 1 1 1360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1051 1 1 1 1 2164 1 1 1 1 1 1 1559 1 1 1 1 1 1142 1 1 1 1225 1 1915 1 1 1 1 1 1 1 2109 1 1 1116 1235 59.0368 *59.0369* 59.0369@0.6402196 1 1 1 3852 1 1 1626 1 1 1 1 1953 1 1 3647 1 1 1 4489 1 1770 3228 1 4599 1 1 2441 1 1 1 1 1 1 1 1 1 1 4863 1 1 1 1 1 1 1 3827 1 1 1 1 1 2631 1 1 1 1 1211 1 1 1 1 3868 2009 1 2911 1 1 1 1 1 1 3231 2648 1 1 4612 1 1 1 1 1 1 1 3754 1958 1 4431 1 1 4461 59.0369 *59.037* 59.037@2.7529132 1 1284 1 1 1 1 1 1 1 1198 1 1 1 1 1435 1 1 1 1 1 1 1 1019 1217 1 1 1 1 1583 1 2712 1 1 1 1 1 1 1 1 1547 1 1 1 1121 1 1 1 1 1 1 1 1 1 1009 1 1850 1133 1 1 1 1 1 1 1 1378 3969 2783 1 1 1 1 1 1 1 1 2481 1 1 1 1425 1 1925 3935 1721 1 1 1514 1 1 1 59.037 *59.037* 59.037@2.9439192 1 3233 1 2122 4219 1 2094 4609 5054 5360 4706 5461 1 1 5344 1 4041 3809 3050 1 1 3150 4112 3016 6389 1 1 1 1 1 2318 4014 1 2956 3001 1 1 1 4010 3165 1 1 4499 1 3350 3640 3361 3752 1 1 1 1 1 1 1 1 1989 1 1 2546 1 1 1 1 1 1 1 1862 1 1 1 1 1 1150 1 1 3133 1 1 1 1 2151 1 1 1 1 1 1 3110 1632 59.037 *59.037* 59.037@1.5590072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59.037 *59.0371* 59.0371@2.9048762 1 1 1 1253 1 1 3442 1 1 1 1 1 5483 1 1 1 1 1 1 1 1 1 1 2245 1 1 1 1 1 1 1565 1 1 1 1471 1 1 1 1 1 1 1 1 1 1 1 1763 1 1 1686 3581 1 2030 1 1 1 1462 1 1 1 4000 2887 1 4880 1686 1 4748 1 1 4385 1 1 3953 1307 4997 6044 1929 1 6635 3098 7002 1642 1 4535 2715 1 1 1 1 1623 59.0371 *59.0371* 59.0371@2.0662067 1 1338 1031 1229 1 1 1006 1 1 1844 1 1064 1 1 1 1 1 1 1 1 1 1 1 1574 1 1 1105 1178 1 1 1970 1 1756 1 1 1 1 1 1209 1 1 2224 1 1 1 1 1 1 1 1 1114 1 1 1032 1 1 1 1 1 1223 1 1 1 1 1 1 1 1 1 1697 2657 1 1 1 1 1 1 1 1 1 1011 1 1 1 1138 1 1 1 1 1 59.0371 *59.0371* 59.0371@1.1035243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 3109 1 1 1 1 1 1 1 1 1 1 1 1 2604 1 1 1 1 1 1 1 1 1 1 2830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59.0371 *59.0372* 59.0372@0.7398223 2986 1384 1 1 1 1 1475 1593 2082 1 1 4217 1 1 1 1 1 1 1 1471 1 1 4757 1891 1 1 1 1 1 1627 1 1 1 1 1 1 3813 4784 1 1 1 4638 1750 1 1 1 1 1 3545 1 1 4444 1 3000 1544 1 1430 1 1 1 4354 2160 3331 1 1 1 1 1751 1 1 1 2946 6074 3086 1 1 1 5557 1 1 1 1 2111 1 2413 7234 4468 1 6121 2076 59.0372 *59.0372* 59.0372@2.8567085 1 1 1 1389 3126 1 1661 1332 1 1 1699 1852 1018 1 1 1 1 1 1 1 1985 3952 1 1492 1 1 1 2111 1575 1 1 1988 1 1741 1 1 1 1 1667 1 1 4207 2158 1 2592 1 1 1 1 1 1 1773 1 1 1940 1 1678 1 1 1855 1 1 1 1 1 1 1 2168 1 1 1 2173 1 1423 1 1 1 1 1 1560 1 1884 1 1632 1 1 1 1 1 1 59.0372 *59.0372* 59.0372@1.0810068 1 3020 1 1 3667 3019 1715 1 1 1 1 1 1 1 1 3776 2085 1 4542 1 1 1691 1 2095 1 2993 1 1180 2721 2913 1229 2261 1 1 1 3568 2648 5191 1 1 1 1 1 1491 1363 3433 1 1 1 2089 2071 1 4474 1 1695 3828 1 1 2521 1 3572 1 1 1 1 1 1 1287 1 1 1 1 1265 1 1 1 1 1964 1 2342 1 1 1 1031 1 1 1 3185 1 1 59.0372 *59.0372* 59.0372@1.506007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59.0372 *59.0373* 59.0373@1.7540169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2005 1 1 1 1 3115 1680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59.0373 *59.0374* 59.0374@1.496866 1 1 1 1 1 1 1 1 1 1487 1 1 1 1 1 1 1008 1 1 1 1 1 1 1 1 1 1893 1807 1 1 1 1 1 1 1 1019 1 1 1 1489 1 1 1 1 1 1 1 1365 1 1 1 1 1 1 1 1 1 1 2165 1 1 1 1594 1 1587 1 1 1048 1 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1445 1796 1 1 59.0374 *59.0723* 59.0723@0.93300325 1 1 1 1 1 1553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1092 1 1 1 1 1 1 1 1 1 1 1 59.0723 *60.0322* Urea 23720 62058 44092 16521 36702 43020 29966 42338 20123 34600 47396 1 64899 36255 65391 40490 1 1 1 55304 79261 61522 1 43262 97167 28997 18924 1 114377 1 36429 73933 62976 29164 105272 50156 122743 1 25690 25806 1 65566 1 30153 40187 77543 29793 79237 51892 1 51412 44205 58615 93484 56690 53178 17575 69745 1 1 49763 1 1 32007 42628 23511 53008 36839 52120 1 39745 1 126336 22434 48666 1 1 1 80126 148588 121733 1 1 1 89871 39837 1 37850 1 17114 HMDB00294 C00086 60.0322 *60.0322* Urea + 0.72563285 1 14605 26372 37786 26768 17150 1 27936 42819 1 59847 1 1 38255 1 1 1 1 1 1 23093 1 75765 34004 1 24519 44366 1 1 87505 37933 37139 63482 1 1 36273 1 1 13307 1899 1 1 1 49912 50235 1 44309 76074 41706 1 41976 47281 74434 26394 6404 72484 20722 66805 35271 1 75480 1 1 40713 39589 31118 41875 75909 60618 1 45383 1 1 84865 86599 1 1735 1 1 1 32285 1 1 1 1 51524 1 62763 7559 66346 HMDB00294 C00086 60.0322 *60.0322* 60.0322@1.4809932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4356 1 3717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4240 1 1 1 1 60.0322 *60.0322* 60.0322@0.6830079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60.0322 *60.0323* 60.0323@0.99754417 1 1 1 1 1 1 13197 1 1 11523 1 12738 1 1 1 7943 1 1 1 1 1 1 110941 1 1 1 1 1 1 1 1 1 8083 1 1 1 1 8853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60.0323 *60.0323* 60.0323@1.1439337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60.0323 *60.0323* 60.0323@1.1999279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60.0323 *60.0324* Urea + 0.91156 282339 271875 374050 399975 335481 330539 358370 358061 309210 304526 445770 438512 289356 300592 290104 283183 267928 274380 331332 341202 362957 354331 53570 294923 388962 414249 341224 598056 381965 378317 369092 372680 316130 317946 375374 371022 162204 292779 202660 363815 312886 312495 327293 320035 332652 329385 257946 428527 399566 410722 374296 365128 283217 282690 383369 391072 197053 350516 319896 319154 394447 397549 398935 224237 366087 371529 684685 398771 400038 244136 371826 375050 413965 408083 371386 320134 383955 395457 378440 383301 371835 379342 405447 415641 279985 500160 494021 302636 301761 303238 HMDB00294 C00086 60.0324 *60.0324* 60.0324@1.122505 1 1 1 26971 1 1 12778 1 1 1 1 1 1 1 1 57436 1 1 1 1 1 1 1 1 1 1 24129 1 1 1 1 16619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10158 1 1 1 1 1 1 9057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19257 1 1 1 1 60.0324 *60.0324* 60.0324@2.2189734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60.0324 *60.0327* 60.0327@12.911304 1 1 1 1 1 1 1 1 1028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60.0327 *61.0339* 61.0339@0.934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61.0339 *61.0521* 61.0521@1.2420313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1661 1305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61.0521 *62.0366* 62.0366@0.90902215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1072 1 1 1 62.0366 *63.0086* 63.0086@0.8150187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1094 1 1 1 63.0086 *64.0312* 64.0312@3.593702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4406 2230 64.0312 *65.0114* 65.0114@0.77680594 1241 1063 1325 1 1 1091 1 1147 1 1 1048 1 1312 1084 1 1 1399 1301 1 1104 1275 1 1280 1311 1 1 1292 1 1207 1 1151 2812 2541 2900 1102 2540 1288 2867 1 2094 1126 1 1089 1069 1128 1070 1316 2663 1243 1426 1423 2408 2541 1337 1 1454 1 2802 1521 1 1079 1 1500 1352 1 1 1182 2701 1435 1481 1208 1246 1174 1 1115 1319 1411 1284 1127 1 2323 1448 2769 3064 2473 2712 1285 1141 2243 1 65.0114 *66.0209* C3 H2 N2 1 1 2261 1 1 1 2304 1 1706 1 1 1695 1955 1 1 1 1538 1860 2461 1 1217 1 1 2381 1 1724 1 1450 1 1 2285 1 2114 3347 1835 1 1788 1 1905 2766 1 1 1 1 1110 2120 2600 1 1 1 1 1 1 1 1 1903 1 1 1 1917 1495 2005 1 2011 1405 2341 2245 1632 2602 1 1 1 2523 2190 2299 2562 2639 1 2431 1 1 2771 1873 1 2161 1 1 1 1908 2489 66.0209 *66.0218* 66.0218@1.1394938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66.0218 *66.022* 66.022@7.7254176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66.022 *66.022* 66.022@5.445421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66.022 *66.0222* 66.0222@6.022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66.0222 *66.0222* 66.0222@6.133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66.0222 *66.0222* 66.0222@0.6341329 1 1 1266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3112 1 1 1 1 1 1 1 1 1 1390 1 1 1 1 1 1 1 1423 1 1481 1847 1 1 1 1 1 1630 1 1 1 1 1 1 1 66.0222 *66.0227* 66.0227@1.9969075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66.0227 *66.9601* 66.9601@6.980499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66.9601 *66.9608* 66.9608@6.384241 1 1 1 1 1 1 1 1 1 1 1 1077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66.9608 *67.9748* 67.9748@0.77572715 6358 5768 5531 1155 1 5373 5981 5335 6112 5610 5571 1004 5672 6156 5647 6255 5545 5803 5375 5271 1 5093 5942 6142 1055 6407 1121 1066 6063 6136 6029 6694 1 6261 6751 6077 6232 6961 6871 6398 6190 1 1 1391 5977 6702 6104 5660 1271 7174 6426 5944 7084 6745 6496 6160 7010 6475 1 6207 6488 6620 6158 6178 1255 1184 5833 6365 6234 1477 6568 6415 6130 6647 6725 6346 6649 6359 6439 6040 6253 6357 1486 6374 6699 6214 6332 6548 5421 1 67.9748 *68.0274* C4 H4 O 1 2447 2238 2675 3679 3244 3631 3181 2856 1 2476 2666 2889 2924 2625 2487 2677 2673 2682 2842 4697 4184 2752 3042 2802 1 2563 1194 2539 1 3800 3123 1 1 3323 3373 2806 2980 2851 2577 3421 2910 2910 3470 2927 2560 3520 3785 2482 2637 3387 2896 2960 3378 1 2434 1922 3125 1 3155 4048 3286 2643 2934 3139 3757 2045 2188 2380 2687 3017 2888 3187 3786 3550 2507 2689 2767 3090 3513 2327 1 2937 2893 2422 3112 2234 1801 4718 4630 68.0274 *68.0286* 68.0286@0.9151427 1 1 1 1 1 1 1 1 1 2566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3008 1 1273 1 2718 1 1 2511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2677 1 1 1 1 1 1 1 1 68.0286 *68.0367* 68.0367@1.2435145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3172 2265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 68.0367 *68.0373* 68.0373@14.579628 1 1 1 1 1 1 1 2323 1006 1 1078 1523 1 1 1 1111 1 1 1103 1 1 1 1 1390 1 1345 1122 1 1 1097 1092 1004 1 1 1229 2389 1 1 1 1 1258 1 1 1 1477 1 1 1 1 1 1351 1 1914 1586 1 1 1 1694 1 1 1 1064 1 1028 3464 1 1 1325 1 1 1334 1 2330 1 1 1 1511 1352 1 1560 1 1092 1 1 1615 1 1 2156 1223 1208 68.0373 *68.0377* 68.0377@14.411586 1 1 1 1 1 1 1 1058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1084 1 1 1 1328 1 1 1 1 1 1063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1145 1 1 1 1532 1 1 1 1 1 1 1077 1 1098 1 1 1 1 1 1 1 1 1 1 1 1 1 68.0377 *69.0567* 69.0567@6.039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69.0567 *69.0571* 69.0571@3.9636233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1822 1654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69.0571 *69.0574* 69.0574@1.249506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69.0574 *69.0574* 69.0574@1.0239972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69.0574 *69.0575* 69.0575@2.4301395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9303 1 1 1 1 1 1 1 1 1 1 1 69.0575 *69.0577* C4 H7 N 3349 2545 2508 2066 1704 1 2370 2156 2206 2128 1874 1953 1 2489 1928 2095 2531 2491 2909 2769 2219 2561 2109 2297 1911 1982 1444 1314 2286 1772 2713 3100 2495 1 1769 1952 2189 1378 2874 2645 1605 1703 2285 1771 2050 1890 1040 1440 1 1444 1 2031 2009 5060 2295 2448 2479 1 2296 1 1170 1679 2013 1714 1928 1450 1741 2253 2083 2566 1352 2488 1626 2140 2265 2099 1723 1 1671 1577 2447 2471 2320 2726 1824 1913 2383 2184 2281 2267 69.0577 *69.0577* 69.0577@3.0221622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3016 1 1 1 1 1 1 1 1 1 1 69.0577 *69.0578* C4 H7 N + 0.9705055 1 2111 1437 1881 1 1 4744 3677 1 1 3458 4388 1 1 1 3602 3520 5705 3672 4909 1360 1 1 1 1 3300 2103 2789 1 2287 1527 1 1 1 3370 2039 1 1 1763 1 1 1498 2318 3561 1575 1547 1 2541 1 1361 1 3284 1 1 1 1737 1 1 1933 1 3412 4061 2747 3250 5731 3873 1 3238 4416 6370 4148 3663 4501 4662 2798 1818 1933 1 9923 8615 1 1 1 1 2885 3449 4331 6157 2263 1 69.0578 *70.0442* 70.0442@1.2410061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0442 *70.0528* 70.0528@1.193775 1 1 1 1 1883 1746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3770 4066 1 1 1 1 1 1 1 1 3344 2526 1 1 1 1 1 1 4815 5312 3545 4182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1851 2625 1 1 1 1 1 1 1 1 1 1 1 1 1 1089 1 1 1 1 1 1 1 1 1 1 70.0528 *70.0528* 70.0528@2.370124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3035 5256 1 1 1 1 1 1 1 1 1 1 70.0528 *70.0533* 70.0533@2.4211385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4271 1 1 1 1 1 1 1 1 1 1 1 70.0533 *70.078* C5 H10 1231 1280 1 1 1 1055 1 1114 1 1 1098 1 1 1293 1148 1242 1 1 1295 1537 1997 2234 1387 1363 1763 1800 1247 1265 1682 1 1613 1535 1 1 1904 1757 1 1 1 1080 1 1 1 1092 1265 1 1 1157 1 1 1545 1508 1607 1942 1 1020 1293 1 1 1447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1214 1 1 1 1 1 1 1 1 1 1 1 1 1 1051 1134 70.078 *71.0363* 71.0363@1.1900281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1916 2224 1 1 1 1 1 1 1 1 1 1 1 1 1 1287 1 1 1 1 1 1 1 1 1 1 71.0363 *71.037* 71.037@3.3516743 1775 2432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4730 3218 1 1 1 1 1 1 1 1600 1 1 1 1 1 1 71.037 *71.037* 71.037@1.7889998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71.037 *71.0371* 71.0371@2.9935617 1 1 1 1 1959 1900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71.0371 *71.0374* C3 H5 N O 5779 5634 6212 5690 3779 4008 5413 5163 5808 5280 6115 5423 5521 5161 4902 5471 5399 5975 6861 6551 5678 5342 6525 6023 4914 4620 5235 5307 4765 5175 5671 5991 5743 6589 4905 5212 7546 7156 6861 5775 5451 6441 5383 5721 5270 5555 5705 6126 5169 5458 6112 5379 5852 6536 5369 5163 4460 4898 7302 6359 6318 5964 6573 6350 5101 5391 6421 6151 5986 6227 7382 5983 4101 4189 5870 5083 5796 6336 5354 5197 6109 6195 5857 5540 6725 6311 4913 4941 6405 6612 71.0374 *71.0375* 71.0375@1.7080095 1 1 1 1 1 1 1711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1452 1800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1525 1408 1 1 1 1 1 1 1 1 1 71.0375 *71.0727* 71.0727@2.5609224 1 1 1 1 1 1 1 1 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71.0727 *71.0729* 71.0729@3.9771328 1 1 1 1 1 1 1 1996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71.0729 *71.0729* 71.0729@3.3743348 4991 2320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3814 1 1 1 1 1 1 1 1299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71.0729 *71.073* 71.073@1.0132672 2573 1 2080 1 1 1017 3734 3959 1 1 6408 5813 1 1 1 1 1 1112 1 1 1 1 1 1 1 1 1 1 1 1 1 1137 1428 1 1 1 1 1 1416 1 1 1 1 1 1 1 1 1 1221 1 1 1 1 4082 3262 1 2954 2313 1 1 1 1 2584 2636 1314 1 1 1225 1 1028 1745 1 1817 2335 1 1 1279 1 1276 1 1489 2530 1688 1 1408 1 1242 1 1 1 71.073 *71.073* 71.073@1.0450047 1 1 2058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1424 1 1 1 1 1 71.073 *71.0733* C4 H9 N 10197 9690 9390 11431 4957 3615 9802 7201 11753 11208 9433 8380 9598 8743 6054 9533 9319 9386 7091 7392 6341 6683 6737 5550 5874 5631 5679 6040 5147 4499 9033 7022 7606 8995 5310 4403 4974 4524 7785 8751 6934 6629 7204 7778 7197 7587 6781 6529 8842 7108 13516 14268 7966 7869 6507 5095 8273 11083 5299 5855 6198 4891 6132 6256 6094 6775 6253 6263 8665 8675 6205 5954 3778 4702 7036 7165 5309 5224 4276 4763 4875 4408 3601 3688 3920 4594 6164 6072 5217 5339 71.0733 *71.0733* 71.0733@6.099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71.0733 *71.0734* 71.0734@6.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71.0734 *71.0734* 71.0734@0.686 1 1 1 1 1 1842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1106 1 1 1246 1 1 1 1 1 1 1 1 1441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71.0734 *71.0735* C4 H9 N + 1.1753949 66434 66951 97540 94878 95583 93817 117002 122050 81241 83685 2825 3261 75813 75647 77473 86295 102237 97877 92232 96180 87995 81007 65343 64988 106568 104208 101555 99246 52790 52364 93483 89617 65897 66982 80777 80692 73572 77357 69176 68619 60927 73672 1292 113308 79585 81828 113954 115941 65891 67586 79199 80579 108601 103861 75234 78209 59718 59728 57269 57262 97867 1152 2896 2691 103611 100448 57047 57257 101201 1235 69765 1577 175669 186221 76121 75390 111988 112053 89797 91696 1695 50350 72998 74716 84102 84132 163879 164167 59973 58107 71.0735 *71.0735* 71.0735@1.2271358 1022 1 1008 1 1 1 1238 1 1 1 130620 129159 1 1 6189 1 1 1 1 1 1 9385 1 1 1 1428 1 1 1 1 1 1 1 1 1 1 1 1 1155 1 11531 1 113178 1 1 1 1 1 1 1 1 1 1 1 1 1 1598 1 1 1 1 102047 82921 87201 1 1 1 1 1704 101792 1 67291 1 1 1 1 1 1753 1629 1 50927 1 1 1 1007 1 1 1 1 1 71.0735 *71.0735* 71.0735@6.275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71.0735 *71.0735* 71.0735@1.3280145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71.0735 *72.0209* Methylglyoxal 2965 2857 2765 2487 3372 3759 4418 4333 2720 3109 2977 2764 2944 2686 1 2740 3189 3053 3553 3173 3402 3429 4318 2980 2615 2605 2444 2356 2941 2591 3391 3521 2566 2014 3183 2988 3243 3531 2680 1744 3396 3549 3229 3634 3063 2924 3183 3306 2238 2840 2800 2937 3637 3735 2515 3110 2204 2466 2977 3382 3328 3021 2395 2562 2959 2933 2179 2294 2993 2273 3226 2325 3750 3730 2858 2600 2602 2470 2578 3436 3247 2576 3220 2802 2875 2323 2271 2332 3058 3488 C00546 72.0209 *72.0211* 72.0211@1.2053103 1 1 1 1 1 1 1 1 1 1 1 1 7904 2177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72.0211 *72.0571* 72.0571@3.9504576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1286 1 1 72.0571 *72.0575* Tetrahydrofuran 2382 2485 2716 3240 2806 3069 4407 3564 2417 2564 3075 3409 3482 3571 2921 3136 2834 3717 2707 2529 3541 3498 3640 3912 9159 7572 1859 1 3459 2463 6070 5640 3033 2809 1 5231 5558 5788 3148 2960 2241 1266 3315 4387 2520 2433 2251 3068 2671 1734 5749 5682 5818 7383 5924 6043 5833 6206 5530 5899 4982 5110 5473 5578 4993 5831 5013 4943 6043 6320 4822 5739 4662 4826 2776 2929 5350 5644 6990 7707 5493 5374 5105 5126 5253 5171 6137 5165 6873 6925 HMDB00246 72.0575 *72.0575* 72.0575@4.538273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1997 1 1 1 1 1 1 1 1 1 1 72.0575 *73.0162* 73.0162@1.2273437 3078 2835 3453 3592 3955 4113 3712 4006 2688 2948 3780 4144 3803 4382 4458 4619 3838 4238 4724 4256 2988 2835 1122 1218 3964 4352 5476 5102 1499 1567 2900 3320 4638 5067 3471 3310 2815 2856 4995 4887 4219 4305 4929 4723 2964 1 2946 3314 3531 3972 3305 2801 2672 3085 1915 2462 5562 5914 1944 2500 5968 5807 3294 2987 4931 4986 2500 2898 4473 3984 3393 3110 5238 4841 4457 4547 3438 3530 6612 7043 2395 2239 4386 4376 3719 4273 5564 5759 2056 2127 73.0162 *73.0521* 73.0521@3.1510725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1539 1 1219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1550 1 1 1 1 1 1 1 73.0521 *73.0522* 73.0522@4.807395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0522 *73.0523* 73.0523@1.3476152 1 1 1 2455 4412 2659 1 1 2603 1 1 1 1 1 1 2600 1 1 1 3354 1 1 1 1 1757 1 1 1 1 1 1 1 1 5594 1176 1 1061 1 1 1 1 1 2996 1 1 1 1 1 2732 1 1 1569 3664 2707 2639 1485 1 1 1 2079 1 1 1 1153 1 1 1 1 1 1 1 2152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4441 73.0523 *73.0523* 73.0523@2.0609663 1 1 1 1 1 1 1 1 1 1 1 1 1 1545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1097 1 1 1 1 1 1 1 1 1 1 1564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0523 *73.0524* 73.0524@1.7135549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3639 1 1 1 1 1 1 1 1 1 1 1350 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0524 *73.0525* 73.0525@0.6150495 1 1 1 1 1 1 1 7997 1 1 1 1 1 1 6455 1 8148 8691 12999 1 1 7440 1 1 5666 1 8010 1 1 1 1 1 1 1 6235 1 1 1 8361 1 1 1 1 1 1 1 1 1 1 11979 17153 1 10508 1 1 1 5690 1 1 1 6713 1 5120 1 1 1 1 1 1 1 1 1 1 1 1 1 16844 1 1 1 12323 14113 1 1 1 1 1 11013 1 17149 73.0525 *73.0526* 73.0526@0.65597093 18042 19038 1 1 1 1 1 4649 11094 4674 1 23940 22450 1 1 1 1 4324 1 1 9578 1 1 13074 1 21672 1 18781 19364 1 17292 1 19743 1 1 1 19348 1 3267 1 1 18664 4922 1 19812 1 1 13213 1 1 1 1 1 8902 1 1 3554 1 1 1 1 4905 1 8013 23072 14538 1 20327 1 1 1 1 9778 22013 1 1 1 1 7583 1 1 1 24025 1 1 1 1 1 1 1 73.0526 *73.0526* 73.0526@0.72433543 1 1 1 9190 5140 9837 1 1 8755 8150 7715 1297 1 14368 9820 1 1 1 1 1 8859 13356 1 1691 11161 1347 11237 1 1 1 1376 1 1 1 12557 2265 1 1 1 1 1 1 7448 1576 1 1 1 1 11174 8613 5034 1 10663 1 1 1 3213 1 1 1 1 11334 1 11410 1 1 1 1 6907 1125 1 1 9283 1 1 1 11040 1 1 10142 11751 11530 1 1 1 1 1 1667 1 13767 73.0526 *73.0526* 3-Aminopropanal 3895 3971 1 1 2315 1 1 7195 2620 4091 5266 3581 3439 4459 2644 2886 2284 2890 1 1573 1 1 1 2428 1960 2255 1 1784 1 1 2826 1 1 1 1566 2417 1240 1 1 1 3830 3353 1 3767 1 3570 4072 1 1 1442 1457 1 2521 1459 1 2247 3975 1 3175 1 2132 1 6845 1105 1543 1650 1 1911 1656 3172 1 3145 1569 1 1 1 1 1 1 2817 2966 1702 1 1309 1 1831 1 3855 1 1 C02229 73.0526 *73.0526* 73.0526@1.128168 1 1 1 1250 4402 4119 1 1 1 1 1 1 1 1 3281 1 1549 1 1 3524 1 1 1 1 1 1 1 1 1 3916 1 1 1 1 1 1 2647 1 1 1 1 2550 1 1 1 1 1 1 1 1 2519 1 1 1 1 1 1 1 3097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0526 *73.0526* 73.0526@0.90084225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3619 3097 1 1 1 1 3304 1 1 1 1 1 1 1 1 1 1 1 1 4890 1 1 1 1407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0526 *73.0526* 73.0526@2.726002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0526 *73.0527* 73.0527@1.0999993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0527 *73.0529* 73.0529@1.2912776 1 1 1 1289 1 1776 1 1 1737 1 1 1 1 1 1 1 1 1 1 1128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1663 1 1 1 1 1 1 1 1 1 1 1 1 1285 1 1 1 1 1 73.0529 *73.0529* 73.0529@2.4025187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1283 1 1 1 1 1 1 1 1399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0529 *73.0533* 73.0533@3.9170146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0533 *73.0641* 73.0641@0.9670185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1489 1 1 1 1 1 1 1 1982 1 1 28514 28601 1 1 1 1 1 1 1 1 1 1 73.0641 *73.0868* 73.0868@0.6612857 1747 1 2159 3918 1 1 1 1 1 1 1 1 1743 1 1 3225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2816 1879 1 1 158696 1 1 1 3110 1 2742 1 1 1 1 1 1 1 1 1 2062 1 1 3955 1 1 1 1 1 1 6014 1 1 1 1 1 1 1 5686 1 73.0868 *73.0873* 73.0873@0.72097623 5627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0873 *73.0881* 73.0881@2.9481516 1 1 3657 1 1 1 1 4532 1 1 1 1 1 1 1 1 3046 1 1 3641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0881 *73.0883* 73.0883@6.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0883 *73.0884* 73.0884@1.204809 1 1 3193 1 1 1 3561 3488 1 1 5172 1 1 1 1 1 1 3172 1 1910 1 1 1 1 5947 4597 1 1 4359 5946 1 4684 1 4155 1 1 5157 5838 1 1 2714 1 1 1 1 1 1 1 1 2723 6759 5904 5356 6323 1 6820 4898 4678 4787 5076 3787 3026 10115 9173 5032 5074 5457 5233 4531 1 5142 5256 6085 4367 2333 1 5635 3990 6239 5662 5171 5776 3900 5470 6429 7267 4094 4954 4212 4683 73.0884 *73.0884* 73.0884@6.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0884 *73.0886* 73.0886@6.233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0886 *73.0886* 73.0886@6.29 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0886 *73.0887* C4 H11 N 4585 8216 6408 6130 5407 1 5676 5527 8386 8731 10449 9365 5838 5379 5829 5102 5211 5787 5423 5877 5601 7065 5117 4905 10352 9652 6470 5804 5704 5516 10877 10573 6618 6377 6546 5808 11909 10672 5512 5660 5714 7346 5039 4836 4928 5761 4639 5841 3964 6074 18760 18804 11776 12614 22107 13099 12891 11653 10922 12501 10955 12351 24690 25617 16448 15364 12172 14393 11743 10882 14317 13611 14204 14493 7076 6818 9475 9662 12064 11142 11308 12125 11966 11129 17240 17358 13595 12959 10250 10525 73.0887 *73.0891* 73.0891@14.2841015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0891 *74.0369* 74.0369@2.9820058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74.0369 *74.0373* 74.0373@2.9663124 4202 3484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6651 1320 1 1 1 1 1 1 1 1 1791 1623 1 1 1 1 1 1 1592 1 1 1 1782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3219 3542 74.0373 *74.0381* 74.0381@0.9475325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2364 2418 1 1 1 1 1 1 1 1 1 1 74.0381 *74.0383* 74.0383@2.2591074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1299 1 1 1 1 1 1 1 1 1 1 74.0383 *74.0397* 74.0397@2.3201115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2182 1 1 1 1 1 1 1 1 1 1 74.0397 *74.0473* 74.0473@1.0774177 2266 2169 1858 1785 1684 1911 2799 2795 1 1108 2843 2375 1 1416 2149 2226 1 1168 1941 2353 2746 2519 2446 2809 1978 1726 3184 2618 2449 1665 4423 4568 4752 5306 1836 1 3380 3246 1255 1277 1328 1845 2086 2350 2564 2803 2491 2598 4836 5548 8282 8485 5533 5939 1123 1362 2163 2155 2113 2724 5613 6547 2748 2913 2848 3303 9949 8926 5894 6315 3367 2658 2096 2189 1743 1381 1 1336 6602 7940 6844 7143 2872 2425 4229 4999 2524 2003 4833 4757 74.0473 *75.031* 75.031@4.727854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1006 1366 1 1 1 1 1 1 1 1 1 1 75.031 *75.032* Glycine 2138 2143 3068 2458 3923 3861 2038 1911 2553 2451 2244 2471 3040 3130 5384 5253 2585 2370 3076 2816 2843 3069 2664 2906 2159 2175 3731 3819 4486 4535 8079 7750 2514 2837 1905 1829 2932 2938 3849 4258 2599 2927 3099 3079 2215 1992 1900 1729 3769 4096 2665 3284 2083 2207 1710 1753 1910 2038 2104 2044 3146 3186 2375 2343 1662 1942 2742 2954 3473 3519 2485 2714 1 1816 2075 1979 2255 2374 2525 2993 2267 2699 2339 2007 2706 2780 5256 4583 2898 2550 HMDB00123 C00037 75.032 *75.0678* 75.0678@1.0703363 1 6959 1 1 53904 52795 1 8290 1 1 4227 1 1 1 1 1 1 1 1 1 1 1027 1 1736 1 1 1 1 1 1 1 1 1 1 1 2182 2516 1 1 1 1 16610 3972 1 1 1 1 1 1 1456 1 1 1 1 1 1120 2285 1136 1 1 1829 1 1992 4081 1 1 2463 1 1 1 1 1 4431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2242 75.0678 *75.0681* 75.0681@1.8698562 1 1 1 1 1 1 1 1 1 1 1 1925 1398 1 1 1467 1 1 1 2320 1 1 1 1944 1 1 1448 1195 1 1 1 1 1 2371 1266 1 1 1 1 1698 1 1 1 1 3598 1 1936 1 1 1 1 1 2140 1 1 1 1 1 1 1 1 1 1 1 1 1 2045 3644 1 1 1 1498 1 1 1065 2356 1 1 1564 1 1415 1 7574 4186 1 1 1 1 6261 2294 75.0681 *75.0681* 75.0681@1.6935669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6170 6235 1 1 1 1 1 1 75.0681 *75.0682* 75.0682@1.0761632 1 1 1 1 2315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5526 1 1 1 1 1 1371 33987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6735 1 5841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 75.0682 *75.0683* 75.0683@1.9372591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1502 1 1 1 1 1514 1 1 1019 1 1 1 1 1 1 1 1 1405 1 1 1 1 1 1 75.0683 *75.0686* 2-Aminopropanol 142756 136793 226270 222919 1562606 1578028 487127 486842 82724 83153 295153 299227 81192 80123 74287 78546 362887 359472 178887 183899 292825 292464 74723 78852 89353 91156 454590 455533 58914 59331 492612 495694 298743 293373 234941 235831 223737 220203 321323 329801 1032452 1015029 354688 383689 171137 175367 356536 350685 430551 448126 126655 130718 181809 178282 113450 116884 398113 390384 79860 81034 361254 371878 325744 322752 375733 376449 527099 530371 162991 165397 95367 94055 239344 242544 329447 332534 145092 143915 173002 167498 235855 231494 74018 69095 458850 461767 491282 503405 215238 213430 75.0686 *76.0636* 76.0636@5.915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 76.0636 *77.0262* 77.0262@1.0024743 1 1 1 1 1450 1449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 77.0262 *78.0133* 78.0133@1.2476857 1 1 1 1 1 1 1 1422 1 2188 1 1 1 3062 1 4860 1 2245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1902 1 1 1 1 1 1 1172 1 1 1 1 1294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2413 1 1 1 1 1 78.0133 *78.0138* dimethyl sulfoxide 1938 1 2637 3231 6148 7175 4933 4076 1 1 2968 2437 8070 5694 4443 1 2696 1 1816 1530 2895 2256 1 1 5520 5987 4192 4115 5319 6191 1634 2231 13814 14273 2095 2062 2499 2241 1757 1396 2188 14706 2932 3436 1 1 3388 3391 1434 1866 6428 7538 5091 5010 6626 7382 2890 4164 4906 4898 3612 4013 1 1 7880 7364 7937 7902 2762 4053 2182 2107 1 1198 1125 1661 2939 2957 4889 4125 3770 2590 2194 1870 1 2357 13277 15462 1 1753 HMDB02151 C11143 78.0138 *78.0332* 78.0332@1.694545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1556 1 1 1 1 1 1 1 1 1 1 1 1 1 78.0332 *78.0461* 78.0461@4.5251594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1355 1435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78.0461 *78.0466* 78.0466@3.2261407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1055 1 1 78.0466 *79.0417* 79.0417@2.215475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2804 2313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.0417 *79.0419* 79.0419@3.0717242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20190 21091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3390 3956 1 1 1717 2117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.0419 *79.0425* 79.0425@2.155004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.0425 *79.9398* 79.9398@1.0274035 1 1909 1 1 1 1607 1 1 1 1 1 1 1 1074 8861 1 1 1 1 1 1 1 1 1 1 1 1 2354 1 1 12171 1 1 1246 1 1 5842 13768 1 1 1 1772 1 1630 1 1943 1 1 1 1 1104 2042 1 1 1 1 2115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1585 1341 1588 1 1 1 1 1 1 1 1 1 1 2290 1 4586 1 1 79.9398 *79.94* 79.94@0.944007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.94 *79.9406* 79.9406@0.90713656 1 1 1 1 1 6811 1 1 1 1 1 1 1 1 135052 1 1 40560 1 39422 1 1 91955 1 1 1 1 76230 1 1 153808 1 1 1 1 1 130980 421552 1 1 1 1 1 1 1 2209 1 1 1 1 181966 1 1 1 1 1 8534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14143 90726 1 1 1 1 1 1 1 1 1 1 1 1 99474 1 1 79.9406 *79.9406* 79.9406@14.577814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.9406 *79.9408* 79.9408@0.843393 579267 581049 584703 588103 562484 559328 547648 563138 574722 498992 567342 563024 581573 585427 432615 579010 579585 537699 550502 532331 584949 581191 503662 586699 573601 569423 593588 436076 587367 588655 417691 569847 593423 581620 591483 590723 456487 157261 577485 587595 577868 584140 577273 583449 579013 587320 582147 589726 611665 623092 399650 593993 605333 597169 566904 573545 127524 582233 595871 603721 564553 571146 578706 566792 571673 576388 595062 593374 574723 577480 587984 584161 572883 559675 495763 585133 582677 586659 577614 586545 586564 579244 598255 600053 574151 582209 580725 477776 582985 578754 79.9408 *80.0168* 80.0168@0.84381795 15348 15749 14839 15411 1 15725 1 13215 15359 13483 15175 14298 16085 15864 14704 13754 15922 16301 13368 15700 13721 15528 15518 15682 15547 14457 16289 12021 15142 15640 1 14808 15448 15421 15960 15690 12815 11917 15188 13446 15120 15089 12173 15734 15023 15979 12460 16150 16264 15863 15216 15027 16508 13557 14653 14992 1 13643 13322 16025 14610 15648 15067 14898 14326 14784 15193 15161 15503 15219 14113 15465 15847 12299 14966 14868 15103 14984 12630 15475 14697 14663 16559 15938 14326 15337 13121 12017 16413 12120 80.0168 *80.0225* 80.0225@0.8863827 1 1 1 1 15568 1 12961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2993 1 1 4368 1 1 1 1 1 2937 3749 1 2439 1 1 2590 1 1 1 2542 1 1 1 1 1 1 3050 1 1 4478 2324 3126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2127 3066 1 4168 80.0225 *80.0247* 80.0247@0.90537083 1 1 1 1 1 1 3369 2848 1 2310 1 1 1 1 1 1322 1 1 2187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1891 1 1 2789 1 1 1 1 2823 1 1 1 1 1 1 1 1 1 1 1 80.0247 *80.0292* 80.0292@0.9266731 1 1 1 1 1 1 1 1 1 1 1 1029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1110 1 1 1 1 1 1 1 1 1 80.0292 *80.0309* 80.0309@0.9280121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80.0309 *80.0375* 80.0375@1.1236483 1 1 1 1 1 1 1073 1086 1 1 1 1 1 1 1 1 1236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80.0375 *80.0463* 80.0463@0.8399161 1 3152 1 3243 2623 1 1 1 2951 1 1 1 1 2997 2922 1 2962 1 1 3168 1 1 3273 3103 2963 2927 2754 1 1 1 1 1 3345 1 1 1 3050 3165 1 3326 1 1 1 1 1 1 1 1 1 1 2873 3014 1 1 1 3167 2830 3129 1 1 3022 2997 1 1 3084 1 2742 1 1 1 2244 2574 2753 1 1 1 1 1 1 3155 1 1 2930 3122 2700 3639 1 1 3223 1 80.0463 *80.0614* 80.0614@5.473218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1512 1962 1 1 1 1 1 1 1 1 2210 2314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80.0614 *80.1006* 80.1006@0.8399824 1 1 1 1078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80.1006 *80.1052* 80.1052@0.8500057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80.1052 *81.0573* 81.0573@3.3664043 7474 9030 1 1 2097 1842 2279 2485 1 1 1879 1650 1 1 1 1 1 1 1 1 1 1218 1 1 1 1 1 1 3865 3455 1 1 1 1 1 1 1553 1 1 1 1 1 1 1 1 1 1518 1212 1 1 1 1 1 1 1 1 1 1 4698 4657 1 1 1 1 1 1 1 1 1245 1 1 1 1 1 3925 12897 1543 1413 1 1 1 1 3351 4367 1 1 1 1 1 2077 81.0573 *81.0577* 81.0577@3.2096279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1573 1243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2955 2594 1 1 1 1 1 1 1 1 2243 2555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9045 1 1 1 1 1 1 1 1 1 1 1 2111 2259 1 1 81.0577 *81.9377* 81.9377@0.8442375 185600 182958 184300 38512 182055 182008 179007 174572 163817 182939 180127 182640 183630 186391 185366 185794 185392 179228 181253 178784 186042 185384 171632 189329 182310 182519 189010 188722 185065 187337 178404 185274 188497 187058 190015 186238 188761 188475 185965 185761 183776 183025 186428 182191 187263 186720 187027 185916 200982 197927 189709 168023 193027 195349 181073 183791 110888 187735 192841 193147 184448 183317 185902 182110 181502 181363 190057 190684 185675 184493 185352 189134 184529 184544 190161 187730 185126 185012 185362 184812 190333 186371 191801 190743 184797 188219 185082 186962 186324 184744 81.9377 *81.9377* 81.9377@0.92889667 1 1 1 2873 1 1 1 1 21931 1 1 1 1 1 1 1 1 1 1 1 1 1 18572 1 1 1 1 1 1 1 8744 1 1 1 1 3445 1 1 1 1 1 1 1 1 1 1 1 2224 1 1 1 21184 1 1 1 1 78262 1 1 1 1 1 1 1 1 1 1 1 1 1 1675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 81.9377 *81.9381* 81.9381@0.9919936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 81.9381 *81.9915* 81.9915@0.77415866 1 1 6437 6042 1 1 5801 1 5771 2925 1 1 5233 1 1 6358 1 1 1 1 1 1 2276 1 1 6061 2339 1 1 5766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 81.9915 *81.9949* 81.9949@0.7736849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2830 1 1 1 1 1 2083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 81.9949 *82.0139* 82.0139@0.8510867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226386 1 1 1 1 1 1 1 1 2386 134860 1 1 1 1 1 1 1 1 1 2028 1 1 1 1 1 1 1 1 1 55145 1 2347 1 1 2394 1 1 1849 1 1 264580 1 2864 1 1 1 1 1 1 1 1 1 1 1 3790 1 1 184638 1 1 200957 1 1 82.0139 *82.014* 82.014@3.5206614 1 1 1 1 1 1 1 1 1 1 1 1 1 5928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.014 *82.0141* Urea + 0.6992776 1 1 22180 41092 1 9221 1 16087 26807 49538 1 1 1 1 2952 1 1 8892 1 1 1 1 1 55804 1 1 6242 54657 1 3740 50943 1 1 55191 1 60036 1 60203 17830 17253 61070 38607 1 1 1 20097 49112 1 62465 14013 1 1 1 1 1 1 15896 1 1 1 2380 56853 28923 42283 52592 11943 27442 1 68434 67371 4614 19065 1 3629 1 1 70717 69640 1 1 1 64566 1 1 19491 57377 1 62555 1 4721 HMDB00294 C00086 82.0141 *82.0141* 82.0141@2.5329568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0141 *82.0141* 82.0141@2.952622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0141 *82.0142* 82.0142@0.6263769 1 1 1 1 25716 1 1 1 1 1 1 19565 15809 1 25075 1 21983 17726 1 1 1 18787 27519 1 1 1 36565 1 17203 42821 1 1 1 1 15111 1 1 1 1 1 1 1 1 1 1 30360 1 1 1 1 34962 1 1 1 1 1 11285 1 36699 1 1 1 37310 1 1 41416 30716 45959 1 1 1 54516 1 37343 1 1 1 1 22132 1 1 1 1 1 1 1 30567 1 1 1 82.0142 *82.0142* C3 H2 N2 O 32775 37112 1 28566 37497 52668 45358 46701 40605 21651 1 55175 39988 34392 1 21959 32957 33008 35047 1 1 46997 33178 1 16397 57883 1 1 1 104045 48024 45132 39895 37421 58705 1 14670 45302 39546 39397 39465 36720 49233 45749 43195 48849 58519 56334 14208 55820 46872 1 1 44064 1 23293 19700 1 39687 35762 1 1 54475 25474 49280 53652 1 137214 17886 1 19325 1 52510 59735 1 53217 51021 60699 20016 26118 21205 53833 54436 32551 40990 31458 29719 57068 23652 1 82.0142 *82.0142* Urea + 1.1698138 17031 27322 9083 1 43616 31219 7580 12505 27313 1 25844 31188 1 22194 22508 5600 15717 16144 16532 1 9318 6232 14390 19170 50660 1 36452 1 1 1 46780 41731 14712 20326 4737 1 52593 20265 28784 24837 1 17504 29294 19832 20828 23358 27832 1 34919 23356 26505 1 8347 1 1 1 21272 1 35436 1 9761 1 1 48964 1 39832 1 9774 42661 1 43071 11615 9799 52812 35604 1 50845 1 52099 39308 1 11497 60313 35346 1 6223 55852 22021 1 9584 HMDB00294 C00086 82.0142 *82.0142* 82.0142@3.412414 1 9788 1 1 1 1 17909 1 16602 19569 1 1 12858 14709 9918 7935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6685 1 1 1 1 1 1 1 1 19093 23015 1 1 1 1 1 20500 1 1 1 1 1 20599 1 1 4322 1 1 13160 1 1 1 1 1 1 22146 1 1 1 1 1 1 1 1 1 1 36407 1 1 1 1 1 1 1 1 1 1 27055 17216 82.0142 *82.0142* 82.0142@4.215176 1 1 1 1 12628 10873 1 1 1 1 1 1 21079 19468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17839 18077 1 1 7543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11224 1 1 1 1 1 1 1 1 11924 1 1 1 1 82.0142 *82.0142* 82.0142@2.8708744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10551 1 1 1 1 82.0142 *82.0142* 82.0142@3.4190686 1 1 1 1 1 1 1 1 1 1 1 1 1 4094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14605 82.0142 *82.0143* 82.0143@0.9878308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1842 1 1 1 1 1 135052 1 11342 11290 1 1 1 1 1 1 1 1 1 11785 3139 3798 150196 1 1 1 1 1 1 1 190160 1 12069 1 1 1 3845 1 1 18941 98155 1 1 8302 1 3698 8542 161847 1 1 1 1 31347 168918 23528 7184 1 1 6692 21233 1 9935 8811 1 10949 1 1 1 7121 1 1 12475 1 1 82.0143 *82.0143* 82.0143@3.283237 1 14133 1 1 17618 1 1 1 1 1 1 1 1 6678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4008 1 1 1 1 1 1 1 1 1 9886 21416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14305 82.0143 *82.0143* 82.0143@1.7349672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0143 *82.0143* 82.0143@1.9249617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0143 *82.0143* 82.0143@2.17193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0143 *82.0144* 82.0144@1.1846163 1 1 1 1 1 1 8866 6647 1 1 1 1 1 9723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5994 1 5830 1 1 1 1 1 1 5776 1 1 1 1 1 1 1 15035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22784 1 1 82.0144 *82.0144* 82.0144@12.551931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2531 1 1 1 1 1 1 1 82.0144 *82.0475* 82.0475@0.84788984 1 1 1128 1 1 1 1 1 1 1 1372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1075 1 1 1 1 1 1 1 1 1 1260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1179 1 1 1 1 1 1 1 1 1 1240 1 1 1173 82.0475 *82.0482* 82.0482@0.8233725 1 1 1 1 1 1 1 1 1 1023 1165 1403 1 1217 1 1 1 1 1 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1332 1 1 1082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1150 1 1 1 1 1 82.0482 *82.0482* 82.0482@1.2365048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0482 *82.0483* 82.0483@6.29 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0483 *82.0484* 82.0484@11.057021 1 1 1 1 1 1 2208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0484 *82.0488* 82.0488@3.2461956 1 1 1094 1457 1 1398 1323 1 1042 1305 1 1 1 1 1 1 1 1 1202 1225 1 1 1 1254 1 1 1 1154 1 1 1 1 1 1 1041 1 1 1 1096 1 1 1 1084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1351 1 1 1023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0488 *82.0494* 82.0494@6.094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0494 *82.0502* 82.0502@6.049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0502 *82.0514* 82.0514@6.006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0514 *82.0734* 82.0734@0.6510085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0734 *82.0757* C6 H10 1705 5088 1 2175 4123 1237 5031 6775 1 1 1 1 1 3198 1 2559 1 1 4589 1692 1882 1 1 4629 8450 8736 1 2847 8312 6539 10596 9712 1 1 1 1 1 5775 1 1 1 1 1 1593 1 3325 3117 1 1 3102 6379 6729 5765 6454 4774 6329 1 3667 3628 1 1 5193 13187 14412 5083 1 6947 7972 1726 5757 41616 42249 5414 1 1 1 1 3164 19415 17452 3877 1 4273 3344 1 3711 4990 3346 1 3198 82.0757 *82.0918* 82.0918@0.9076172 1 1 2067 2677 1 2570 1 2758 2870 2798 1 1 2626 1033 2678 2315 1 1551 1454 2175 2212 2281 2067 1 1 1 5441 1 2794 3239 1 2346 2412 1612 3509 3577 1 2340 1896 2339 2538 3101 2798 1567 3082 2961 2543 1907 2565 2103 3550 1 1322 1 1 1 2199 2844 3112 2268 2133 1 1 1932 1 3352 4759 4520 2348 1281 3247 1825 3200 3454 1845 2062 2664 1756 1992 2682 3608 3710 3298 3453 4049 3905 1 3049 1 1 82.0918 *82.0918* 82.0918@0.91299593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1278 1 1 1 1 1 1 1 1 1 1250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0918 *83.0366* 83.0366@10.449661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83.0366 *83.0368* 83.0368@2.910018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9483 1 1 1 1 83.0368 *83.0369* 83.0369@0.6210826 1 1 1 1 1 1 1 1 1 1 74893 1 1 1 50294 1 82764 1 1 1 1 67005 1 1 79883 1 110566 1 1 1 84245 126553 1 113426 1 1 1 1 1 1 1 1 1 1 130197 1 1 1 1 1 1 1 1 1 1 1 100110 1 1 1 1 1 1 1 1 1 1 108854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201605 1 1 1 83.0369 *83.0369* 83.0369@0.6820803 126241 128609 1 1 1 1 1 1 33986 46732 1 1 155294 1 1 1 71604 1 1 1 146435 1 1 1 74858 1 1 1 1 1 98027 1 1 1 181665 1 39236 1 1 1 1 194176 1 1 1 1 1 266023 1 1 1 1 1 75342 1 1 39327 263021 1 1 219646 1 1 217110 1 1 1 1 1 260232 45474 1 114812 239127 1 1 1 1 270129 269984 1 1 282801 314481 1 1 1 1 1 1 83.0369 *83.0369* C4 H5 N O 11184 9842 16097 13831 18704 14244 15029 11348 9089 14968 13367 15988 12805 10255 14457 17743 12044 13768 15240 18528 11926 13796 17747 15979 12238 51059 26989 18306 14615 21645 11137 17952 15800 20745 16572 23572 29289 21471 20967 22874 25343 11135 29813 18987 20269 18664 19646 24744 24527 27007 28399 22270 18462 19629 52278 26190 21544 22811 24827 23796 19558 28374 30447 23891 27816 31507 25868 23210 26051 25703 29644 29711 113759 32363 31093 28094 34263 26674 1 24148 33803 28146 29099 33144 57127 32598 30948 28620 36300 40618 83.0369 *83.0369* 83.0369@1.5432605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8352 1 1 1 1 1 1 1 1 1 1 1 3789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83.0369 *83.0369* 83.0369@11.809239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83.0369 *83.0369* 83.0369@1.0959868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83.0369 *83.0369* 83.0369@1.4234439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83.0369 *83.0369* 83.0369@2.2829626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83.0369 *83.037* 83.037@1.008713 1 1 1 1 1 1 1 1 1 1 1 12651 1 1 1 14831 1 1 1 1 1 1 1 1 12076 1 1 1 1 1 1 28743 3865 1 1 1 1 1 1 1 1 1 1 25405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83.037 *83.0372* C4 H5 N O + 0.87644875 91295 90944 72226 75010 92587 89574 77549 74662 89524 82965 72705 65496 88102 83104 85023 81039 80653 77093 66832 72548 76936 73798 80469 81854 84025 83770 57143 60714 84631 73727 75121 70287 78098 74428 71876 72052 66632 70295 68858 69407 79612 82526 75840 84377 77118 80951 57550 56012 65359 58842 67882 68618 84900 78905 67642 75272 80565 81770 77734 81750 66730 63388 61445 59927 86721 86094 55451 53951 73623 64859 70645 71525 81473 73493 88411 87054 70038 71887 32691 50022 75314 74084 59802 60585 59347 58910 76299 69460 76135 74683 83.0372 *83.0372* 83.0372@1.171616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24423 1 1 1 1 1 1 5002 3707 1 1 1 1 1 1 1 1 1 1 3979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13895 1 1 1 1 83.0372 *83.0376* 83.0376@1.2494872 15278 21528 23013 21820 20767 1 1 1 1 21319 1 1 1 1 1 21746 1 1 1 1 1 1 1 1 2507 1 1 1 1 1 1 23676 20095 1 29277 1 1 1 1 1 1 1 14610 14086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36075 1 1 1 1 1 29487 1 1 1 1 83.0376 *83.0376* 83.0376@12.154515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1206 1 1 1058 1 1 1292 1 1 1 1 1 1 1 1 1093 1 1 1 1 1106 1 1 1 1501 1 1105 1 1 1 1 1 1 1 1 1 1 1 1 83.0376 *83.0684* 83.0684@0.81300676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83.0684 *83.0692* 83.0692@1.2359843 1 1 8775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83.0692 *83.0697* 83.0697@0.8509179 1 1 1408 1 1828 1 1 1749 1352 1545 1522 1443 1355 1429 1 1415 1 2130 1 1 1 1 1439 1069 1154 1188 1 1440 1 1 1 1190 10251 1112 1 1 1025 1 10101 10073 1 1643 1932 1 1 1 1 1114 1 1 1119 1 1 1 1 1 1 1 1 1033 1 1723 1 1 1 1 1 1 1108 1164 1 1 1 1585 1 1 1 1 1 1 1115 1092 1 6969 1 1 14032 13627 1 1 83.0697 *83.07* 83.07@1.017994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6460 5954 1 1 1 1 1 1 1 12053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83.07 *83.1145* 83.1145@0.64201695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2422 1 1 1 1 1 1 1360 83.1145 *83.1146* 83.1146@0.87138903 1221 1246 1 1 1324 1199 1 1 1 1 1 1 1 1314 1 2140 1033 1 1 1 1 1 1 1 1 1101 1 1 1 1 1 1 1021 1035 1004 1 1 1 1 1 1 1 1 1345 1142 1 1 1 1 1 1 1 1295 1 1 1 1238 1186 1 1 1 1 1 1 1 1263 1 1 1 1 1 1 1 1196 1 1 1 1030 1 1 1 1 1 1 1816 1 1 1163 1277 1251 83.1146 *83.9518* 83.9518@0.6572361 1 1 1 1 1 1 1 1 1 1266 1142 1413 1653 1051 1 1 1 1 1066 1 1042 1 1 1145 1 1274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1485 1 1469 1 1 1 3300 1 1 1 1 1 1 1 1 1 1 1 1 1 2106 1 1 1 1 1 1374 1 1 1042 1466 1 1 1607 1 1 1 1 1 1 1 1 1 1 1 1 83.9518 *83.9518* 83.9518@3.1570146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83.9518 *83.9521* 83.9521@0.62098527 1 1 1 1 1 1 1 1 1 1 1 1 1 1221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83.9521 *83.9521* 83.9521@1.4999702 1 1 1 1 1 1 1 1 1379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83.9521 *83.9522* 83.9522@0.77654827 10704 12498 14714 15898 14714 15860 13125 12843 15209 14825 14565 14701 8565 9356 11803 10829 8480 8698 13719 13096 11577 13146 14338 15290 11626 12628 12356 12412 11459 11032 22422 23418 19387 19155 18628 18901 19844 20582 15729 15632 14247 15085 13325 15537 18001 16942 13175 11580 12718 13036 10592 13097 12805 10979 9983 10628 12289 13376 13744 14030 12972 14132 12717 13370 20429 20552 13007 15281 19277 18878 14211 15639 15800 14995 16545 16081 16632 17331 15696 15512 12749 12299 11517 12191 25810 24142 16232 16782 8535 8708 83.9522 *84.0218* C4 H4 O2 45612 43880 40265 39970 62375 61306 64036 60914 48107 46919 42412 41720 30234 45964 40243 40412 45223 47908 30607 36896 52834 50713 44176 42532 48487 46477 44177 40430 40555 40436 51985 48151 32821 37164 46872 46889 38510 43855 40936 38838 43446 44247 45816 44194 44760 45608 49979 55652 38927 40086 46583 44666 47087 45775 38874 40362 47017 47592 46977 44398 43523 44934 35977 38613 44700 45860 37054 36091 34871 34750 42739 38450 58993 58755 42945 41454 38146 36423 46805 47161 38469 34533 44953 41721 34068 31994 34415 33776 53997 53763 84.0218 *84.022* 84.022@1.1259964 1 1 1 1 1 1 1 6054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.022 *84.0235* 84.0235@2.8365061 1 1 1 2066 1 1 1 1 1821 1 1267 3074 1 1 1 1 1635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0235 *84.0236* 84.0236@2.369474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0236 *84.024* 84.024@1.2444955 5209 5383 1 7284 9805 32944 7698 7800 1 6886 8021 9009 6585 6543 7624 8671 8884 7411 8762 8433 1 5765 1 1 1 1 10854 8342 1 1 8536 7014 9241 9459 1 1 1 8599 6659 1 1 4121 6161 5522 1 1 1 7239 7465 6433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6665 1 1 6936 1 1 1 1 1 1 1 1 1 8301 8861 1 1 1 10937 1 1 84.024 *84.0243* 84.0243@1.5003395 1 1 1 1 3846 2456 1 1057 2004 1708 1 1 1 1 1 2659 1764 1 3940 1 2605 1 2727 1 1 1575 2113 1 1 1 2605 1 3871 2986 1 1 1021 1 1 1 1 1 1 1 1 2994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0243 *84.0246* 84.0246@1.2438955 1 1 6626 1 1 1 1483 1 5866 1 1 1000 5435 1 1 1 1 1 1 1 5300 1 4819 5406 4155 3930 2332 1 12399 3946 1 1201 1 1 3326 4400 6124 1871 1 5485 4925 5314 1 1 5461 8523 6870 1699 1 1 2838 1 7470 6787 1 5844 3464 4126 4844 1929 5255 5691 7855 1161 6933 6259 6715 6335 7227 1 7915 6008 2830 6261 4494 4905 5405 6953 4742 5315 4454 3962 1 1 4336 4199 10693 1 3459 3236 84.0246 *84.0247* 84.0247@2.0969074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0247 *84.0248* 84.0248@1.0749924 2304 1 1609 1 1 2804 5418 1777 4787 6081 2882 5159 1081 4907 1 1203 5323 4901 5378 5142 2042 1 1135 1 1331 1 7143 2832 1 1 1 1259 5334 5308 1 1 1 1 1 2907 2923 1 5328 1500 1 9156 6044 1810 1 1 1 1 1 2837 1 1 4235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3310 1 1 1 1 1 1 1 1 1 1 84.0248 *84.0252* 84.0252@0.77198416 1 1 1 1 1 1828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0252 *84.0252* 84.0252@1.5249771 1 1 1 1 1 1492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0252 *84.0258* 84.0258@3.5143197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1103 1 1 1 1 1 1 1 84.0258 *84.0267* 84.0267@1.0572371 1 1 1 1 1 1 1 1 1 1 1 1 1420 1 1 1565 1 1 1 1 1 1 1 1 1 5618 1 1 1 1 1 1351 1 1 1 1 1 1 5315 1 1 1 1 1 1 2133 1 1 1 1 2339 1 1 1 1 1 1218 1726 1 1097 1 1 1 2788 1 1 1 1 1 1 1412 1 1 1 1 2568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0267 *84.0274* 84.0274@0.7608738 7894 2905 1 3240 6034 2366 5609 1 1 1 1 1 13509 1 1 1 2062 1 15221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0274 *84.0282* 84.0282@1.5275848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0282 *84.0295* 84.0295@0.6629324 3486 6325 1 8436 5630 1 8896 4369 4551 1 1 7998 4599 5943 4223 1 2858 1 1 5790 5634 7666 8545 5808 1 2618 9751 10275 1 1 8406 7943 6698 1 9831 1 1 1 1 1 4201 1 1 2409 1 1 1 1 1 1 1 1 1 1 1 1 2280 1 1 1 1 1 1 1 1 1 1 3392 1 3792 5219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0295 *84.0298* 84.0298@2.2202313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1350 1 1 1 1 1254 1 1 1 1 1 1 1 1 1 1 1 1 1 1804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1840 1 1 1 1 84.0298 *84.0298* 84.0298@1.0996617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1143 1892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0298 *84.0303* 84.0303@1.4410228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1155 1 1 1 1 84.0303 *84.0305* 84.0305@1.844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0305 *84.0312* 84.0312@1.0420145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0312 *84.0314* 84.0314@1.4523153 1 1 1 1 1 1 1 1 1 1 1 1 1 1128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1029 1 1 1 1 84.0314 *84.0328* 84.0328@0.7169164 1 1 1 1 1 1 1 6520 7016 1 1 5900 1 1 2461 1 1 1 1 5985 5082 3518 6701 1 2706 4494 1 3142 7051 1 1 1 1 1 1 1 1831 5826 1 1 1 12804 1 5001 6741 1 5370 9640 6323 1 1 1 1 1 8017 1 5080 1 1 1 3017 1 1 1 1 1 1 5465 3315 7783 7351 1 13216 7706 1 1914 1 11277 1 5540 1 1 8030 1 1 6260 1 1 1 1 84.0328 *84.0334* 84.0334@0.64401037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3677 1 1 6330 1 2487 1 1 1 1 1 1 7150 1 17228 1 1 1 1 1 84.0334 *84.0391* 84.0391@1.1965079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6169 3062 1 1 1 1 1 1 1 1 2563 5387 1 1 1 1 1 1 4560 6624 2597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0391 *84.0605* 84.0605@3.2321026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0605 *84.0648* 84.0648@3.2365706 5887 3435 6600 1 5793 4957 3197 3342 6614 1 3120 3201 5014 3259 7806 5508 3399 6428 5162 5445 3341 4451 2958 3304 6214 5508 5181 3024 3846 5068 6314 5605 7889 5026 6288 5498 5175 2624 3117 5898 5492 3285 5361 4873 5139 5285 6975 5282 5750 5265 4955 2737 3189 1 4353 3985 5225 4185 4951 4159 4946 5215 5629 6828 6269 2816 4907 4344 6104 7081 4554 4424 6580 1 3538 6863 2856 4924 5289 4474 2349 4355 6857 2831 2957 2436 3063 6934 4665 4323 84.0648 *84.0665* 84.0665@3.2483273 1 1 1 3334 1 1 1 1 1 5244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0665 *85.0013* 85.0013@0.7742239 1 1 1 4765 4472 1 1 1 1 1 1 4440 1 1 1 1 1 1 1 1 4456 1 1 1 5020 1 5415 5206 1 1 1 1 4976 1 1 1 1 1 1 1 1 5930 5331 5248 1 1 1 1 5849 1 1 1 1 1 1 1 1 1 5744 1 1 1 1 1 5704 5436 1 1 1 4856 1 1 1 1 1 1 1 1 1 1 1 1 5786 1 1 1 1 1 1 5064 85.0013 *85.0279* 85.0279@0.9184861 1 1 1 1 1 1 1003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0279 *85.0483* 85.0483@0.75801593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2015 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0483 *85.0501* 85.0501@0.6180126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1641 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0501 *85.0516* 85.0516@1.5950174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1064 1 1 1 1 1158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1988 1303 1 1 1 1088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0516 *85.0517* 85.0517@0.70575255 4061 1 1 1 1 1 1 1 1 1250 1 1 2955 1455 1 1 1 1365 1 1 1486 1 1 1 1 1 1 1 2315 1808 1 1 1 1 1360 1954 1 1 1 1 1 1 1 1 1 1 1 1 2500 1 1113 1 1 1 1867 1520 1 1 1196 2054 1 1 1 1192 1 1 1152 2183 1 1 1 1674 1 1 1980 1 1506 2371 1 1 1 1 1551 1 1 1 1 1 1 1 85.0517 *85.052* 85.052@2.0529048 1 1 1 1 1 1 1 1548 1 1 1 1 2440 1 1 1 1 1 1 1981 1 1091 2089 1 1 1 1 1 1 1 1 1810 2474 1 1 1 1 1 1604 1 1 1 1 1 1 1 1645 1 1 1 1 1 1 1 1 1003 1 1 2152 1 1 1 1 1 1 1 1 1 1 1 1 2235 1485 1 1 1 1 1 1 1 1 1 1 1 1 1 1027 1 1592 1 85.052 *85.0521* 85.0521@2.122362 1 1 1 1 1 1 1 1835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1987 1 85.0521 *85.0523* 2-Pyrrolidinone + 1.6404546 1 1711 1 1 3857 3839 5263 4447 1 1 1 1 1 2900 1 1 2997 3496 1 1 3977 3700 1 1 1089 1 1 1 1053 2275 5808 1 1 3246 2362 1 1 1 2278 1865 1971 1 1012 2644 1 1 3191 1 3381 5834 3368 1 3167 1 1 1 2309 2718 1854 1 1 1 1 3095 4494 1 3608 3615 2565 1314 2593 3073 1 1411 1 4518 1 1 1720 1 4727 3816 1 1 1 2431 2767 4417 1 1 HMDB02039 C11118 85.0523 *85.0524* 2-Pyrrolidinone 5131 4889 7993 8090 6271 6789 13565 12017 5522 4777 8896 7248 5078 6316 5126 4481 8134 9502 6084 7630 7724 7882 4848 5482 5622 5531 7316 6898 5460 5076 7988 7849 8807 7269 5266 4355 5082 7190 7177 6624 10057 7353 9689 8416 5404 6120 8360 6978 8296 7823 5923 6604 12647 14012 5116 5090 7082 6968 4512 5167 7241 7267 8200 7311 6998 7338 9328 9395 6298 6002 6950 7390 6041 5385 11246 10151 6086 6476 4173 4482 7872 7518 6328 7135 5871 5690 7445 6708 6701 7445 HMDB02039 C11118 85.0524 *85.0524* 2-Pyrrolidinone + 2.5081131 6394 3851 7226 3912 14524 13902 11844 5289 1 5150 1 3211 4133 10039 11425 11272 1 1 12901 13421 6975 3180 8177 1237 7218 5541 10272 2830 4134 9095 6927 9943 14859 1 5863 3830 5749 9070 1 6262 1 11220 9298 10508 4706 11089 7667 1 18505 19984 11582 5654 17582 13427 10755 11086 3215 10946 7802 6085 1 3780 6142 10938 10919 13047 3582 6861 10957 5221 1995 8559 7433 8086 9411 6558 7388 8387 12592 13120 13381 13714 5963 13868 8734 1 7881 9579 12593 11857 HMDB02039 C11118 85.0524 *85.0524* 85.0524@6.271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0524 *85.0524* 85.0524@2.5549252 1 1 1 1 1 1 1 1 1 1 1 1 2983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0524 *85.0525* 85.0525@6.107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0525 *85.0525* 85.0525@2.5148995 1 1 1 6005 1 1 1 1 1 1 1 8223 2606 1 1 1 1 1 1 1 1 4546 1 1 1 1 1 1 3855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2128 1 1 1 85.0525 *85.0526* 85.0526@3.49643 2495 1241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1859 1 1 1 1 2999 3335 1 1 1 1 1 1 1 1 3860 4422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0526 *85.0527* 2-Pyrrolidinone + 2.9543996 13865 1 1 1 10026 8747 10720 1 1 13787 1 7120 9565 10215 5648 13633 11558 1 19418 14396 8003 1 11530 1 6313 10212 1 1 9813 5616 11822 12423 20072 1 17123 16241 27221 28781 20844 24157 11535 30661 19025 15942 1 1 22196 1 1 11647 1 20162 18197 18687 13125 17984 1085 8978 22946 27433 1 26694 24839 23964 21861 18650 16892 16050 14007 13999 24181 28052 1 1 1 17015 17713 21411 51168 42309 30260 34059 22856 16055 30760 34615 15575 1 21673 31440 HMDB02039 C11118 85.0527 *85.0527* 85.0527@2.6158397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3693 1 1 1 2492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4285 1 1 1 1 1 1 1 1 1 1 1 2984 2923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0527 *85.0528* 2-Pyrrolidinone + 2.8932798 16526 31454 14790 30430 1 1 41394 51923 14583 19245 13712 16654 1 1 21588 1020 24399 18072 23876 14845 16445 15533 26645 27935 16622 12173 14779 27027 15963 8754 18983 19244 16053 23653 21786 20970 33933 31849 31960 26264 27514 29108 16894 17368 9992 28472 21266 23773 18075 8783 17059 11374 27128 27022 14222 10147 6885 10702 31943 32108 34006 30484 28712 29126 12319 14848 18862 21041 15591 14744 28550 24135 16128 19117 28444 14034 19063 16096 33515 40911 19668 14823 10193 15467 24873 20500 7350 25082 28490 22173 HMDB02039 C11118 85.0528 *85.0528* 85.0528@1.2376432 1 1 1 1 3858 3584 1 1 1 1 1 1434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0528 *85.0532* 85.0532@2.7379398 1 1 2097 1 1 1 1 1 19438 1 1 1245 1201 1198 1 27305 1 1 9614 1 1 1 1 1282 1 1021 1 1 1 12727 2442 1 3147 1 2150 1 1 1 1 1 23256 1 1 1 17329 1 1 20076 14303 11033 1 1467 1 1493 1 1 5541 1 1 1 1 1 1 1 1 1 2135 1 1 1 1 1 14008 13377 1 1220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0532 *85.0537* 85.0537@0.6243319 1 1 1 1 1 1 1 1 1 1 1 1 1276 1 1 1 1 1 1 1 1 1 1 1 2814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1588 1 1 1 1 1 1 1 1 1 1 1 1 85.0537 *85.0647* 85.0647@0.9705025 1 1 1 1 1 1 4935 1 1915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4393 1 5349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3672 1 1 1 1 1 1 4428 1 1 1 1 1 1 1 1 1 1 1 4167 1 1 1 1 1 3291 3676 1 85.0647 *85.0656* 85.0656@0.96916825 5677 5321 4919 6216 3517 3239 1 5114 2495 5005 6949 6034 4477 4466 4301 4542 3840 4512 5792 5755 5083 4750 4783 4240 1 3921 1 1 4808 3529 5636 1 1 1 1 4669 6373 5721 4732 4458 5376 1 4452 4715 4710 4546 4708 5177 1 4169 4993 3988 3900 4612 1 4077 3235 1 4897 4026 4492 4759 1 4724 4409 4206 6091 5252 4184 1 4362 4418 2844 4001 3372 2459 3766 4451 5757 2553 4240 1 4069 3070 3948 4070 3340 1 1 2960 85.0656 *85.0852* 85.0852@3.0056458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1702 1 1 1 1 1 1 1 1 1 1 1 1 3512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0852 *85.0853* 85.0853@2.9600737 1 1 1 1 1901 5552 3808 1 3814 1 1 2854 1 3626 1 1 1 1 1 1 1346 1 3413 1 1 1 1 2529 3302 3123 1 1 1 1 2706 1 1 1 1 1 2022 1 1 1 1 3983 1 1 1838 1 1 1 1 1707 1 1 2240 1 1 1468 1 1 1 1072 1 1 1 1 1 1752 1 1300 1 1 1409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0853 *85.0878* 85.0878@1.5430062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0878 *85.088* 85.088@0.6811129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1797 1 1 1 1 1 1 1 1 1 1 1 1 24759 1 2036 1767 1 3191 1 1743 1371 1 1 1 1 1 1440 1 1 1 1 1 1 1 7746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.088 *85.0881* 85.0881@3.0740733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0881 *85.0882* 85.0882@1.1680084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0882 *85.0883* 85.0883@5.9479647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0883 *85.0884* 85.0884@6.087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0884 *85.0884* 85.0884@0.85949767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2502 1 1 1560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0884 *85.0884* C5 H11 N + 1.6261015 11720 8282 13155 15279 10768 8260 1 1 11143 10916 12805 11712 8617 14260 12411 1 8119 8977 11392 8167 7522 10444 5607 11101 8554 3331 9916 10556 10141 7462 1 1 2315 1 1 1 1 1 2912 4084 1 1 1 1 1 1 1 1 1 3388 1 1 1 1 1 1 1 1 1 3355 1363 1 2974 1 3015 4249 1 2712 2328 4260 3554 1 3729 3370 4300 1 1 1 1 1 1 1 1 1 1 1 4043 1 1 2222 85.0884 *85.0886* C5 H11 N 24923 23329 25065 21132 15560 15074 16977 18387 18273 19118 18147 17369 21505 20402 15401 16729 16511 16586 15741 15838 15651 18187 14860 14466 14350 15210 17139 17869 17918 18456 4428 3585 6079 4533 3743 6288 3974 5972 5537 6044 5251 3890 6185 6583 5016 4647 4320 1 5881 4190 4039 3780 7309 6203 4815 5393 6673 7960 9152 7981 6334 6830 9059 8233 6905 8314 5856 6185 7102 7048 6925 6659 6308 6785 8207 9624 5434 6053 5936 5481 5854 6769 5347 6003 7269 8177 6770 6302 8933 8054 85.0886 *85.0886* 85.0886@2.0466754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31036 1 6536 1 1 2881 1 1 1 1 20982 1 1 1 1 1 5730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26105 1 7149 1 1 1 7239 1 1 1 32905 1 1 1 37303 8295 1 22592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0886 *85.0886* 85.0886@1.5279071 1 7023 2309 1 1 3064 4909 5049 1 1 1 1 1895 1 1 1 1 1 1 1 1839 1 3323 1 1 7279 1532 1 1300 3163 1 1 2147 1 1 1 2814 1 1 1 1 1 1 1 1 1 1173 1 1 1 1 1 1 1 1 1 1 1 1 1 1424 1 1851 1 1748 1364 1 1 2256 1 1 1152 1 1 1 1 1 1 1 1 1 1 1 1 2719 1 1 1 1 1 85.0886 *85.0887* C5 H11 N + 2.0001042 12979 11792 16189 1 10912 17407 1 1 12715 1 30195 25866 1 13621 1 19359 19507 20667 1 13813 24456 26124 8818 1 23198 1 1 16414 1 12092 23328 23258 1 17796 5822 9598 9465 13296 1 1 12231 11417 29474 27387 1 1 1 24108 16557 13342 1 1 1 1 1 1 7062 17026 11555 15650 12885 1 1 15073 1 22911 10487 9894 1 14621 8715 1 26668 27353 13780 1 1 1 19784 1 11156 12328 1 1 9705 1 29372 26912 8851 1 85.0887 *85.0887* 85.0887@2.0915425 1 1 1 14742 1 1 1 1 1 1 1 1 1 1 6073 1 1 1 1 1 1 1 9413 3165 1 13999 1 1 1 1 1 1 1 1 1 16184 1 16020 1 1 4854 1 1 1 1 13101 1 1 1 13163 13084 10894 1 1 1 16036 3121 1 13278 1 1 1 1 1 1 1 11805 10711 1 1 1 1 1 1 15994 1 1 1 1 1 1 1 1 1 11471 1 1 1 1 1 85.0887 *85.0887* C5 H11 N + 4.9741516 3686 2961 3577 3340 1 1 2874 1 19588 19274 3406 3014 1 1568 2608 4186 3804 3809 3975 3671 16134 15628 9058 9083 3561 3979 5130 4686 6757 8123 167883 214702 11659 8614 16264 15609 7203 7100 2470 3445 1 2623 5163 4744 9244 7898 4601 3960 1 1 2232 2269 4748 3523 3258 2032 9332 10015 14231 14310 7891 9088 2218 1 1 1 3081 3994 5968 5517 1 1 7518 6586 1 1 62015 60528 11086 11446 82596 85022 146108 146059 13869 13991 47553 48967 3760 3061 85.0887 *85.0888* 85.0888@2.1073875 1 7206 1 1 14871 17163 11075 1 1 4776 1 20222 1 1 1 9243 1 10114 1 1 11925 1 1 1 7593 1 1 1 1 6874 16112 17489 1 12626 5389 1 1 1 1 1 1 3802 23261 25572 1 1 1 11118 12101 1 1 1 14631 13287 1 1 6433 11424 1 10395 15443 17237 10186 12263 1 12778 1 1 1 1 7345 1 22731 1 1 1 1 12014 16074 1 1 9929 1 1 1 11905 20516 1 1 7769 85.0888 *85.0888* C5 H11 N + 2.3053703 35898 37773 36088 54775 54853 1 1 58361 1 35933 61448 55963 1 1 47972 1 31306 43970 40361 34044 43966 1 26465 42093 43775 1 60440 1 1 1 1 57833 1 1 30532 25366 1 1 1 27285 38484 37051 1 1 1 1 64728 52749 39070 1 49526 1 43367 1 1 1 11299 21544 30685 29001 41109 43945 51015 40093 1 49021 1 29682 54163 1 29945 24566 53451 80795 48297 1 37931 49442 33883 1 35423 1 45337 1 28189 1 78787 1 1 22610 85.0888 *85.0888* 85.0888@6.797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0888 *85.0888* 85.0888@0.7650037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11783 1 1 1796 2613 1 1 1362 1 1 1 1 1 1 1666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0888 *85.0889* C5 H11 N + 2.2366695 19785 23492 40963 36372 33611 1 1 36931 1 32880 48432 47709 1 36155 33380 39151 42597 27893 28660 35786 35123 46865 35716 20790 35961 42743 35730 1 1 1 1 30927 1 1 30038 40096 1 40337 1 18369 23626 24609 1 1 1 1 38607 48074 28815 23754 22641 1 37971 1 1 22945 22611 31056 25656 26782 35857 31863 19677 28329 1 26722 1 22478 36786 1 27568 31166 70882 36244 30963 1 40263 31825 43014 31934 14177 1 22932 1 27814 26827 47092 1 25718 24553 85.0889 *85.0889* 85.0889@2.27382 1 1 1 1 1 84957 98530 1 69049 1 1 1 65872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 92483 46869 42150 86885 1 57419 69335 1 1 66144 1 43265 1 1 1 101637 100037 67650 78647 1 1 1 14039 1 73887 1 83573 71652 51069 20365 1 1 1 1 1 1 1 81124 1 51037 1 1 93426 1 1 1 1 1 71325 1 1 1 1 1 53593 1 68642 1 1 1 125532 1 1 85.0889 *85.0889* 85.0889@2.3335574 1 1 6895 1 1 1 1 1 1 1 1 1 1 29458 1 41683 1 1 1 1 1 33437 1 1 1 36823 1 1 1 1 1 1 1 1 1 1 1 31859 1 1 1 1 3515 1 1 1 1 1 1 27579 1 1 1 1 1 1 14639 15560 1 1 1 1 1 1 1 1 1 1 1 1 1 1816 1 1 1 1 1 1 1 18619 1 1 1 1 1 7995 1 1 7715 1 85.0889 *85.0889* 85.0889@5.186578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0889 *85.0889* 85.0889@1.1154106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3594 1 1 1 1960 2315 1 1 1 1 1 1 1 1 1035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0889 *85.089* 85.089@5.0755234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.089 *85.0897* 85.0897@4.930256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2698218 2507621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0897 *85.9863* 85.9863@0.7770816 8805 9110 8413 9009 8203 9291 8339 9217 8995 8968 8822 8992 8795 8506 9145 9092 8883 8539 8397 7703 8012 8061 9147 12198 7863 7707 7862 7888 7932 11327 7514 6552 6840 7309 8191 6849 8947 6982 7524 6659 7582 7835 7305 7649 7961 7500 7615 6668 8235 9010 8025 6487 6447 8359 7579 7731 7921 6006 8083 7914 8082 7282 7449 7639 7475 8014 7872 6801 8393 8192 8252 8102 7849 7559 8300 8560 8798 9114 7471 6602 6257 6322 6276 6516 6781 6575 6309 5934 5452 6963 85.9863 *86.0211* 86.0211@3.1925426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1369 1226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.0211 *86.0364* 86.0364@3.0003293 1 1 1 1 18317 6006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.0364 *86.0366* 86.0366@5.514435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7384 7670 1 1 1 1 1 1 1 1 1 1 86.0366 *86.0366* 86.0366@4.177132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.0366 *86.0368* 86.0368@4.274591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2075 1060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.0368 *86.0369* 86.0369@2.2626774 1 1 1 1 1 1 1 1 1 1 1 1 1 1570 6885 6861 1 1 1 1 1 1 1 1 1 1 1 1002 1 1 4118 3634 2582 2568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1623 1 1 1166 1 1 1 1 1 1 1 1 1 4647 1840 1 1 1 1 1 1 1 1 1 1 2470 4012 1 1 86.0369 *86.037* 86.037@1.2374114 1 1 1 1 2136 1 1 1 1 1209 1 1 1416 1 1 1 1 1 1429 1 1 1 1 1 1 1 1 1 1 1 1 1 1884 1375 1 1 1 1 1 1 1 1 1 1 1 1 1 1316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.037 *86.0373* 86.0373@3.3681881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1045 1 1 1 1 1 1 1 1 1 1 86.0373 *86.0374* Diacetyl 10975 13049 9079 9623 15194 11462 17090 14996 5004 1 4721 11822 3561 9162 10924 11019 5353 7822 4836 7709 7491 9815 8124 12025 10062 7877 6610 10978 7669 5580 4975 7668 8693 5218 5993 5512 4837 6894 10757 7674 11296 5197 7944 1 1 1 9445 8918 5179 9852 4507 8099 5000 6505 8039 7848 8589 5029 5139 5191 6504 13152 8631 9216 5134 5565 6672 8942 4060 9489 5008 4523 10701 13263 11524 7043 4958 11468 8231 8303 8916 5990 5260 7962 5289 5128 6937 4215 9545 11345 HMDB03407 C00741 86.0374 *86.0377* 86.0377@2.254014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.0377 *86.0377* 86.0377@1.8115516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1429 1 1 1 1 1 1 1 1 1 1007 1087 86.0377 *86.0379* 86.0379@2.9880538 1 1 1 1 1 1 1 1 1 1 1 1 1 1241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3943 4028 1 1 1 1 1 1 1 1 1414 1729 1 1 1 1 1 1 2381 1 2845 1377 1 1 1 1 1 1 1 1 1 1 1296 1 1 1 1 1 1 1 1 1 1 1 86.0379 *86.0398* 86.0398@1.003015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1131 1 1 86.0398 *86.0399* 86.0399@0.94691783 1 1 1 1 1 1 1 1 1 1 3818 1 1 1 1 1 4582 4018 4348 1 1 1 1 1 1 1 1 1 1 1 5994 4538 1 1 1 1104 4077 1 1 1 1 4683 4412 1 1 1 1 4862 1 1 1 1 1 1 1 1 1 1 5845 1 3787 1 1 1 4327 1 1 1 3546 1 5043 1 1 1 1 1 1 1 3435 1 1 1083 3241 1 1 1 1 3097 4058 1 86.0399 *86.0403* 86.0403@0.9512463 1 1 1 1094 1 3038 1 1 5896 3989 1 1 1 1 1 1 1 1 1 2041 3502 1 3786 1 1751 4630 3740 1 1 3454 1 1 1 1752 2911 4031 1 2726 1 3475 1 1 1 1 5178 3652 1 1 4021 1 4847 3144 1 4349 1 3866 3115 3625 1 5655 1 1 1 1 1 4220 1 1 1 1 1 1 1 1 1 4607 3056 1 1 1 1 2226 1 1 3862 3269 1612 1 1 1 86.0403 *86.0405* 86.0405@1.2472632 1 1 1 1 1 1 1 2608 1 1 1 1 1 1 1 1 1494 1 1 1 1312 1115 1026 1 1 1 1 1 1 1 1 1601 1 1 1 1 1 1326 1944 1693 1 2547 1998 2061 1607 1357 1 1 1 1610 1 1 1 1 1 1 1 1 1 1 1 10727 1 1 1 1247 1 1221 1495 1 1 1731 1 1 2315 1973 1 1 1 1 1 1490 1 2920 1 1 1 1 1 1 86.0405 *86.0414* 86.0414@2.532937 1 1 1 1 1 1 1 1 1 1 1211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.0414 *86.0448* 86.0448@1.2484313 1 1 1 1044 1 1 2384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1775 1918 1702 1902 1 1 1872 1 1 1 1 1 1 1 1 1 2305 1 1 1 1 1 1 1 1366 1 1 1 1 1611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3320 3355 1 1 1 1 1 1 1 1 1 1 86.0448 *86.0471* 86.0471@2.9710052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.0471 *86.0524* 86.0524@2.922021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1111 1 1 1 1 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.0524 *86.0854* 86.0854@1.0915306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2040 1 1 1 1 3188 1 1 1 1 1 1 1 1 86.0854 *86.0916* 86.0916@2.2933862 1 1 1 1 1 1057 1 1 1 1 1 1 1869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3641 1 1 1 1 1 1 1 1 1385 1 1 1 1 1 1 1 1249 1 1 1 1 1 1 1 1 1964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2239 1 1 1 3594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.0916 *86.0918* 86.0918@5.0315027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.0918 *86.0918* 86.0918@5.282625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.0918 *86.0918* 86.0918@5.730293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.0918 *86.092* 86.092@2.2694592 4527 1027 1087 1 1 1037 1 1 1 4357 1 6900 2423 1 1 1 1 4861 4939 1 1067 2573 1 1 3341 1 2464 2430 1 1218 1 1 1 1 1 1321 2514 1 1 1 1 2620 1 1 3148 1 1 6441 1 2068 1 1 1 1699 1 1 1 1 1 1 1 1 1 4693 1 5454 1052 1 5696 4347 1 1 1 4240 1 2879 5709 5921 1 3474 2816 1 1072 1 1 1256 1 1509 1 1 86.092 *86.0926* 86.0926@5.2095895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.0926 *86.9947* 86.9947@0.77635306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13349 1 13747 1 1 1 1 1 9440 1 1 86.9947 *87.0146* 87.0146@3.313592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1398 1467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.0146 *87.0315* 87.0315@1.1037832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1235 1 1 1 1191 1576 1 1 1 1115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1472 1106 1 1 1 1 1 1 1 1 1 1 1086 1235 1 1 1 1 1 1060 1 1061 1 1 1 1 1100 1 1 1 1396 1454 87.0315 *87.0321* 87.0321@1.241765 1 1 1 1 1286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1486 1202 1 1 1 1 1101 1 1 1 1094 1 1 1 3837 3758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12522 12822 1 1 1 1 1960 1569 1 1 1 1335 87.0321 *87.033* 87.033@3.2740817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1242 1494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.033 *87.0681* 87.0681@1.0640286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2373 1 1 1 87.0681 *87.0682* 87.0682@0.71515715 1 6553 5070 2400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5357 6542 1 1 1 1 1 1 1 1 1 1 5229 1 1 3471 1 1 2175 1 1 1 4587 1 1 1 1 1 2692 1 4238 1 1 1 1 17020 1 1 4069 1 1 1 1 9430 1 1 5467 1 1 1 5313 1 1 1 1 1 1 1 2601 1 5894 1 1 3188 1 1 1 1 1 1 4821 87.0682 *87.0683* 4-Aminobutyraldehyde 21798 23201 2206 1788 1 11168 10960 12675 10844 14462 33632 31475 13548 13110 14356 14649 21200 22297 3113 3410 8902 6344 11065 12178 17534 20867 11410 16774 26172 23715 1 1 11611 10530 18125 18835 22368 22582 3618 3511 10156 7382 24393 26205 1666 13807 20046 16422 19492 20599 23602 19096 40231 33538 20625 35635 20984 33839 17089 19111 14927 15395 1 49208 30592 29807 12099 12057 15995 19797 1 16255 27324 25568 16983 16118 16324 22830 10196 11055 22236 19084 21011 18371 30268 24173 22998 24535 14072 1937 HMDB01080 C00555 87.0683 *87.0683* 87.0683@1.0486397 1 1 1741 16545 1 4285 1 1 1 1 1 1 1 1 2406 1 1 1 11126 10632 1 2518 1 1 1 6209 1 1 1 1 1 1 1 1 1 1 1 2911 12251 10396 1 1 2225 1 16052 1 1 1 3598 1 3882 1 3264 1 1 2378 2101 1 1 2397 1 1 1 10020 1 1 1 1 4058 2380 1 1 1 1 1 3260 1 1 11327 15910 2212 1 1 3016 5093 1 2782 1 1 12695 87.0683 *87.0683* 87.0683@0.62386256 1 6433 1 3802 1 1 1 1 1 1 1 6784 1 1 3876 1 1 1 1 1 5027 1 1 1 1 1 1 1 1 1 1 4395 1 1 1 1 1 1 1 2342 1 7285 1 1 1 4164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4798 1 3730 1 1 1 7443 1 1 1 1 1 1 1 3223 5083 1 1 1 1 1 1 1 1 1 1 87.0683 *87.0685* 87.0685@0.9870082 1 1 21020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2138 1 1 1 87.0685 *87.0688* 87.0688@1.190225 1 1 1732 1767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2241 1 1 2233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3134 1 2875 1868 1 1 1 1 1 1 1 1 1 1 1 2853 1 1 1385 1 1 1 1 1 1 1 1 2134 1 1 4465 1 1 2999 1 2168 3697 87.0688 *87.0691* 87.0691@1.2284746 1 1 1691 2071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.0691 *87.0692* 87.0692@14.476629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3052 1 1 1 1 1 1 1 1 87.0692 *87.07* 87.07@0.68998724 1 1 1 6359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.07 *87.0731* 87.0731@1.2000024 1 1 1 1 1 3193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4510 6649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4315 4089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.0731 *87.0759* 87.0759@1.1847675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5806 6464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6847 5669 5855 5912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14303 20982 1 1 1 1 1 1 1 1 1 1 87.0759 *87.0983* 87.0983@14.247278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.0983 *87.0995* 87.0995@6.069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.0995 *87.1004* 87.1004@6.211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.1004 *87.1004* 87.1004@2.9520261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.1004 *87.1006* 87.1006@6.027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.1006 *87.1012* 87.1012@14.194529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.1012 *87.9826* 87.9826@0.7782754 1107 1 1137 1001 1 1 1039 1095 1 1 1 1 5243 5393 1029 6729 5888 1 1009 1 1081 1 1 1156 1036 1 1 1 1 6561 1065 1 1 1 1 1 1074 1122 1 1 1 1 1 1109 1 1 1 1 8290 1 1 1 1 1107 1 1 1 1 1 1 1 1 1 1 1 1 1170 1 1 1 1 1 1072 1 1071 1 1 1 1 1 1 1 1 1018 1004 1 1 1170 5052 5147 87.9826 *88.0523* Acetoin + 3.357173 9330 15718 15387 9844 25033 19223 15832 12255 21214 30072 11094 14388 19042 35892 20858 10836 17349 18245 31431 17961 1 26338 8524 34565 14777 14034 28447 18825 10062 1 24033 13308 50747 13035 16258 27433 20855 42876 19597 14883 20417 35146 27689 17394 48645 12671 13709 13621 1 10632 20393 26077 51634 14301 1 16286 9264 10846 15236 14240 5575 6273 1 17172 17560 10280 1 11474 14206 8424 51771 11549 9933 34046 3373 51560 48763 44706 1 12997 13649 13654 9159 13261 18304 8738 51304 6945 1 10986 HMDB03243 C00810 88.0523 *88.0523* Acetoin + 3.4380774 16575 61013 63841 74055 31656 56378 19071 10193 28754 46873 68877 29654 33929 44343 34845 53298 36381 35653 47977 53120 52663 50317 61290 1 38077 38931 51152 61325 39967 78210 54343 52318 1 38500 50868 35884 30672 27216 52530 62758 1 42893 23386 56350 1 38861 22005 7291 34300 7688 1 16867 1 21745 46783 34316 15577 43694 18550 20467 17807 16808 33130 34959 35068 30878 50875 35490 19484 25942 1 37732 40345 1 18271 1 1 1 64014 54262 37784 23474 43000 6727 16635 25437 1 18252 1 19750 HMDB03243 C00810 88.0523 *88.0523* 88.0523@3.494033 29304 6559 1 1 1 1 1 45572 1 6838 1 1 1 1 1 1867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9419 1 1911 1 1 1 1 1 1689 1 1 2175 11494 1 27810 1 1 1 1 1 1 1064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9066 1 1 1 1 1 1 1 1 30937 1 1 1 1 1 1 88.0523 *88.0523* Acetoin + 3.7338545 55994 56774 58630 55371 57301 54496 55946 54576 54750 59191 52925 52711 55217 55963 57691 54899 59922 62747 56440 56818 57971 56229 58186 56284 59371 56486 54742 57618 57635 56090 54931 55860 25381 23150 56126 56287 54536 54418 50029 54954 51641 53250 59555 57366 49350 35530 38878 40942 32759 34057 33525 37871 37036 38677 35606 37395 31188 38945 34051 37996 36488 35795 39293 35192 33079 34996 34962 33275 33692 36643 38129 35741 34608 36436 32283 39250 34771 32627 44666 46401 36290 32412 33799 34285 36099 33822 36663 36326 35476 36075 HMDB03243 C00810 88.0523 *88.0523* Acetoin + 4.037091 19854 17232 17327 16210 16855 2737 2651 18498 18430 18044 17035 2357 18076 3782 2476 4546 9109 3429 4327 1713 15322 16560 18559 15897 18916 18768 16322 15903 17352 2807 17622 17318 3458 5805 17850 1539 15413 20301 18734 16650 17755 15994 3144 16941 2155 14510 14949 11378 10876 13407 11369 12331 14493 13358 12182 10463 12308 13226 12194 13560 12776 6436 13182 13638 15544 14333 10517 14889 16223 13279 11850 11206 11369 13218 10719 14302 13110 12059 17653 16821 10677 11682 9732 14960 11063 11433 12819 12416 12635 11240 HMDB03243 C00810 88.0523 *88.0524* Acetoin 22107 1 1 19721 20837 14042 18770 1 16210 1 21007 17054 19706 17544 20586 20169 12105 19354 15072 13802 21348 21726 19726 1 25689 21687 21884 1 23502 17555 1 1 1 1 35080 1 1 20004 16996 1 16501 22195 19528 20047 17228 17699 17509 1 12579 16565 26385 18295 25539 14602 27189 21937 10063 1 11469 15665 11549 17023 1 17198 25713 1 14899 24202 13406 1 1 16256 16595 1 1 12772 11845 1 38122 43395 1 17225 12929 1 10429 1 15044 1 12908 13327 HMDB03243 C00810 88.0524 *88.0524* Acetoin + 3.1608412 1 36008 36845 13786 15628 1 8238 32779 14839 13752 14960 19533 18527 19104 14826 16728 1 13190 1 16024 15483 15776 16390 1 10095 12859 14871 1 1 18560 1 1 1 1 1 2762 1 13939 13430 10853 11955 1 9269 15236 10553 10343 10864 6310 1 1 1 7934 1 1 1 1 7932 1 9086 8976 1 8879 1 8463 1 1 12325 1 5643 1 1 7037 7539 1 1 1 10710 1 8233 1 1 9742 10077 1 11191 11579 9636 1 5846 1 HMDB03243 C00810 88.0524 *88.0524* Acetoin + 3.9354725 1 1 1 1 1 19836 16706 1 1 1 1 18084 1 19154 17453 18923 22153 20769 20082 19098 1 1 3645 1 5350 3267 1 1 1 17182 3047 4513 6113 1 3264 18243 3234 2763 1 1 1 1 17472 1 16280 1 1 1 1283 1 3621 4420 4079 4188 3278 3511 3443 3533 4562 2756 1 3466 2688 3675 2827 3023 1 3487 3475 3134 4016 4029 2542 3895 2842 2570 3603 3999 4251 3912 2732 3226 3271 3254 1 4381 5424 3910 4271 5020 HMDB03243 C00810 88.0524 *88.0526* 88.0526@3.0244212 1 1 1 3976 1 7675 1 1 1 7099 1 1 1 1 1 1 7455 4859 7164 5153 1 1 1 8495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4939 5917 8125 1 1 1 3692 1 1 1 1 1 1 1 1 1 1 1 2274 5866 4079 1 3444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3556 1 1 1 1 1 1 1 1 1 1 1 1 5404 1 88.0526 *88.0526* 88.0526@3.9530327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88.0526 *88.0527* 88.0527@2.986655 1 1 1 1 1 1 1 1 3116 1 1 2335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6296 1 1 1 1 7165 1 1 1 1 1 1 1214 1 1 1 1 1 1 1 1 1 1 2754 1 3156 1607 1 1 1 1 1274 1 1 1 1 1 1 5109 1 1 3151 3455 1 1 1501 3291 1 6050 5894 1 1 1488 1 2885 1 1739 1 1797 1 88.0527 *88.0527* 88.0527@4.248892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3904 1 1 1 1 1 1 1 3776 1 1 1 1 5331 3414 1 1 3791 1 1 3566 1 1 1 1 1 1 1 1 1 1 3451 1 1 1911 1 2613 2511 1 1 1 2487 1 1806 2599 2154 1 1544 1 1 1 1 1605 1 1 1 1 1 1 1 2384 1 1 1 1 1 1 1 1 2524 1 1 1 88.0527 *88.0528* Acetoin + 9.702633 5370 5041 5503 5092 4516 5698 5527 4817 4767 4371 5861 5135 5816 6324 7023 8105 4506 3707 5476 6629 7589 10751 6812 8942 7227 8661 5146 1 9701 6713 7600 6755 4752 5097 7613 7242 6370 5047 5332 5000 4780 5593 5573 5053 5444 5627 4627 1 4203 4737 5610 6868 6620 6472 5731 6042 4762 7729 4923 5775 3666 4437 4231 4386 4242 4414 4090 4804 4519 4205 5172 3615 4333 3558 4750 4796 4784 4547 4463 4560 1 3978 4227 3184 4739 5419 4194 5239 4422 4613 HMDB03243 C00810 88.0528 *88.0529* 88.0529@0.6996591 1546 1 1 2220 3348 1 1 1 1 1 1 1 1 1 1 1 1 1284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1533 1 1 1311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88.0529 *88.0531* 88.0531@5.9291515 4272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1835 1 1 1 1 1 1 1 1 8562 9244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1375 1 1 1 1 1 1 1 1996 2896 1 1 1 1 1 1 2245 1 1 1735 2887 3217 3956 1 1 1 1 1 1 1 1 1 1 1 1792 2487 1 1 1 2311 1 1 2315 1 1 1 1516 1 88.0531 *88.059* 88.059@0.66800874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88.059 *89.0471* 89.0471@2.1668317 1 1 1 1 1 1 1 1 2847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1480 1 1 1 1 1 1 1 1 1 1 1 1 1 3875 1 1 1 1 1 1 2536 1 1 1 1 1 1 1 1 1 2432 1 1 89.0471 *89.0473* 89.0473@1.1585412 1 1 1 1 1 1438 1661 1646 1514 1447 1 1 1 1 1 1 1 1757 1 1 1 1 1252 1 1 1 1401 2030 1 1 1 1 1370 1573 1 1 1 1 1 1655 1 1 1207 1187 1 1 1436 1 1 1 1325 1 1807 1 1521 1 1 1 1 1 1 1 1 1 21939 21585 2102 1 1 1312 1942 1747 1 1686 1 1 1 1668 2746 3549 1 1233 1606 1 1 1 1 1175 1 1503 89.0473 *89.0474* 89.0474@1.7094758 1 1 1 1 1 1 4952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2481 1 1 1 1 1 1848 1 1 1 1 1 1 1 1 1 1 1434 1 1 1861 1 1 1310 1 1 1 1 1 1 1 1173 1358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1246 1 1 1 1 1 1 1 2759 1 1 1 1 3499 2272 2382 1 1 1 1 89.0474 *89.0475* URETHANE + 1.6414638 1 1 1 1 1 1 1361 1 1 1 1 1593 1246 1 1 1 1 1 1333 1 1 1 1416 1 1 1 1 1 1611 1165 1720 1 2582 1651 1 1 2513 2835 1647 3533 4878 4259 3476 1 1 2747 1 1170 1141 1 1656 2212 2228 2672 1474 1384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1757 2102 1 1 1 1 1022 1 3800 1 7719 4852 1 1011 2682 1469 1 1 1973 1 89.0475 *89.0476* URETHANE + 2.1131146 8323 10933 1 8827 11640 10625 14646 1 1 12575 1 10706 1 1 14373 10789 16025 1 1 1 14112 13780 1 12738 7009 1 13780 11705 1 11500 1 15381 14871 11209 10425 13189 43476 1 1 1 34436 1 1 1 10389 1 14462 6298 15803 1 1 1 18352 16687 1 1 1917 10111 1 1 1 1 12390 1 4447 13136 8922 1 15059 11738 1 1 13063 15370 1 11492 1 1 13775 13086 1 1 1 1 13894 5889 11668 1 1 1 89.0476 *89.0477* URETHANE + 1.9081365 8332 6560 3460 11524 11840 8212 1 10008 7785 8307 12364 9205 1 1 9501 1398 7870 1 1 2570 9524 1 13211 14037 6048 5689 3888 1 3152 3187 1 2951 1373 2027 14650 2072 5022 4388 1681 3764 3063 15977 1 1932 8943 11422 2334 1412 1 11721 2200 12050 3538 3580 1656 3002 5842 5791 1812 1 9408 1 9529 1 10377 9784 1 1 1621 2081 2276 3529 11207 1 1 5419 10099 3302 1762 1 14736 14681 1041 11004 2330 1741 6853 5395 14464 1 89.0477 *89.0477* 89.0477@2.0393202 1 1 7838 1 1 1 1 1 9904 1 1 1 1 27423 1 3317 1 1 1 1 1 1 1 6109 1 1 3013 1 8316 12606 1 13403 1 12148 1 1 1 1 1 1 1 1 1 1 4422 4971 12518 10624 1 4750 10036 1 12896 1 1 11856 1757 1 1 1 8278 1 3729 1 1 1 4989 23926 10819 13244 16427 1 1 1 20448 3794 1 13210 1 1 1 1 11135 1 1 10593 1 1 1 1 89.0477 *89.0478* beta-Alanine 1973 2195 2164 2190 3612 3568 2840 2967 2165 1 3287 3047 2586 3238 1519 2087 3458 3377 2683 2916 3830 4342 2075 1917 2584 2963 2629 2361 1691 1 2992 2528 2419 2339 2394 2863 2210 2714 2397 2101 2012 1908 3106 3285 2754 2427 2587 1976 2333 2529 1 2296 2778 2473 1 3054 2201 2701 1 1783 3189 2570 2289 1 2681 2842 1982 1839 3893 3028 2027 2405 1 4194 2243 2397 2144 2412 2167 2167 1908 2043 2552 1983 1603 1498 3608 4250 2362 3126 C00099 89.0478 *89.0478* 89.0478@1.6129421 1 1 1 1 1 1 1764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.0478 *89.048* 89.048@2.1315353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11120 1 1 1 1 1 9106 1 16574 1 1 8387 1 1 1 6702 1 1 1 11613 1 7064 1 6252 1 1 1 12208 7289 1 1 1 1 9820 2120 1 1 1 8323 1 1 1 8348 1 1 1 1 1 12659 1 1 1 1 1 1 1 1 1 14903 13536 1 1 1 11953 1 1 1 1 89.048 *89.048* 89.048@1.0364138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8929 1 1 1949 1 1 8414 1 1 1 1 1394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4763 89.048 *89.0482* URETHANE 32815 33850 33240 31450 30753 30146 30380 29121 49019 47119 27814 28120 31467 32632 36442 36503 32128 32318 27340 26381 32547 33699 33693 36701 35058 36168 33096 32422 28296 29154 33492 31855 28236 28209 31687 34539 23015 21102 32750 32503 25606 26975 32609 25619 33317 36253 25516 24758 30624 23958 36664 35197 32426 33852 29581 28966 35826 36114 31616 33119 23906 22544 26918 25606 33392 32403 19099 19456 27079 27452 21807 23885 31047 31344 32982 36024 29786 29793 31563 31134 30470 28984 32699 32305 25454 26668 26493 25481 27373 24428 89.0482 *89.0795* 89.0795@0.9663592 8083 8933 16127 16074 8473 7337 6391 4728 1 4695 1 1 7520 1 7985 5803 5807 5893 5994 5360 4879 4691 6182 6050 5716 4346 3830 5195 6384 6801 6427 6729 7331 8022 5481 4870 6633 5743 3331 3344 5537 6576 1 5277 5281 8140 5054 4801 1 4053 4481 6280 1 4968 6280 6189 5714 6897 6392 5331 6028 7550 15626 13712 9258 8803 7352 7740 4747 6510 8032 6891 8668 3986 5706 5031 5371 7133 8570 9815 4368 6068 5109 1 9860 9178 6930 8154 4670 5968 89.0795 *89.0797* 89.0797@2.1030717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3672 1 1 1 1 1 1 1 1 1 1 1 2173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2096 1762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.0797 *89.0807* 89.0807@2.0796375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.0807 *89.0809* 89.0809@1.200033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.0809 *89.0814* 89.0814@3.096125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3197 3667 1 1 1 1 1 1 1 1 1 1 89.0814 *89.0833* 2-Amino-2-methyl-1-propanol 6436 7631 6682 6877 9245 5924 7700 7414 5586 1 8919 8345 7013 7394 7556 6274 6807 6825 7709 7706 6302 6599 7186 5525 5908 6795 8675 1 5789 7244 4782 1 1 1 4729 1 2797 3691 4426 4083 4531 1 6050 1 7328 5066 1 3754 1 5041 3490 1 5520 1 1 1 1507 1 1 5421 4240 2810 1 4229 3863 4307 4853 5090 1 5196 1 1 1 1 3365 4592 3084 4066 1 1 5356 1 1 5502 1 4551 1 4785 5417 4951 89.0833 *89.0833* 89.0833@1.0604548 1 1 1 1 1 1 1 1 1 1 34781 29854 1 1 1 1 1 1 1 1 3761 1 1 1 1 1 6966 5039 1 1 1 1 1 1 1 1 1 1 3462 4139 1 1 4141 1 1 1 2574 1 1 1 3779 1 3649 1 1 1 1 1 1 1 1 1 1 1 1541 2308 1 1 1 1 1 1494 1 1 1 1 1 1 5092 4143 1 1 1 1 1816 1 1126 1 1 1 89.0833 *89.0834* 2-Amino-2-methyl-1-propanol + 3.3926477 9703 11766 12173 11585 9190 8090 8385 10634 10064 12285 10423 11011 10259 10514 9056 9982 8787 7566 9153 8705 8326 10049 8219 9632 8971 9883 12336 9147 7837 10505 5482 5174 6819 1 6399 5865 1 5971 6009 7180 4851 5098 7544 5469 8564 6541 5964 4248 1 6890 5412 4592 4015 5749 6275 4746 5104 5110 4101 5235 5870 5292 7286 5571 5136 6364 5462 5239 6088 6415 4043 5121 5293 1 5142 4780 1 4155 5075 5696 6976 1 4484 6302 4789 6583 1 6723 1 4907 89.0834 *89.0834* 89.0834@6.007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.0834 *89.0836* 89.0836@13.874697 2099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.0836 *89.0837* 89.0837@0.7202539 1 1 1 1 1 1 1 1 1 1 4070 1 1 1 1 1 1 1 1 2183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.0837 *89.0838* 89.0838@6.067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.0838 *89.0838* 89.0838@1.205073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2774 1 2549 2496 1 1 1 3429 2564 2593 1 1 3925 4463 1 1 1 2628 1 1 2012 1 1 1 1 1 1 1 2629 2421 1982 2046 1 1 2546 1 1999 1 2490 1 89.0838 *89.0838* 89.0838@14.878986 1843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.0838 *89.0839* 89.0839@14.599686 2914 1 1 1 1 1 1 1 2191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.0839 *89.0839* 89.0839@2.7987342 1626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.0839 *89.084* 89.084@5.922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.084 *89.9687* 89.9687@14.864652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.9687 *89.9689* 89.9689@1.0309191 1 1 1 2598 1 1 2220 1 1648 1 1 1378 1 32064 1 1 1 1 7676 1 1 1872 1 1 1 1 1 1 1 2014 1 1 1 1 1139 1 1 1 1768 1 1 1 1 2673 4666 1 7287 1 1 1 1832 1 1332 1 1 1 2415 2166 1 1 1 1 1 2776 4809 1 1 1 1 1 1 1 1 1 1735 1217 1 1 1 1 1 1 1136 1 2289 1 1 1 2501 1 89.9689 *89.969* 89.969@3.4044771 1 1 1 1 1 1 1544 1802 1100 1475 1 1 1 1 1055 1706 1 1 1026 1523 1 1 1 1 1 1 1 1 1 1 2245 1278 1 1 1 1 1055 1 1 1087 2332 2707 1 1 1 1 2154 1724 1 1 1 1 2175 2467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1026 1 1 1 1 1 1 1 1404 1176 1 1 1 1 1 1 1 1 1 1 1 1 89.969 *89.9692* 89.9692@9.142139 1 1 1 1 1 1 1315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.9692 *89.9693* 89.9693@14.142273 6028 5993 4694 5791 5226 5474 5833 6632 4538 4214 5844 4784 4809 5943 7209 5956 5797 5322 5657 4622 6442 5393 6967 4981 6255 5103 5136 4592 5709 4459 5434 5695 5508 7351 5610 5502 5846 5222 5632 5698 6069 5294 5972 5994 5849 5819 5339 4292 4237 5232 5428 5459 4564 4873 4230 5069 3413 5176 5658 4372 5296 5291 4955 4821 1346 5146 5443 4475 4775 3711 4621 5041 5200 6197 4231 3866 5333 5461 4672 4040 5002 5724 4867 4876 1159 5028 4470 5041 4053 6702 89.9693 *89.9694* 89.9694@0.9339849 1 1 1 1 1 1 1 1 1 1 1 1 1 2512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.9694 *89.9696* 89.9696@0.8184708 290438 298934 289472 290818 280848 282784 300309 296967 293118 298176 305748 299346 300613 265700 300854 302289 302920 298518 294193 306045 290681 298210 291585 291008 295581 290890 295952 292222 297944 298304 293001 286679 297620 298201 289544 294662 290918 301787 294542 295412 290247 298201 306423 295394 295113 303141 305498 305593 304680 305970 298498 298125 299909 292321 301853 299161 296118 297447 293431 293461 300285 298158 312112 298383 119346 289217 305047 302388 298412 294291 293597 294716 286519 298728 283965 292938 296763 297816 297062 295332 293295 290606 295902 295293 293248 298473 294997 297235 298177 294670 89.9696 *89.9696* 89.9696@14.409068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4739 1 1 1 1072 1 1 1128 1 1 1 1 1 1 1 1 1 1 1 1 4739 1026 1 1921 1 1108 89.9696 *90.0304* C3 H6 O3 1 1 5739 6183 1 1 6823 1 6046 4448 6087 1 3647 1 1 6548 6441 1 6434 1 1 1 1 5710 1 1 6460 1 6286 1 1 5870 1 4725 1 5995 6682 6196 1 6764 5110 5329 1 1 1 1 7798 1 4141 6003 6553 6779 1 1 7077 5310 3315 5684 6535 6719 1 6066 5369 5867 5866 1 4652 1 1 5887 6480 6591 1 1 1 1 6038 5596 4471 1 1 1 5089 6924 1 5476 4444 4925 6958 1 90.0304 *90.0308* 90.0308@0.90696543 6542 1 1 1 1 2409 1 8545 1 1 1 6348 3689 6892 1 1 1 5549 1 6545 1 7387 6870 1 1 1 1 1 1 1 6123 2211 5847 1 1 1 1 1 1 1 1 1 5418 1 6553 1 1 1 1 1 1 1 6608 6977 1 1 2732 1 1 1 1 1 1 1 1 4965 1 1 4958 1 1 1 7155 1 1 1 1 1 1 6209 1 5909 1 1 1 1 1 1 1 2902 90.0308 *90.0315* 90.0315@1.248242 8268 8683 1 1 1 1 6654 3362 5575 8187 11254 12794 13768 8179 1 1 1 1 6327 6095 1 1 1 1 1 1 8958 4817 1 1 1 1 9008 8132 1 1 1 1 5618 5309 4776 4613 2341 2526 11073 5889 8241 2566 9151 8295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0315 *90.0363* 90.0363@0.9393418 1 1 1 1 1 1 1890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1811 1 1 1 1 1 1 1 1 1 1 2025 1 2281 1954 1 1 1 1986 1 2490 2414 1 1 1 1 1 1 1 1 1 1 1 1518 1 1 1 1 1 1 1585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1862 1 1 1 1849 1 1 1 90.0363 *90.0371* 90.0371@0.94288594 1 1913 1 1 1 1 1 4501 1 1 1 1 1 1 1012 1 1 1604 1 1 2672 1 1 1 1 1 1 1 1 1741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1582 1 1477 1 1 1 1 1 1 1 1 1 90.0371 *90.0467* 90.0467@5.1287084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18560 18475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0467 *90.0468* C7 H6 1437 2074 1441 1644 1773 1472 1671 1467 1606 1664 1628 1522 1727 1486 1750 1437 1479 1760 1 1317 1342 1601 1336 1285 1645 1526 1 1814 1179 1371 1449 1754 1285 1479 1354 1319 1678 1277 1354 1612 1632 1261 1279 1357 1627 1562 1361 1 1471 1446 1 1 1294 1813 1346 1 1609 1383 1265 1 1 1475 1 1292 1275 1154 1 1142 1 1722 1459 1197 1443 1599 1631 1393 1227 1213 1360 1 1468 1413 1027 1 1233 1 1179 1496 1396 1009 90.0468 *90.0469* 90.0469@4.6287565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124150 125831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1668 1426 1 1 1 1 1 1 1 1 1 1 90.0469 *90.0473* 90.0473@8.084414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1821 2068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1589 1358 1 1 90.0473 *90.0505* 90.0505@0.8500063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0505 *90.0506* C4 H10 S 4158 4985 4685 5009 4695 4707 4599 5239 5193 5382 4990 4851 5237 5258 5169 5347 5448 4688 4164 4990 4907 4271 4934 4002 4453 4914 4719 4656 5156 4826 4921 4330 4973 3134 4683 4805 4267 4551 4976 4472 4749 4723 4961 4605 4890 3575 5106 1 4399 4865 4688 4713 4626 4772 5191 5128 4999 4930 4092 5006 4505 4894 3060 4932 4824 4828 2761 4882 4533 4655 4757 4717 4833 4761 4483 1 4707 4088 4400 4793 5071 4441 3358 4207 4413 4566 4673 4870 4670 4924 90.0506 *90.0784* 90.0784@0.81397676 1 1 1 1 1 1 1 1 1 1 1 1 1 1492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0784 *90.0827* 90.0827@0.8165108 1662 1462 1453 1 1242 1 1698 1376 1 1 1479 1480 1381 1 1490 1531 1514 1 1600 1470 1336 1624 1266 1580 1621 1542 1457 1362 1439 1 1271 1 1412 1526 1473 1339 1 1519 1 1507 1543 1312 1311 1353 1288 1503 1667 1 1396 1 1502 1285 1507 1380 1246 1216 1417 1500 1381 1495 1 1635 1481 1378 1565 1163 1357 1281 1 1535 1495 1043 1 1676 1533 1542 1358 1 1510 1571 1415 1216 1596 1493 1220 1579 1139 1301 1548 1 90.0827 *90.0846* 90.0846@0.8149995 1 1 1 1354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0846 *90.9731* 90.9731@0.83925086 1 1 1 1 1 1 1 1 1 1 1 1068 1 1 1 1 1 1 1 1 3080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1102 1 1 1 1 1 1 1 1 1 1 1 2874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.9731 *91.0418* 91.0418@3.5977066 1 1 1 1 1 1201 1 1 1 1 1 1 1 1 1 1 1560 1882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3830 3903 91.0418 *92.0299* 92.0299@3.5862708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1231 1 1 1 1 1 1 1 1 1 1 1 1 92.0299 *92.0345* 92.0345@3.596734 1 1 1 1 1229 1151 1 1 1 1 1 1 1 1 1 1 2030 2608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1081 1 1 1 1 1 1 1 1 1 1083 1 1 1 1 1 1 1 1 1 1 1 4690 5270 92.0345 *92.0616* 92.0616@5.3527718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1254 1014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 92.0616 *92.0619* 92.0619@4.272003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2006 2396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 92.0619 *93.0323* 93.0323@6.115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0323 *93.0324* 93.0324@0.63032526 1 1 1 1 1 1 1 6926 9484 1 1 1 4876 1 1 1 1 1 1 1 1 7126 1 1 1 1 11475 1 1 1 5218 1 4889 1 5157 1 4294 1 1 4450 5463 1 1 5883 4390 1 1 6211 1 4375 1 4063 1 1 1 1 10075 1 1 1 3566 1 1 5150 1 1 4772 1 1 1 1 4512 1 4323 6961 1 1 1 4772 1 1 1 1 1 1 1 1 4498 1 1 93.0324 *93.0324* 93.0324@0.69075704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4644 1 1 1 1 1 4582 1 1 1 1 1 1 1 1 1 4201 1 1 6050 7026 1 27564 1 1 1 5171 1 1 1 1 9636 1 1 1 3999 4818 1 1 1 10516 1 1 1 1 1 9499 1 1 1 1 10049 1 1 1 1 1 1 8146 1 1 1 1 1 4797 1 7297 1 1 1 93.0324 *93.0324* 93.0324@0.7613556 7042 9223 1 1 1 1 10023 1 1 1 1 1 12974 1 1 17090 1 9073 1 10006 12293 1 1 1 1 1 12277 1 10324 8975 18092 1 11188 5078 1 1 11578 10829 9544 13327 10999 11546 1 1 10645 1 1 11230 1 1 1 1 1 12240 1 11148 3963 1 1 1 1 13629 1 1 2600 1 12143 11329 1 1 1 11273 1 1 4974 1 1 1 1 12443 1 1 1 1 7302 1 9666 1 1 1 93.0324 *93.0324* 93.0324@1.1588489 1 1 1 1 1 2881 1 1 1 1 1 1 1 1 1 1 1 4248 1 1 1 1 2777 5197 1 1 1 5673 1 3566 1 1 1 1 1 1 1 1 1 1 1 1 2119 1 1 1 1 1 1 1 3396 1 1 1 1908 1 1416 1 1 1 1 1 1 1 1 1 3894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2621 1 2111 93.0324 *93.0324* 93.0324@1.3947989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5927 1 1 1 1 1 6386 5295 1 1 1 1 1 2841 1 1 1 1 1 1 1721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0324 *93.0324* 93.0324@6.054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0324 *93.0325* 93.0325@1.111822 1 7069 1 1 1 2533 1 1 1 1 1 1 3616 3941 13250 1 1 1 1 1 1 1 2398 6027 1 1 4852 1 6876 1 6556 1 1 1 1 1 9084 1 1 1 1 1 1 3664 1 1 1 3633 1 1 1 1 1 3109 2594 1 1899 1 1 1 1 2349 1 3895 1 1 1994 1 1 1 1 3392 1 1 1 1 1 1 1 1 1 4737 3946 1 1 1 1 1 1 1 93.0325 *93.0327* 93.0327@1.2078353 1 1 1 1 1 3182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4608 1 2099 1 1 1 1 1 1 1 1 1 3278 3177 2556 1 1 1 1 1 1 1 1 1 1 1 1 1 2527 1 1 1 2864 1 3412 1 3380 1 1 5385 1 1 1 1 1 1 1 2916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0327 *93.0327* 93.0327@2.104021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0327 *93.033* 93.033@1.0541435 1 1 1 1 1 1 1 1 1 1 1 1 2333 1 1 1 1 1 1 1 1 1 2276 1 1 1 1 1 1 5582 1 1 1 1 6097 1 1 1 1 1 1 1 1 9291 1 1 1 2450 3023 1 1 1 1 1 1 4791 2599 1 1 1 1 1 1 1 1 1 1 1 1 6534 1 1 1 5897 5526 1 1 5636 1 1 1 1 5068 1 1 1 1 3388 1 1 93.033 *93.0522* 93.0522@0.9855189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0522 *93.0558* 93.0558@0.98590565 1 1 1 1 6597 6797 1 1 1 2563 13265 13452 6273 7267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9897 9620 1 1 1 1 1 1 3174 5189 1 1 1 1 1 1 10061 8542 5216 1 1 1 1 1 7608 7113 5077 4168 1 1 1 1 1 1 6984 6949 1 1 93.0558 *94.0057* 94.0057@1.1273631 1 1 1 1 1 1 6820 6163 3014 3111 2861 3231 2073 1823 1 1 5724 5627 4985 5174 1 1 1 1 1 1 2902 2831 1 1 1 1 4772 4600 1 1 1 1 2442 2748 2951 2936 5594 5214 4939 5155 1782 1806 1 1524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0057 *94.0087* 94.0087@1.1259985 1 1261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0087 *94.0134* 94.0134@1.2400143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2378 2539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0134 *94.0419* 94.0419@3.4742181 1 1 1918 1961 1912 1 1 1 1 1 1 1 2163 2536 3471 3952 1 1 1 1 1 1 1567 1614 1 1 1805 1507 1 1 1 1 1534 1293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2772 2824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0419 *94.0496* 94.0496@3.497723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2239 1714 1 1 1 1 1 1 1 1 1 1 1 1 94.0496 *94.0503* 94.0503@6.2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0503 *94.0512* 94.0512@6.109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0512 *94.0519* 94.0519@1.0440797 1 1 1 1 1 1 1 1718 1 1 1 1 1 1 1 1 1 1 1785 2154 1 1 1 1 1 1 1 1082 1 1 1 1675 1 1 1 1 1600 1867 2104 1574 1 1 1 1 1 1 1 1003 2837 2092 1 1 1259 1 1 1 1 1 1980 2652 2153 1 2152 1 1 1 1516 1953 1617 1 1823 1830 1 1 1 1 1298 1345 2831 3332 1891 1918 1 1 1 1 1199 1265 2499 2005 94.0519 *94.0528* 94.0528@0.8743512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1009 1 1 1 1 1 1418 1184 1 1 1 1 1 1 1 1 1 1 1 1 94.0528 *94.0764* 94.0764@8.258268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0764 *94.0771* 94.0771@5.2819467 1 1 1 1 1 1 1 1 1 1 1 1 1532 1235 1 1 1 1 1 1 1 1 1154 1046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1088 1017 1 1 1 1 1 1 1 1 1061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0771 *94.0776* 94.0776@4.272503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2405 2780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0776 *95.0365* 95.0365@1.8040068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.0365 *95.0366* 95.0366@1.6405222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.0366 *95.0367* 95.0367@1.3218871 1 1 1 1 3801 1 1 2205 1 1 1 17804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3493 1 1 1 1 1 1 1378 1 2101 3247 1 1 1 1 1 1655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.0367 *95.0367* 95.0367@1.3479564 1 1 1 1 6673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.0367 *95.0368* 4-Hydroxypyridine 1509 3400 1867 1 2113 1490 4760 3721 1 3844 2257 3068 7512 1 1 1 1 1 1 1 1 1 1 3767 1 1 1 1 9245 6309 1 1 1 1 8083 1 1009 1100 1 1 1 2190 2073 2773 1 4251 3588 1 1 1 1 1 4779 4039 1254 1 1435 2679 6319 4516 1 2552 1 1 1 1 1622 1542 3080 2363 1602 1 1 1 1 1169 1 1 10178 2255 1 1 1 1 1 1 5459 1 1 1 95.0368 *95.0368* 95.0368@1.5850999 1 1 1 1 1 1 1 1 1 5428 1 1 1 1 1 1 1 1 1 1 1 1 1 1195 1 1 1 1 1569 1 1 1 1 1 1653 2888 1 1720 1 1 10459 17586 1 1 1106 1 1 1 1 1 1 1 1 1 1609 1842 1252 9007 2739 1 2928 1 1 1 1 1707 1433 1429 1 1 5383 8002 1 1 1 1 1 10258 1 1 1 3793 1 1 1816 2611 6760 1 1 1402 95.0368 *95.0368* 4-Hydroxypyridine + 1.6993763 4047 3861 1 1 18609 15098 11448 7782 9219 4642 21978 23276 8311 6273 1 1 1 1 9427 10679 1 1 1 1 1 1 1 1 8802 14461 1 1 4724 1 13407 1 1 2938 1 1 7819 1 1 1 1 8093 1 5087 11154 8423 1 1 31719 28002 5583 2857 2991 1 12721 7990 3128 3440 1 1 12844 9961 1 1 37149 32595 8101 7787 20422 18235 3496 1 32557 18937 44565 47431 1 7925 1 11472 1 1463 18352 19357 1 1630 95.0368 *95.037* 95.037@0.6760063 1 1 1 1 1 1 1 1914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1788 1959 1 1458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.037 *95.0382* 95.0382@0.72100985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.0382 *95.0575* 95.0575@1.0880395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1 1 1 1 1 1 1 1 1 1 95.0575 *95.061* 95.061@0.8710049 1 1 1 1 1 1 1 1 1 1 1 1584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.061 *95.0653* 95.0653@0.8906737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2799 1 1 1 1 1 1 3805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.0653 *95.0699* 95.0699@0.9068419 2874 2967 3829 4111 3619 3348 5155 4514 3373 2852 5033 3695 2435 2496 3083 3229 2802 3247 1 3215 5049 3612 1541 1502 4174 5097 4141 1 2939 2142 2545 3282 2145 2004 2397 3218 2725 2717 3669 3209 3740 4396 1941 1 2378 2286 3221 3719 1727 2775 1 1651 3198 3425 2122 1 3321 3569 2793 3000 4120 3776 1 3044 1 2764 1 1 1755 1 3976 4052 4578 4889 4342 3067 2989 3128 7897 6324 1916 2314 3291 3538 2981 2986 2780 3459 3354 2636 95.0699 *95.9806* 95.9806@0.77683705 16708 15383 15775 15325 14878 13942 15800 14349 15291 14975 14795 14768 14695 14871 15269 14949 15748 15021 15744 14317 15791 15442 15441 16990 15062 13828 14932 15133 14646 14657 15794 14351 14458 15432 16324 16055 16405 16246 14944 14884 14195 14114 15362 15527 15323 15444 14987 15124 15194 15476 14740 14743 15166 15817 14078 14450 15327 14597 15760 16232 14994 14396 15357 13887 13659 13989 14717 15359 14312 14874 14351 14849 15115 14320 14915 14945 14800 14913 14355 14733 13776 14575 14914 16242 15410 15456 14014 13959 13866 25431 95.9806 *96.0204* 96.0204@0.95667315 1 1 1 1 1 1 1 2478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 96.0204 *96.0212* C5 H4 O2 6950 7124 6482 2112 9894 9284 9996 7876 6486 7790 6934 6554 7479 6980 6303 6078 7095 7203 6512 6010 7988 7498 7197 6703 7447 7143 7468 6928 6108 6440 8185 7756 5777 5643 6397 6979 6589 6612 6500 6363 6663 7766 6832 7062 7089 7128 8066 9336 6074 6323 6675 6563 6446 7606 6953 6196 4618 2801 7034 7493 7184 7320 6106 5446 6865 6321 5654 6235 5995 5358 6413 6393 8727 8474 6628 6395 5945 5963 1 7721 6289 1 6929 6698 5187 5636 5217 5501 8422 8934 96.0212 *96.0327* 96.0327@1.1475418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1684 3002 1 1 1 1 1 1 1 1 1 1 96.0327 *96.0343* 96.0343@1.1820437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1285 1 1 1 1 1 1 1 1 1 1 1 96.0343 *96.0395* 96.0395@1.3980547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1145 1 1 1 1 1 1 1 1 1 1 96.0395 *96.0405* 96.0405@1.52505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2755 1 1 1 1 1 1 1 1370 1 4240 1 1 1 1 1 1 1 1 1 1 96.0405 *96.0594* 96.0594@4.2750044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1485 1579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 96.0594 *96.0637* 96.0637@6.079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 96.0637 *96.0646* 96.0646@0.87600607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 96.0646 *96.0663* 96.0663@6.002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 96.0663 *96.0664* 1,3-Propanediamine 3027 3028 2732 3303 2826 2662 2801 2740 2641 2871 2945 2365 3071 2977 2783 2669 2572 2918 3295 2429 2693 1877 2718 2814 2396 2903 2969 2311 3017 2467 2965 2797 3498 3005 2971 2619 3054 2863 2551 2800 2662 2737 2791 2950 2289 2506 3088 3058 2294 3115 2664 2817 2439 2776 2747 2767 2639 3030 3018 2679 2205 2198 2965 2556 2664 2899 2308 2467 3027 2698 2393 2693 2552 2477 2391 2694 2862 2745 3052 2863 2060 2648 2615 2701 2560 2592 2718 2336 2570 2638 C00986 96.0664 *96.0667* 96.0667@3.0264955 1 1 1 1 1 1 1 1387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 96.0667 *96.0916* 96.0916@5.1844234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2054 1328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 96.0916 *97.0501* 97.0501@0.94716436 1 1 1 1 13579 1 1 1 1 1 1 1 1 1 1 1 1 1 3329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4091 4499 1 1 1 1 1 1 1 1 1 1 1 2812 1 1 3150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97.0501 *97.0519* 97.0519@1.246346 1 1 1 1 1 1 1 1 1 1 1 1 1393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2453 3395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97.0519 *97.0524* 97.0524@3.6161654 2362 2676 1396 1774 1699 1409 1138 1 1 1 2495 1 1141 2049 2600 2087 1531 1350 2907 2377 4713 4707 1764 1385 1416 1795 4163 4226 1419 1 3153 3326 2860 3187 1822 1750 2528 1957 2201 2178 3823 3838 2175 2476 2007 2266 1692 2372 2808 2771 3393 2657 1965 1149 2454 2699 2283 2797 1 1 2471 3023 1889 2164 2391 1 4844 4606 2077 2059 2722 2752 1496 1631 2072 1816 1 1758 3080 2527 2609 3071 2987 3447 2519 1834 2528 2597 1748 2861 97.0524 *97.0526* 97.0526@2.422797 1748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97.0526 *97.0527* 97.0527@3.0462768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1986 1061 1755 1 1 1 1 1718 1 1 1 1 1 1 1 9387 9122 1 1 1 2519 1 1 2008 1024 1 1 1 1612 1 1 1 1 1888 1321 1893 2671 2101 1494 2245 2844 1 1 1 1 1 1 1 1 1 1 1592 1 1 1 2105 1897 1 1 1 1 5312 7136 1 1 1 1 3144 3662 2464 1393 1 1 97.0527 *97.0528* 97.0528@3.1411424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1563 1 1 1 1 1 1 1 1 1 1 1 97.0528 *97.0528* 97.0528@4.384378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97.0528 *97.0528* 97.0528@2.328999 1659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4309 3303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97.0528 *97.0877* 97.0877@1.0180019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97.0877 *97.0884* 97.0884@1.2401532 1890 1078 1418 1393 3244 3018 3235 3523 1 1 4282 4542 1 1 3655 3821 3013 3248 1274 1747 5515 6037 1 1 1 1 1252 1559 1719 1625 3177 3315 1082 1 1030 1480 2916 2818 3524 2997 1289 1376 1 1 2576 2700 3513 3756 6246 6791 1448 1 1 1 1 1 1123 1201 1 1 6093 6485 1413 1418 1 1 2161 1557 1188 1723 1 1 1 1 3690 3315 1284 1009 1 1542 3858 3708 1 1 1358 1540 1384 1383 1 1 97.0884 *97.0885* 97.0885@4.11679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7570 7168 1 1 1 1 1 1 1 1 1 1 97.0885 *97.9674* 97.9674@0.6523176 1064 1 1855 1 1 2338 1 1772 2988 1 1 1 1140 1 1 1 1 1 2105 1222 1884 1169 1 1 1 1 1 1 1 1 1 1 1 1 1626 1027 1 2314 1 1 1512 1 1 1 1 1 1 1 1 1 1636 1 1153 1 1 1 1 1540 1 1 1 1 1 1151 1 1 1 1 1 1 1 2208 1 1 1 1 1155 1 1 1 1 1 1 1 1 1346 1 1365 1 1 97.9674 *97.9676* 97.9676@1.3635056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97.9676 *97.9681* 97.9681@1.1429908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97.9681 *97.9683* 97.9683@1.1989903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97.9683 *97.9689* 97.9689@0.7764756 15214 15641 20088 18485 18691 17575 16341 16765 18914 17886 17738 15715 12451 11406 14837 14931 12095 11687 17212 16756 15732 15472 17704 18165 15118 15165 15551 14609 14758 13440 27576 27493 22555 21698 21418 22652 24754 23540 20944 19105 18014 18481 18878 18961 21191 20301 15248 14230 17617 16262 16740 15980 14546 16166 13461 13349 16073 15738 17066 17628 17279 16750 15576 15995 22284 25912 19230 19716 24158 23931 19029 18815 17999 17767 21100 20586 21654 21258 18623 19332 15821 15778 15150 15681 28582 30029 20216 21570 11063 1 97.9689 *97.9747* 97.9747@9.2088175 1753 1 1 2092 1 1 1591 2091 2329 2260 1 1756 2279 1554 1651 1985 1473 1832 1885 1819 1850 1867 2291 1565 1504 1608 2224 2278 1191 1297 1 1802 2016 1777 1 1 1773 1 1835 2234 1 1510 2405 1873 1081 1753 1385 1 1 1 2257 1490 1 1437 1 1431 1382 1 1 1 2164 1 1 1 1 2650 1 1 1 1844 1135 1283 1318 1520 2143 1503 1 1048 1736 1661 1 1 1087 1 1 1 1 2202 2217 1 97.9747 *97.9747* 97.9747@6.2263565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1314 1 1 1 1 1 1 1 1 1 1 97.9747 *97.975* 97.975@9.239969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97.975 *98.0359* 98.0359@1.9640365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1139 1 1 1 1 98.0359 *98.0365* 98.0365@0.9107043 1 1 1 1 1 1 7138 1 5550 1 1 1 6794 1 1 5915 5737 3408 1 5972 1 1 1 1 6480 1 5322 4792 1 5461 6456 6700 4661 1 1 1 5860 4198 1 1369 7433 5648 5360 1 1 5820 7534 7093 4761 1 1 1 1 6664 1 1 1717 1 2767 7941 4549 7013 1 1 6529 1 1 1 5654 5517 1 1 6229 6713 3792 1 5515 5572 1 1 1 1 1 5256 1 6234 4803 1 9217 8077 98.0365 *98.0368* beta-vinyl acrylic acid + 3.1429625 1521 1 1 1918 1962 1 2532 1178 1394 1566 1 1236 2119 1480 1219 1861 1061 1461 1216 1 1 1624 1376 1 1 1333 4269 2106 2103 1322 2946 1356 1744 1305 2141 1884 2889 3330 2329 1835 1416 1342 1191 1 1450 1741 1 1254 1415 1 1 1 1943 1366 1 1 1 1 1 1 2182 1926 2482 2224 1 1110 1206 1 1 1368 1 1 1 1 1 1 1249 1 3013 2919 1 1208 1 1049 1 1 1688 3567 1 1 98.0368 *98.0369* beta-vinyl acrylic acid 5307 6696 6175 4583 5553 7563 1 6909 1 1 4705 5038 1 5125 4792 1 1 2099 7553 1 8139 7277 6600 6199 1 4853 1 1 5011 1 1 1 1 4164 6045 6324 1 2565 5990 5782 1 1 1 5719 6084 1 1 1 1 5092 5915 5408 7162 1 5386 4430 2994 4927 3953 1 2184 1 4940 6245 1 4830 1 1 1 1 7252 5662 1 1 1907 4864 1 1 7137 6757 7729 5372 5320 1 5727 1 1 4452 1 1 98.0369 *98.0371* 98.0371@0.71130425 1 1 3145 1 1 1 1 1 2543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1723 1 1 1 1 1 1 1 1 1 1 1 1711 1 1 1 1 1 1 1 1255 1 1 1 1 1 1005 1 1 1118 1 1945 1 1 1 1 1 1 1134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1246 1 1 1 98.0371 *98.0376* 98.0376@1.2509892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.0376 *98.0382* 98.0382@2.3460507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.0382 *98.0397* 98.0397@3.8191068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.0397 *98.0399* 98.0399@0.94997555 1 1 1 1 1596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.0399 *98.0718* 98.0718@3.6570199 1 1 1 1 1 1 1 1 1 1 1249 1600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2188 2261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.0718 *98.0726* 98.0726@3.5451274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.0726 *98.0815* 98.0815@3.2366147 1771 2164 2179 1882 1773 1919 1901 1814 1752 2017 1695 2008 1837 2114 1787 1824 1680 1869 1736 1711 1936 1615 1922 2112 1430 1715 2223 1531 1593 1764 1926 1717 1959 2237 1695 1951 1839 2231 1793 1703 1283 1879 1885 1880 1720 1644 1992 1995 1 2033 1761 1449 1850 1468 1437 1349 1510 1711 1782 1815 1729 1611 1964 1340 1824 1725 1922 1760 1576 1843 1766 1576 1703 1610 1869 1343 1709 1765 1706 1807 1854 1858 1519 1832 1644 1671 1684 1481 1815 1620 98.0815 *99.0167* 99.0167@0.7748954 3757 4029 1 1 3178 3729 1 3215 1 3522 3518 3296 1 3268 3451 1 3447 3405 3233 3001 3762 3383 3488 3601 3423 1 3548 3167 3556 1 3586 3464 3793 3393 3818 4247 4045 4003 3839 3968 3729 3387 3226 3696 3331 3691 3449 3702 3723 3674 3786 3961 3515 3748 3924 3854 3135 3677 4344 4147 3847 3154 3484 3449 3521 3289 3405 3454 3505 3547 3874 3636 3618 3759 3692 4063 3698 3883 3717 3839 3335 3722 4084 4062 3758 4088 3888 3479 3625 3352 99.0167 *99.0315* 99.0315@2.985926 1760 1 1 2905 39681 1 5106 5376 2207 1761 1 1 3069 1 2383 2451 1359 1 2533 3031 1 1439 1 1 1 2395 3684 1 1 1618 2358 2798 1 3225 1748 1 1 1 1 1889 3490 3464 2332 2408 3536 3131 1 1 1 1 1985 1 4752 4344 1 1 2674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3568 3653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.0315 *99.0322* 99.0322@2.972686 1 1946 3203 1 1 39152 1 1 1 1 2952 3263 1 2610 1 1 1 1762 1 1 1 1 1 1 2162 1 1 3446 1 1 1 1 3071 1 1 1 3049 2963 2323 1 1 1 1 1 1 1 25719 24279 4355 3946 1 1735 1 1 2714 2557 2682 4893 1642 2359 7287 6898 2445 2248 8672 8866 12030 10549 2513 2640 1950 1 1 1 3701 3153 3217 2696 1 1713 2794 1 3046 2986 1144 1080 2343 2092 3467 3818 99.0322 *99.0329* 99.0329@1.2160081 1 1 1 1 4879 5058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1521 10794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4248 4299 1 1 1 1 1 1 1 1 1 1 99.0329 *99.0336* 99.0336@1.0120158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.0336 *99.0452* 99.0452@0.91726124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2110 2504 1061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.0452 *99.0638* 99.0638@2.9802613 1 1 2357 1 1 1 3134 3515 1 1 1 2041 1068 1731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1423 1 2171 1 1 1 1 1215 1547 1999 2304 1 1 1637 1611 2069 1 1 1 1 1 2497 2155 1 1 2203 2461 1 1 1 1 1636 1 3231 1721 1418 1 1 1020 1963 1 1685 1726 1 1 1 1490 1 1282 1 2403 1 1 1 1 1410 1 2793 1 99.0638 *99.067* 99.067@1.2485225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1272 1 1 1 1 1 1 1 1 1 1 1 1 2232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1327 1 1 1 1 1 1 1 1566 1 1 1 1 1 1 1 1 1 1 99.067 *99.0671* 99.0671@0.9819859 1423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1558 1 1 1210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.0671 *99.0674* 99.0674@14.753194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.0674 *99.0677* 99.0677@6.289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.0677 *99.0679* 99.0679@6.231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.0679 *99.0681* 99.0681@6.013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.0681 *99.0682* C5 H9 N O + 3.4579864 244195 241655 5739 132372 1 1 1 1 185714 1 1 1 3450 2131 7768 1 143025 142123 2564 1 331834 314397 1 1 1 129380 163521 15927 1 1 2900 1632 1 1 8239 1 1 1 1 1 74547 3041 166504 176100 1 5362 1 1 8931 110870 3763 2230 1 1 1 1 2182 1693 1 1 1 1 1 1243 1 1 1 1 1 1 2719 1 1 1 367111 370167 1 1 97666 94176 2706 1 1 1 4553 1501 3129 159995 1 163240 99.0682 *99.0682* 99.0682@6.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.0682 *99.0682* 99.0682@2.0189743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5795 1 1 1 1 1618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1292 1 1 1 1 1 1 1 99.0682 *99.0682* 99.0682@4.2608485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1158 1 1 1 99.0682 *99.0682* 99.0682@3.3466742 319776 1 11459 1 1 1 1 1 1 1 1 1 10040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158135 1 1 23771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114827 1809 79070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.0682 *99.0683* 99.0683@1.9456583 1 1 1 1 1 1 24753 1 1 2340 1302 1 1 1 1 1188 3214 1 1 1 1470 1 1 1056 1 1 1 1 1 1 1 1 1 1 1 1 1123 1 1603 1 1 1 1 25129 1 1 1 1 2530 1 1 2070 1 1 1 1 12744 1 1 1 5191 1 1 1 1 1 1 1 1 1 1 1 8954 1 1 1 1 1 1780 2167 1 1 1446 1 1 1 1 2466 1 1592 99.0683 *99.0683* C5 H9 N O 1954400 2031346 123520 3781 633075 671396 736524 691289 1445 191006 439085 492182 70862 81816 69249 72914 2653 3010 44171 45580 3932 3176 88557 104807 126464 1539 4477 2371 1156222 1156215 13756 32238 145179 144516 151484 149734 328604 337573 84794 86524 1423 77758 2034 2270 80109 80025 332941 324506 3231 11140 2421 77968 45280 49645 77598 70741 72537 75000 1634539 1662805 122148 121679 53075 53856 120163 118983 249459 236208 330512 336993 35981 38229 175696 178219 4143500 4192270 353826 347101 2018 2020 111583 108737 904009 765081 101328 99343 160605 2242 166697 2051 99.0683 *99.0684* 99.0684@2.0145473 1 1 1 6377 1 13468 13300 1 1 1 1 1 1 4918 1 1005 12447 1 1 13242 1400 1 1 1452 1 16545 1 1 2084 3029 12006 1 1 1 1 1 5741 1520 1 1 39838 43341 1 14071 1 1 29844 1 11571 1 1 1 1 7654 2830 1 11738 1 1 1 1 1 1 1 17069 8279 1 1 1 1 1 1 15779 1 1 1 1 1 2003 2474 1 3789 3764 2881 8454 1 1 4886 1 12116 99.0684 *99.0684* 99.0684@6.19 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.0684 *99.0685* 99.0685@3.068941 3925 5653 3649 2778 4418 4864 4032 4294 3965 1 1390 5214 3258 1 3854 4831 2381 3383 3603 2787 2799 2820 3133 2339 2843 2725 2200 2423 1 3313 2489 2292 2154 2037 2942 2743 1 2460 1 2826 2548 1986 2487 2820 2731 2335 2943 1 3806 3575 2236 2253 1 1 1110 1 1280 1 1 1 1 2967 1 2060 3010 2739 3104 2527 1 1 1 2278 1984 2247 4640 5553 1 1 1294 1341 2578 1 1 1 1 2240 1624 1363 2190 3595 99.0685 *99.0686* 99.0686@3.6801443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1498 1 1 1 1 1 1 1 1 5184 1 4841 1 1 1809 1 1 1 1 1 1 1 1 1 1 1 8237 4325 1 1 1 1 1 1290 1432 1 1 1 1 1 1620 3382 1 1 1 1 1 1888 1 1 1 1 1 1 2303 1 1011 1 1 1 1 1 5179 6113 1 1 1 1 1 1730 5230 1 1 1 99.0686 *99.0687* 99.0687@2.1110556 1 1 1 12684 1 8674 33521 27907 1 1 1 1 1 5632 1 8283 1 1 1 1 1438 3248 1 1 1 11610 1 1 1 1 12531 1 1 1 1 1 2120 1 1 1937 52625 51168 1 1584 1 1 33944 1 3238 1 1 1 1 1 1 1 14914 1 9297 1 1 1 1 1 1 5555 1 1 1 1 1 13649 11666 1 1 1 1 1 1478 2595 3812 1 2477 1 1 1 1 1 1 1 99.0687 *99.0688* 99.0688@1.6920623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4482 1 1 1 1 1 1 1 99.0688 *99.0689* 99.0689@13.343016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.0689 *99.0835* 99.0835@5.923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1221725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.0835 *99.0967* 99.0967@6.551619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.0967 *99.0996* 99.0996@3.6902466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2041 1689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.0996 *99.0998* 99.0998@4.1988664 1 1 1 1 1 1 2649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.0998 *99.101* 99.101@3.316263 1 1 1955 1 1 2089 1 1 1508 2353 2036 1250 2216 1 1 1 2088 2099 1 3001 1 1395 3556 1 1 1 1757 1 1 1 1 1 1 1239 1637 1 4436 1 1476 1546 2750 2919 1211 1 2517 1 1 1942 2011 1 1 1 1 1 1 1 2985 1 1 2423 2539 1 1 1 1 4090 1 1 2492 1 4207 1 1 3018 1 1 2169 1 1 1 1 4376 1 1 3299 1 1 1 2540 1 99.101 *99.1022* 99.1022@3.8480072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2375 2562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.1022 *99.1034* 99.1034@6.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.1034 *99.1035* 99.1035@4.122656 1 1 3849 3674 3314 3063 1 3595 4002 4133 3267 3040 2919 2755 3481 1 2898 3248 3235 2565 3407 4103 3562 3082 2580 2855 3026 2775 1 3075 3335 3071 3104 3292 2531 3465 2430 3114 2397 2781 2830 3024 3026 3460 2627 2711 1 2865 2779 3200 2489 2720 2436 2626 3334 2835 2157 2820 1 1 2729 3824 2628 2506 2816 2857 3404 1 2508 2693 2925 2460 2958 2709 1 1 3183 3115 3314 3823 1 2396 1 1 2678 3012 2839 2943 2479 2605 99.1035 *99.1036* 99.1036@6.062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.1036 *99.1036* 99.1036@2.9594686 1 1 1 1 1525 1 2096 1 1 1 1 1 1 1 1623 1 1 1 1 1 1 1 1872 1 1214 1 1 1 1 1 1 1 1 1 1380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.1036 *99.1036* 99.1036@0.7230099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.1036 *99.1037* 99.1037@13.415745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.1037 *99.1039* 99.1039@14.265605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1751 1 1 1 1 1 1 1 1 1 1 1113 1 1 1 1 1 1 1 1 1 1634 1 99.1039 *99.1043* 99.1043@1.2885835 1 1 1 1 1 1 1185 1 1 1 1 1 1 1 1 1 1 1421 1 1464 1 1 1 1 1 1 1 1 1112 1 1 1237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3095 1 1 1 1 1 1 1 1 1033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.1043 *99.1044* cyclohexylammonium 6083 6256 8196 8225 5276 6499 12577 10489 6762 6941 21677 22936 1 6065 7770 8144 12900 12507 7080 5627 4682 6184 8383 8036 23687 24437 6648 6452 21061 20168 14941 14660 9390 9020 11424 10556 18927 19109 4820 4533 6765 7118 9933 9208 6923 6237 4320 3987 6729 7258 22660 22424 22508 19622 20082 21209 17118 18572 20907 20531 13631 13189 43800 43873 19284 17604 18595 17913 17570 16430 19063 18402 15948 16272 2815 3914 17932 19358 21614 22257 18633 18776 15385 16173 23651 25593 17026 16790 14893 14802 99.1044 *100.0011* 100.0011@0.77595925 14889 15365 14059 13997 11423 13907 14296 13737 14152 14687 13584 13049 13973 14024 14339 13918 13771 13404 13236 13482 13280 13286 14189 14430 13458 12854 13310 13457 13761 12866 13333 13320 12745 14076 14391 14252 13716 13997 13621 13635 11812 12674 14001 13131 12850 14117 12782 13067 15087 14365 13449 13432 13705 14763 12909 12685 13496 12783 14644 14538 12984 12992 13642 13079 12321 12479 14043 13228 13545 13413 13995 13715 12640 13137 13676 14405 13688 13357 13023 12866 12671 13418 14117 14321 12701 13484 12273 11974 12235 12253 100.0011 *100.0021* 100.0021@3.3431754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0021 *100.0165* 100.0165@0.9119978 1 1 1 1 1 1287 1596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1190 1 1 1 1 1 1 1 1 1 1402 1 100.0165 *100.0347* 100.0347@0.93803203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2339 2328 1 1 1 1 1 1 1 1 1 1 100.0347 *100.0526* 100.0526@3.1509376 1 1 1 1 1 1 1 1 1 1472 1 1687 1 1885 1 1 1670 1659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2210 1852 1 1 1 1 2398 2941 2713 1238 1213 1 1641 2019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0526 *100.0527* C5 H8 O2 1 1226 1 2350 3853 5013 1739 1990 1217 1902 1551 1935 2731 2777 1 1 2354 1939 1640 1609 3083 2730 1 1 2601 2794 6005 5617 1363 1546 2540 2186 3932 3746 2854 3419 7770 6564 1764 2007 1786 1474 1140 2063 2817 2698 1637 1699 2087 2379 1 1 2005 2038 1 1 2152 1 1158 2388 4088 3976 1 1546 1827 2436 2622 2535 3538 3432 1402 1572 2013 1 1 2400 1133 2082 3031 2971 3715 4018 3745 3220 1400 1944 5401 5184 1 1878 100.0527 *100.0527* Glutaral (Glutaraldehyde) 3497 3207 5766 4938 5913 6545 11050 11245 4495 5708 4904 5443 4843 3879 5194 3587 2826 3601 3412 3814 3570 3451 10310 10329 4410 3811 3385 3261 4117 4823 5470 4989 5078 4130 7204 5733 8487 6554 4605 4229 4849 4364 6055 6926 6068 5176 5981 5131 4800 3943 4286 3389 5482 8038 7173 7093 3659 2481 4135 7379 5500 5131 3290 3988 2377 2988 4200 4868 2443 3027 4126 4180 8218 5328 2197 2940 5328 8550 6836 5626 4232 4536 7142 5946 6281 5265 4847 5300 4922 7052 C12518 100.0527 *100.0528* 100.0528@1.0710161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0528 *100.0549* 100.0549@6.010379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3146 1 1 1 1 1 1 1 1 1 1 100.0549 *100.0554* 100.0554@1.0207906 1 1 1 1 1 1 1 1 1 1 1 1 1 1526 1 1 1 1 1 1 1 1576 1770 1 1 1 10113 3292 1333 1 1 1 1054 1 1 1 1 1 1 1 1 2078 1012 1 1008 1870 2192 1 1 1 1 1 1 1475 1 1 1 1 1686 2761 1 1 1 1 1 1 1 1 1 1 1024 5692 1 1 1 1 1 1342 1556 1235 1961 1 1 1 1622 1244 1 1 1 1 100.0554 *100.0564* 100.0564@3.4682596 1 1 1201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1110 1 1 1 1 1 1 1372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0564 *100.0565* 100.0565@1.2300714 1 1 1 1 1085 2473 1 1 1 1 1 1 1 2391 1 1 1092 1708 1935 2331 1 1 1 1 1 1 2063 1881 1 1 2350 1385 3032 1 1476 1 1460 1 1 1 1 1 1 1 1 1667 1866 1268 1 1 2049 1 1 1 1 1 1 1 1 1232 1812 1 1628 1 1214 1903 2188 1 2423 1 1 1 1 1637 2293 1 1 1442 1 1 1294 1 1005 1 2174 1 2368 2601 1777 1622 100.0565 *100.0581* 100.0581@1.0095038 1 1 1 1 1 1981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1283 1 1 1 1221 1 1 1 1 1 1 1 1149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0581 *100.0588* 100.0588@1.0913352 1 1706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1186 1 1 1 1 1 1 1 1 1 1 1907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0588 *100.0636* 100.0636@0.891521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2725 1 1 1 1 1 1 1 1 10703 1 1 1 1 1 1 1 1 1 1 1 100.0636 *100.0642* 100.0642@3.452087 1 1 1 1 1 1 1 1 1 1 1697 1 1 1 1 1 1 1 1 1 1 1734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1 1 1 1 1 1 1 1 2062 1745 1 1 1 1 1 1 1 1 1 1006 1 1 100.0642 *100.0679* 100.0679@3.9508474 1311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1780 1 1 1 1 1 1 100.0679 *100.0681* 100.0681@3.486289 1 1 1 1 2862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1416 2141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1330 100.0681 *100.07* 100.07@4.005479 3581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.07 *100.0702* 100.0702@2.0449986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0702 *100.0705* 100.0705@4.1344466 1103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0705 *100.0709* 100.0709@4.1944313 2058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0709 *100.0882* 100.0882@5.931338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3365 3857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0882 *100.1005* 100.1005@1.2216841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1084 1 1 1 1 1 1 1 1 1 1573 1631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.1005 *100.104* 100.104@1.2174776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1337 1 1 1190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.104 *101.0053* 101.0053@0.77498245 1 1 1 1 2062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0053 *101.0469* 101.0469@1.459965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0469 *101.0471* 101.0471@0.77320844 1400 1 2020 1236 1 1390 1764 1 1 1 1 1 1 1342 1 1 1 1339 1 1 1 1 1 1 1 2711 1 1 1512 1 1 1 1 1 1949 1 1 1 1 1 3002 1 1 1 1 1 1 1 1 1 1 2867 1 3971 4415 1 2478 1 1 1 1 1 1 1 1 1 1 1 1 1 3023 1 3689 1 6741 1 1 4510 1 1 1 1 1 1 1 1 1 1 1 1 101.0471 *101.0471* 101.0471@2.8816392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0471 *101.0472* 101.0472@2.6744907 1 1 1 2607 1 1 1 1 1 1 1 1 1 1 1 3302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0472 *101.0472* 101.0472@0.78201103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0472 *101.0473* 101.0473@0.73859334 1 4516 1 1 1 5239 1 1 1 1 1 1 1 1 12564 1 1 1 7229 7325 1 1 4184 1 5386 1 1 9600 3034 1 8600 1 10528 1 4420 8303 1 1 1 1 1 14957 1 1 5465 4011 4205 1 5866 1 3735 1 1 1 1 12291 3664 1 8631 1 1 1 1 15954 7413 6598 4810 1 3889 1 7004 1 1 5532 3886 1 1 3350 1 1 1 1 4846 1 1 6952 4499 1 1 1 101.0473 *101.0473* 101.0473@1.4384613 1 1 1 1455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0473 *101.0474* 101.0474@6.302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0474 *101.0474* 101.0474@1.1267369 1 3329 1 1 5700 1 1 1 1 1 1 1 1 1 1 1925 1 1 1 1 1 1 1 1 2019 1 1 1 1 1 1 1 4874 1 1 1 1 1 1 1 1 1 3767 1 1 1 1 1 1 1 1 1 5395 1 1 1 1 1 7276 1 6939 6184 1 1 1 1 4876 4881 1 1 1 1 1 1 1 1 1 1 8054 7788 1 1 1 1 1 1 2893 1 1 1 101.0474 *101.0474* 101.0474@1.733953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0474 *101.0476* 1-Aminocyclopropane-1-carboxylic acid 1 5564 1 1 1 1 10815 6146 18522 1 6505 1 1 1 6597 1 6129 1 1 1 1 5212 1 1 1 1 1 6688 11119 1 9798 9502 1 4737 8965 9396 6699 1 1 1 7493 1 1 1 3805 6594 1 1 6859 1 1 9605 1 7776 1 5218 4941 1 3209 1 1 1 1 1 8836 11667 1 1 4716 1 5141 1 1 7163 5781 5079 1 8174 1 6058 8124 1 5151 10428 9844 9763 1 1 12813 10516 HMDB01135 101.0476 *101.0476* 101.0476@6.26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0476 *101.0477* 1-Aminocyclopropane-1-carboxylic acid + 1.2266328 1 5313 1 6428 24855 1 8846 7460 7518 4865 8411 6990 6015 4158 6671 7345 5247 1 7211 9593 8312 7405 1 1 4319 1 5960 1 1 1 7387 5821 9016 9006 5084 1 3956 1 5246 1 1 3722 6433 4791 1 1 4761 1 9051 6777 1 4367 9229 5497 6197 7139 3861 1 6413 1 4566 5324 5088 2935 7435 5950 6552 6864 4814 1 5286 1 5152 1 1 4533 1 1 12331 6131 6564 4919 4705 7235 7285 4469 6370 8398 5965 3469 HMDB01135 101.0477 *101.0477* 101.0477@6.068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0477 *101.0477* 101.0477@1.0322535 1 1 1 1 1 1 1 3170 1 1 4351 1 1 2178 2221 2547 1 1 1 3884 1 1 1 1 1847 1 1 1 1 1 1 1 3776 1 1 1 2458 1 4431 1 1 1 1 1 1 1 2346 1 1 1 1 1 3881 1 1 1 1 1 1 1 1 1 1 1 1 1 3362 4709 1 1 2909 1 1 1 1 1 1 1 1 2603 1 1 4117 1 1 1 5667 5971 3085 1 101.0477 *101.0479* 101.0479@1.5079631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0479 *101.0481* 101.0481@3.2823951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2121 1 1 1 1 101.0481 *101.0482* 101.0482@6.019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0482 *101.0487* C4 H7 N O2 11052 10413 7366 8073 10527 6189 8883 7333 10118 9907 9004 9578 10261 10496 9384 10146 10539 9976 1 8411 8084 7841 8862 9395 10057 10006 6701 6251 8707 8219 10831 9400 8921 1 8918 8318 6358 7794 8911 8333 10930 10627 9649 8820 9004 8702 8016 7359 7443 7387 7669 7151 9755 9991 8624 7063 7934 9387 9190 9483 7690 8318 8482 7752 10270 8946 7476 6012 8714 9747 9124 7681 8722 6883 8854 9588 7948 8522 7965 7599 8587 8046 7010 6897 6762 8044 8684 10948 8351 10629 101.0487 *101.0594* 101.0594@3.370086 1 1 1 1 1 1 1 1151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0594 *101.0658* 101.0658@3.3491142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0658 *101.0763* 101.0763@3.8650055 1176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1096 1 1058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0763 *101.0765* 101.0765@4.1424446 1290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0765 *101.0801* 101.0801@3.789504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1186 1 1 1094 1 1290 101.0801 *101.081* 101.081@0.92917085 1898 1509 2288 1735 1389 1343 2261 1 1880 1810 2015 2260 1854 1651 2120 2194 2808 2319 2353 1 1357 1223 1504 1136 1461 1292 2600 1896 1218 1 2875 2750 2526 1 1 1273 1823 1611 1244 1458 1710 1504 1792 1507 1680 1886 1 1 1785 1 1347 1386 2047 2456 1802 1620 1649 1108 1 1351 1423 1731 1927 1562 2621 2235 1532 1507 2018 2021 1 1 3937 2395 2129 1365 1489 1286 2227 1957 1702 1340 1613 1 1433 1114 2767 2572 1111 1265 101.081 *101.0931* 101.0931@1.2475471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6115 6756 1 1 1 1 1 1 1 1 1 1 101.0931 *101.1179* 101.1179@6.004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.1179 *101.118* 101.118@6.033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.118 *101.1188* 101.1188@6.121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.1188 *101.1188* 101.1188@6.235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.1188 *101.1193* C6 H15 N 1798 1373 1285 1419 1 2548 1388 1456 1 2266 1 1134 1 1124 1384 1702 1 2029 2848 1804 1 2525 1 1059 1 1846 2652 1 1 2744 1116 2284 1726 2738 1837 1858 1800 1998 2827 1959 2827 1973 1 2301 2116 1789 1769 1 1 1973 2548 1681 1913 2046 1834 1840 1 1462 1687 2025 1524 1 1494 1256 1936 1 2074 1 1541 1 1 2145 1780 2016 1732 2141 1280 1784 2007 1907 1621 1 2058 1252 1815 1542 1093 1 2005 1837 101.1193 *101.9615* 101.9615@0.7773597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1122 1 1 1 1 1 1 1 1 1386 1 1 1 1 101.9615 *101.9973* 101.9973@0.7759167 1 1 1 1 1 1517 1 1512 1 1774 1 1365 1 1 1 1 1 1 1 1 1639 1 1 1746 1 1 1781 1 1486 1 1 1 1964 1510 1 1 1905 1 1332 1 1630 1 1 1 1 1718 1 1 1 1 1 1 1 1 1 1 1 1 1 1661 1851 1 1 1 1607 1 1 1575 1675 1 1 1585 1 1 1435 1 1425 1 1394 1 1 1 1 1 1 1 1 1 1 1 101.9973 *101.999* 101.999@0.7765197 1877 1531 1370 1808 1577 1 2112 1 1983 1 1531 1 1601 1835 1746 1891 1702 1770 1919 1704 1 1392 1684 1 1655 1417 1 1155 1 1528 1446 1722 1 1 1741 1905 1 1844 1 1684 1 1454 1869 1878 1928 1 1601 1452 1357 1 1450 1 1670 1694 1520 1461 1514 1731 1756 1 1 1 1 1647 1 1 1694 1 1 1778 1498 1 1703 1374 1 1 1 1 1 1369 1610 1616 1919 1800 1513 1770 1 1 1364 1492 101.999 *102.0289* 102.0289@0.7590042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.0289 *102.0307* 102.0307@0.672205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1209 1 1 1 1 1 1 1 1 1 1 1 1 1463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1442 1 1 1 1 1 1 1854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1590 1 1 102.0307 *102.0322* 102.0322@3.9631639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1597 2027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.0322 *102.0323* 102.0323@4.408502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.0323 *102.0324* Acetoacetic acid 5356 4968 4865 5078 5214 6798 7922 7191 5744 5867 6443 5712 5469 5088 6190 6312 6766 6309 6589 7258 5594 5300 4354 5820 4141 4935 6128 6783 5260 5298 9430 9610 5711 5708 4277 4164 5987 5189 5101 4809 4783 5148 5809 5415 6832 5711 6999 7389 5811 6363 3495 4389 6444 6318 5281 5152 4343 4205 5464 4145 5490 5931 5365 4597 6072 6761 4056 4936 5758 4815 5966 5393 7332 7117 4347 5531 4661 4272 6834 6974 4300 3526 5490 6635 4129 4087 6127 6777 3462 4332 HMDB00060 C00164 102.0324 *102.0324* 102.0324@3.370215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1695 1436 1 1 1 1 1 1 1 1 1 1 102.0324 *102.0324* 102.0324@0.69955754 1 1 1 1 1 1 1 1 2400 1 1 1 1 1 1001 1 1 1 1 1 1 1 1 1 1018 1 1678 1 1 1 1 1 1214 1 1 1139 1740 1279 1 1 1 2555 1 1654 1 1926 1 1 1 1164 2798 1 3286 1 1 1 1 1 1 1 2075 1 1 1 1 1 1 1 1 1 1 1 1 2623 1 1 1 1 1 1 1 1 1 1 1 1 1153 1 1013 1 102.0324 *102.0331* 102.0331@0.65254927 1 1 1 1257 1 1 1 2133 1040 1 1 3555 2246 2656 1087 1129 1 1 1 1 2654 1 1298 1 2253 1 2061 3238 1 1 1 2663 1996 1175 1 1 1671 1983 2594 3397 1749 1 2506 1442 1 2401 4144 1 2452 1627 1851 2493 2573 2340 1 3520 1 1 1 1 2064 1389 1 1 1 1 1 2141 1 1 1 1 1 1143 1 1 1 1 1516 3011 1 1031 3655 1701 1 1 1696 2436 2411 1 102.0331 *102.0334* 102.0334@4.199623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1846 2008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.0334 *102.0335* 102.0335@3.6912265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1304 1845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1300 1067 1 1 1 1 1 1 1 1 1 1 102.0335 *102.0348* 102.0348@0.9860371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1072 1 1 1 1 1 1 1 102.0348 *102.0354* 102.0354@4.4066668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.0354 *102.0361* 102.0361@0.7210156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1465 1 1 1 102.0361 *102.0394* 102.0394@0.9009723 1 1 1 1 1 1 1 1 1 1 1 1 1 1221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.0394 *102.0464* C8 H6 4652 79323 97169 98627 3947 4067 81602 79788 3635 59923 104194 104786 76706 4668 4725 79251 109573 105095 4322 68869 4330 3942 3819 3673 80681 4782 82057 83032 86024 86330 85244 87770 75159 4749 80207 76919 3603 57955 4309 4295 4933 5214 4417 4073 3332 3499 76785 4928 81735 81870 4181 77926 93924 5487 3557 3780 75940 76185 63667 4550 75508 73775 5418 89254 116987 117782 4061 56234 97483 5279 70294 4332 101493 5479 88113 88024 79381 75872 3953 4071 4139 4171 92417 5710 3952 61951 139924 138841 67220 4167 102.0464 *102.0676* 102.0676@3.5323915 1 1 1 1 1 1 1 1 1 1 1 1210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1814 1989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.0676 *103.0493* 103.0493@1.2463506 12226 13534 11996 12402 1 1 1 14528 8901 9188 21862 20600 10343 10564 9742 9734 14371 12835 9800 10238 1 1 1 1 13017 13279 1 1 8081 1 11579 11846 10344 10717 8730 8593 1 1 1 1 16061 1 1 1 7962 7741 12164 11174 1 1 1 1 11659 11711 8674 7623 11795 11341 9292 10564 9841 11974 10166 9614 11248 11470 1 1 14711 13795 1 1 13419 15330 1 1 8814 1 1 6777 1 1 9368 1 1 1 19718 20670 1 7780 103.0493 *103.0523* 103.0523@1.27092 1 1309 1 1 1 1 14619 1 1 1 1 1 1 1 1 1 1 1 1 1866 9056 9407 7158 6876 1 1 10469 9512 1 7925 1 1 1 1 1 1 8568 8855 11037 12066 1 20436 18782 17223 1 1 1 1 11294 10169 7762 8924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9847 9237 1240 1 8750 8135 1 1 1 1 1 8728 1 1 8243 7715 1 8528 9020 8548 1 2732 8986 1 103.0523 *103.0523* 103.0523@1.4540211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1459 1 103.0523 *103.0577* 103.0577@1.329342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1970 1 1 1 1 1 2100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17796 19343 1 1 1 1 1 1204 1 1157 1 1 1 1 1 1 103.0577 *103.0624* 103.0624@2.9184253 1 1 1 1 1 1 1 1 1 1 1490 1 1 1 1 1 1 1 1 1 1 1 2112 1 1 1 1 1 1 1 1 1 1 1 1 1 1898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1849 1 1 1 1 1 2490 1 1 1 1 1 1191 1 1 1 1 1 1 1 2563 1029 1 1 1 1 1 1 1 1 1 1 103.0624 *103.0635* 103.0635@2.940523 1 1 1 1 1 1 1 1889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2062 1 1879 1797 1866 1 1 1 1 1 1808 1 1 1 1 1668 1 1 1 1 1 1689 1 2283 3169 3158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1451 1503 2493 1 1930 1 1 1881 1 1 1 1 1 103.0635 *103.0946* 103.0946@1.2420151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1088 1 1 1 1 1 103.0946 *103.0989* 103.0989@1.1432924 1 1 1 1 1 1 8005 1601 1514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13342 1 1192 1 1 1 1 1 1 1 1 5869 1 1 1 1323 1626 2574 1 1 1 1 2143 1 1 1165 1 1 1 1 1 1 1 1 1 1 1164 1156 1 8211 1 1 1225 1 8982 1498 1 1092 1 1880 1 1 1 1 1 1 1 1 1101 1 1 1 1134 1 103.0989 *103.0992* 103.0992@1.0407956 1 1 1 1 1 1 1 1 1 1 19004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2382 1 103.0992 *103.0994* 2-Amino-3-methyl-1-butanol + 1.045414 4189 1 3029 1 1 1 21199 1 17339 6262 110428 176494 1108 1 3237 1 1 1 13067 1 1898 1 1 1 1 367445 41010 2082 7821 1 1 1266 1 1 3163 1597 4806 11295 23448 1 1 1307 442190 1 1 1 8216 11673 1 1139 6538 7279 3031 1 1743 2712 62493 1 16661 1 1658 1 1 6746 1 248140 1 1 1 1 206078 42903 1 9132 1 2214 1 1 1 1 1 1 1 1 2630 1 1 4003 7806 4064 103.0994 *103.0998* 2-Amino-3-methyl-1-butanol 628934 634494 799612 793435 425310 440903 565191 586590 677553 695277 746251 709857 748885 752548 674247 681498 962517 967156 727082 731162 653956 667063 590592 601862 510173 130448 733565 778821 558121 555166 992457 985201 614558 604637 600570 602411 772513 742284 906507 952728 714832 747221 182748 648753 723298 731383 757705 748721 691838 702642 539751 531723 566814 574915 605245 618651 431220 487007 557731 568270 707359 717047 949274 925467 662579 427346 619004 629075 950206 968526 646874 797795 660995 516547 683772 672852 893237 882629 1258406 1242345 780149 755833 823224 796366 665678 678811 849985 851945 612667 613291 103.0998 *103.1032* 103.1032@1.1118311 1 2363 1 3859 1 1 1 1 1 1 1 2412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5939 1 1 1 1 1 1 1 1 1 3066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103.1032 *103.9848* 103.9848@0.81071174 22718 27041 24712 19527 22493 21111 23238 22226 24909 20956 25156 21000 20308 19430 23755 28372 21738 20027 24628 22971 20970 19865 18679 21450 19495 20666 20183 20454 20397 20032 22493 19951 18821 21350 21502 21574 21087 21883 23141 20751 20599 20586 20093 20476 24585 19964 22187 22575 19651 21206 20857 20080 20025 22794 20817 19511 19414 20264 21268 21888 22417 21753 19578 25881 18515 20525 19662 20724 1 20457 23934 25658 22274 21593 19368 20174 20272 19164 20621 18390 23918 20578 19562 20410 18024 18270 24351 22537 20593 22450 103.9848 *103.9848* 103.9848@0.88135934 30320 23492 23912 27984 31024 28802 30148 28551 24835 29286 1 29728 28860 1 25185 1 28896 32729 23576 25607 28395 29605 30670 28829 1 1 25307 27999 1 1 1 1 28812 26020 29412 30627 30067 29541 1 29048 1 28861 30430 31740 25775 1 32723 31585 29887 31213 29927 28962 31842 31019 12355 30284 23914 27835 28074 29269 29816 30921 29529 23247 29002 27329 1 27737 21635 1 1 23078 29553 31474 28050 1 27300 28337 27176 1 26015 1 33377 28997 1 27396 1 24678 29664 28016 103.9848 *103.9857* 103.9857@0.97685814 1 1 1 1614 1 1 1042 2231 1 1 1 1 1 1 1 1 2135 1 1752 1001 1 1 1 1 1 1 3714 1 1 1 1 3112 1 1 1 1 1 1 2092 1 1 1 1 1 1730 1 1 1 1567 1 1 1 3543 1 1 1380 3515 2696 1182 1 1 1 1 2244 1 2263 2325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2592 1 1 1 1 103.9857 *104.0271* 104.0271@4.3711405 1 1 1 1 1 1 1 1 1 1 1097 1379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10190 10555 1 1 1 1 1 1 1 1 1 1 104.0271 *104.0273* 104.0273@7.890921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.0273 *104.0277* C7 H4 O 4145 4496 3970 3999 3986 4002 4328 4238 3730 3687 4075 4287 4387 4483 4620 4792 4376 4320 3400 3656 4503 4023 3581 3981 3908 4301 4326 4481 4339 4416 3587 3917 3750 3867 3758 3444 3657 4280 3554 3701 3718 3857 4083 3966 4547 3725 3126 3265 3701 3747 4492 4300 3628 4527 3731 3643 3837 4072 3985 4028 3675 4119 3417 3354 3972 4276 4039 3881 3109 3253 2893 3090 3469 3558 3800 3358 3675 3431 4193 3817 3993 3718 3294 3880 3735 3459 4161 4078 3696 3484 104.0277 *104.0297* 104.0297@3.0360618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2409 1136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1697 1870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.0297 *104.0307* 104.0307@3.319539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.0307 *104.0371* 104.0371@5.99 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.0371 *104.0371* 104.0371@4.52617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.0371 *104.0379* 104.0379@3.2363567 1358 1 1 1 1380 1358 1 1 1 1 1 1 1 1628 1270 1 1 1 1246 1 1678 1570 1347 1252 1 1583 1 1 1 1 1 1 1 1689 1 1 1107 1 1237 1238 1915 1950 1426 1201 1253 1030 1 1476 1 1 1430 1 1 1671 1 1214 1 1 1 1483 1 1 1717 1 1 1 1068 1 1 2499 1 1479 1 2076 1 1 1 1162 1279 1320 1517 1 1 2018 1356 1 1 1 1 1142 104.0379 *104.0451* 104.0451@0.915701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1195 1249 104.0451 *104.0473* 104.0473@1.2458036 1 1 1 1 1 1003 1 1 3426 3688 1 1 4163 4245 1 1 1 1 5242 4186 1 1 1 1 1 1 1 1 1 1 1 1 5033 5955 1 1 1 1 3772 3868 3735 1 1 1 3767 4118 1 2642 1 1951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.0473 *104.1025* 104.1025@0.9656078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1474 1 1 13241 1 1 1 1 3295 1 1 1 1 1 1 1 1463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.1025 *105.0162* 105.0162@0.8036816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1088 1 1009 1 1 1058 1 1163 1136 1 1 1 1 1041 1 1 1 1 1 1 1 1 1105 1 1108 105.0162 *105.0188* 105.0188@1.043024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1258 1417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1656 1 1 1221 1 8315 1 1 1 1 1 1 1 105.0188 *105.0199* 105.0199@6.018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.0199 *105.0427* L-Serine 4212 4345 4984 6402 4905 5105 5544 5842 4799 5992 4890 5023 6870 8257 5535 6736 6976 5696 9278 7786 5478 5496 9989 9406 2480 3149 6644 4967 5536 6584 8152 7416 7331 9452 6132 6619 11671 13351 7875 8173 9369 8347 6686 7947 7032 7389 8039 8932 7823 7601 7750 6061 9138 7848 5272 5899 4202 4461 7725 7243 7950 6548 7384 6952 5638 5722 4823 4865 6401 7041 10258 8735 5892 6578 4516 5092 8035 6965 11336 8678 8793 8241 7041 7130 8573 7865 4519 5599 8978 11013 C00065 105.0427 *105.058* 105.058@4.5261593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29029 28159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.058 *105.0624* 105.0624@5.1281886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.0624 *105.0749* 105.0749@1.1195012 1 1 1 1 1 1 1 1 1651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.0749 *105.078* 105.078@0.60901356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2430 105.078 *105.078* 105.078@1.2572901 1 1632 1 3039 1 1363 1 1 1296 1 1 1 1 1 1 1 1 1 1 2965 2268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5193 1 1 1 1 1 1740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1365 1 1 1 1 1 1 1 1 1 1 1742 1 1 1 1 1 1 1 1 1 105.078 *105.078* 105.078@2.967879 1 1 1 1 1 1 1 2202 1 1 1 1 1 1 1 1 1 1 1 1 1851 1 1 1 1 1 1 1 1574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1736 1 1 1 1 2291 1845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.078 *105.0783* 105.0783@9.929776 4638 1 1 5021 4780 1 1 1 4618 1 1 1 5184 1 1 3567 1 4195 1 4974 4262 1 3271 1 4327 4383 1 1 1 1 1 1 1 4960 4712 1 5794 5098 1 4260 1 3909 1 1 1 1 1 1 1 1 1 3978 3571 4330 1 1 2951 4664 4390 4269 1 1 4851 3165 1 1 1 1 1 4247 1 1 4888 3018 1 1 1 4021 1 4101 1 1 1 1 1 4302 4964 1 1 3974 105.0783 *105.0784* 105.0784@14.216691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.0784 *105.0786* 3-Methylamino-1,2-propandiol 1 4252 5093 1 1 5490 1 4285 1 3894 1 4678 1 1 4782 1 4354 1 4434 1 1 5060 1 4769 1 1 3106 4055 4425 4875 1 4063 4442 1 1 1 1 1 4573 1 1 1 1 4129 3984 1 4158 4148 4053 4835 4667 1 1 1 3278 1 2122 1 1 1 4747 4375 1 1 3538 4139 4019 4286 3983 1 4564 4961 1 1 1 3995 1 1 3978 1 5534 5772 5385 3490 3644 1 1 6102 5225 1 105.0786 *105.0787* 105.0787@13.366743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.0787 *105.0789* 105.0789@14.377436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1444 1 1 1 1 1 1 1 1 1 1276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.0789 *105.079* 105.079@2.6540742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.079 *105.0792* Diethanolamine 4328 4818 6686 7228 5679 5261 4328 4929 4352 4373 7963 7976 4686 5246 16345 14480 6033 5314 7901 7473 6676 6521 1 1 3808 3089 8689 8903 4780 4435 5305 5500 4569 4567 2980 3818 2723 2541 5208 4759 3518 3397 3048 2970 3820 3440 3776 4295 5168 4883 1 1 1 4708 2616 1 4144 4354 1 1819 6867 7050 4453 4941 9322 8779 7188 7612 7929 7213 3792 4019 4342 4798 5616 5531 4978 4507 5679 5125 4589 5276 3631 4205 5687 6196 6394 7337 4550 5329 HMDB04437 C06772 105.0792 *105.0796* 105.0796@0.8824899 1 1 14022 6470 1 1 1 1 1 1 1 1 1 1 1 2563 1 1 1 12279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.0796 *105.0809* 105.0809@0.88468814 9763 1 1 1 2262 9761 1 1658 13866 3344 1 1 2294 1 11838 1 1 1 1 1 1 1 2351 1 1342 1678 1 1 8984 8943 1574 1 1 1 1741 10641 1 1 1 22308 1 1 11581 14102 16246 17058 1 1 1 1 13030 2310 1866 1 1 1 3124 8990 1 1 1 2252 1 1 9095 1827 2415 6251 1 1 1 2389 1 1645 1737 1 1 1 1 1 1 1 9505 1 1 1 1 1 1 1 105.0809 *105.0854* 105.0854@0.8840199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.0854 *105.0949* 105.0949@0.90068775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1254 1 1 1 1 1344 105.0949 *105.943* 105.943@0.8277343 4586 5309 5856 5037 5470 5300 5969 5907 5725 5550 5492 5226 5040 5391 5336 5681 5069 5522 5870 5633 5317 4923 4961 5048 4840 5289 5562 5406 4665 4969 5681 5649 4768 4599 5278 4966 5587 5005 5057 5126 5770 5608 5044 4715 5051 5001 5651 5765 5624 4977 4758 5222 5089 4833 5481 5308 2467 5588 4727 5236 5161 5270 5468 4803 5138 5444 4821 4923 4994 4998 4729 4745 5288 6181 5053 4785 4948 4790 5228 5601 4895 4868 4887 5308 1 5572 5231 6047 5172 5167 105.943 *105.9438* 105.9438@0.8355075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5378 1 1 1 1 1 105.9438 *106.0447* 106.0447@3.2370203 1 1941 1 2792 1 1 2304 1823 1 1 2347 2426 1 1768 1 1 3123 1 1 1 1803 1 1 1 1 1 1 2681 1 1 1 1 1 1 1 1 1 1 1 1 1 2282 1 1 1 1 1 1 1 1 1 3697 3123 2969 1 1 1 1 1 1 1 1 1 1 1 3347 1 1 1 1 1 1 1 4584 2420 1 2741 1 1 1 1748 1 1 2476 2107 1 4553 1 1 1 106.0447 *106.0452* 106.0452@4.334396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4509 4223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4915 5441 1 1 3354 5204 3586 3558 1 1 1 1 1 1 7896 5579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6011 6270 12444 11643 1 1 1 1 1 1 1 1 106.0452 *106.0469* 106.0469@4.333284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2814 3003 1 2464 1 1 1 1 1 1 2453 1 1 1 1 1 1 1 1 1 2411 2252 1 1 106.0469 *106.0487* 106.0487@4.3362846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2404 2024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1297 1192 106.0487 *106.0491* 106.0491@3.2439353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.0491 *106.054* 106.054@1.0340084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.054 *106.0558* 106.0558@4.500089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.0558 *106.0565* 106.0565@0.71409315 1648 1 1 1 1 2087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1191 1 1 1 1 1116 1 1719 1 1 1 1 1 1 2698 1 1 2951 1 1 1 1092 1 1 1 1 1 1 1 1 1 1 2272 1 1 1 1 1 1 1 1 1058 1 1 1 1 1 1 1 1 106.0565 *106.0565* 106.0565@0.67500585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.0565 *106.0567* 106.0567@5.964445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.0567 *106.0572* 106.0572@4.548092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.0572 *106.0581* 106.0581@3.2420862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2525 1160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.0581 *106.0598* 106.0598@3.4017978 5878 1 4166 3445 4696 4036 2438 3524 3760 1375 2346 3644 3760 2837 3358 1061 1 5249 2166 1 1359 4320 2808 1 4045 3953 1440 2528 1 1 2805 3759 5332 1 1 6145 1 2507 3219 1954 1401 1096 2307 3665 1 3148 1 1585 2149 1331 1908 5044 1 1 1 2820 1972 1258 1 2505 1 3860 1 1910 1 1111 2449 3521 1662 1 1 1 1584 1333 1 1 1317 1 3590 1623 2518 1 1 1 1 2452 2492 2579 1 1 106.0598 *106.0598* 106.0598@7.831771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1209 1272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.0598 *106.0602* 106.0602@3.4442031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3497 1 1 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.0602 *106.0603* 106.0603@5.998832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2750 1 1 1 1 1 1 1 1375 1 1 1 1 1 1 1 1 1 3030 1 1 1 1 1 1 1 2106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.0603 *106.0604* 106.0604@6.014415 1 1 1 1 1 3003 1 1 1 1 2526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4513 1 1480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.0604 *106.0604* 106.0604@3.4294345 1 1 1 1577 1 1268 1 1 1 1218 1 2093 1 1 1 1691 1 1 2381 1 3829 2044 3145 1 1 2561 3294 1 1 1 4309 1 1 1 1 1 1 1642 4865 7312 2141 4082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2235 1 1 1 1087 1 1 1 1 1 1 4534 1 1 1 1 1 1 1 1417 1 1 106.0604 *106.0609* 106.0609@5.930663 3360 3358 3287 3273 2625 1 3279 4103 3222 1 1 2857 2431 2740 4841 3069 1 2894 1 2978 2960 2704 3326 3875 13631 14351 1 2763 3662 2442 3382 3320 2356 3181 3938 3909 3628 1 2537 2367 1 1971 4156 2932 2454 1 2541 1 1 1 4639 1 3916 4012 1 4314 1 3206 3919 3645 1 2644 3950 3261 4137 4629 1 3384 3987 4280 3224 2693 2749 3161 1 1 3002 2354 3974 1 2695 3493 3482 3161 2642 3819 3150 2754 3123 3473 106.0609 *106.0612* 106.0612@3.09228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2018 1 1 1 1 1 1 1690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4206 4240 1 1 1 1 1 1 1 1 1 1 106.0612 *106.0619* 106.0619@12.733584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.0619 *106.0625* 106.0625@9.774897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2373 1 1 1 1097 1 1 1 1 1 1 1 1 1 1 1 1 1 1037 1 1 1 1 26642 1 22401 1 1 1 1 1 1 1 1 1 2401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2946 1 1344 1 1 1 1 1552 1 1 1 1 1 1 1229 1 106.0625 *106.0626* C4 H10 O3 35539 35374 29443 28722 25276 24944 33234 32914 27394 28580 29690 30821 32334 33566 40031 39850 27282 27676 32286 32700 51796 52189 42713 44056 48614 47950 34410 34343 47329 46491 42154 45648 30472 29769 44543 41785 29518 29016 31370 28151 23690 23913 30508 29587 2808 28986 1001 23050 25080 25000 33615 37722 38697 39319 27704 29698 26988 30601 30684 28386 26023 24623 21178 18472 21302 22623 22102 22087 27234 25235 20506 21086 21886 19693 25222 28030 20965 21135 21309 22325 20363 22222 21567 21552 22419 24662 26695 23755 29903 30663 106.0626 *106.0648* 106.0648@9.927661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.0648 *106.0754* 106.0754@4.274004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2811 3137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.0754 *106.9586* 106.9586@0.8825296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2659 2473 1 1 1 1 1 1 1 1 1 1 106.9586 *107.036* 107.036@1.7011044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1247 1 1 1 1 1040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107.036 *107.0365* 107.0365@1.0824405 1 1 1 1 1 1162 1 1 1 1 1 1 1 1 1 1 1 1435 1 1 1082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1857 5419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1104 1 1 1 1 1810 1 1 1 1 1 1 1 1 2651 1 1 1 1 1 1 1 1 1 1 1 1 1625 1 1 1 107.0365 *107.0368* 107.0368@0.6904791 1 1 1 1 1 1 2092 1 1234 1 1 2895 1083 1 1 4476 1 1 1 1 1 1 1 1 1 1 1 1 3221 1 1 1968 1 2821 1 1 1 1 1 1 1419 1 1 4749 1 1 1 1 1 1838 1974 1 1 1 1 1 1 1 1 1 7658 1 1 1 1 1 1514 1 3471 1 1 1023 1 1 1 1 1840 1 1 1 1 1 1 1 3299 1 1 1 1 1337 107.0368 *107.037* 107.037@0.6345022 1 1 1 1 1 1 1 1 1 1 1 1429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107.037 *107.0373* 107.0373@1.2791849 1 1802 1 1 1 1431 1945 1 1066 1 1 1 1 1 1 1 1 1326 1 2418 1368 1 1 1 1877 1 1 1109 1 1439 1 1104 1666 1 1027 1 1 1 1 2572 1 2042 1937 1505 1 1 1 1072 3659 1286 1 2647 1 1 1 1 1 2124 1 1115 1 1128 3181 1 1 1091 1936 1 1765 1 1 1 1 1497 1 1 1 1739 1 1382 1118 1 1 1 1 1 1591 1 2559 1 107.0373 *107.0374* 107.0374@0.6936206 1 1 1 3297 1 1 7857 1 2391 1 1 5303 1443 2770 1 1945 1 1 2563 3023 1 1 1 1 1 1 1 1 2240 1 1986 1823 1 2753 1 1 1 2914 2676 1 1526 2788 1 3325 1 1 1 4541 1 4691 2749 2325 1 1 1 1 1101 2792 4008 1 6584 1 1 1 3456 1 1223 1 1406 1020 3328 1428 1 1 1 1 3519 1 1 1 1407 1 4268 1 4197 4718 1 3476 1 1762 107.0374 *107.0375* 107.0375@4.4893117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1008 107.0375 *107.0376* 107.0376@2.1916826 1 1 1 1 1 1 1 1 1183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1328 1 1 1 1 1 1 1 1245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107.0376 *107.0377* 107.0377@1.4592975 1 1 1 1 1 1 1487 1 1 1 1 1 1 1 1 1 1 1 1 1 1865 1 1 1 1 1 2012 1 1 1 1456 1 1 1 1 1 1 1 1 1 1 1 1186 1180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1652 1 1576 1 1 1 1 1 1 1 1 1 1 1 1027 1 1 1 1 1 1400 3144 1 1 107.0377 *107.0377* 107.0377@1.1889746 1 1 1 1 1 1 1948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107.0377 *107.0382* 107.0382@3.4981368 1 1 1728 1 1 2639 1 1 1 1 1 1 1 1 1 1 2118 1846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1922 1 1 1 1 1 2342 1 1 3152 2429 1 1 1 1 1313 1676 1048 1 1 1 1 1 2167 2886 107.0382 *107.0382* 107.0382@2.8345633 1 1 1 1 1 1074 1 1 1 1 1 1 1 1066 1 1 1 1 1235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1689 1 1 1 1 1 1 1 1 1 1 1 107.0382 *108.0206* 108.0206@0.9209931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0206 *108.0214* Quinone 1 1 2054 1 1 1 1 1 2147 2490 1687 1 2365 2283 1 2090 2400 1 2309 2537 1215 2282 1 1 1 1 1 1 2173 1852 2553 1 1892 1896 1918 2329 2164 2304 1 1 1 2059 1 1 2201 2451 2632 1 1886 2303 2290 1 2252 2270 1976 1 1 1 2280 2304 2116 1 1 1 2137 1945 1 1 1956 1346 1895 1542 3133 1 1 1 1774 1 1096 1967 1960 1 2153 2058 1 2126 1025 1 1 2361 HMDB03364 C00472 108.0214 *108.0254* C3 H8 O2 S 1386 1838 2823 2041 2428 3110 5015 1910 1838 1998 3072 1651 1494 1243 1 1 1741 1427 1060 1331 5529 4768 1387 1 1134 1295 2086 7643 1004 1 1609 1737 3845 1614 1 2315 1117 1313 3028 1819 4143 4152 1186 1 1243 1054 3359 4240 1354 1246 1413 1377 3942 3527 2257 2379 4119 5191 1234 1444 1876 1356 1 1 5371 4813 1 1 1636 2494 1675 1678 3483 3378 1516 1929 1154 1 2042 1799 1 2973 2590 3027 1146 1 4647 1395 1143 1 108.0254 *108.0489* 108.0489@3.5950356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3585 3407 108.0489 *108.0668* C6 H8 N2 344508 354347 359650 362660 340502 343968 344221 344386 349118 350217 332770 335925 344606 347933 340820 340615 347549 342487 338298 330950 335570 329923 337266 341160 320750 323683 336510 329696 321197 323439 337873 336117 352402 343281 346221 339639 335704 336824 330257 335896 329899 334324 340879 335155 325220 326004 342388 343204 332580 331919 295223 300442 330535 330301 294678 304693 319482 315329 336169 333280 322276 318249 331617 335398 332245 335262 332254 330679 329753 332524 322076 320369 322149 324069 332707 333698 320825 323877 326165 331391 298971 312614 332144 323585 322731 319026 327118 320525 329160 332652 108.0668 *108.0669* 108.0669@1.1040033 1 1 1 1083 1824 1 1 1 1 1 1307 2357 1279 1 1 1 1 1 1 1 1 1311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1525 1 1518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2146 1669 1036 1 1 1 1 1 1 1 1 1 108.0669 *108.067* 108.067@0.8760111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.067 *108.0676* 108.0676@6.182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0676 *108.0677* 108.0677@6.257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0677 *108.0677* 108.0677@0.66313773 2639 2828 1 1 1 1029 1 1833 1 1 1 1 1 1 1 1 1 1 1 1 1110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1726 1 1 1 1 1 1 1 1 1 1 1 1 1 1464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0677 *108.068* 108.068@6.008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.068 *108.068* 108.068@6.218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.068 *108.0681* 108.0681@6.1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0681 *108.0681* 108.0681@0.72715795 2772 2663 1 1 1 1545 1 2188 2977 1 1 1 1 1 1249 1 1963 2212 1 1900 2049 1 1 1 1698 1 2578 2431 1 2266 1 1 1 1282 1 1 1 1 1579 1 2256 1871 1 1 1 1 1 1 1 1 2103 1 1961 1842 1157 1 1 1 1105 1 1676 1 1208 1 1 1328 1716 1207 1 1 1 1 1 1 1 1 1 1646 1 1 1450 1 1 1190 1 1 1 1 1 2359 108.0681 *108.0855* 108.0855@4.2729654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0855 *108.0929* 108.0929@4.273327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1148 1 1 1 1 1 1 1 1 4016 3682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0929 *109.001* 109.001@0.7772261 65437 65018 65709 67717 57103 61664 63263 64877 64291 63372 59979 62047 60583 61446 63261 62119 63118 60165 59875 60319 63347 64362 69515 71432 61915 60502 64170 62915 65826 66533 64151 66080 65881 65673 68065 71898 70893 71086 70485 65314 62522 62508 66221 67773 65138 71202 66259 64385 71169 71175 65171 66852 70673 68386 61252 64345 65310 65128 74603 71329 67670 67201 54141 63624 47852 68664 64662 66277 69352 64536 65177 67524 67143 63332 66875 65231 67682 70660 65401 62659 62465 64744 71137 71491 67414 70063 61524 63742 58938 59069 109.001 *109.001* 109.001@0.7970052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10083 1 16561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.001 *109.0516* 109.0516@2.347159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1580 1 1 1 1 1 1 1 109.0516 *109.0521* 109.0521@2.5307662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1286 1 1 1 1 1 1 1218 1 1 1 1 1 1 1 1 1 1 1532 1 1 1 1 1402 1 1 1 1 1 1 1 1 1 1 1 1264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.0521 *109.0523* 109.0523@3.5881066 1 1 1 1 52762 51216 18452 19039 1 1 1 1 30864 34730 1 1 82543 85242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5175 8960 1 1 1 2398 1 1 1 1 45180 43171 1 1 1 1 1 1 1 1 40488 43236 1 1 1 1 1 1 1 1 1 1 175986 172427 109.0523 *109.0523* 109.0523@2.9434097 1 1 1 1 1 1 1 1220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2217 1 109.0523 *109.0525* 109.0525@0.70961344 2116 3564 1 1 1 1 1466 1581 2236 1 1 3303 4328 1 3809 1 1686 1 1 1 1657 1623 1 1 1 2087 1971 3594 2347 1 1 3125 1 4561 1 1 4183 2617 2057 1 1 4163 1 2486 1 4216 4002 1724 4554 1 1 5519 1 1 1 1617 1 5861 1 1 1 1 1 3327 1 1 1 3738 1 1 2869 1 6525 1 1 2239 3647 1 6885 1 1 1451 3748 2395 1 6660 1 1 2601 1 109.0525 *109.0526* 109.0526@1.8208755 1 1 1 1 1 1 1 1 1 1426 1 1155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1012 1 1 1149 1 1 1 1 1 1 1 1 1 1 1 1 1165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2015 1 1 1351 1 1 1 1 1 1157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.0526 *109.0527* 109.0527@6.005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.0527 *109.0527* 109.0527@6.501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.0527 *109.0527* 109.0527@1.5555209 1 1 1 1 1127 1 1 1 1 1006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1200 1 1 2316 1207 1042 1 1 1 2716 1 1 1 1 1 1 1 1 1814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1414 1 1303 1 1 1 1 1 1 1 1 1 1 1 1 1831 2137 1 1 1 1 1 1 1 1 1 1 1 109.0527 *109.0528* 109.0528@6.118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.0528 *109.0528* 109.0528@0.6387381 2780 1 1 1 1 1 1 1 1 1 1 1 3515 1 3307 1 2645 1 1 1 3061 3998 1 1 1 4961 6628 1 3765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1432 1983 1 1 1 1 5030 1 1 1 4944 1 5330 1 1 1 1 1 4709 1 1 1 4949 1 1 4768 1 1 1 1 1 1689 1 1 1 1 1 4885 1 1 1 1 1 1 1 109.0528 *109.053* o-Hydroxyaniline 1 1 1215 1 2436 1 3341 2220 1 1217 7559 4129 5473 4779 1563 1 1 1 2837 3119 1 1 1 1 1348 1 1 1 1 1 1 1 4609 2665 3390 2646 1 1 5049 4337 3991 1 1 1 1640 1933 2118 1 2895 1 1 1 4180 3409 1 1304 1 1156 1 2291 3583 3779 1101 1588 6395 5663 2379 2300 6158 5487 3837 3473 1 1 3278 2348 4824 5525 1 4792 2249 2998 1 1684 2888 3954 3689 5273 1 1 109.053 *109.053* 109.053@0.6706669 1967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2244 1 1 1 1 1 1 1 1 1 1 1 1 1 109.053 *109.053* 109.053@1.3977516 1 1 1 1 1 1 1 1 1 1224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1150 1 1 1794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.053 *109.0543* 109.0543@3.2260315 1 2575 2087 1969 2092 2335 2133 2455 1 2209 1 1 1 2581 1837 1 1 1 2473 2740 2517 1 1 2500 2807 2631 2874 1 3266 1 1 2805 2132 2062 1 1 3418 2446 2293 2213 1 2041 1 2472 2385 1 1 2096 2993 1 1 1 1 1 1 2590 2179 1 1 1 1 1774 1 2412 1 2017 2232 2943 2287 1 1 1 1 4431 2031 2274 1803 1 1 2587 1 1 2164 1597 1921 1 2264 1 2408 2747 109.0543 *109.0551* 109.0551@1.216689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1607 1 1 1 1 1 1 1 1 1 1769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.0551 *109.058* 109.058@1.0503578 2116 1 2795 2872 1626 2194 1056 2313 1 2143 3619 2974 1 3658 3437 2549 1 1 1 1 3536 2172 3303 3336 2700 1 1 1 3559 3541 1 3382 3220 3278 3931 2540 8447 6145 3990 4008 4896 1 3536 2088 1 6764 3970 5742 3686 4440 3088 1 6109 5481 1 2055 2989 4024 5614 5871 4088 4225 5371 3556 1 3005 1353 1 4514 3881 3054 1487 3163 1743 3313 3921 3954 4300 6621 1 5439 5619 3533 4370 2487 1 2989 3131 5042 3931 109.058 *109.0584* 109.0584@4.21331 1 1 1 1 1 1 1 1 1 1 1 1 1 2823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2897 2881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.0584 *109.0584* 109.0584@1.2410007 1 1 1 1 1 1 1 1 1 1161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2408 1 1 1 7296 1 1 1 1 1 1 1 1 1 1 1 2297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3045 1 109.0584 *109.0621* 109.0621@4.2188644 1 1 1 1 1 1 1 1 1 1 1 1 2427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.0621 *109.0626* 109.0626@1.1240966 1 1 1 1 1953 1647 1 1 1861 1 1 1 5221 1 1 1000 1 1 1 5865 1 1 1 1 1364 1 1 1 1 1 1 1 1 1 1 1 2945 3180 1 1 1 1 1 1399 1 1 1 1900 1 1 10754 11052 1 1 1 1 1 1 1 1119 1 1343 1515 1 1 1 1 1 1 1 1 1 1 2472 1 1 1 1 1 6737 1 1 2130 1 3322 5245 1 1 1 1 109.0626 *109.0632* C5 H7 N3 4745 4673 4366 4852 5399 4372 5437 4829 4542 4454 3849 4725 6008 5403 4408 3635 6251 1 3369 4194 4928 4934 4230 2572 5078 5856 5323 5019 5299 4964 4669 3428 4887 5026 4581 3486 4116 2535 2963 3442 5552 4581 1 3853 4738 4576 3187 1 2834 3535 5861 5511 4623 3629 1 4475 3496 2993 4771 4631 1 2157 2202 2910 4004 4809 3495 3373 1 1 3669 3411 5231 3380 2536 4064 4062 4613 2387 2524 2503 4945 2608 3467 1 2616 4749 5039 3328 1 109.0632 *109.1414* 109.1414@3.594702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2880 2841 109.1414 *109.9982* 109.9982@1.1887028 1 1 1 1 1 1 8532 1 1 1 1 1 1 1 1 1 1 8783 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1024 1 1 1267 8897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.9982 *109.9988* 109.9988@0.7765149 27550 26981 35321 26352 24386 24770 26768 25557 36600 25885 25148 25313 24627 25430 25348 26942 25524 25321 25288 24921 26235 26646 46018 27116 25470 25544 25570 24862 27505 26402 25893 44622 27760 26043 28867 26640 48960 29191 26861 26035 33959 26007 26851 27071 35900 27499 27386 25391 29122 28667 26400 26039 27810 28160 25273 26950 27022 25897 27865 28309 26858 27044 25668 26070 25492 25299 26480 26813 27428 26580 27280 26421 26071 26243 26822 26181 27136 26411 26842 25966 25053 26056 27829 28809 27163 27398 25434 25133 24172 24766 109.9988 *110.0503* 110.0503@0.93669474 1 1 1 1 1 1 1 1537 1 1 1 1 1 1 1 1 2048 1617 1 1 2528 4403 1 2208 4713 4370 1873 2015 3249 6470 2137 1842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10461 8692 5848 4725 1865 1 3306 1038 3119 3330 1 1 2200 1 2592 2621 1 1538 2007 1631 2555 2635 3392 2332 1 1 1 2354 3853 3223 2451 3051 1715 1943 1 1896 1238 1 1806 1774 110.0503 *110.0534* 110.0534@1.0280067 1 1061 1 1 1 1 1 1 1 1 1 1 1102 1 1751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1398 1 1 1 1 1 2305 1 1 1 1 1 2229 1 1 1 1 1 1 1 1 1 1398 1794 1 1262 1 1 1 1 1437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1322 1 1 110.0534 *110.0546* 110.0546@0.7501406 1 1 1 1 1 1398 1 1 1 1 2171 3025 1 1909 1 1 1232 2125 1 1 2322 1 1 1 1 1417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1947 1 1 1 1 1 1 1 1 1709 1112 1 1 1337 1 1454 1117 4045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1687 1 1 1527 1 1 1 3251 1 1896 1035 1 1 1216 1 1 1 1361 110.0546 *110.056* 110.056@3.040989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.056 *110.0572* 110.0572@0.70580447 1 1 1 1 2115 1 2950 1 1443 1323 1 1415 1 1 1 1 1 1 1 2721 1 1 1 1 1 1 1 1668 1 1 1 1 1 1 1 1 2262 1 1 1 1 1 1 1 1 3234 1 1 1 1 1 1009 1 1 1 1922 1075 1773 2063 1130 1 1 1192 1201 1 1126 2920 2506 1 1 1 1 1 1 1895 1 1 1075 1 1183 1 1 1 1 1 1 1 1284 1 1732 110.0572 *110.0572* 110.0572@1.6075037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0572 *110.0573* 110.0573@4.788223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0573 *110.0574* 110.0574@1.7980161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0574 *110.0578* 110.0578@1.1622963 1 1 1 1 1 1 1 1 1 1 1 1669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2430 1 1 1 1 1 1 1 1880 1 1 1 1 1251 1 1 1 1654 1176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1343 1 1 1 1 1 1 1 1 1 1 1 110.0578 *110.0581* 110.0581@0.6531654 1 1429 1 1 4230 1663 1 1 1 1338 2083 1 1 1244 1 1116 1 1 1 1190 1 1 1570 1 1450 1 1 1850 1 1 1 1 1 1 1566 1 1 1592 1 1 3579 1 1 1 1 1 1 1 1 1 3400 1120 1 1 1 1 1252 1144 1 1217 1454 1 1687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1487 1 1 1 1 1 1 2031 1 1 1554 110.0581 *110.0587* 110.0587@5.4020267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0587 *110.059* 110.059@1.1460145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1309 1 110.059 *110.0598* C4 H6 N4 5904 3324 3409 6001 4030 3535 4437 6109 3384 4595 4994 3829 5320 4079 4070 4125 3205 4214 1 5102 3732 6909 3387 4242 2539 4383 3833 4412 3550 4643 3980 1 5296 4460 3890 6004 3802 3758 5769 4931 5401 5721 5613 1 7075 4729 4045 5388 3862 5603 3002 1 3242 4074 4201 2772 3357 3135 3977 4125 5170 3934 3839 3734 4266 3914 4519 4912 3744 4547 3647 4863 3852 1 4565 5572 4534 4824 5346 4871 1 3595 3891 4107 6758 4267 4218 4389 3580 4683 110.0598 *110.0625* 110.0625@3.0380692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0625 *110.1061* 110.1061@12.439484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1155 1 1 110.1061 *110.9986* 110.9986@0.7768815 15485 14480 18092 14327 11269 11276 14109 14225 15162 13927 17567 13327 11166 11767 11721 14412 14019 13572 13610 14248 11967 14879 15760 15679 14846 13137 14475 14403 10867 14573 14743 13692 15081 15151 16157 15557 16119 12601 13629 14148 14334 14258 11695 11917 15917 14756 14727 15458 12883 12447 14247 15041 16015 14885 13703 14580 18373 11070 13220 15879 16149 14962 15663 14256 18067 11472 14784 12394 12117 14717 21761 15083 15273 14906 20736 18422 14666 12067 11928 14439 11361 14970 15853 15986 16284 14438 13690 13550 13428 14330 110.9986 *111.0295* 111.0295@0.86600953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3248 1 111.0295 *111.0431* Cytosine 14568 14164 15064 13090 14269 13247 13643 12648 14414 15635 14822 15802 19179 18965 19320 21500 11202 13060 16088 14680 13016 14780 8110 10452 14706 14589 12991 13221 11131 10918 19811 18469 16142 15595 15944 15873 14839 14573 16448 15723 17077 16759 20539 19753 13612 14236 12225 12364 14638 15422 20852 22096 16473 17876 12718 13044 16961 17712 9849 11085 14399 14128 12116 11028 14624 14244 13558 15140 16345 17427 15058 16166 17310 15603 16183 16435 18881 19335 18778 20017 11630 11918 18069 18502 16146 16545 17208 15725 11089 11943 HMDB00630 C00380 111.0431 *111.0631* 111.0631@0.77500904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 111.0631 *111.0662* 111.0662@6.028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 111.0662 *111.0662* 111.0662@0.74713117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1119 2143 1 1578 1 2238 1030 1 1 1158 1 1 1 1 1 1194 1 1 1535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 111.0662 *111.0666* 111.0666@0.62400585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1267 1 1179 1191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 111.0666 *111.0673* 111.0673@0.67100745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 111.0673 *111.0676* 111.0676@3.3666494 1 1 1 1065 1 1 1 1 1 1 1 1162 1 1 2131 1711 1 1 1042 1022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1400 1080 1 1 1 1 1 2431 1623 1653 1 1 1 1 1 1 1 1 1 1 1 1 111.0676 *111.0676* 111.0676@3.7928946 1 1 1 1 1 1 2697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1353 1 1322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1774 1 1 1 1 1 1 1 111.0676 *111.0678* 111.0678@3.706904 1 1 1955 2731 1 1 11492 9976 1 1 10792 12020 1028 1282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3744 4741 1 1 1 1 1 1 1 1 1 1 1 1 1458 1880 6516 6930 1 1 1 1 1 1 1 1 1 1 3676 3435 1 1 1 1 4672 4266 4316 4951 1 1 3909 6213 1 1 1 1 1 1 1 1 1624 1 1 1 1120 1584 1 1 111.0678 *111.0703* 111.0703@1.1275268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1419 1 1 1 1 1 1 1 1 1 1 111.0703 *111.0864* 111.0864@1.0400326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1220 1 1 1 1 1 1 1 1 111.0864 *111.0986* 111.0986@3.9869654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 111.0986 *111.1025* 111.1025@3.9837673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1401 1573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1409 1232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 111.1025 *111.9957* 111.9957@0.7764595 1 1 1 1 6018 2869 1 1 1 1 1 1 2516 5985 2626 1 1 1 1 1 2940 1 1 1 2836 1 1 1 3234 1 1 1 1 1 1 1 1 3163 1 1 2696 1 2842 3054 2742 1 1 1 2852 3234 1 1 1 1 1 1 1 2826 3027 1 1 1 2712 1 1 2702 1 2853 3129 1 1 1 1 1 1 1 1 2925 2569 1 2868 1 1 1 1 1 1 1 1 1 111.9957 *112.0133* 112.0133@1.383011 1 1 1 1 1 6807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1741 1 1 1 1 1 1 1 1 1 1 3438 1 1 1 1 1 1 5062 1 1 7463 1 1 1 1 1 1 1 1 1623 2320 1 1 1 4157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5621 1 1604 1312 1 1 1 1 1922 1557 112.0133 *112.0135* 112.0135@1.3027658 1 1 5796 1 1 1 5611 5644 11148 11109 1513 1 1 1 1 1116 1 5613 5517 5464 1 1 1 1 1 1 1 6082 1 1 1 1 1 5859 3045 12467 1 1 10807 1611 7873 7090 5456 13561 1 6539 1 1608 4079 1816 1 1 1 1 1 13234 1101 1 1 1 1 1 1718 1 1 1 1 1 1 1 2841 1 1 1 7524 1 7167 1 2565 1 2373 1 1 1 1 1 1 1 1081 21367 112.0135 *112.015* 2-Furoic acid 1 1 5112 5785 4483 6528 8163 6434 2395 1493 1934 1856 2199 6829 5960 4188 50861 5334 5651 5639 9173 6472 7352 1 5511 4277 1621 2009 5094 7998 4765 5943 78492 2516 5093 5775 1 8786 1750 1477 1720 4962 5873 2915 3832 5225 1855 1132 1452 2102 5773 5045 9327 6289 7438 7168 3760 10732 10259 8090 1 5507 5201 5817 6573 6686 5846 5319 5112 5166 77119 76704 5805 5367 5496 5356 4259 4909 3690 2310 85193 5338 7141 7354 4965 4393 6258 6080 6728 1 HMDB00617 C01546 112.015 *112.0157* 112.0157@1.1777922 1 1 1 1 1 1 1 1 1 1 1 1 1 1482 1 1 6924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5887 1 1 1 1 1 1 5559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6355 1 1 1 1 1 1 1 1 1 1 112.0157 *112.0311* 112.0311@1.9585432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1887 1 1 1 1 1 1 1 2442 1359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1884 1 1 1774 2033 1 1 1 1 1 1 1 1 1 1 112.0311 *112.0538* 112.0538@8.554552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1586 1549 112.0538 *112.0538* 112.0538@0.68200904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.0538 *112.054* 112.054@4.08384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.054 *112.0545* 112.0545@8.632847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1553 1 1 1684 1526 112.0545 *112.0564* 112.0564@3.6952124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1180 1 1 1 1 1 1 1 1 1 1 112.0564 *112.0599* 112.0599@6.008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.0599 *112.0612* 112.0612@3.2363548 11202 11325 11576 12039 11620 10951 10830 11134 11200 11853 10905 10717 11212 12850 11500 12558 10981 11817 11354 14196 11503 8825 10251 11427 10619 10813 10890 10539 11186 11400 11531 12996 12398 12451 10808 14054 10652 12719 12014 15393 10102 10775 10939 10129 11291 10506 12017 10427 9959 11711 10459 10901 9988 10781 9295 9841 10604 9739 10188 9692 10949 10239 11582 9977 10525 10726 12152 13115 11207 9698 13213 9857 10854 10317 11170 13960 10332 9788 10124 10015 10239 10036 10962 10535 10335 14107 10290 10685 11160 14626 112.0612 *112.0619* 112.0619@3.1001155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1729 2092 1 1 1 1 1 1 1 1 1 1 112.0619 *112.074* 112.074@1.1972728 1 1 1 1 1717 1041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2204 2470 1 1 1 1 1 1 1 1 2324 2124 1 1 1 1 1 1 3421 2753 2568 3019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.074 *112.0853* 112.0853@5.3055477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.0853 *112.0879* 112.0879@4.9294796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1706 1921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.0879 *112.0996* 112.0996@0.8849856 1 1 6185 5888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.0996 *112.1245* C8 H16 3630 3211 2980 2770 2362 2313 2816 2997 2340 2117 3066 2798 2990 2860 3182 3832 2626 3000 3122 3144 4519 5421 3965 3854 4823 4141 3122 3152 4213 4159 3682 3940 3352 3032 3974 4137 9944 2689 2984 2383 2070 2417 2928 3100 2684 2517 1862 2145 2144 2209 3560 3115 4000 3962 2476 3229 2604 2746 2525 2791 2368 2523 1605 2010 2054 2083 1970 1887 2648 2348 1745 1651 2472 1770 2421 2690 1763 1863 2151 1714 2275 1734 1 1987 1766 2285 1973 2303 2840 2442 112.1245 *113.0508* 113.0508@3.4271832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12522 13044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0508 *113.0542* 113.0542@3.4397285 7034 5676 1 1 1 1 1 2081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4872 5424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0542 *113.0564* 113.0564@1.6887327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2026 1 2012 1 1 1 1 1 1 1 3035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2006 1 1 1 1 113.0564 *113.0564* 113.0564@1.7769663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1926 1 1 1 1 1 1 1 2631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0564 *113.0573* 113.0573@1.685756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3416 2447 1 1636 1 1 9595 1 1 1 1 4107 1 1 1 1 1 1 4002 1 1 1 1 1 1 1 1 1 1 4335 1 1 4581 1 1 1 1 1 1 1 1 1 1 5823 1 1 1 1 1 1 1 1 1 1 3621 1 1 1 3488 113.0573 *113.0574* 113.0574@1.584638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2573 1 1688 1 1 1 1 1 1 1 4100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0574 *113.0578* 113.0578@2.0650394 1 1 2781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2067 2008 1 1 1 1 1 3761 1 1 1 1 1 1 1 1 1 1 1 11882 1 1 1 1 1 1 1 1 1 1 1 1 1 3720 1 1 1 1 1 1 1 1 113.0578 *113.0578* 113.0578@0.6895062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5103 1 1 1 1 3240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8181 1 1 1 1 1 1 1850 1 1 1 1 1 113.0578 *113.0586* 113.0586@1.2070928 1 12292 1 17261 1 1 1 118437 1 1 1 1 1 16751 1 15008 1 1 1 1 1 1 22461 1 15560 21649 37520 1 17290 25155 1 16528 16239 1 1 18804 1 1 1 1 1 1 1 22817 1 1 1 1 8790 1 1 1 1 1 1 18427 1 1 1 1 1 1 1 18053 1 1 90547 235018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16976 22588 1 1 1 1 113.0586 *113.0588* 113.0588@0.7111661 1 1 1 1 1 5016 1 1 1 1 1 3009 1 1 1 1 1 1 1 1 1 1 4099 1 4074 1 1 5758 1 1 9673 1 1 1 2467 1 1 3032 4590 1 1 10349 1 4903 7742 1 1 4454 1 1 1 1392 3092 4719 1 1 1 1 1 6330 1 1 1 1 6401 4604 1 1 1 1 1 1 6071 2181 1 1 1 6045 1 1 1 1 1 2872 3888 1 1 1 1 7725 113.0588 *113.0589* 113.0589@0.66622585 1 1 1 1 1 2062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4829 1 1 1 1 1825 1 1 1 1 1 1 1 5624 1 1 1 1 1 1 1 1 1 1 1 1 3668 1 1 1 1 1 1 1 2437 1 1 1 1 2274 1 1 1 1 1 1 2619 1 1 1 1 1 113.0589 *113.059* 113.059@2.5149884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.059 *113.0594* Creatinine 6114492 6191753 6306629 6274943 4345566 4380942 5925668 5833877 5941850 5871424 6254726 6237504 5977505 5977270 5982395 5994996 6118008 6110561 6664759 7045101 5916615 5672954 5999414 6668883 5012553 5034160 5548785 5604735 5602864 5601921 6124297 6112229 6039564 6068438 6237831 6226644 7874836 7866093 6891251 6951942 6206460 6392064 6032502 5903630 5959553 6089130 6402050 6378883 5928497 5983376 5992424 6052724 6762016 6721277 4981571 5296569 5300234 5340224 7440874 7523773 7055814 7177265 7080326 7006624 5597012 5563677 6396498 5717170 6543291 6522999 7522321 7458800 5052506 5048235 5537420 5495482 6693680 6737375 5812400 5759042 6853279 6837532 6088866 6142712 7073976 7104577 5458533 5482723 7047757 7019537 HMDB00562 C00791 113.0594 *113.0594* 113.0594@1.251524 1 1 1 1 1 1 1 1 1 11603 1 25554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0594 *113.0604* 113.0604@2.4555566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3209 1 1 1 1 1 1 1 1 1 1 1 3243 1 1 1 1 1 1 1 1 2376 1 1 1 1 1 1 1 1 1 2910 1 1 1 1 1 1 1 1 1 1 1 2511 1 1 1 1 1 1 1 1 3750 1 1 1 1 1 1 1 1 1 1 113.0604 *113.0605* 113.0605@2.8306618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2813 1 1 1 1 1 1 1928 1 1 1 1 1 1 1 1 1 1 2083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0605 *113.0615* 113.0615@1.3849931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1215 1 1 1 1 1 1 1 2971 1 1 1 1 1 1 1 1 1 1 1 1 1 7616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0615 *113.0622* 113.0622@4.848884 1 1 3909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0622 *113.0631* 113.0631@4.0738406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0631 *113.0641* 113.0641@1.8589501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0641 *113.0649* 113.0649@4.04837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0649 *113.0677* 113.0677@4.904883 1 1 1794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0677 *113.0718* 113.0718@4.095601 1 1 2748 1 6240 1 1 1 1 1 1 1 1 1 1 2852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2373 1 1 1 1 1 1 2622 1 1 1 1 1 5519 1 1 1 1 1 1 1 1 1 1 2543 1 1 1 1 1 1 1 1 1 113.0718 *113.0732* 113.0732@0.7000094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0732 *113.0749* 113.0749@3.5010476 1 1 2066 1 3802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2728 1 1 1 1 1 1 1 1 1 1 1 1 2402 2599 113.0749 *113.075* 113.075@3.9832401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4985 1 1 1 1 1 1 1 1 1 1 1 1 1 113.075 *113.077* 113.077@4.1011195 1 1 1 1 1 1 1 1 1 1 1 10772 1 1 4439 3680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7672 1 1 2587 1 1 2831 1 1 1 1 1 7454 4746 1 1 3413 1 1 1 1 1 1 7169 1 1 1 4087 1 6879 1 12086 3723 1 1 1 3832 1 9033 1 6716 1 1 1 11372 1 7239 1 1 1 2562 1 1 1 4472 6508 1 1 113.077 *113.0778* 113.0778@4.0376306 1 1 12166 21536 7465 6496 3354 9537 1 15663 5679 1 1 5111 1 3796 2920 1 1 1 11569 18439 5310 6171 1 1 7677 1 8888 5370 1 1 1 1 1 1 34874 33434 1 1 1 1 1 6444 1 3903 1 1 1 2446 7753 5562 17385 15205 2326 1 13408 13794 5613 1 1 7890 3906 5821 6547 4354 1 10231 1 6243 1 2213 7580 10032 13066 10789 1 1 5392 7752 1 1 1 7572 1 1 1 1 8344 1 113.0778 *113.0781* 113.0781@3.5097287 1 1 1 1 1 2362 1 1 1 1 1 1 1 1 1 1 4219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0781 *113.0828* 113.0828@4.0965695 1 1 1 1 7139 1 9151 1 1 1 1 1 1 4769 1 1 1 1 1 1 1 1 13120 1 1 1 1 1 1 14791 35116 33662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31112 22582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39500 39937 1 1 1 1 1 1 1 1 113.0828 *113.0837* epsilon-Caprolactam 362748 385178 362322 354621 227981 230879 286770 303665 312634 303633 250907 272219 337746 336226 294020 287927 289511 292975 318900 313180 391254 394676 316555 332264 337763 341940 393262 400778 210201 382531 232381 230875 244090 236060 192568 209903 49428 56898 191438 216879 41503 199921 222973 224063 31476 212284 18966 38643 31154 46028 45493 42075 51265 46443 186121 52067 41655 28231 25896 41559 258319 266127 258439 257110 283679 268822 240586 239811 276033 277055 219279 213553 228359 224967 258753 246183 248076 248964 277486 260544 233631 233082 237550 247662 222819 235681 236029 226648 251059 246095 113.0837 *113.1483* 113.1483@1.0797323 1 1 1 1 1 1 1 1 1 1 1 1 1 1951 1 1 1 1549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1677 1 1 1 1 1 1 2501 1 1 1 1 1 1 1 1 1 2711 1 1 1 1 1136 1 1 1 1 1404 1 1 1 1133 1 1 1060 1 1 6261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3053 113.1483 *113.9085* 113.9085@0.9760173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3333 1 1 1 1 1 1 1 1 1 1 1 1 1 1940 1 1 1 1 1 1 1 1 1 113.9085 *113.9147* 113.9147@0.97268087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2607 113.9147 *113.917* 113.917@0.9734893 1 1 1 1 1 1 1 1 1 2675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.917 *113.9238* 113.9238@0.9676507 1 1 1 1 1 1 1554 1 1 1 1 1 2670 1 1 1 1 1 1 1 1 1 1 3247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9238 *113.9326* 113.9326@0.97400266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1865 1 1 1 1 1 1 1 1 1 1 1 1232 2460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9326 *113.942* 113.942@0.9693255 2943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3908 1 113.942 *113.9486* 113.9486@0.9843671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1198 1 1 1 1 1 1 1 1 1 1 1 1520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1163 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9486 *113.9556* 113.9556@0.9673314 1 1 1 1 1 1 1 1 2948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1362 1620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9556 *113.9626* 113.9626@0.97401315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2390 1 1 3145 1010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3214 2213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1731 1 1106 1 1 2629 113.9626 *113.9733* 113.9733@0.96951973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1743 1 1 1 1 1 1 2939 1 1 1 1 1 1 113.9733 *113.9782* 113.9782@0.9729929 1 1 1 1 1 1 2214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2508 1 113.9782 *113.981* 113.981@0.7767767 3697 3670 3708 3715 3277 4491 7153 4150 3305 3654 5605 3598 3374 3174 6141 4154 1 3633 3329 6322 3147 3304 3874 1 3455 3415 3631 3729 6537 3532 5043 3433 4404 3976 5570 4649 5188 3552 3406 3518 3525 4747 3521 3826 3475 4295 5920 3443 4247 4307 3570 4836 4101 3802 5256 4417 4638 4112 5483 4815 4084 3578 4071 4237 3480 3079 4738 3484 3653 4937 3527 3537 3670 3199 3799 4658 4317 4782 3333 3734 3643 3541 4866 3872 3752 3874 5356 3187 3454 4480 113.981 *113.9833* 113.9833@0.87225795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3503 1 1 1 1 1 1 4878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2138 1 1 1 1 1 1508 1 1 1 1 1 1 1 1 113.9833 *113.9892* 113.9892@0.9770068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9892 *113.9961* 113.9961@0.9740141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9961 *114.0129* 114.0129@0.7756517 1 1 1 1441 1568 1 1 1 1411 1 1 1 1 1629 1 1 1 1 1431 1 1777 1 1593 1 1796 1125 1 1930 1642 1 1 1651 1459 1 2100 1 1850 1 1 1 1561 1 1842 2050 1 1723 1370 1594 1 1865 1 2058 1765 2356 1457 1799 2047 1828 1 1623 1548 1534 1 1390 1112 1464 1704 1333 1 1 1508 1 1294 1301 1 1031 1039 1 1763 1 1 1533 1 1 1616 1 1 2125 1601 1491 114.0129 *114.0172* 114.0172@0.7800152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2243 1 1 1791 1 1 1 114.0172 *114.0251* 114.0251@0.79301906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1124 1538 1 1 1 1 1 1 1 1 1 114.0251 *114.0302* 114.0302@2.5401502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1227 1 1 1 1 1 1 1 1 1 1 1 114.0302 *114.0313* 114.0313@0.894029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1204 1 1 1 1 1 1 1 1 1 1 1 114.0313 *114.0316* 3-oxo-4-pentenoic acid 3535 2989 3261 2902 2917 3338 4408 3962 1 3313 1 2368 3078 1 2694 2616 3631 2740 1 2207 3689 1 2548 2015 2385 2476 2680 2963 1 1 3042 3096 2472 1878 2555 2457 2314 2852 3066 1981 3338 2721 2831 2941 2911 2110 2532 3625 2184 2237 2452 2286 2132 2821 2720 1 2854 1 3711 2559 2725 2217 1906 2289 2476 3297 2107 2139 1851 2628 2198 2038 3699 3943 3157 1 2713 1915 54363 44826 1 2441 3060 2970 2107 2092 2277 2487 2295 3688 114.0316 *114.0318* 3-oxo-4-pentenoic acid + 2.9779496 6121 6258 9600 10233 111955 117255 14890 14002 5994 6177 7846 8763 7452 7658 6591 6588 4612 5663 9201 8363 4716 4253 2667 2721 6470 6215 10234 10187 4766 4912 6982 7126 10093 9268 4780 4571 8369 8341 5453 6171 10553 10081 6949 6641 9203 9096 70203 69721 12258 12133 5548 5814 12595 13325 7773 7488 13739 12448 5763 6287 19685 19256 7467 6129 25310 24783 33050 33653 7460 7420 6065 6170 9512 9644 9958 10946 6988 8929 5922 5460 8977 9817 9351 8933 4873 3739 7473 6728 11318 10963 114.0318 *114.0324* 114.0324@3.090544 1 1 1 1 1305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1224 1 1 1 1 1 1 1 1 1933 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0324 *114.0334* 114.0334@1.2850488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2775 1 1 1 1 1 1 1 1 1 1 114.0334 *114.0345* 114.0345@1.1720434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6382 1 1 1 1 1 1 1 1 1 1 114.0345 *114.0356* 114.0356@0.9597513 1 1 1 1 1 1 1 1 3983 1 1 1 1 3669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21634 1 1 1 1 1 1 1 1 1 1 114.0356 *114.0454* 114.0454@1.239616 1 3737 1 1 1 1 1 1 4384 1 1 1 3582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6250 1 1 1 1 1 1 1 1 1 1 114.0454 *114.0467* C9 H6 4442 1 3825 4146 3751 3280 1 1 1 3344 3982 4517 1 1 4485 5384 1731 4040 3902 5297 3565 3016 1 4751 3150 3473 1 1 1 1 1 1 5297 4689 1 1 1 1 5256 5388 6237 5529 3747 3885 4908 4196 6166 4432 5495 5241 5813 5542 1 5578 4744 3846 1 1 4680 4860 4271 1 4301 3878 1 1 1 1 1 1 5217 4819 3890 4423 4694 4892 4415 4287 1 1 5397 3902 1 3528 1 1 1 4429 1 1 114.0467 *114.0487* DIALLYL SULFIDE 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4116 1 1 1 5192 4686 3883 3563 1 6964 1 1 4232 5644 5583 4727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4572 1 1 1 4124 4355 1 1 1 4390 1 1 1 6775 3516 4181 3630 3497 1 1 1 1 1 1 1 1 1 1 1230 1 4093 1 4623 5822 4987 1 3741 3110 114.0487 *114.0521* 114.0521@4.5211487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0521 *114.0565* 114.0565@1.168019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1263 1 1 1 1 1 1 1 1 1 114.0565 *114.0572* 114.0572@3.7487743 1 1 1 1 1229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0572 *114.0615* 114.0615@1.1111013 1 4737 1 4289 2953 1 1 1 1769 1 4403 2588 2883 1 3861 5009 1 4773 1 1 1 1 1 1 1 1 2577 4004 1 1712 1 1 1 1 1 1839 1 1 9589 1 1 1 1 1 1 1 1 2042 1 1 1 1 1 1 2202 1 63887 1 7035 2314 5208 3089 1 1 1 1971 1 1 1 1 1 1 1 1 3057 1 1790 1 1 1 1 1767 1 1 1 1 1401 4312 2116 1960 114.0615 *114.0619* 114.0619@3.7431557 2299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1891 1 1 1 1 1 2065 1 1146 1 1 1 1 1 1305 1 1 1 1 1 1 1 1 1 1 1759 1 1 1 1 1 1 1408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1952 1 1 1 1 1 114.0619 *114.0619* 114.0619@1.1680033 1 1 1 1 1 1 1 1 1594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1404 1 1 1 1 1 1 114.0619 *114.062* 114.062@1.5175242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.062 *114.0631* 114.0631@1.1945851 1 1 1 1 1 1329 1 1 1825 1125 1 2485 1 1 1 1 1 3439 1 1 1 1011 1 1 1 1 1 1 1 1 1 1144 1 1 1 1 1 1 1 2252 1 1738 1023 1 1515 1 1 1 1 1 1 1 2257 1450 1 1 1 1 1 2106 4152 1 1 1 1 2661 1 1050 1 1 1 1638 1 1 1 1 1 1 1 1 1 1 1 1 1 1502 1 1 1 1 114.0631 *114.0655* 114.0655@3.718491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1 1 1 1 1 1 1 1 1 1 1 1 1 1699 2072 1 1 1 1 1 1 1241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0655 *114.0662* 114.0662@3.7351563 1 1588 1 1 1 1 1 1641 1 2194 1055 2513 1984 2004 1484 1723 1 1 1899 2095 2768 1 1729 1 1 1243 2188 1 1 1 1 1 1 1187 1172 2240 1 2372 1 1744 1 1683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1600 1063 1 1853 2232 2027 1 1 1875 3064 1 1963 1 1 1 1 1 1 1 1 1 1 1 1 1181 1 1 1 1 1 1 1058 1 1 114.0662 *114.0663* 114.0663@3.951964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0663 *114.0664* 114.0664@1.1569858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0664 *114.0677* 114.0677@4.498464 1 1 1 1 1 1 1 1 1 1 1084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1759 1 1424 1527 1754 1 1 1078 1 1 1 1 1 1317 1 1 1 1 1 1359 1 1 1 1 1 1 1 1463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0677 *114.0732* 114.0732@3.0474539 1 1 1 1 1423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0732 *114.084* 114.084@4.1888423 1 1306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1736 1 1 1 1 1 1017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.084 *114.1222* 114.1222@3.0013292 1 1 1 1 1346 1615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.1222 *114.1521* 114.1521@0.9713133 6715 5922 6745 1 3968 1 6971 1 6731 7614 8613 5132 1 7887 7240 1 1 7871 9345 1 6053 1395 1 7662 5268 1 6326 2279 1 6793 7992 6375 7030 7619 5477 6784 11181 8425 9453 9372 6197 5116 6009 1 7328 1 7799 6653 5910 1 5521 5931 8667 1 1 1 5922 5788 10512 8564 6794 9718 8780 1 5571 1 7165 1 4105 7031 8245 9184 6662 5346 6765 6112 1 1 8094 5990 9359 1 1 5414 1 8715 6258 1 7118 8042 114.1521 *114.1522* 114.1522@0.9659994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.1522 *114.9106* 114.9106@0.9680101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 1 1240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.9106 *114.9177* 114.9177@0.9685065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.9177 *114.9296* 114.9296@0.9719922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.9296 *114.9377* 114.9377@0.9680256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1081 1 1 1 1 1 1 1 1 1 1 1 1 114.9377 *114.9545* 114.9545@0.9659989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.9545 *114.9626* 114.9626@0.96900624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.9626 *115.0561* 115.0561@0.93903303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2267 1 1 1 1 1 1 1 1 1 1 115.0561 *115.0596* 115.0596@1.2447029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4153 3667 1 1 1 1 1 1 1 1 1 1 115.0596 *115.0627* 115.0627@1.4715409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9028 1629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0627 *115.0628* 115.0628@1.8156621 1 1 1 1 1 1 2187 1 1 1 2505 1 1 1478 1 1 1 1 1 1 1269 1 1 1 1 1 1250 1816 1 1 1388 1 1 1 1 1 13538 1 1 1 1 1 1 1 8365 1 1 1 1 1 1 5375 8670 8170 1 1 1 1 1 1 1 1 1 1 1 10674 1 1 1 1 1 3922 1 2861 1 1338 1 1 2918 1 1 1 1 1 1 1 4733 4989 1 1 115.0628 *115.063* 115.063@0.9208277 2618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21919 1 3139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2347 1 1 1 1 1 1 1 1 1 1 1 1 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1464 1 1 1 1 1 115.063 *115.063* 115.063@2.8304307 1 1 3036 1 1 1603 3165 1832 1 1 2383 1951 1108 2008 2575 1239 2326 1 1399 3513 3175 1 2788 1138 2851 1 1 1 1 1 1183 1 1 1532 1 1 1 1446 1 1 1273 1 1 2381 1926 1 1 1 1 1 2620 3641 1405 1 3017 1 1874 1 1 1 1 1 3421 1060 1 1811 1 1 1 1 1 1 1 1 1 1 1 1 1491 1 1 1595 1 1 2762 1 1 1 1 1 115.063 *115.063* Proline + 2.0194335 3693 1 1 1 6125 3638 1 1229 1 1236 1 1 1 1616 1 1 1 1 1 1 1796 1 1 1 1 1 1 1099 1 1529 1011 1 7304 1 1 1 20427 17510 1 1 2488 2930 1 1 19124 20404 1 1 1 1 1 7013 7904 1552 1 1 1 2824 2535 5197 1 4479 1 1849 9894 16284 1808 1 2843 1 8734 5444 6023 4791 8131 10426 2646 1257 1017 1 1 1 1 1 1 1 1 2314 1 1 HMDB00162 C00148 115.063 *115.063* 115.063@1.9050496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4375 1 1 1 1 1 1 1 1 1 1 1 115.063 *115.063* 115.063@2.3894317 6310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.063 *115.0632* Proline + 0.86503255 2264 3079 3262 2828 2249 1 1 2688 2428 2303 1599 1 2657 2525 2185 2396 1925 2606 1 2046 1 1065 1941 2029 2130 1744 1193 1748 1864 1895 2774 2683 2376 2572 1931 2240 1551 1463 1861 2289 2204 2307 2740 1137 1576 1413 1 1 1 1 1078 2081 1382 1 1994 2627 3400 2537 1 2134 1 1613 2185 1 1 2120 1 2334 2628 1 2051 2183 1 1583 1896 1966 1 1 1428 1052 2765 2489 2526 2385 1875 1 1 1195 2043 2057 HMDB00162 C00148 115.0632 *115.0632* Proline + 2.1935194 5007 3316 1 1 6476 1873 1 2076 1 1 1 2493 1 1195 1 1 1 1 1453 1 1214 1 2204 1 1 1 1 3366 2794 1417 1 1 4100 1 3512 1 1 2521 1660 2964 2255 2707 1512 1 1845 1 2442 3676 5371 1 1 1 1 1 1 1 1 1171 7545 2531 1009 1 1086 1 1 1 2325 1 1104 2988 1 1 1 1 33749 21011 1266 1291 5718 7095 1 5506 2059 1 1 1 1 1 1 3487 HMDB00162 C00148 115.0632 *115.0632* 115.0632@2.082579 1840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1187 1 1 1 1 1 1 1 1 1 1 1 1 2244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1450 1 1 3867 1 2555 14260 5118 1960 1 2505 1 1 1 1 1 1 1 1 1 1 1 115.0632 *115.0632* 115.0632@2.7948778 1 1 1 1 1 2583 1518 1 1 1 1 1 1 1059 1 1372 1 1 1740 1 1 1 1 2570 1522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0632 *115.0635* D-Proline 7083 6602 1 4540 8900 7731 7604 7041 4000 4151 6866 6219 4425 1 5252 3538 1 3489 4859 4313 3683 3539 5014 2905 3024 2575 5024 5650 5441 6133 4563 3106 3574 3248 3926 4155 4517 3337 4608 6352 1142 3260 3501 1 3106 4033 4654 7254 5188 4937 2776 2757 1 2274 2246 3271 4447 4099 6105 7732 4185 4369 2928 1 3119 3659 4747 6735 5754 6047 3195 2834 2964 3002 29514 33003 3925 4079 1 1 3439 5183 4595 4178 3678 3378 3589 3306 5920 5293 HMDB03411 115.0635 *115.0635* Proline + 3.5784535 2319 1832 1897 2357 1450 1906 2305 1 2014 3840 1901 1927 2398 2016 2465 2097 1 2654 1815 4181 2626 3539 2453 1946 3566 3070 1 3151 4038 3181 1338 1478 3029 1972 2454 3138 2020 1920 1 1573 3124 1784 2060 1 1 1 2701 1 1435 1672 1456 2583 1731 2120 1422 2889 2556 1999 1 1568 1728 1 3021 1982 1 1 1 1 1778 1924 1 1527 2689 1416 2810 1658 3160 1 1695 1920 1536 3205 2536 1600 2218 2339 1699 2320 2461 1 HMDB00162 C00148 115.0635 *115.0636* 115.0636@0.63928217 3373 1 1 1 1 1 1 1 2279 1 1 1 1 2359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2309 1 1 1 1 1 1 1 1 1 1 1 1 1 2312 1 1 1 1 1 1 1 1 1 1 1 1 1205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1764 1 1 115.0636 *115.0659* 115.0659@1.3841791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1156 1 1 1 1 1 1 1 1 1 1 1 1 1 1301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1093 1 2233 1 1 1 1 1 4436 4062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0659 *115.0933* 115.0933@3.1632247 1425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1268 1 1 1 1 1 1 1 1 1 1 1242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0933 *115.0939* 115.0939@6.018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0939 *115.0941* 115.0941@1.2269819 1 2585 2394 1113 1 1 1 1 1988 1 1 1 1 1956 1 1 1 1471 1 1 1 1647 1 1 1 1 2319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0941 *115.0954* 115.0954@1.2357261 1 1 1005 2231 1 1 1 1 1 1 1 1 1 1 1 1 1125 1 1 1 1396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0954 *115.0955* 115.0955@1.1032805 2510 2288 2719 2382 1370 1539 2415 1 2300 2281 3314 3009 1 1514 2094 2178 3422 3620 2864 1370 1531 1550 1611 1 1680 1370 2770 2709 1 1 1361 1497 1493 1692 2289 2289 2873 3068 3322 3282 2816 2787 1 1410 1 1473 2614 2628 1 2184 1908 2389 2837 2828 2861 2599 1478 1926 2212 1851 4170 4699 2827 3421 2409 2366 3184 3885 2497 1916 3045 2446 2168 2316 1 1 2454 2364 2541 2340 2655 2058 2847 2616 2236 2601 1936 2254 2265 2544 115.0955 *115.0964* 115.0964@5.3089933 1 1 1 1793 1 1 1 1 1 1 1 1 1 1 1 1531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1179 1 1 1 1 1 1 1 1 1 1 1 1 1 1253 1 1 1 1 1 1 1 1 1366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0964 *115.0984* 115.0984@3.1544096 1 1 1 1 1 1 1 1 1 1232 1 1 1 1 1171 1 1004 1 1 1405 1 1 1 1082 1 1 1 1 1645 1583 1 1 1 1 1 1 1 1541 1 1 1 1 1 1100 1 1 1 1 1 1 1 1 1 1 1543 2098 1259 1 2789 2968 3006 3379 5567 5284 1420 1 1147 1 1020 1 1860 1527 1264 1736 1 1 1785 2214 2860 3984 1932 2024 1122 1 2403 2512 1 1 1 1 115.0984 *115.1089* 115.1089@2.9701767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4600 5134 1 1 1 1 1 1 1 1 1 1 115.1089 *115.1102* 115.1102@2.4131281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43444 88036 1 1 1 1 1 1 1 1 1 1 115.1102 *115.1103* 115.1103@2.3561323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46806 1 1 1 1 1 1 1 1 1 1 1 115.1103 *115.9784* 115.9784@0.7778617 1 1 1 1135 1 1 1 1 1 1146 1047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1114 1343 1 1 1 1 1152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1095 1 1 1 1 1 1 1 1 1 1 1 1 1 115.9784 *115.9836* 115.9836@0.8913117 1 1 1 1 1291 1497 1764 1249 1487 1 1 1 1 1 1 1 1 1093 1 1 1353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1712 1 1 1 1 1047 1 1 1 1691 1 1355 1 1 1 1089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 1668 1 1 1 1 1 1 1446 1 1 1 1 1 1 1 1 1322 1 115.9836 *116.0469* 2-Oxovaleric acid 2345 1 2701 2289 2164 2486 2455 3342 2142 1791 1 2242 2636 2397 1 2427 1871 2080 3069 2919 2541 3159 2578 2566 1393 1720 2425 1946 1708 1 2443 2451 1 2147 3060 3585 5055 5059 2734 4613 2444 3920 2126 3833 3123 3161 2753 2705 2095 1 2486 4482 3870 3117 1 2106 3192 2567 3592 3055 4272 3461 3675 4015 2396 1 1 1 3429 2539 1 2947 2621 2260 1 1493 1893 2218 2959 3848 2650 2562 1289 2261 4313 4830 1 2230 4924 3751 116.0469 *116.047* 116.047@2.3181202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19207 30842 1 1 1 1 1 1 1 1 1 1 116.047 *116.0474* 116.0474@2.2671242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9601 1 1 1 1 1 1 1 1 1 1 1 116.0474 *116.0484* 2-Oxovaleric acid + 1.0467923 1185 3348 1 1 1 1 1174 1 1195 1 1 1 1359 1 1 1 1 1 1573 1721 1 1 1941 1449 1 1 1 1 1361 1 1565 1295 3929 1 1117 1298 1 2194 1 1 1760 2056 1652 1 1487 1307 1684 1792 1820 1478 1446 1564 1528 1098 1219 1 1160 1126 2176 2304 1501 1355 1108 1268 1540 1 1 1 1535 1138 1905 1131 1318 1 1 1 1251 1368 1 1731 1102 1508 1387 1397 1819 1105 1 1 1598 1509 116.0484 *116.0524* 116.0524@0.9540109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1940 1 116.0524 *116.0568* 116.0568@1.2320464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2423 2283 1 1 1 1 1 1 1 1 1 1 116.0568 *116.0581* 116.0581@0.96377015 1 1 1 1 2033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1079 1 1 1 1 1 1 1 1 1081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1908 1 1 1 1 1 1 1 1 1 1 1 1 116.0581 *116.0625* 116.0625@5.128709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2984 3535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0625 *116.0626* 116.0626@4.5266595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43499 42610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0626 *116.0826* 116.0826@4.518218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3431 3760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1333 1 1 1 1 1 1 1 1 1155 6078 116.0826 *116.083* 116.083@4.6947193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2968 3351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5293 5928 116.083 *116.0831* 116.0831@4.5501823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6911 1 116.0831 *116.0832* n-Hexanoic Acid + 3.6519935 2725 2939 2551 2274 2138 2062 1667 2221 1780 1362 28387 27971 1909 2254 2576 2894 1409 1862 2405 2189 2452 2552 2660 2550 3495 3248 2873 3657 3154 3165 1523 1 1780 1 2637 3372 3991 4280 2580 2361 1 1 1101 1 1 2125 1 1 1 1 4623 4456 1 1 1 1 1 1 39506 38973 2069 1667 10187 8752 1 1 7630 7555 2991 3516 1 1 1211 1 1520 1 1609 1 2787 2390 2686 2470 1 1668 1965 1649 1 1 6708 7157 C01585 116.0832 *116.0832* 116.0832@4.611226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6104 7597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1972 1 1 1 1 1 1 1 1 9709 10510 116.0832 *116.0833* n-Hexanoic Acid 2155 2225 2254 1556 1741 1841 1806 2121 2273 1713 1692 2188 2268 2541 2133 2114 2042 2259 1918 1520 1738 1 1994 1681 2330 2140 2281 2123 2406 2261 1953 1960 2335 2006 2408 2166 1937 2061 1 1981 1666 1765 1674 1 1985 2012 1863 1908 1631 1696 1852 1861 1908 1731 1574 1677 1953 1754 1959 1800 1566 1689 1 1740 1511 1662 1465 1191 1085 1295 1484 1 1572 1383 1750 1678 1345 1596 2170 2371 1 1464 1482 1425 1 1561 2191 1714 1295 1659 C01585 116.0833 *116.0837* 116.0837@3.5500984 1 1 1 1 1 1 1 1 1 1 1 6495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1353 1713 1 1 1 1 1 1 1 1 1 1 1 1 1117 1 1 1 1 1 1 1 1 1 1 1113 2672 2645 1 1 1656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1849 1813 116.0837 *116.1112* 116.1112@2.375625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6614 4973 1 1 1 1 1 1 1 1 1 1 116.1112 *116.112* 116.112@2.453121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1887 1 1 1 1 1 1 1 1 1 1 116.112 *117.077* 117.077@0.6345723 1 1 1 1 1 1 1 1 1 1 1 4650 1 4261 1 1 1 1 1 5076 1 1 1 1 1 1 4294 1 3862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4697 117.077 *117.077* 117.077@0.7439955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.077 *117.0775* 117.0775@5.662481 1 1 1 5237 1 1 1 4749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.0775 *117.0775* 117.0775@3.8528419 1 1 1 1 1 1 1 1 4938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.0775 *117.0775* 117.0775@9.651806 1 3905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.0775 *117.0785* 117.0785@1.0708818 1 1 5510 6901 5110 1 7812 24433 1 18308 6306 5094 6027 4834 1 1 3809 1 1 7581 9751 1 1 1 20900 1 1 9058 17367 1 1 1 1 1 17550 1 1 24493 1 6242 5405 1 18390 5958 1 8915 8933 4507 1 1 1 1 1 1 11248 1 1 1 1 1 1 1 1 1 1 27567 1 1 1 1 1 1 1 1 59622 1 5586 1 9977 26752 1 1 1 6091 5879 13235 1 1 1 1 117.0785 *117.0785* 117.0785@0.9966643 1 1 1 7786 1 1 120207 1 1 1 1 1 1 1 1 1 13949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15013 1 1 1 13063 1 1 1 1 1 1 1 1 1 1 1 117.0785 *117.0786* Valine + 3.1044893 28919 17660 3664 16144 9464 29897 28022 12970 13330 28902 12198 1 28865 25081 20532 24610 14563 25595 25506 1 33468 28325 1 1 1 25657 21909 23549 27684 1 1 1 17571 1 1 1 17336 1 1 20143 1 1 1 1 1 1 1 20618 1 1 1 18410 15063 1 1 1 1 1 1 1 1 1 9582 1 1 22206 1 24271 1 1 1 1 1 1 1 1 1 1 8646 1 1 1 21302 19959 1 1 23053 1 1 1 C00183 117.0786 *117.0787* 117.0787@1.1263369 1 1 1 5184 1 1 1 1 1 1 1 4782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8870 1 1 1 1 1 1 1 1 1 1 1 117.0787 *117.0788* Valine + 1.1798357 49112 50960 74208 78569 72394 78697 91092 83145 62092 55212 79134 88870 51348 61327 65735 64902 70331 67902 77220 76406 64022 77268 46627 49940 64699 44180 69746 68425 29895 1 67453 44790 44628 41128 53024 53607 45237 31859 44950 60693 62113 63235 54558 77639 57165 56509 96975 98942 49035 45027 50694 54552 53285 57111 37267 52566 37541 34993 16276 21306 63171 55125 43668 17655 64745 55672 24199 33363 72496 77308 1 40140 129668 149074 9908 68575 4473 81359 32157 52478 26188 20503 48775 43607 23083 50182 106211 127804 32310 31103 C00183 117.0788 *117.0789* Valine 414557 417440 415058 415965 197227 194664 181144 288947 471990 448739 489627 369213 389293 391617 488823 488834 410129 432428 530659 520389 279631 274486 257685 261542 339129 369292 388650 397839 222052 237345 313079 228720 391830 391958 271893 296398 513828 491302 528756 535409 569249 568332 432630 446002 318866 321661 258162 255892 319393 314839 236043 292182 305892 305418 316402 327989 404479 303490 382917 273834 524810 525919 339769 331155 385633 294654 230013 227208 397068 395916 401255 385040 295087 299139 310138 319225 496810 498648 1108124 1098848 275615 315329 484250 487177 337007 246193 449233 459830 332825 261445 C00183 117.0789 *117.0791* 117.0791@1.8669999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.0791 *117.0827* 117.0827@1.1760287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37751 1 1 1 1 1 1 1 1 1 1 1 1 1 117.0827 *117.1071* 117.1071@5.915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.1071 *117.1097* 117.1097@1.0684232 1 16317 1 8706 1 1 9300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10266 1 1 1 1 1 17671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9173 1 1 1 29292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.1097 *117.1106* 117.1106@0.9810898 1 1 12795 9329 1 1 1 1 1 1 1 1 1 1 1 8964 1 1 7997 24629 1 1 1 1 1 9726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7042 1 6972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8356 1 9521 1 1 1 1 1 1 1 1 9143 1 1 1 1 1 1 1 117.1106 *117.1117* 117.1117@1.949036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3529 1 1 1 1 117.1117 *117.1126* 117.1126@0.624405 1 32836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8814 1 10956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8004 1 1 1 1 1 1 1 1 1 1 15918 1 1 19490 8401 34309 1 1 1 1 1 1 1 13071 1 17223 1 1 1 1 18797 8141 1 1 1 1 12386 1 1 1 1 1 20110 23189 1 1 1 1 117.1126 *117.1132* 117.1132@0.72394276 1 38141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5332 1 35141 1 28957 1 1 1 1 1 1 27846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10198 1 1 8483 1 1 1 8304 1 1 1 1 1 26959 39892 1 1 1 1 1 1 1 1 7511 1 26662 9679 1 1 1 23603 22572 1 13929 1 1 1 1 1 1 1 117.1132 *117.1138* C6 H15 N O 1 1 30674 1 1 26027 8281 1 1 17615 1 23866 1 1 1 1 11658 1 1 1 1 1 20484 1 1 15235 11248 1 1 1 17488 1 14749 10590 18831 9698 14818 14241 1 1 1 11842 1 1 5645 8782 1 8858 1 14411 17083 7615 25028 11307 1 1 4097 10285 1 1 7494 18884 1 1 11249 11452 1 1 1 7554 1 9157 1 1 1 20725 21883 18956 2975 1 1 1 1 1 5057 1 5285 4434 1 1 117.1138 *117.1138* 117.1138@2.907557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28279 1 1 1 1 1 1 117.1138 *117.114* 117.114@1.1007518 1 26270 1 9199 1 1 1 1 1 1 11478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14925 1 1 1 1 1 8251 203400 8656 1 1 7489 1 1 7112 1 1 1 1 7957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9262 1 1 1 1 1 1 1 1 7116 1 1 117.114 *117.1143* C6 H15 N O + 2.9414182 35841 43499 39101 36516 41426 37578 37328 37398 42753 38025 36347 40054 37396 39088 51250 39892 39899 41153 37709 36319 38914 40377 36223 34854 40730 35916 36877 41442 38528 38237 38350 36197 37532 43733 42620 42200 34675 37466 38003 38487 36297 35361 39069 37312 28689 33930 31040 26379 27345 25969 33998 28264 30660 28040 31630 34164 19653 29622 30845 29494 28137 29391 32244 34484 32066 26811 26290 28171 28583 31461 28748 29612 28608 33617 29218 28660 26203 29721 26146 25713 25994 29101 29892 1 35574 29390 26962 27726 27146 28339 117.1143 *117.1144* 117.1144@1.2158551 1 11633 1 260781 1 190813 343537 1 1 220225 14698 1 1 216147 1 1 1 447217 40425 1 9234 180432 286037 1 9813 88990 1 216969 1 1 1 4968 1 1 1 1 1 1 178521 10963 1 25204 20199 22261 234034 1 92863 129798 6920 249529 1 1 1 1 1 1 13635 1 1 1 1 506238 1 70108 1 10183 1 1 1 7059 7179 1 1 539807 113486 125486 9093 7306 1 6734 1 1 1 14262 1 1 1 7999 1 1 117.1144 *117.1145* 117.1145@1.4849756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.1145 *117.1146* 117.1146@1.3709878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.1146 *117.115* 117.115@14.02429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11986 1 1 1 1 117.115 *117.115* 117.115@14.177338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16401 1 1 1 1 117.115 *117.1151* C6 H15 N O + 1.1916353 175442 206682 249776 11727 155220 11786 11632 370835 192769 11393 691290 679168 216181 12078 260109 289025 434468 8875 132324 196678 182954 11498 11445 235857 760387 225785 215569 11645 691381 686079 509538 503281 312996 298497 310492 349799 633024 606282 11374 179256 228880 9512 343714 343866 9011 246790 7864 9835 257418 11777 786815 749999 747951 743231 692288 685720 607436 607199 685637 702137 485081 6739 1528559 1377345 638135 618804 616938 634282 600836 552851 603796 659325 593042 8941 11285 1 655337 632057 729209 751745 613409 592282 524502 578523 882552 873473 620748 672280 523495 528988 117.1151 *118.0083* C4 H6 O2 S 3485 3546 2691 3117 1062 1209 2061 1740 1 1 1 1 1 1122 1442 1404 4986 5292 1 2264 1706 1887 1175 1 1 1 1 1 1 1 1222 1 1 1148 1 1099 1113 1325 2271 2115 2139 2079 1080 1078 1052 1429 1 1267 1 2045 2720 2319 1 1 1 1 1 1 2096 1359 2700 2537 3176 3247 1508 1390 1541 1784 1449 1472 1738 1728 1 1331 1074 1 1 1 1 1 1 1 1 1 2122 2236 2645 2141 1 1430 118.0083 *118.0102* 118.0102@1.1126801 1 1 1 1 1 1 1 1 1 1 1 1 1031 1 1 1 1 1 2308 1 1 1 1 1014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1064 1 1 1 1 1 1 1 1 1 1 1 1 1006 1 1 1 1 1 1 1 1 1 1 118.0102 *118.0204* 118.0204@1.2445066 1 1 1 1446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1276 1 1 1 1 1 1 1 1 1 1 1 118.0204 *118.0263* 118.0263@1.2465209 3685 3221 1275 1 1 1 4035 3128 5651 5861 4649 4811 6290 6299 1 1 1489 1307 6255 7449 1 1 1 1 1 1 2712 3808 1 1 1 1 8319 8347 1524 1 1 1 7134 5815 4876 5085 4888 2601 8586 7848 4516 3172 2833 2176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.0263 *118.0645* 118.0645@3.2397969 1 1 1 1 1 1118 2228 1939 1 1 1262 1 1 1 1 1 1 1 1 1 1 1 1099 1 1 1 1 1 1 1 1 1 1 1112 1003 1 1 1 1 1 1 1 1 1 1 1375 1 1 1 1 1 1 1 1 1501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2174 2645 1 1 1550 1 1 1048 1 1 1 1 118.0645 *118.0686* 118.0686@3.286525 1 1 1 1 1611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1661 1 1 1 1 1 1 1 1 1394 1 1 1 1 1 1593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.0686 *118.0776* 118.0776@0.9906754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4477 1 1 1 1 1 1170 1 1 1 1 1 1 1 1 1 1 1 1 1 118.0776 *118.0779* 118.0779@4.5271597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140176 143755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.0779 *118.0779* 118.0779@5.128208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19244 19760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.0779 *118.0785* C9 H10 1054 1 1154 1199 1 1 1597 1 1 1 1 1 1 1101 1195 1222 1 1 1306 1094 2457 2315 1 1 1487 1486 2134 1282 1 1 1 1 1482 1 1 1 1 1337 1220 1081 1 1384 1 1 1075 1 1698 1810 1 1 1529 1 1516 1648 1 1120 1 1 1647 1103 1174 1 1144 1 1084 1 1 1092 1092 1 1357 1611 1 1 1019 1 1699 1395 1 1 1553 1292 1 1 1070 1 1 1 1 1285 118.0785 *118.0816* 118.0816@3.1059024 1 1 1 1 1 1 1 1 1 1 1 1 1443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.0816 *118.1073* 118.1073@1.1869899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.1073 *118.1167* 118.1167@1.3029076 1 1 1445 1 1 1 1 1 1 1 1393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49459 1 1 1 1748 1 1 1 1 1 1 1947 1 1 1 1 1 1 1 1 1 7750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2206 1 1 1 1280 1 1 1 1 1071 1 1 1 1 1 1 1 1 1 1 1241 1 1 1 1 1 118.1167 *118.1175* 118.1175@2.9364944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2844 1 1 1 1 1 1 1 1 1 1 1890 1 1 1 1 1098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1708 1 1 1 1 1 1 1 1 1 1 1 1 1896 1 1 1 1 1 1 1 1 1 1 118.1175 *118.118* 118.118@13.551822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1182 1 1 1 3706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1587 1 1 1 1 1 1 1 1156 1 2087 1 1 1 1 1 1 1 1 1 118.118 *118.1183* 118.1183@10.078334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.1183 *118.1184* 118.1184@14.654567 1 1 1 1 1354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2341 1 1 1 1 1 1 1823 1 1297 1 1 1 1 1 1 2225 1 1 1 1 1 1 1 1 1 1 1 1 118.1184 *118.1188* 118.1188@1.3259795 1 1 1 1 1 1 1 1 1 1 2499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.1188 *118.9952* 118.9952@0.84298223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.9952 *119.0481* 119.0481@1.1470418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27295 26390 1 1 1 1 1 1 1 1 1 1 119.0481 *119.0575* 119.0575@1.2332461 1 1 1 1 6598 7065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 119.0575 *119.0581* Homoserine 3249 2691 9496 8634 1861 1829 3224 2825 1899 1975 8409 8429 4030 4588 5148 5099 6601 6506 4364 4489 3652 3737 5150 4832 3255 3544 5953 6515 4889 4376 3612 3148 3698 3819 1906 1447 2183 1668 2706 2905 3452 3634 11646 12185 2683 2723 3998 4310 3814 3282 1206 1351 3025 2853 3197 3329 4716 3875 1514 1260 2964 2896 6101 5902 4371 4333 5952 5877 4474 4541 2916 1923 2259 2564 5426 5802 2449 2834 32213 37627 4281 4111 3491 3450 4067 3983 6823 7788 2248 2285 C00263 119.0581 *119.0585* D-Homoserine 2015 2173 2488 2254 2550 1944 2590 2913 2472 2377 2146 2022 2645 2217 1 1624 2227 2167 3076 3602 2481 2539 3341 1 1 1 2121 1948 1988 2293 3102 3133 2380 2700 2997 2615 4405 4208 3176 2671 3245 2724 1941 2271 2468 2181 3146 2539 2763 3026 2024 2152 3137 3040 1625 1 1340 1463 3413 3022 3193 2931 2450 2704 2162 2096 1674 1171 2549 2802 2912 2536 2110 2158 1980 1960 2844 1975 1655 2480 2554 1810 2554 2873 2995 3569 1853 2193 3604 3331 119.0585 *119.0604* 119.0604@1.6956978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1646 1 1 2365 1 1 1 1 1 1 1 1 1 1057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1694 1 1 1 1 1 1 1 1 1908 1 1 1 1 1 1 1 1 2301 1 119.0604 *119.0616* 119.0616@0.889586 1 1 1 1 6512 6080 1 1 1 1 8110 6119 4635 4368 1 1 1 1 1 1 1 4647 1 1 3878 1 1 1 1 1 5025 7060 1 1 1 1 1 1 1 1 1 1 1 1 5848 1 1 7327 3458 1 2272 1822 5840 4150 1 2911 1 3606 2881 1 1 1 4212 1 4004 1 5594 3854 8723 5824 1 1 5135 3897 1 1 1 1 1 1 1 1936 1 1 4172 6026 5406 1 3764 1 119.0616 *119.0641* 119.0641@0.89241093 3839 4173 1 1 1 1 3424 1 4517 4807 1 1 1 1 4426 6073 5078 5483 1 1 2983 1 1 1 1 1 1 1 1 1 1 1 1 1 4068 4131 1 1 1 1 4645 4873 4142 1 1 3685 1 1 1 7804 1 1 1 1 2969 1 1 1 1 5565 1 1 1 3711 1 1 1 1 1 1 1 1 1 1 3184 1 1 1 1 1 2857 1 1 3959 1 1 1 1 1 3242 119.0641 *119.0684* 119.0684@0.8971542 1 1 2910 8820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12009 3902 1 1 1 1 1 11244 1 2142 1 1 1 1 11367 1 1 1 1 1 4466 4275 1 1 1 2612 1 1 1 1 1 1 1 1533 1 1 1 1 9791 1 1 1 3917 2022 1 1 1 1 1 1 1 1 3435 4418 1 1 1 3433 8067 3747 1 1 1 1 5154 1 1 1 1 1 1 1 119.0684 *119.073* C8 H9 N 70934 1 1 1 57076 58190 1 1 57940 1 1 1 1 70582 71492 1 1 1 65145 1 66770 68212 53827 53880 1 75106 1 1 1 1 2353 1 1318 67634 1 1 52921 1 60541 59391 76783 78825 68108 66201 54778 54758 1 69632 1 1 69268 1 1 87532 54738 57679 1 1 1 59106 1 1 82260 1 1 1 50048 1 1 90136 1 62866 1 92903 1 1 1 1 53394 54098 59588 60617 1 86600 56509 1 1 1 1 63061 119.073 *119.0748* 119.0748@3.0850074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 119.0748 *119.0759* 119.0759@0.9037688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6209 6773 1 1 1 1 1 1 1 1 1 1 119.0759 *120.0436* Purine 1 1 1 753614 1 1 800549 1 1 1 1 1234220 1 1 1 1 1 1 1 1456104 1 1 970557 1 1330251 1 1 1564073 1 571715 1 1 1358118 1 1 1049900 1 1381109 1 1558071 1 1 1 1 581998 1 1 890993 1 1254960 962434 1433705 1 1 1 1201110 1307785 966653 958545 1521078 1295467 1 1 1 1 1 1 1251270 1212144 1 1 1 1 1288702 1 1 540079 1 1271837 1283890 1 1 1 1309198 1313938 1135960 1 1323259 515880 1 HMDB01366 C00465 120.0436 *120.0436* 120.0436@0.7293713 1 1 3015586 2759613 1 1 2118515 1 1 2966573 1 1 1 1 1 1 1 1 1 1 1 3030070 1 1 2731495 1 1 1 1 1 1 1 1 1 1 1903975 1 1 1 1 1 1 1 1 2261424 1 1 1098141 2766548 1 1922352 1 1 1921859 1878195 1 582203 1 1 561520 1 1 1 1 1 1 1 1 1 1 1 1 1929717 1 1 1 531441 1 1 1285024 1 1 1 1 1 518394 1 1 1 1 120.0436 *120.0436* Purine + 0.7625763 1 1508129 1 1 1559502 1476162 1 1768166 1553248 1 1552269 1959678 1577016 1685646 1515952 1114990 1 1 892024 1454540 1397467 1 1845850 1 1 1397720 1471484 1399567 1408965 1458610 1 1372780 1496384 1317799 1482107 1 1469030 1371820 1446823 1290846 1443839 1461083 1418641 1434076 1 1318502 1499276 1384424 1 1477188 1 1348757 1556847 1 1 1504649 945485 1448881 1780243 775398 1264249 1296155 1384887 1 1552533 1442414 1404593 1349709 1436087 1352525 1350016 1144049 1 1346857 1324900 1344682 522650 1458726 1484415 1347779 1260100 1280333 1094822 1354430 1237838 1063212 1092741 1385168 1228575 1 HMDB01366 C00465 120.0436 *120.0436* 120.0436@0.88946116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114653 1 1 1 1 1 1 1 1 111915 1 1 1 1 1 1 86003 82924 1 80672 82461 76863 1 1 96390 1 1 87009 65417 1 1 1 1 1 1 1 1 1 1 1 1 73452 1 1 1 1 1 1 37980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55261 1 1 1 1 120.0436 *120.0436* 120.0436@1.0099947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95477 1 1 1 1 1 1 1 1 1461008 1 1 1 1 1 1 1 75844 1 1 1 1 1 1 1 1 1 68921 1 1 1 1 1 1 1 1 1 1 1 1 1 330021 1 1 1 1 1 1 533151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 443626 1 46673 1 1057233 1 1 120.0436 *120.0436* 120.0436@1.1181835 1 1 1 1421246 1 1 1 1 1864516 1 1 990727 1 1 1 573598 1 1 1 1 1 1 1 1 253024 1 1 1 1 1 1 1 903096 859045 1 1 1 1 1 1 1 1831646 558807 1 1 1 1 1 1 1 1 1 1 1 1 1 473120 1 1 1 1 1 276088 164032 1 1 1 1 1 1 1 1494833 1 1 1 1 1 1 1 1 1 1 1 1 1345234 1 1 263980 1 1286290 120.0436 *120.0436* 120.0436@6.016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 455110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@3.2588255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182938 425943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@14.165252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 75638 1 1 1 1 120.0436 *120.0436* 120.0436@13.023235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@1.2139792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.1347* 120.1347@0.72847927 1 1 1 1 1 1 1 111179 122763 1 1 1 1 1 1 1 1 1 1 1 1 74429 1 57467 1 1 1 1 1 1 1 22001 1 1 1 1 1 105016 1 1 1 30973 1 1 1 1 1 1 1 1 1 62201 26786 1 48511 1 1 1 28365 1 1 1 1 17739 1 1 1 1 1 1 1 49812 1 1 1 1 1 1 1 25408 1 1 26767 1 51173 1 1 1 15910 1 120.1347 *120.1349* 120.1349@0.9842862 1 1 1 1 1 1 40024 3027 1 1 1 34458 1 1 20731 12329 1 1 1 1 1 1 1 24675 1444 1 1 1 1 1 1 7421 23437 1 1 1 1780 2991 1 1 2278 1 1 1 1 1 1 1 1 1 14816 1 1 1 1 2371 5282 1 1 3054 5028 1 1 2853 1 1 1 1 1 10546 1 1 12342 1 2362 1 1 1 1 2042 1 2356 15341 1 1 20207 1 1 1 1 120.1349 *120.1349* 120.1349@6.018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1349 *120.1349* 120.1349@1.4684703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3084 1 1 1 1 1 1 1 2963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1349 *120.135* 120.135@1.1071707 1 26114 1 16591 1 1 17840 1 1 40339 38940 13625 1 1 1 14894 41515 15277 1 36371 28094 1 1 1 11314 24122 1 1 1 1 37223 1 17327 1 18263 1 1 25421 35084 34531 27768 26869 1 32735 1 1 1 15854 1 1 1 1 1 28125 1 1 8508 1 1 1 19176 14241 1 1 1 1 15415 1 18168 1 1 1 1 1 2994 1 1 1 1 1 1 20327 1 21634 22180 8080 1 1 22143 1 120.135 *120.1355* 120.1355@5.913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1355 *120.1355* 120.1355@3.1718972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1355 *120.1357* 120.1357@6.085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1357 *120.1357* 120.1357@1.3175596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5639 1 1 1 1 1 1 5820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1357 *120.1364* 120.1364@1.951036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3572 1 1 1 1 120.1364 *120.1369* 120.1369@5.873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1369 *120.1371* 120.1371@13.571465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1371 *121.0453* 121.0453@6.095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0453 *121.0454* 121.0454@0.73340094 1 1 76957 1 1 1 1 1 1 1 1 1 1 1 1 136211 1 37973 1 1 1 1 1 1 111676 1 1 49552 1 1 1 1 1 1 1 1 1 1 189318 1 1 1 1 1 1 1 132686 1 1 1 1 126058 64227 1 80581 1 35887 1 1 1 1 1 53808 1 1 1 1 1 1 1 1 42551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 92755 89551 121.0454 *121.0455* 121.0455@1.0465529 1 1 1 14722 1 1 1 1 1 1 1 1 1 1 1 65493 1 1 1 1 51203 1 1 34550 4406 1 1 1 45792 30491 1 1 1 1 1 1 1 1 1 52323 1 1 14087 15748 1 36776 45665 1 1 1 1 1 1 6270 1 1 24820 1 1 20604 24038 1 1 1 1 1 1 1 1 1 25806 1 1 1 1 1 1 1 1 28593 1 1 1 1 1 1 1 1 1 1 121.0455 *121.0455* 121.0455@1.1173486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17754 1 1 1 1 1 1 1 1 1 1 121.0455 *121.0455* 121.0455@1.5138916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0455 *121.0458* 121.0458@1.9560362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9041 1 1 1 1 121.0458 *121.0476* 121.0476@3.349985 104651 96974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30678 1 1 1 54966 56439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62010 68260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60880 59567 1 1 1 1 1 1 121.0476 *121.1363* 121.1363@1.86095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.1363 *121.1368* 121.1368@7.2645397 1101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1158 1 1 1 1 1 1 1010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.1368 *121.1369* 121.1369@2.6939235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.1369 *121.1375* 121.1375@5.9012737 1 1 1090 1 1 1 1 1 1 1 1 1094 1 1 1 1 1110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.1375 *121.1377* 121.1377@0.70571965 1 1036 1 1 1 1 1138 1 1 1 1044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1284 1320 1 1 1436 1 1 1 1 1 1 1 1 1330 1 2134 1 1 1 1296 1 1230 1 1 1 1 1 1028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1815 1 1 1 1 1 1 1 1 1 1462 1 1 1 1 1168 121.1377 *121.1379* 121.1379@0.73800945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.1379 *121.1383* 121.1383@2.1723778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1736 1205 1 1 1 1 1 1 1 1 1 1 1 1 1 121.1383 *121.1387* 121.1387@1.1049843 1 1 1 1 1 1 1241 1 1 1 1 1088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.1387 *121.1387* 121.1387@4.7308874 1 1 1173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.1387 *121.1394* 121.1394@1.3645267 1 1 1 1 1 1 1 1 1 1 1 1203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1131 1 1 1 1 1 1 1 1 1 1 121.1394 *121.1396* 121.1396@1.8889817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.1396 *121.1398* 121.1398@7.854145 1059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.1398 *121.141* 121.141@6.4451675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.141 *121.1412* 121.1412@2.7990825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.1412 *121.1417* 121.1417@3.3549466 1887 1059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3216 4139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.1417 *122.0438* 122.0438@8.97602 1 1 2336 2083 1 2298 1 2438 1 1 1 1 1 1 1 1 1 2473 1 2389 1259 2662 2220 1 1 2405 3829 1 1 2206 2956 1787 1 1970 1868 1 2247 1 1 2115 2152 1 1 1 1 1 2343 1834 1 1 1 3064 1 2376 1 1 2004 1 3000 4071 1648 2200 2837 1 2816 1 2359 1636 2094 1 1 2509 2888 1 2910 1 1 1 1840 1 1 3337 1 1 1 1 2569 2133 1 1866 122.0438 *122.0475* 122.0475@1.0603744 1 1 1 1 1 1 1 1 1 7789 1 1 1 1 1 1 6432 1 7477 1 1 1 1 1 1 1 1 1 1140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7119 8605 1 1582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0475 *122.0477* 122.0477@2.1100457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2988 1 1 1 1 1174 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0477 *122.0478* Niacinamide + 1.0467085 7590 7447 7538 7162 5619 6309 6722 8141 7795 1174 6364 1 7032 7704 6541 1 1445 7977 2068 8563 1 6933 7647 8100 6087 7131 5176 4893 1 8470 6353 5590 8793 9072 7115 6948 9301 9787 7253 7823 8331 8537 8591 8971 8070 7265 8468 8192 6479 1188 2690 8102 7674 7489 8011 9115 1 6157 11027 9567 8270 6482 8584 8421 6916 5907 5010 5427 6592 1944 10032 8536 6628 6140 5422 4054 8979 9771 6501 1481 7885 9840 1 8033 8953 9045 3877 2518 8749 8497 HMDB01406 C00153 122.0478 *122.048* 122.048@2.0953524 1 1 1 1 19443 7875 1 1 8777 7588 1 1 1 1 1 1 1 1 1 1 1 1 3490 1 1 1 1 1 1 2833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3554 1 1 1 5285 1699 1 1 1 1 4105 1 1423 1 1 1 1 1 1 1 1 1 1 1 1 1 4008 1206 1 1 1 2570 1920 4125 30813 25272 1 1272 10022 9299 1 1 1 3700 1 1 122.048 *122.048* 122.048@1.7413802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 1 1 1 1 1 1 1 1 1 1156 1 1 1 1 1 1 1674 1 1 1 1 1 1 1 1 1 1 1055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1484 1 1 1 1 1 1114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.048 *122.0482* 122.0482@2.2287965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1801 1 1 1 1274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2802 1 1 122.0482 *122.0486* 122.0486@1.3915104 1 1 1 1 1 1145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1265 1 1 1492 1 1574 1 1 1 2841 1 1 1589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0486 *122.049* Niacinamide 1 1 1 1767 1 1519 1 2517 1 1521 3731 1 1 1438 1 1065 1 1 1 1 1964 3597 1415 1 1 1 3300 1 1743 3567 2106 1 2046 1428 1 1010 1 1706 2055 2499 1 1761 1253 1554 1407 1 1 1 1 1148 1 1 1 1 1 1189 1063 2770 1 1 2759 2318 1 1681 1 1294 1 1 1 1 1 1183 1 1 1110 1 1262 1 1 1 2184 1 1 2226 3263 2027 1040 1134 1 1 HMDB01406 C00153 122.049 *122.0494* 122.0494@3.338984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0494 *122.0497* 122.0497@4.603677 1 1331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0497 *122.0498* 122.0498@9.78 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0498 *122.0499* 122.0499@0.6694465 1 1 1 1 1 1 1 1 1 1 1165 1 1 1 1 1 1 1 1 1 1 2331 1 1 1 1 1189 1 1 1 1 1 1 1 1 1 1 1 1486 1576 1 1033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2015 1 1 1 1273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1201 1 1 122.0499 *122.0598* 122.0598@1.2050022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0598 *122.064* 122.064@1.2035141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.064 *123.0166* C3 H9 N S2 83108 82255 83756 82012 73849 76259 79794 82054 79417 81627 76631 76174 79742 77784 80073 81198 79636 78092 74957 77527 83180 81255 85905 87482 80373 79377 81622 78526 82469 80917 85312 85007 85710 84704 88647 89381 90763 89080 83470 81274 78361 81312 85234 86105 83548 83842 83561 81554 90932 89859 82931 83987 89668 90541 79485 82477 82415 82937 88517 90238 86624 85254 80401 82523 82438 81945 82688 84592 81672 83476 82661 84432 82604 81644 86257 83351 87250 85297 86073 81741 81303 81859 91272 89754 88594 88087 76949 78660 78473 75765 123.0166 *123.0275* 123.0275@0.89500904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0275 *123.0315* 123.0315@1.2329645 1 1 1 1 1 1233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0315 *123.0331* 123.0331@3.8062801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0331 *123.0428* 123.0428@3.693291 1 1 1 1 1 1184 1828 1551 2600 2992 1893 1713 4510 4725 1 1175 1 1 1346 1401 1 1 2374 3584 1 1 1 1 2119 1791 1 1 1674 1384 1162 2292 1 1 1 1 2061 2393 1 1 1 1 1 1 1 1 1 1 3622 3578 1 1 1 1 3182 3557 1 1 1 1 2573 3205 1 1 2318 1 3134 3003 4285 3682 3959 3058 4137 3502 3913 3892 1 1952 1 1 1782 1 2419 2086 1 1 123.0428 *123.0626* 123.0626@3.1219862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0626 *123.0675* 123.0675@3.1403391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1119 1007 1243 1051 1064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0675 *123.074* 123.074@6.009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.074 *123.0741* 123.0741@6.056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0741 *123.0792* C6 H9 N3 2874 3331 4342 5055 8591 7899 5948 5225 2987 2712 8353 8298 4601 4743 3127 1 3776 3799 5961 6098 5981 5726 1 3003 3106 2772 11234 11653 3816 3935 7726 7827 5894 5501 4512 1 2422 2940 5161 6429 3856 3446 4641 4475 2845 2763 3946 6130 7046 6989 4001 4402 4414 4619 3842 3880 4511 4281 3682 3808 5558 5196 5278 5678 5473 5422 14007 12423 4977 5368 4145 3897 3693 3387 4542 5172 2279 2661 2423 2501 3817 3785 3257 3010 6795 5816 8035 9034 3049 3383 123.0792 *123.0793* 123.0793@14.422986 1 1 1 2008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0793 *123.0795* C6 H9 N3 + 14.196117 1 1 1 1087 1 1214 1 1334 2076 1588 1 1 1 1 1 1565 1 1 1 1 1 1 1682 1 1742 1 2487 1927 1 1 1 1580 1074 1164 1 2315 1733 3536 1 3658 1 1 1 3204 1 1 1 1 1078 1269 1 1758 1 1 1 1 1085 1 2505 1 1 2022 1 2442 1 1 1 1 1744 1118 2245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2654 1 1 1 1 123.0795 *123.0795* 123.0795@14.005058 1 1 1 1524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0795 *123.0796* 123.0796@14.682841 1 1 1 1252 1 1 1 1340 1643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1466 1 1 1 1 1 1077 1281 1 1766 1595 1 3074 1 1 1 1 1 1679 1 1 1 1 1 1 1 1 1 1 1 1 1301 1 1415 1 1 1 1 1656 1 1 1 1 1 1 2093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1314 1 1 1 1 123.0796 *123.0797* 123.0797@13.00647 1 1 1 1 1 1 1 1323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0797 *123.0907* 123.0907@5.918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0907 *123.1111* 123.1111@0.776341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1317 1 1 1 1 1 1 1 1 1224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1095 1 1 1 1 1 1 1 1149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1205 1 1 1 1 1 1 1087 1 1 1 1 1 1 1 123.1111 *123.9984* 123.9984@3.3920956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2500 2560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.9984 *124.0132* 124.0132@0.9305097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0132 *124.0586* 124.0586@0.74926585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1127 1 1224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0586 *124.0598* 124.0598@3.4754124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2738 3419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0598 *124.0634* 124.0634@6.132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0634 *124.0635* 124.0635@6.005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0635 *124.0636* C6 H8 N2 O 1 1 1 1 1 1 1815 2390 1 1 1 1 1 1 1 1 1 1 1 1 5277 4849 1 1859 1 1410 1 4097 4341 2450 2996 3189 1 1 1 1 1 1 1 1378 1 1 1 1 1 1553 1 1 1 1 6648 8282 2185 1 2770 3165 2535 3867 1 4874 1 1 3552 3051 3467 3071 3627 1 2472 3137 1 2281 1 2799 1 1 1 1 5351 3953 3115 3228 1 1 4036 1 1 1 1 1 124.0636 *124.0638* 124.0638@0.70955956 1448 1 1 1 2759 1 1 1202 1 2260 3392 1421 1 3221 1345 1 1 1 2206 1 2059 1579 1 1 1 2930 1875 1 1933 1 1629 2217 1 1 1235 3133 1 2165 1 2410 1 1 1227 1449 1 2190 1 2805 1 1 1 1 1 1 1 1005 1 1 1036 1544 1 1368 1 1 1 1 1571 1 1 1 1 2696 1629 1 2068 1112 1 1 1 1 1 1 1144 1 1 1 2252 1215 1 1 124.0638 *124.0639* 124.0639@6.058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0639 *124.064* 124.064@0.6720062 1 1 1 1 1 1 1 1 2634 1615 1 1 1 1 1 1 1 1 2044 1 1 1 1 1 1 1 1 1 1 1 1248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.064 *124.0645* 124.0645@3.5476825 1 1 1 1 1339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1051 1 3125 1 1 1 1 1 1 1 1 1 1151 1 1 1 1 1 1 1 1 1 1522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0645 *124.0645* 124.0645@2.3719327 1 1 1 1 1 1 1 1 1 1 1 1 1038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0645 *124.0646* 124.0646@4.7310605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0646 *124.0649* 124.0649@0.6909897 1 1 1 1 1 1 1 1 1 1840 1 1 1 1 1 1 1 1 1182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0649 *124.0659* 124.0659@3.304127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2093 2403 1 1 1 1 1 1 1 1 1 1 1 1 124.0659 *124.0878* 2,4-octadienal 4782 4687 4559 4329 4570 3191 4668 4484 4918 4597 4024 4463 3107 4744 4595 3331 4689 4316 4474 4179 4968 4534 4215 4586 4453 4151 4144 3158 1 3075 3219 4144 4725 4675 5221 4272 4177 3963 4799 5371 3998 4039 4343 3768 4120 3793 4900 5134 3667 4208 3402 4687 4511 4261 4414 4105 4471 3392 4037 4662 4036 3680 3053 4482 1 4518 3864 4301 4967 4267 3090 4451 3978 4361 4220 4420 4156 4072 4179 4149 4041 3912 4295 4253 4342 4014 3668 3900 4189 3536 124.0878 *124.0899* 124.0899@4.4300513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0899 *124.09* 124.09@3.7244062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2076 1 1 1 1 1 1 1 1 1 124.09 *124.0931* 124.0931@14.095284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1632 124.0931 *124.0944* 124.0944@6.051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0944 *124.0945* 124.0945@3.7220445 1765 2595 4639 1831 2068 1 1 1763 4627 1 1359 2186 2566 2681 4496 2853 1 1 3403 3159 1 7071 1 2426 2868 4338 2638 1 1 1 1 2754 1 3893 1552 1658 1 3067 1 3068 1 1 1 2568 1 1 2783 1478 2102 1 1 2465 2571 2288 1878 3507 1298 2928 9154 1 4719 1 1 1941 1061 1 2586 1 2406 1726 1 3026 1756 2419 2542 1 1 1 1 1706 1 1 1 8691 1484 1 1 1 1 3587 124.0945 *124.0949* 124.0949@3.876665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3110 1 1 2232 1 1 1 1 1 1 1 1 1 1 1 1 3361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2158 1 6144 1 1 1 1 1 1 1 1375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2344 1 1 1 1 1 3090 1 1 1 1 1 1 1 124.0949 *124.0949* 124.0949@3.836078 2081 1 1 1 1946 1 1 1 1 1 6464 1 1 1431 1 1 1 1 1290 1 1 1 1 1 1 2661 1 1 1 1 1 1 1 1 2764 1 1 7184 1 1 1 1 1 2689 1 1 1 3585 2335 6331 1 1 1 1 1 1 2790 1 1468 1 1 1 1 5025 1 1 6578 1 5349 1 1 1 1 8726 1 1 1 1 1 1 1 1 3376 1 2092 1 1 1 1 1 124.0949 *124.0954* 124.0954@6.007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0954 *124.096* 124.096@3.8903441 1 6453 1 1 6006 1 5974 1 7786 1 3611 1 8052 1905 5096 5835 4757 5752 4128 6321 9523 1 6366 1 6194 2548 7902 1781 8304 1 1 5375 1 7676 10038 1 1 5127 1 8510 1 1 1 5666 1 1 7260 5785 1585 4912 1 7110 10760 1 1 4528 3138 1 1 1 6688 7509 7972 1 7064 1 1 1 5274 7736 1 9476 10820 1936 6622 11514 5933 1 10514 1 3850 7099 1 1 8416 4894 6466 5343 1831 11637 124.096 *124.0966* 124.0966@3.6214619 1041 1 1 1 1 1 1 1 1 1 2811 2752 1 1 3291 2200 1081 1 1 1 5855 6044 1 1 1 1801 5521 3227 1 1 4424 4589 3246 2651 1 1 1 2915 2586 1 5055 4345 1744 1 2767 1 1 1 3765 3283 2388 3884 2476 1 1 3035 2260 2242 1 1 2938 1 2531 2189 1509 2643 5487 2476 1 1952 1658 4056 1 1 2104 2184 2770 1628 2785 3299 3372 3782 3747 2570 2944 1 2547 2979 1171 2488 124.0966 *124.0977* 124.0977@3.81293 1 1 1 1 1 1 1 1 1 1 6074 1 6666 1 1 1 1 1 2181 1 1 1 4693 1 1 1 1684 1 1 1 1 4790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1606 1 1 1 1913 1668 1 1 1 1 1104 1 1 1 1 1 1 2089 1 1 2180 1 1 1 1 1 1 1 4373 1 1870 1 1399 1 4455 1 1 1292 1 1 1 1864 3395 1 124.0977 *124.9782* C3 H5 Cl2 N 1 1 1 5993 1 1 1 1868 7650 1 5022 1 1 1 3834 1 1 1 1 2284 1 1 1 1 3248 1 1 1 3859 1 12956 13089 1 11142 1 10783 11391 9719 6743 7353 7645 5730 8987 9346 1 8572 4705 1 1 5944 5534 1 1 1 1 1 1 1 6918 7220 1 1 1 4001 11632 9538 3180 6877 12457 11964 4072 9167 6321 7047 7313 10186 10134 9798 9238 7028 1 1 2013 2584 15232 15988 10419 10159 4111 1219 124.9782 *124.9784* 124.9784@1.4749246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.9784 *124.9788* 124.9788@9.612146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1307 1 1 1 1 1 124.9788 *125.0117* C5 H3 N O3 11372 1 11772 11660 10811 1 10575 11622 1 12125 1 1 1 10393 1 1 1 10461 10285 11536 1 10883 11782 12237 11373 10845 11503 1 11205 11844 12713 12439 1 1 12183 1 1 13133 11422 1 10625 11470 1 1 11383 1 1 1 12809 11978 1 11576 1 12080 1 11080 11401 11569 1 1 1 12080 10930 12260 1 12715 10937 11366 12399 1 12297 1 1 11110 12872 1 1 11937 1 10968 1 10885 12369 12284 13266 13402 10711 11777 1 1 125.0117 *125.0125* 125.0125@0.7776232 1 10890 1 1 1 10813 1 1 11208 1 10827 9674 10539 1 11221 10792 9996 1 1 1 11190 1 1 1 1 1 1 10333 1 1 1 1 13285 12789 1 12474 13001 1 1 11706 1 1 11371 12089 1 12066 10372 10957 1 1 11844 1 12321 1 10656 1 1 1 12508 11677 12388 1 1 1 12071 1 1 1 1 11984 1 11785 11787 1 1 11200 11576 1 12632 1 11049 1 1 1 1 1 1 1 10217 10694 125.0125 *125.0467* 125.0467@0.73464227 1 1 1 1908 1 1 1 1 2145 1 1 6011 4547 1 1 1 1 1 1 1 1 2312 1919 1775 1 1 1552 1 1 1 3269 1 1 1 1 1453 1 1 1 1 1 1 1 1 1 1 3323 1659 1 1 1 1 1 4250 1 1 1681 1 1 1 1 1705 1 1 1 1731 1 1 1 1 2073 2277 1 1 1 1 1271 1 1 1 1 1 1 1649 1 1 1473 1 1512 1 125.0467 *125.0475* 125.0475@1.2878956 1 1 1481 1391 1581 1 1806 1098 1176 1 1 2081 1 1521 1 1 1 1 1 1 1472 1 1 1259 1 1 1 3460 1 1 1 1 1 1 1224 1 1 1 1 1 1 1 1972 2384 2382 1215 1 1 1 1 1 1 1 2108 1907 1 1 1 1 1 1 1 1 1 1 1550 2476 3133 1297 1 1 1831 1 2387 1 1 1 1 1 1 2038 1 1314 1 1 1 1 1 1366 1028 125.0475 *125.0475* 125.0475@0.69601554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1286 1 1 1 1 1 1 1 1 1 1 1 1 125.0475 *125.0477* 125.0477@2.9027653 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2326 1 1 1 1 1 1 1 1 1 1 1 125.0477 *125.0481* 125.0481@0.6303054 1 3560 4527 1285 1 2108 1 3473 2372 1 1 1 1 2280 2505 1 1 1 1 1 1 1 1 1 1 3203 1 3457 1 1 1 1 3428 1201 2007 1 1 1 3565 1 1 1661 1 3189 2075 1 1 1 1 1 1 2469 1 2611 1 1323 1541 1 1 1 2902 4608 1 1 1 3233 1 3043 1 1 1 1 1 1 1 1 3780 1343 1 1 3121 1560 3170 1 1 1 2156 1 1903 1491 125.0481 *125.0481* 125.0481@3.3257592 1 1 2362 1480 1 1 3925 1 1 1 1 1 1 1 1 2110 1 1100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2008 1 1 1 1 1915 1 1 1 1 1 1 1 1 1 1 3411 1 1 1 1 1 1 1 2282 1 1 1 1 1 1 1 1 1 2683 1 1 1 125.0481 *125.0481* 125.0481@2.0876586 1 1 1 1 1 1 1 1 1 1 1945 1 1 1 1 1 1 1 1 1 1 1 1 1627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0481 *125.0483* 125.0483@0.6981986 1 4879 1 3843 1 1 1 1 3120 1 1 1 1 1 1 5817 1522 1 1 1 1 1 3490 1 1 3466 1 1787 1 1366 1545 1 1 3340 1 1650 1379 1 1739 1 1 1 1 1 1 1 1 2828 1542 1874 1 2064 1813 1 1 3650 2937 1 1 1 1 2876 1 1 1 1777 1 3312 1 1 3345 1 1 1 1 1 1 1245 1 1 1 1 1533 1 1 4303 3447 1 1146 2789 125.0483 *125.0483* 125.0483@1.7640384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1230 1 1 1 1 1 1 1 1134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1547 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1 1 1 1 1 1 1 1040 1 1 1 1 2312 1 1 1 1 1 1 1 125.0483 *125.0484* 125.0484@2.510152 1 1 1 1 1 1702 1 1209 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1364 1542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1331 1 1 1 1 1 1 1 1 1 1 1 1 125.0484 *125.0485* 125.0485@1.5006808 1 1 1 1 1 1 1 1657 1 1 1 1 1 1 1 1 1 1 1426 1 1 1 1 1 1 1 1 1402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1387 1 1263 1 125.0485 *125.049* 125.049@3.5505846 4074 1 1576 1824 1 1315 1 1 1 1 1 1 1 1 1 1 1 3230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1650 1 125.049 *125.049* 125.049@4.163866 1 1 1 1 1 1 1 1 1 1 1 1 2981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.049 *125.0495* 125.0495@1.1150123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0495 *125.0503* 125.0503@6.081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0503 *125.0509* 125.0509@1.1777322 2957 3258 2552 5870 2000 5013 3290 3029 1 4103 3908 3816 2868 2355 1 4089 4242 2478 4120 1 3044 1 1651 2915 2493 3402 1 5110 3149 3252 4102 2690 1652 1 3503 4931 5305 4869 3477 3444 2126 3048 3257 3918 3693 3447 2144 1934 4074 2524 2462 3206 2453 4380 2972 3098 2520 1 1 4179 4778 3727 3647 3516 3183 3175 2615 4254 4137 2802 3780 2606 1 4267 5073 1 2719 4482 3424 3372 3224 3238 4785 2551 4198 5090 1199 3537 2712 3447 125.0509 *125.0518* 125.0518@1.0636573 1 1 1 1 1 1 1 1 1 1 1773 1 1 2171 1 1 1 3614 1 1 1 1 1 1 1 1 1 3235 1 3050 4884 1 1 1 1 1 1 1 1 1 1 1 2524 1 3593 1 1 2829 1 1 1 1 1 2920 3046 1 1 2787 1 1 1 1 1234 1 1 1 1 1 1 2629 1 1 1 1 1 1 4331 1 1 1 1 1600 1 1 1 1 1 1 1 3358 125.0518 *125.054* 125.054@1.0774063 2572 1 1 4406 1 1 1 1 1 1 1 1 1 1 1 1 1896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2870 3377 3484 2725 3884 1 4391 1 9411 1 1 1 1 1 1 1 2377 1504 1 1 1 1 1 1 1 1 1 1 1 3121 3649 3927 1 1 2132 1974 1263 1 1 3032 1 2933 1 1 1 1 1 1 4778 3517 1 1 3755 1 2917 1 3272 1 125.054 *125.0543* 125.0543@3.6742594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1448 1 1 1 125.0543 *125.0769* 125.0769@3.5437763 1 1 1 1 1 1 1 1 4285 3898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1652 1 1 4107 1 1 1424 1 1 1 1 1 1 1 1 1 1 1 1 1 2815 1 1 3802 1 1 1 1 1 1 1 1 1 4991 3645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0769 *125.0811* 125.0811@4.1153364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6166 1 1 1 1 1 1 1 1 1 1 1 125.0811 *125.0828* C7 H11 N O 4052 4040 2588 2638 3667 3422 6339 7190 7416 7481 8616 10482 7850 7271 3933 3898 3589 4113 6378 2455 1 1440 4444 3397 1 1 3864 5091 11727 4018 2210 3461 5814 6217 7201 5401 4138 5101 5626 6306 6851 6645 1951 2384 2180 1 8064 9064 1 4627 1 1 11383 11884 4705 4194 6529 6921 4800 6240 5613 5739 1 1383 7758 8627 5737 7242 10394 10386 5633 5630 6377 6134 3746 4775 7768 8365 3324 5292 3788 3873 1 3568 7201 5225 5798 4906 4078 4934 125.0828 *125.0828* 125.0828@4.0742846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2460 5834 1 1 1 1 1 1 1 1 1 1 125.0828 *125.0831* C7 H11 N O + 3.615986 24641 23290 19022 17516 12980 13080 10319 10418 1 1 31158 29945 21014 21146 30830 30876 16588 15138 29607 29633 61726 62581 17843 16726 19250 19228 49779 51811 1 11647 40158 39467 33846 35669 19699 18888 24984 26965 25471 26240 44447 43917 26207 27855 26253 27512 23775 22571 35971 37287 37925 36584 24859 23044 29137 30003 28262 28588 1 1 33144 33169 21614 23156 25808 25648 59949 58229 20548 19738 27880 28118 15693 16752 19061 22423 15925 16831 25040 26450 37750 34861 35700 34136 27602 27047 30092 30384 24941 24532 125.0831 *125.0833* 125.0833@3.4250169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0833 *125.0865* 125.0865@3.8820493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0865 *125.0878* 125.0878@3.3445873 1 2127 1 1 1 1 1 1 1 1 1 1590 1 1 1 1 1 1 2210 1 1 1 1 1 3036 1 1 1 2689 1 1 1 1 1 1 2732 1863 1 1 1 1194 1 1 1 1 1 1 1 1462 2904 1 1 2745 1 3072 1 1531 1 1 1 1 1 3981 1 1 3291 1 2035 1 1 1 1 1 1 1 1 2054 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0878 *125.0903* 125.0903@0.8750285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0903 *125.0925* 125.0925@3.3025913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5119 1 1 1 1 1 3012 1 1 1 1 1 1 1 2156 1 1 1 1 4961 1 1 6981 1 1 1 1 1 1 125.0925 *126.0306* 126.0306@2.255774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0306 *126.0314* Hydroxyhydroquinone 23100 25161 21753 21699 33985 32128 33663 32863 24816 26064 21570 23152 21224 23921 20694 19420 23789 23978 20318 17568 28062 25669 22286 21684 23115 24638 20875 21909 22865 21581 27253 25242 18975 15912 25383 25555 20196 22086 19945 21968 23049 21603 23639 23864 21425 20941 27910 29291 22291 20074 22403 22284 23367 23208 20068 20618 22256 23387 23209 22917 20110 21995 4021 17377 22378 23340 19309 18840 19247 16811 21009 21138 32088 30229 19033 22432 17240 21524 25235 23453 16790 19989 21425 22515 19421 11228 17789 17719 26376 27023 126.0314 *126.0322* 126.0322@0.7728868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1093 1 2193 1 1 1 1 1 1 1618 2070 1027 2519 1 1 1 1 2143 1 2597 1 1 1 1 2232 2353 2738 1 2066 4042 1 1 4227 1 2036 1 1 1 1 1 1 1 1 1268 2524 3794 1 1999 1 2201 1 1 2958 2346 2076 1 1 1 1 1 1728 1 1 1 1 1 1 1 1 2216 6201 1 1 1 1 126.0322 *126.0328* 126.0328@2.3061259 1 1 1729 1347 1 1 1 1454 1 1 1 1 2863 1070 14320 4381 1 1 1 1 1 1 1 1 1 1 3267 1 1 1 3005 5161 6822 2701 1 2007 2185 1 1 1 1 1 1590 2473 2560 1887 1297 1 1 1128 1544 1 1 1 2489 1 1 1 1 1 2974 1250 1 1 1060 1 1 1 1 1 1 1 1808 1 2315 1 3738 1 1 1 1 1 1 1 1 1 1244 4510 1 1 126.0328 *126.0329* 126.0329@0.9680053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3569 1 1 1 1 1 1 1 1 2540 1 1 1 1 2029 1 4179 1 1 1 2618 1 1 1 1 1 1 1 1 1 126.0329 *126.0331* 126.0331@0.71799487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0331 *126.0337* 126.0337@2.4530666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2401 1 1 1 1 1 1 1 1847 1 1 1 1 1 1 1 1 1 1 1 1 3222 1 1 1 1 1 1342 2981 1 1 1 1 1 1 1 1212 1 1 1 1 1 1 1 1 1182 1 1 1 1 1 1 2940 1 1 1 1 1 1 1 1 1 1 1 1 1988 1 1 126.0337 *126.0343* 126.0343@1.0340896 1 1 1 1563 1 1 1 1 1 1 1 1 1617 1748 1 1 1 1 1 1 1 2590 1 1 1 1 1 1952 1 2143 1 1 1 1 1101 1 1 1 1 1 1 1 1 1 1 1 1193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1872 1 1 1096 1 1 2934 1 126.0343 *126.0344* 126.0344@3.830288 1698 1750 1 1 1 1845 1 1510 1598 1 1864 1 1 1574 1554 1303 1 2261 2419 1 1 1 2554 1432 1 1 1 1 1363 1320 1 1670 1421 1372 1778 2073 1 2548 2207 1957 1 1432 1 1478 1 2051 2699 2576 1516 1714 2018 1 2766 2098 1861 1388 1 1 2481 2485 2696 3043 2357 1636 1850 1 1 1413 1848 1 1580 1931 1395 1 1 1 2175 2378 2643 2575 2075 1797 1 1 1803 1 1 2402 2670 1819 126.0344 *126.035* 126.035@0.64114237 2119 1 1 1 1 1 1 1991 1 1713 1 1 1 1 1 1953 1837 1080 1 1370 1112 1 1 1 1521 1 1233 1487 1659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4310 1 1 1 1 1 4295 1 1 1 1 1 1 2937 1 1 1 1 1 1 1485 1 1 1 1 1 1 1 1 1 2282 1769 3794 1 1 1 1 5807 1011 126.035 *126.0351* 126.0351@2.7004082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0351 *126.0352* 126.0352@0.6990019 3007 1 1 1 2838 1842 1 1 5449 4058 1 1 1 1 1 1604 1871 1 1 2058 1693 1 1 1 1994 1 1744 1 1759 1 1 1 1 1 1 1 1 2469 2568 1 3032 1 1 1 3635 1 3474 1 2313 1 1 4389 3483 1 1 1 1 1390 1 1 1 1 1 2958 1280 1 1 4187 1 1835 1 2086 1 5007 1 1 1 1 1072 1 1 1972 1693 1 1 1 2087 4424 1 2485 126.0352 *126.0367* 126.0367@0.67993534 1 1 1 1 1 1 1 1250 1 1 1 1 1 1 1 1 1 1774 1 1 1 1 1 1 1 1 1 1 1 1 2803 1162 1 1 1 1 1 1 1 1 1 3321 1607 1 1 1 1 1 1 1635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1037 1 1058 1 1 3196 1 1804 1 1 1887 1 1 1 1469 1 1 126.0367 *126.0385* 126.0385@1.0326157 1 1296 1 1894 1 1 2051 1494 1 1205 1 1441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1750 1 1 1 1 1 1 1 1 1206 1 1 1 1891 1 1 1 1 1 1 1 1500 2181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1134 1 1 1 1 1 126.0385 *126.0398* 126.0398@3.837256 1 1 1 1 1 1 1819 1 1 2099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0398 *126.0423* 126.0423@1.1227835 1 1 1025 1 1 1 4817 4669 1755 2993 3522 1975 1402 1 1 1 3686 3568 2922 2706 1 1 1066 1 1 1 1 1 1 1 1 1 2752 2170 1 1 1 1 1481 2700 1 1 3402 3217 2395 3405 1 1 1594 1 1 1 1 1 1 1 1 1 1 1210 1 1 1018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0423 *126.0424* 126.0424@3.8398755 1 1 1 1 1 1 1 1 1 1 1 1 2407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0424 *126.0448* 126.0448@1.0040064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0448 *126.0565* 126.0565@1.0099876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0565 *126.0627* 126.0627@1.00835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7265 5056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6930 5103 1 1 1 1 3861 3674 1 1 1 1 1 1 1 1 1 1 126.0627 *126.0693* 126.0693@6.007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0693 *126.0769* 126.0769@1.1670209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2450 2204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0769 *126.0934* 126.0934@4.1266356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1567 1043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0934 *126.0934* 126.0934@3.2521107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0934 *127.0118* 127.0118@0.7773171 2472 2377 2047 2032 1751 1 2173 2305 2647 2962 2404 2368 2466 2419 2426 2310 2253 2052 2049 2083 1910 2040 2109 2085 1783 1715 1 1817 1974 1976 1896 1920 1943 1887 1843 1765 2212 1894 1 1532 1366 1610 2234 2116 1547 1821 1518 1405 2267 1726 1643 1856 1863 1 1 1422 1466 1 1528 1773 1546 1536 1771 1567 1644 1588 1917 1927 1 1691 1599 1660 1873 1903 1675 1974 1929 2040 1661 1844 1769 1927 1967 1676 1621 1639 1456 1203 1120 1447 127.0118 *127.0179* 127.0179@0.99001276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0179 *127.0266* 127.0266@0.9099989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0266 *127.0627* 127.0627@1.8249485 1 1 1045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0627 *127.0629* 127.0629@0.74473697 2053 1 1758 2331 1 1 4239 5244 1488 2936 2150 4284 1 1 1801 1 2503 1 1 1 6607 1 1 4313 10830 1 1 1 1 1 2131 1 1 1 1 6020 6166 1 1 1 1 2731 2664 5671 1 2934 1 1 1 1 1 1 1 1 1 1 3699 1 3913 1 1 1 8512 1 1 8440 1 5067 6889 1 1 1 8352 1 1 1 1 1 6704 6807 4965 1998 1 1 5763 10173 1 1 1 1 127.0629 *127.0629* 127.0629@3.0551825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1494 3980 1 1 1 1 1 1 1 1 1 1 127.0629 *127.063* 127.063@0.6911572 1 7384 1 4934 1 1 1 5322 1 6691 2335 1 1 1 1 1 6288 1 1 1 1 5307 1 3365 1 1 11869 1 1 8903 4794 1 1 1 6573 1 1 1 1 1 1 8150 4938 1 1 5016 1 1 1 1 8800 1 1 14165 1 6469 2888 1 1 1 1 1 1 11321 1 1 9299 7813 1 7944 1 1 1 1 1 1 1 1 4408 1 1 6045 1 1 1 1 8472 1 1 1 127.063 *127.0632* 127.0632@1.6563671 1 1188 1498 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 2170 1 1 1 1 1 1 1 1314 1 1 1503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1261 1 1 2042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0632 *127.0633* 127.0633@0.6363362 4592 1 1 3065 1 1 7358 1 1 1 5653 1 2975 1426 3887 1 2272 1 1 1 4025 1 1 1 1 8953 1 1 1 1 4493 1 1 1 5276 8007 1 1 1 1 1 1 7682 8366 1 1 1 1 1 1 6334 1 1 1 1 3926 1340 1 2806 1 1 1 1 1 1 4317 5479 1 6876 3635 1 1 2416 3766 1 1 1 1 1 3884 2471 2880 1 1 1 3609 6650 1 1 1 127.0633 *127.0633* GUVACINE 1 2049 1 1 1100 1 1 1815 1 1322 1402 1 1742 1 2402 3283 1597 1 3680 1652 2312 1 1432 1716 1 2276 1 1919 1 2156 1 1 3536 1957 1 1 1 1 1 1 2002 1 2372 1003 1 1 1 1690 3606 1 1 1 1 1 1 1013 2570 1 1 1 1947 1311 1790 1 1 1 3187 1882 2147 3498 1175 1 1506 1 1 1 1 3999 1 1 1 3175 1 1625 1725 4526 4390 2073 1 1045 C10149 127.0633 *127.0634* 127.0634@1.1156242 1 1076 1 1 1 1510 1 1 1 1 1205 1 1 1 1 1 1 1 1 1 3951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2001 1 1 1 1 1 1 1 1242 1391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1298 1 1 1 1 1 127.0634 *127.0634* 127.0634@2.0994282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1451 1 1 1 1 1 1 1995 1 1219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0634 *127.0635* 127.0635@1.2948107 1 3140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1343 2083 1334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1890 1 1 1 1 1 127.0635 *127.0637* 127.0637@1.441957 1 1128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0637 *127.064* 127.064@1.2377101 1 1911 1 1 1 1 1 1 1 1345 2267 1056 1 1 1307 2115 1 1 1 1 2740 1231 1 1 1 1 1 1336 1 1 1 1 1 3341 1 1 1 3000 1 1 1 1 3296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1258 1635 1 1 1 1 1 3095 4941 1192 1309 1 1 1 1 1 1 2551 1 1 1319 2143 1 3345 1408 1 1 1 1 2579 127.064 *127.0648* 127.0648@2.6920204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1033 1 1 1 1 1 1 1 1 1 1 1 1462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0648 *127.0666* 127.0666@1.0612754 1 1964 1225 1365 1 1 1 1 2735 1 2487 1 1 2569 1 1 3168 1 3288 2067 1 1890 2534 2473 1 3126 2874 1 1 1 3218 3184 3062 1 1 1 5485 4226 2136 1 2084 1 1 3825 3042 1 2449 1 3212 3630 3794 1 2372 1 1 1 1204 1 1 2838 3486 4132 4983 4457 3650 1 1 1 3201 2835 1 1 1 1 1 1 1 3542 6753 6530 4683 4719 2644 3168 4814 4527 4558 4231 1 5127 127.0666 *127.0706* 127.0706@1.152787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11233 8603 1 1 1 1 1 1 1 1 1 1 21752 23950 1 1 1 1 1 1 1 1 1 1 127.0706 *127.0907* 127.0907@4.05315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0907 *127.0919* 127.0919@4.0945396 1 1 1 1 1908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0919 *127.0949* 127.0949@0.67300886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0949 *127.0956* 127.0956@5.523669 1 1 1 1 1252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2577 1 1 1 1 1 1 1 1 1 1 127.0956 *127.0958* 127.0958@4.066092 1 1 1 1 1767 1706 1 1 1 1 1 1 1 1 1 1 1 1057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1588 1 1 1 1 1 1 1 1351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0958 *127.0966* 127.0966@3.5619278 1 1 1 1 1 1 3593 1834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0966 *127.0973* 127.0973@6.013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0973 *127.0988* 127.0988@3.4916198 1 1 1 1 1 1 20674 24461 1 1 1 1 1 1 1 1 1 1 1 1 1 1320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0988 *127.9966* C5 H4 O2 S 21385 19974 23308 21481 21971 22449 22294 23782 21376 24116 22241 20463 21072 22927 24685 23286 20542 21590 23121 21487 22279 23629 25419 26170 23228 15842 23403 23932 22612 23174 22366 21009 21926 22005 27530 22960 25832 17610 23860 24137 23474 21706 17218 24480 25273 24731 23791 23188 25303 25993 25218 23910 26015 22494 23385 23185 23945 24478 25895 22035 17126 25970 23217 23490 20762 24572 25669 23714 21513 23059 23648 21887 26562 24107 25506 25388 26139 24832 24139 24117 24187 24789 26085 23976 22271 20678 22236 16629 23144 22741 127.9966 *128.012* C5 H4 O4 3355 3417 5437 5404 3482 3929 3170 3283 4336 3837 4066 4021 5291 5486 4833 5229 3832 4001 5038 4538 4424 5199 2382 2267 4717 4585 5693 6240 3515 1981 4277 3387 3752 3468 3925 4201 3940 3512 4751 5587 3842 3940 5835 5643 4064 3683 4013 3555 2728 2587 4394 5429 4900 4365 2984 2942 4374 4737 3191 2959 4334 4171 3677 3596 3552 3409 2665 2343 3449 3722 3617 3766 4623 4691 6471 5776 4368 4909 4087 3746 2166 2176 5308 5616 4297 4732 5814 5863 3131 3288 128.012 *128.0128* 128.0128@1.1332806 1 1 1 1 1 1 5770 5795 1 1 2375 1 1240 1 1 1 5116 5611 4465 4729 1 1 1 1 1 1 2712 2226 1 1 1 1 1 4971 1 1 1 1 1976 2534 2825 2691 4537 5154 3126 4249 1814 1000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0128 *128.0156* 128.0156@1.1279837 1 1 1 1 1 1 1 1 2839 2373 1 3252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0156 *128.0464* 128.0464@0.73297554 1407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0464 *128.0477* 128.0477@1.2110882 1 1 1 1148 1 1 1 1 1 1 2956 1 1038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1620 1 1 1 1 1 1172 2777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1003 1167 1 1 1106 1267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1131 1 128.0477 *128.0478* 128.0478@0.65009296 1616 3092 1 1 1 1 1129 1 1083 1 2221 3732 1077 1 1 1 1825 1 1 1 1 1 1 1351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0478 *128.0482* 128.0482@3.1216602 1 1 1 1 1 1 1 1 1 1 1 1208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3015 1600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2885 3718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1318 1108 1 1 1 1 128.0482 *128.0483* 128.0483@6.106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0483 *128.0483* 128.0483@1.7770829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1541 1 1 1 1 1 1 1 1 1 1 1 128.0483 *128.0485* 128.0485@3.4337654 8149 8786 1 1 3395 2638 4645 2592 1 1 2088 3151 1 1 1 1 1 1 1 1 1500 1 1 1 2322 1 1 1 2469 2433 1 1 1 1 1 1 2714 1305 1 1 1 1 1 1 1 1 1725 1452 1 1 1 1 1 1 1 1 1 1 8964 11056 1728 1123 1 1 1120 1 1706 1495 1 1609 1 1 1 1 24138 25034 1914 1598 1 1 1 1 5959 3645 1 1 1 1 1 1 128.0485 *128.0485* 128.0485@3.951059 1 1 1 1 1 2351 1453 1 1 1 1 1 1340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0485 *128.0492* 128.0492@0.6694811 1812 1 1 1225 1 1247 1451 1 1654 1 1 1 1521 1 2041 1 1572 1 1 1 1 1 1848 1034 1 1 1 1 2715 1 1 3396 1215 1 1 1 1 1 1 1 1 1 1 1306 1 1265 1 1 1 1743 1 1 1 1 2400 1 1 1356 2029 1 1 1 1 1 1 2171 3790 1 1 1 1 1 1 1 1 1 1 2283 1 1 1 1 1 1 1 1352 1 2458 1727 1 128.0492 *128.0498* 128.0498@1.0935334 1 1 1 1 1331 1 1546 1 2951 4162 1 1 2964 1 5053 5018 1 1 3018 1 2868 1205 1 1 1 1 2704 1 1 1 1 1 1 1 1 2500 1825 1650 1 1 2572 3409 1 1 3152 3577 1 1 1 1076 1 1413 2416 1 2869 3647 1680 1442 1580 3505 1 1 1 1080 1 1 2576 1 1 1 1 1 1 1 1328 1 1 1 1 1728 1 1 1 1 1 1 1 2728 1101 1071 128.0498 *128.0501* 128.0501@6.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0501 *128.0505* 128.0505@6.29 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0505 *128.0525* 128.0525@3.4301658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2116 1 1945 1 128.0525 *128.0528* 128.0528@0.71899277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0528 *128.054* 128.054@1.2060306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1310 1 1 1 1 1 1 1 1 1 1 1 128.054 *128.0544* 128.0544@0.99812317 1 1 1 1 7116 9760 1 1 1 1 1 1 1 1 1 1 1 1 1 4407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1361 1 1 1 2520 1 1 1 1 1 1 1681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1005 1 1 1 128.0544 *128.057* 128.057@2.6529431 1 1 1 10100 8428 6352 7426 7284 1 7929 11027 7970 4685 8048 1 1 1 1 1 7706 8147 7385 6432 7831 8958 7954 1 5370 1 6600 8660 1 1 1 7125 1 3073 8040 1 1921 1 1 1 9040 6631 1 1 1 10664 10799 8998 1 11585 9208 1 7282 5221 9130 1 1 1 1 1 9519 8134 9336 6418 3384 7286 1 1 1 7823 1 1 1 1 7865 2055 6848 1 1 6727 1 7290 5253 1 5920 4409 1 128.057 *128.0575* L-gamma-Cyano-gamma-aminobutyric acid + 2.6655388 4457 9338 10661 1 1 1 1 1 7912 1 1 2373 3450 1 9644 8663 6678 6944 8817 1 1 1 1491 1 1 1 7562 3108 7785 1 1 8764 11130 12356 1 7651 5780 1 6140 4202 15477 19397 9866 1 1 5735 7712 7834 1 1 1 7743 1 1 7372 1 2085 1 2348 8763 9616 9295 10234 3840 1 1 1 1 1 6130 8874 9568 1 8416 10647 6515 7833 1 4413 1 7193 8099 1 8485 1 2359 10046 1 1720 6349 128.0575 *128.0579* L-gamma-Cyano-gamma-aminobutyric acid 19253 20177 22407 22791 1 1 15588 14519 10531 9370 21777 20072 7472 10968 11093 10720 34997 34333 26692 25514 15645 19510 14913 17239 15939 15444 12818 14916 13215 13705 22971 23401 22252 22194 16090 16700 28189 24207 21021 22237 7718 9350 11918 13208 8702 8378 31035 28503 34198 35361 23203 20029 31932 25894 7745 6731 15207 18901 11909 10315 66242 64939 45511 47411 9878 10589 43141 42684 39287 36714 28250 26922 14190 14672 17629 17857 20737 18186 18796 19743 17510 17281 24620 24338 13488 16009 23527 24364 22147 25126 128.0579 *128.0624* 128.0624@1.241047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8274 1 1 1 1 1 1 1 1 1 1 1 128.0624 *128.0898* 128.0898@4.2060757 1346 1005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0898 *128.09* 128.09@1.2342623 1 1132 1 1494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1108 1 1 1 1 1 1 1 1 1 1033 1 1 1 1107 1 1 1 1736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1157 1 1 1400 1 1383 1 1327 1645 1 1 1 1208 1 128.09 *128.0909* 128.0909@1.2342423 1201 1 1622 1 1 1 1010 1200 1 1 1 1 1044 1 2059 1797 1384 1280 1730 1702 1042 1131 1 1115 1 1 1088 1 1 1 1 1 1 1 1130 1 1743 1740 1550 2076 1 1470 1 1 1 1145 1 1 1 1 1 1 1 1 1474 1 1 1 1525 1329 1247 1 1674 1601 1 1 1452 1311 1 1 1328 1175 1 1 1 1 1 1393 1 1 1368 1 1110 1 1 1503 1 1 1 1115 128.0909 *128.1308* 128.1308@0.7545011 1 1 1 1 1 1 1 1 1 1 7200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.1308 *129.0422* 129.0422@4.3536453 1 1 1 1 1 1 1 1631 1 1 1 1 1 1 1 1 1 1 1316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1034 1 1139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.0422 *129.0423* 129.0423@1.0420165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.0423 *129.0428* Pyroglutamic acid 352345 351419 278457 275088 358779 363021 315350 315168 336033 340650 310914 288031 323504 339345 322258 324890 323791 330232 284740 285952 297976 312921 321309 301787 338925 334461 247758 237735 320733 316866 303336 290548 315414 310344 307231 305955 291174 297900 283924 289308 341558 332275 333580 336730 325350 333660 261775 253800 260325 263274 294598 297094 346638 331216 306765 327915 305308 315082 334290 328298 288473 292028 252998 253435 337977 327104 217206 226975 275776 273685 293076 295599 316923 322337 343781 350221 297066 285261 197585 222516 309067 313353 261904 255997 260565 254487 306686 308038 341560 323151 HMDB00267 C01879 129.0428 *129.0429* 129.0429@1.5412066 15966 1 1 1 1 1 11286 1 1 1 1 1 15996 1 1 1 1 1 11927 14069 1 1 1 1 1 1 1 1 1 1 22153 1 1 19296 1 1 19981 1 1 1 1 1 1 1 1 10400 1 1 1 1 1 1 1 1 1 1 9456 1 23149 1 1 1 23855 1 15574 1 1 1 1 1 1 1 1 12697 14651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.0429 *129.0429* 129.0429@1.1058015 1 1 1 1 1 1 1 1 1 1 3277 2183 1 1244 1503 1319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3631 1 3303 2088 1 2429 3426 1 2307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2190 1 1565 1685 1 1 1895 1 1 2814 1 1 3259 1 1 1 1 1449 1 1 1491 1271 1511 1 1 1 1 1921 1 4026 1298 1 1 129.0429 *129.0431* Pyroglutamic acid + 1.5233006 1 18814 23077 25229 16154 17446 2850 13292 14167 14237 15355 18332 2421 15779 13193 11798 16093 16752 1335 1883 17690 15558 17218 15809 24567 21819 13408 14057 18516 17766 1954 23847 19363 1963 18401 17312 1 21859 13097 13231 17480 17131 17191 16690 15043 1 16523 17699 15718 14891 19526 20142 33542 38198 22851 23852 15557 25615 1430 23987 25165 21845 1604 22131 1 24874 20992 19781 23513 27050 18639 20911 19360 4415 1646 18291 21361 22727 57921 61530 22956 22441 23360 21208 16750 20459 48657 48596 24006 26939 HMDB00267 C01879 129.0431 *129.0432* 129.0432@0.99841905 1 1 1 1478 3662 1 1 1 1 1 1 20885 1 1 1 1 1 1 1 1 1 1 1 14536 1 1 1 1884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4513 1 1 1 1 1 2073 1 1 1 1 1 5333 1 1 1 2839 1 1 2587 1677 1 15257 1 9029 12707 2255 2489 1 1 1 1376 1321 14832 14918 1 1 1832 1 1 1 1 1 1 1 13084 129.0432 *129.0438* Pyroglutamic acid + 1.2445769 70206 84410 99900 95503 75652 70155 59161 56266 62554 63187 68754 67711 73622 71315 55884 56279 1 53854 56514 60992 72200 71099 86559 85165 117964 97597 51124 54662 84786 69554 104119 110949 1 74668 80081 81184 94258 85889 62839 61096 65800 67681 71509 71008 60086 60017 61870 68286 72070 79032 99589 102385 1508 133718 107796 92984 98322 114069 109570 113062 101013 113892 84211 90137 96576 102942 76294 85425 113270 112934 1401 1 75909 88869 74120 73073 89789 98485 211669 215526 1 100297 100096 99225 71742 78940 182901 188292 117944 120900 HMDB00267 C01879 129.0438 *129.0443* 129.0443@4.3563547 1 1 1 1 1 1 2483 1 1 1 1491 1837 1 1 1 1 1 2285 1 1033 1 1 1 1 1 1 1 1 1 1 1 1085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1788 3018 1 1 129.0443 *129.0476* 129.0476@1.3842504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2327 1 1 1 1533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132345 1 1 1 1 1 1 1 1357 1 1 1 1 1 1 1 3956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.0476 *129.0498* 129.0498@1.0840335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3018 129.0498 *129.0517* 129.0517@1.3289794 1 1 1 1 1 1 1 1 1 1 1590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.0517 *129.058* 129.058@1.3389312 1062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.058 *129.0619* 129.0619@1.3119835 1 1 1 1 1 1908 1 1118 1 1 1340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.0619 *129.0662* 129.0662@3.4271836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.0662 *129.0666* 129.0666@1.1070101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1144 1 1 1 1 1 1 1 1 1 1 1 1759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2093 1 1 1 1 1 1 1 1 1 129.0666 *129.0713* 129.0713@1.0825386 1 1 1 1 1 1 1 1 1 1 1272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.0713 *129.0713* 129.0713@1.3969986 1 1 1 1 1 1 1 1 1 1 1 1381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.0713 *129.0719* 129.0719@1.4160047 1 1 1 1 1 1 1 2202 1 1 1 1108 1203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1071 1 1 1 1 1545 1603 1 1 1 1 1 1388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1152 1 1 1 1 1 1 1 1 1 1 1 1 1 3047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.0719 *129.0722* C6 H11 N O2 1 1 1 1 1 1 1 1 1 1 7149 7194 1 4559 6721 7255 7369 7384 8090 7431 1 1 1 1 8229 11092 1569 1 1 1 1 1 10684 9228 7031 6857 10136 9851 5700 7192 5882 1 1 1 1 1 5587 6320 4378 1 4464 5682 13339 15153 1 1 1 1 1 1 1762 1 1 1 3402 2634 9853 6377 2812 1896 1327 1738 1 2717 2518 1 1788 3053 6881 7131 1 2989 12743 12191 1 1437 14117 15240 7574 6850 129.0722 *129.0723* 129.0723@1.2243068 14754 2186 1766 36482 1 1102 1 10045 6223 17761 8078 13806 1132 19575 30586 13958 1830 41174 13721 9975 1166 5720 1623 1073 8993 6219 2565 1 1305 1374 5885 4790 2760 4203 2574 1341 1 1 22796 8897 15822 2085 1781 8519 1829 1104 1 2199 11130 10326 1018 4612 17251 18577 4231 1 8706 2490 1174 1173 1303 17652 10996 1 1 1 4469 1993 16524 1979 1052 5537 22795 27068 10759 1235 1063 12436 1695 4807 2528 1748 11917 13979 9358 1177 11050 7401 2023 1416 129.0723 *129.0731* 129.0731@1.3665905 1 10267 1 1 1 1 1 2428 2342 1 1 2090 1 1510 1109 1125 41813 1764 2875 2364 1436 1 2055 1276 2439 1 1 1 1640 2282 3048 1 1 5151 1 1 1278 1 1 1 1055 1 1249 1 1717 1 1 1 2200 1329 1 1 3804 1 1 1 1 1198 1052 1 1 1 1399 1 1 1 1 1 1 1570 2654 1 1541 1782 1 1494 1543 1783 1 1 2142 1 1 1349 1 1247 1 3160 1774 1 129.0731 *129.0731* 129.0731@1.7939998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.0731 *129.0735* 129.0735@1.4037682 1 1 1 1 1 1 1 1 1 1 1 1224 1 2983 1 2030 1 1 1 1868 1498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1018 1142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15624 1 1 1 1 129.0735 *129.0742* 129.0742@1.0914629 1 1 1 1 1 1 1 1 1 1 1892 2246 1 1 1 1 1 1 1238 1 1 1 1 1 1 1 1 4922 3058 1 3952 4879 1 2553 1 1 1 1 1 1005 1 5048 1 1 1 1 2506 1 1 4579 1 1 2554 1431 1 1 1 7991 1677 1 1 1247 1 1 1 1 1 3681 1853 1 1 1 1 1 1 1963 1 1781 1 1 3952 1092 1 1 1 2082 1162 1766 1 3962 129.0742 *129.0744* 129.0744@1.2280141 1 1 29291 1 1 1194 1 1272 1 1 1 1 1 1 1811 1 1 1 1 1 1 1 1 1 1 1 1094 1 1 1 3038 1 1 1 1 3725 1 1 1 1 1 1051 1 1 1455 1 1 1 1 1 1 1 1 2754 1 1 1 1 1 1 1 1 1 1 2133 1 1 1 1 3371 1 1 1 1120 1308 5440 1 1 1 8171 1 1 1 1 1 1 1 1 1012 1 129.0744 *129.0779* 129.0779@0.712026 1055 1 1583 1383 2569 1357 1692 1 1 1 1 1 1 1703 1 1130 1056 2502 1 1037 1 1 1464 1362 1205 1807 1 1 1893 2573 1058 1 1076 1 1250 1321 1 1 1785 1 1550 1 1 1 1681 1 1 1747 1100 1 1 1 1754 1 1 1 1703 1 1 1 1 1 1202 1869 1 1 1 1 1 1674 2514 1 1 1 1 1 3182 1545 1178 1291 1 1 1 1 2235 1084 1 1284 1530 1 129.0779 *129.078* 129.078@0.64807445 1069 1 1 1 1 4014 1 1 1 1 1583 1 1 1 1 1352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1381 1 1 1 2215 1428 3458 1 1226 1 1 1 1 1 1533 2128 1 1 1156 1 1 1 1980 3964 1318 1 1053 1 1 1182 1 1 1 1538 1 2290 2676 1 2213 1 1 1 1 1 2211 1 1980 1 1 2656 2286 1 1 1065 1 2679 2920 2129 1 1 129.078 *129.0784* 129.0784@3.1533058 1 1 1 1 1 1 1 1 1 1 1 1 1 1680 17720 1 1 1 1 1623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2761 2175 1 1 1 1 1 1 129.0784 *129.0785* Vigabatrin 3829 1 6267 7212 1 6523 7448 7850 2580 4201 9865 9339 1 5978 4554 6283 8608 3112 2655 6423 1 1 5824 7042 7837 3237 4552 4289 4822 1 5920 1 2235 1 6109 6656 7866 2048 1 1 1417 1 5164 1 3966 4170 4785 7774 7897 1 3610 8055 2770 4448 5565 6215 7096 1 1 2089 1 4125 1 4634 3885 4989 3921 5320 4694 2984 3498 3522 9120 4267 4792 1 5537 4706 6496 1 1 1 1 3634 4091 2152 3663 6497 1 1 C07500 129.0785 *129.0786* pipecolic acid 1 2444 2883 2842 1025 2850 2525 2541 1 2777 1 3295 3165 2832 2153 16239 1 2511 1682 1841 2391 2747 3991 3508 3227 3766 1858 2346 2433 2526 1662 1 2685 1527 3405 3394 3714 2455 2478 1 1009 1640 1 2554 1879 1797 1 1834 1579 1714 2264 2060 2663 2893 2517 2740 1 2830 2054 2512 2446 1137 2091 1 2129 2144 1 1963 1644 1317 2541 1 1 1 2457 1 3687 2513 2570 3453 2551 2471 3120 2901 3594 1 2566 2553 1 1161 HMDB00070 C00408 129.0786 *129.0786* 129.0786@0.750676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1398 1 1 129.0786 *129.0788* Vigabatrin + 11.291644 4124 4472 3865 4541 4099 4184 3409 4180 4117 4323 4133 4415 4733 3848 4215 4219 4699 3693 4511 3110 3881 3129 4151 4080 4541 4166 3549 3439 3989 3629 3451 4253 3445 1 2950 3483 3142 3733 4139 2757 4252 3461 3575 3338 3174 3800 3696 3954 3026 3811 4117 3425 3899 3658 3881 4048 3177 3353 4009 3705 4525 4119 3652 3485 3572 4440 2931 3041 3250 3214 3140 2997 3463 4099 3677 3874 3749 2893 3624 3281 3280 3847 3346 3956 3409 3767 3550 3512 3402 3491 C07500 129.0788 *129.079* 129.079@3.6457407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1135 1 1 1 1 1 1 1263 1 1 1 129.079 *129.0828* 129.0828@1.396023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.0828 *129.0897* 129.0897@1.29002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.0897 *129.1011* 129.1011@1.1968361 1 1 1 1 65604 74596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169162 168317 1 1 1 1 1 1 1 1 143829 144436 1 1 1 1 1 1 245305 240401 183992 186824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 96103 91334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.1011 *129.1116* 129.1116@4.4500303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.1116 *129.1391* 129.1391@0.87786263 4225 4970 3028 4290 3392 3773 3133 4567 3536 4781 3410 3837 3852 4034 3879 3737 3674 4084 2795 3126 3324 4397 3868 3359 3896 3593 2953 2273 3029 3155 3446 2987 3483 4036 2572 3669 3430 4005 3109 3324 3756 1 3804 1 4055 4476 2211 2503 2814 2834 3063 3399 4328 4238 3861 4429 4162 4113 4228 3423 3431 3609 2210 2706 4228 4301 2319 1 2971 3545 2342 3668 3998 1 4858 3634 3304 3615 2544 1 3487 3590 3201 2930 2138 3174 3618 3686 4101 3426 129.1391 *129.1417* 129.1417@1.2479038 1 2172 1 1 1 1 1555 1 1 2027 1 2602 1953 2193 1916 1 1 1 1 1 1 2250 1705 1 1995 1 1 1 1898 1 2163 1886 2140 2062 1847 1599 1 1 1 1071 1337 1 1 1 1 1 1 1 1 1 1 1555 1 1 1944 1 1984 2192 2787 1738 1 2336 1 1 1 1 2204 2647 1277 1 1 1416 1 1 1 1 1094 2615 2053 1 1 1455 1295 1 1263 1 1 2721 1 1 129.1417 *129.1429* 129.1429@1.2463325 1 1 1 1 1 1 1 2792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1601 1 1 1 1 1 1622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.1429 *129.1499* 129.1499@9.733922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1906 1 1 1969 1 1 1 1 1 1 129.1499 *129.15* 129.15@6.987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.15 *129.1501* 129.1501@10.345049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2215 1 1 1 1 1 1 1 1 1918 1 1 1 1 1 1 1 1 1 1 1 1176 1461 1 1 1 1606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.1501 *129.1503* 129.1503@11.003358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2708 1 1 1 1 1 1 1 1 2967 1 1 2320 1 1 1 1 1 1 1 1358 1900 1479 5347 1 1 1871 1 1 1 1 1463 1 1 1 1926 1 2769 1 1 1957 1 1 1 1 1 1 129.1503 *129.1504* 129.1504@6.091917 1 1 1 1 1 1 1 1 1 1 1270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.1504 *129.1504* 129.1504@12.820468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4781 1 1 1 1 129.1504 *129.1505* 129.1505@13.981522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3208 1 1 1 1 1 1 2685 1 1 1 1 1 5857 1 1 1 1 3005 4094 1 4278 1 1 4854 1 1 1 1 4719 1 3801 3456 1 1 1 1 3508 1 3642 1 3338 1 1 1 1 1 1 1 1 1 1 1 1 1 3559 1 3800 1 1 1 3909 3222 1 3445 1 129.1505 *129.1505* 129.1505@12.170836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2505 1 1 1 1 1 1 2310 1 1 1 1 1 1 1 1 1 3173 1 2150 1 1 1 1 1 1 1 1 1 2483 1 1 1 1601 1 1 1 1 2064 1 1 1 2751 1 1 3375 1 1 1 2389 2026 1 1 1 129.1505 *129.1505* 129.1505@12.6507635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2938 1 1 1 1 129.1505 *129.1505* 129.1505@13.038511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3811 1 1 1 1 129.1505 *129.1506* 129.1506@14.618506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2216 1 1 1 1 1 6011 1 1 1 1 2221 3770 1 3788 1 1 1 1 1 1 1 5870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3839 1 1 1 1 1 1 4325 1 1 1 1 1 1 1 1 1 1 129.1506 *129.1506* 129.1506@13.578814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3832 1 1 1 4558 1 1 1 1 129.1506 *129.1508* 129.1508@4.4809284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1578 1 1 19897 1 1 1 1 6979 14378 1 1 24472 1 7903 1 1 1 1 24291 1 1 1 1 1 1 11035 1 1720 1 1 1 1 13622 1 9110 1 1 1 1 1 1 2691 1 1 1 1 9423 1 20621 1 20368 1 1 1 1 1 1 1 1 1 1347 1 2229 5296 1 1 1 1 14831 1 1 1 1 1 1 129.1508 *129.1508* 129.1508@13.02585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5043 1 1 1 1 1 1 1 1 1 4121 1 3483 1874 1 1 1 1 1 1 1 1 2389 1 1 1 1 1 1 3220 1 5140 1 1 1 1 3826 1 2075 1 3577 1 2726 2957 1 4192 1 129.1508 *129.1508* 129.1508@12.024712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2112 1 1 1 1 129.1508 *129.1509* 129.1509@4.4248705 1 8594 3972 6389 10534 1 1 1 1 5044 1 7927 1 1 1 1 6288 1 1 7527 1 1 1 6631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8496 8927 1 1705 1 5035 5654 1 1 6816 4865 1 3310 1 1 1 1 3978 1 1 3872 4416 6993 2205 1 1 1 1 5227 3102 1 1 1 1 1 1 6528 1 1 1 1 1 5682 1 1 1 6669 1 1 1 1 129.1509 *129.1509* 129.1509@4.643127 1 1 1 1 1896 1 1 1 1 1 1 1 1 1 1396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1329 1 1 1 1 1469 1 1 1 1 2561 1 1301 1 1 1 1106 1 2566 1 1 1 1092 1 1 1 3578 1878 1 1 1 3544 1 1 1 1 1016 1 1 1 1 1 3420 2830 1 1509 1 2427 1477 1 2416 1640 1 1 1 1656 2228 1 1 1 129.1509 *129.1509* 129.1509@14.380453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4645 1 1 1 1 1 1 1 1 1 1 3795 4327 1 5061 1 1 4310 1 1 1 1 5801 1 1 1 1 1 1 1 1 1 2957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7278 1 3396 1 1 1 5833 1 1 3704 1 129.1509 *129.1509* 129.1509@14.855421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.1509 *129.151* C8 H19 N 21519 16119 17599 15137 1 24407 25725 27069 25106 1 28319 16305 26093 24565 23301 25357 14975 1 23636 21266 22122 23755 15708 3866 24913 23658 1 21903 16752 23547 21873 25245 21638 1 24694 23480 26023 1 21603 16445 1 24286 21906 34803 18651 12964 14973 1 11038 1 16648 14845 18116 23705 16229 16506 4376 20340 17591 13390 9738 2078 15548 1 20091 1 17602 8919 15344 21972 17049 18190 19425 17172 19245 7313 12367 16307 10245 1 16871 13509 17526 1 17455 16815 21784 1 17199 14581 129.151 *129.1511* 129.1511@6.3465204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.1511 *129.1514* 129.1514@7.609868 1 1 1 1 1 1 1 1 1 1 3766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.1514 *129.152* 129.152@5.0919704 1 1 1 1 1 1 1 1 1 1 2093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.152 *129.152* 129.152@8.821958 1 1 1 1 1 1 1 1 1 1 2178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.152 *129.9562* 129.9562@0.7820157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.9562 *129.9831* 129.9831@0.77601033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2607 1 1 1 1 129.9831 *129.99* C8 H2 S 1 1 1 1 2163 1 1 1 1 2247 2264 2038 1 1 1 1 1 1 1 3802 1 2275 2539 1 1 4138 4270 3356 3721 1 4032 1 1 4306 2776 2605 5357 6603 5582 4654 3732 1 2479 4245 4530 3910 3855 2529 1 4366 2722 2592 1 1 1 1 5495 2280 1 1 4204 1 2204 1 3912 4593 2475 2306 3774 4641 2539 2479 4044 1 1 4492 4083 4501 2339 4015 3533 1 2114 4828 3788 1 3995 3919 1 1 129.99 *129.9912* 129.9912@0.77620184 2282 2318 2338 2656 1 2454 2653 2470 2132 1 1 1 2368 2401 2219 2325 2357 2278 2501 1 2168 1 1 2857 2002 1 1 1 1 2359 1 1 2633 1 1 1 1 1 1 1 1 2205 1 1 1 1 1 1 2057 1 1 1 2342 2419 2252 2808 1 1 2160 2606 1 2374 1 2062 1 1 1 1 1 1 1 1 1 2391 2304 1 1 1 1 1 1 1 1 1 1 1 1 1 2049 1935 129.9912 *130.0351* 130.0351@1.1190062 1 1 1 1 1 1 1 2122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0351 *130.0425* C9 H6 O 2171 2244 2865 3119 1656 2014 2146 2442 1957 1545 2970 3093 2426 2042 2527 2170 2973 3283 2065 2072 2162 2450 1322 1718 2360 2644 2255 2232 2378 2309 2397 2284 2051 1840 2289 2017 1499 1864 1990 1913 2041 2400 1725 2103 1249 1534 2239 2080 2388 2108 2131 2018 2468 2435 1579 1689 2056 1937 1589 2036 1846 2247 2528 2232 3059 3241 1498 1411 2337 2608 1886 1857 2813 2650 2573 2226 2113 2253 1553 1706 1765 1823 2448 2761 1946 1443 3762 3744 1810 1598 130.0425 *130.0462* 130.0462@1.5190362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1438 1 1 130.0462 *130.0628* 130.0628@3.535518 1 1 1 1 1 1 1 1 1 1 1151 1242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2589 2750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0628 *130.064* 130.064@3.3661153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.064 *130.0697* 130.0697@1.0330364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1624 2243 1 1 1 1 1 1 1 1 1 1 130.0697 *130.1095* 130.1095@1.1533297 1 1 1 1 16721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10598 1 1 1 1 41379 1 10741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12449 1 1 1 1 1 1 1 1 1 130.1095 *130.11* N-Acetylputrescine 14882 15458 20540 20195 1 10436 18706 18775 19930 19327 20691 19751 17152 16332 16578 17950 24664 24651 20214 20451 13429 14360 1 11003 15742 14329 41388 1 10332 1 15327 14473 17518 17295 14800 15101 15330 16567 17645 17137 23940 22231 26844 26949 10810 10033 11786 13040 14268 15876 17513 18469 17108 17657 13487 12267 11769 14401 12101 12112 15810 15682 20690 19980 17076 18887 15883 13721 14260 14262 18934 17586 20015 18175 19475 19840 18050 16490 12423 11635 1 12919 22073 21019 21396 20387 18185 18734 13461 12931 HMDB02064 C02714 130.11 *130.1542* 130.1542@14.757601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.1542 *130.1556* 130.1556@4.481841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1338 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.1556 *130.9532* 130.9532@7.4122314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.9532 *130.9536* 130.9536@14.63961 1 1 1 1136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1466 1 1 1 1 1 1 1 1 1 1 1862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.9536 *130.954* 130.954@5.985468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.954 *130.9553* 130.9553@14.781062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.9553 *131.0473* 131.0473@2.0630333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0473 *131.0498* 131.0498@2.123678 1 1 1 1 1 3085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4619 1 1 1 131.0498 *131.0501* 131.0501@2.0789993 1 1 1 1 3566 5003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8626 16446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3299 4555 1 1 131.0501 *131.0546* 131.0546@2.1030154 1 2857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4240 1 1 1 1 1 1 1 1 1 1 1 1 3553 1 1 1 1 1 1 1 1 3425 1 1 1 1 1 1 1 1 1 3265 4103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0546 *131.0554* 131.0554@2.1430182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0554 *131.0588* 131.0588@1.6005187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1450 1 1 10809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7154 1 1 1 1 131.0588 *131.0591* 131.0591@2.9750705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16176 4033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0591 *131.0597* 131.0597@1.7332281 1 1 1 1035 1 1 1 3920 1 1 1 1 1 1 1 1 2331 1 1 1 1 1206 1 5692 1 1 1 1 1680 1 1 1 1 8506 2421 1 4584 10200 1 4360 1 1 1 1268 1 1 1 1 1 1 6043 1 1 1 1 5084 1 1 1412 1 1 1 4676 1 1 1 2615 1 1 1 6242 1360 1 1 1 1 1 1 1 2374 3567 1 1 1 8161 2311 1 1 1 1 131.0597 *131.0621* 131.0621@1.706353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3005 1993 4498 3100 1 1 1 1 1 1489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2825 1 1177 1 1 1914 1 1 1 1 1 131.0621 *131.0684* 131.0684@1.7959998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0684 *131.0698* Creatine 700058 713487 683433 670469 624625 626725 635600 632470 1053422 1063841 611461 582639 748118 742360 818661 815049 715902 720422 627498 624481 708243 708682 860379 857955 757764 763916 717527 731974 655174 653249 176079 749843 646308 640482 747354 757129 553874 551027 769327 760155 620638 648627 797237 794726 823178 825384 617638 617351 696349 715814 806366 806977 766216 798615 665250 721797 822001 812376 734923 732835 565146 561045 616904 612123 780793 788504 463965 440319 652533 646720 530536 539486 680829 673962 809560 811672 690342 685427 193683 699576 705643 671136 795480 790779 136221 584050 595384 602296 670850 659278 HMDB00064 C00300 131.0698 *131.0698* 131.0698@1.1770633 1 1 1 3240 1 1 21681 1 1 1 1 1 1 1 1 3424 3288 6010 1 1 1 1 1 1 1 1 1 1 1 1 1 5992 6161 1 1 1 1 1 1 4110 7346 1 1 2928 5108 6842 5532 1 1 6118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9458 1 5774 1 1 1 131.0698 *131.0703* 131.0703@1.1253887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15819 19692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16739 1 1 1 1 1 1 1 1 1 1 1 13184 10257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0703 *131.071* C4 H9 N3 O2 5463 9465 8689 5692 6886 6704 9549 4552 5971 1 8100 1 1 5020 1 5476 5361 12231 4472 4319 2249 18353 11872 7501 10278 10633 6385 4892 9574 3995 8384 5094 6086 4688 13737 14974 5117 3771 1 10231 5810 6022 4596 4496 13489 7869 10412 7142 6826 11405 12568 16011 9734 4828 11811 8701 5084 10857 12479 14216 12197 1 7712 8045 1 9292 6100 5944 1 7231 5570 9452 9222 10043 6312 10069 13456 9702 498495 1 7055 7200 20011 12179 10258 1 4516 5150 7794 7636 131.071 *131.0711* C9 H9 N 5788 12466 1 9002 5155 4446 4926 14451 15898 6267 5483 20506 9565 1 5939 4133 9189 12815 3435 14597 4454 11626 1 6622 2108 3570 1 10952 4722 3502 612579 4077 4652 7587 9820 1 1 2448 1 12533 7452 1 17072 17279 6760 4409 6921 6564 1 7443 4709 6998 1 5266 4194 3752 2252 4477 8398 7573 1 3949 3421 3262 4238 4117 2877 1 4617 5144 4950 8630 3245 3003 4681 7044 5262 1 35526 1 6674 3640 6988 4134 464701 1 2971 1 1 4527 131.0711 *131.0752* 131.0752@1.6220407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1356 1 1 1 1 1 1 1 1 1 1333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1591 1 1 1 1 1 1 1 131.0752 *131.0764* 131.0764@1.7725275 1 1 1 1 1 1 1 1 1313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1333 1 1 1 1 1 1 1 131.0764 *131.0778* 131.0778@1.2009876 1 1 1 1 1 1 1 4110 1 1 1 1 1 2843 1 1634 1 1 1 1 1 1 1 1 1 1 1429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0778 *131.0791* 131.0791@1.4860578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1187 1 1 1440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2210 1 1 1 1 1 1 1 1 1 1 1 1 1 2020 1 1 1 1 1 1 1 131.0791 *131.0824* 131.0824@1.4938471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3228 1362 1 1 1 1 1 1 1 1 1662 1 1 1 1 1 1009 1 1 1836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0824 *131.0825* 131.0825@1.1751297 1 2453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2569 1 1 1 1 1 2114 1 1 1 1 1 2476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1820 1 1 1 1 1 1 1 1 1 1 1 1 3465 1 1 1 1 1 1 1 2502 1 1 1 1 1 1 1 4354 1 1 1 1 1 131.0825 *131.0838* 131.0838@1.739961 1 1 1 1 1 1 1 1 1398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0838 *131.0856* 131.0856@2.9520261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0856 *131.0871* 131.0871@1.5843778 1 1 1 1 1 1 1 1 2015 1 1 1 1 1 1 1 1029 1420 1 1 1 1 1214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0871 *131.0891* 131.0891@1.1760502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2702 1 1 1 1 1 1 1 1293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0891 *131.0893* 131.0893@2.0390084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12531 1 131.0893 *131.0903* 131.0903@2.087346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4236 1 1 1 1 1 1 1 1 1 1 1 1 1 8777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8895 1 1 1 6804 1 1 1 1 1 1 10080 11132 1 1 1 1 1 1 1 1 8654 1 1 1 16750 1 1 1 10396 1 131.0903 *131.0933* C6 H13 N O2 1 12322 1 15889 1 18592 20695 1 11391 8587 22873 22910 14584 12727 1 12312 18475 20019 4035 15035 23273 17692 8055 3196 20196 12508 12227 14013 8972 10465 25441 20511 12813 11581 21412 8925 1 1 6990 1 1 7610 27109 23827 11223 6101 18754 1 13558 6071 10084 10945 12025 8916 16218 10289 6181 11828 12746 14531 17301 17488 11879 13273 16878 15029 15268 1 16287 16108 1 1 37335 19313 1 6979 16176 18129 15845 21572 3239 1 11394 14106 1 27347 19009 26288 1 1 131.0933 *131.0938* 131.0938@3.0583377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1070 1 1 2141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1755 1 1 1 1 1 1 1262 1 1 1 1 131.0938 *131.0939* 131.0939@3.18295 1 1 1 2052 1 1 1 1 1351 1 1 1 1 1 1 1 2594 1206 1 2850 1 1 1 1 1 1 2489 2330 1 1 1127 1 1 2905 1 1 1 1 1 1 1 1 1 1 1 1 1 2450 1 1 1823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2546 1 1 1604 1332 1 1 1 1446 1 1 1 1 1320 1 1 1 1773 1 1 1680 1 1587 1 1 131.0939 *131.0941* Isoleucine 26265 29998 1 11216 48539 16544 65673 1 33363 1 1 54143 42746 37115 1 5850 39405 12665 33012 39855 19790 18066 30231 27450 32683 1 1 65013 3680 22597 1 1 34280 42153 5718 6361 30494 1 1 1 25404 30024 1 1 1 40144 1 1 39270 26353 1 1 47003 24799 11715 1 18113 40607 1 29508 18801 40373 37091 1 1 1 1 18758 1 16408 30946 1 16402 9722 1 35081 1 1 15521 19388 1 1 4968 11099 35565 28355 1 18402 1 1 C00407 131.0941 *131.0941* 131.0941@2.273208 1 1 98671 1 71488 78911 1 1 61037 1 1 1 50974 1 1 99494 1 55348 1 1 60886 1 41744 57883 66909 1 1 1 1 36336 1 1 1 1 1 11047 67911 1 65667 1 42643 1 1 1 1 1 1 1 1 68574 1 1 1 1 94315 93015 22144 53489 9265 34251 1 65707 11731 94235 1 1 61182 41663 122219 1 1 75163 1 74757 1 65273 1 1 1 1 63563 1 1 1 1 49796 1 1 1 1 131.0941 *131.0941* Leucine + 3.3912697 27100 25988 24399 25060 18886 17642 20530 18734 23664 25846 19253 21526 20691 22466 25747 23858 21418 15905 22258 22778 20237 20651 20237 18053 16095 18887 19981 21245 22468 22176 10739 10613 14265 13244 12286 13890 13147 10772 14531 13927 10768 11842 11656 13447 13089 13766 10529 8353 11815 11514 10046 11593 11852 9251 9841 12081 10661 11447 12929 11854 13096 13094 11803 10822 11856 13587 12224 12198 9037 11184 8893 9400 11213 9600 14682 12735 11821 9141 12331 12227 10492 10578 9794 12262 9496 11446 11508 11989 12546 12778 HMDB00687 C00123 131.0941 *131.0942* Leucine 1 1 1 96495 1 38406 1 114209 1 80693 137327 37281 1 1 102034 1 1 37795 1 1 31209 56081 1 1 1 66732 123030 1 20232 1 74527 108446 1 1 38459 32643 1 49296 1 39042 1 1 141371 64911 95710 27194 81393 125679 1 1 52573 83284 1 43322 1 1 22042 1 59717 1 92418 1 1 1 96460 105241 1 1 1 113056 1 1 160895 18018 88717 1 95951 64366 91703 98174 1 62813 58997 78165 1 1 145190 76081 32239 56032 HMDB00687 C00123 131.0942 *131.0942* 131.0942@2.3133116 38461 38382 1 1 1 1 52881 1 1 1 1 67595 1 46115 1 1 60087 1 54076 58171 1 55027 1 1 1 37587 1 69556 28924 1 53531 1 42269 46434 36846 55759 1 46753 1 19102 1 42151 1 73868 1 35940 60817 1 52513 1 44378 1 15946 61463 1 1 23737 1 1 1 1 1 42337 1 1 1 1 1282 1 1 39269 1 1 77420 1 1 1 50170 1 1 1 1 31415 1 45586 1 1 81676 35695 1 131.0942 *131.0942* 131.0942@4.0944004 1 1 1 1 1 1 1 1 1396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0942 *131.0952* 131.0952@2.6769333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0952 *131.1056* 131.1056@5.915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.1056 *131.1659* 131.1659@0.9460862 1 1 1 1 15896 16133 1 1 1 1 14398 13330 1 1 1 1 1 1 14818 1 1 1 1 1 1 1 1 1 1 1 19859 1 1 1 1 1 12434 12470 1 1 1 15295 1 1 1 1 13487 14643 1 1 1 1 1 1 1 1 1 1 1 1 12577 12521 14264 14161 1 1 9519 9516 15597 15628 12666 12590 1 1 1 1 1 1 17821 1 1 1 1 1 14059 13809 13801 14599 1 1 131.1659 *131.9794* 131.9794@3.4074566 1 1 1 1 1 1 1761 1809 1528 1464 1 1 1094 1 1 1270 1 1 1416 1104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1887 1875 1 1 1 1 1938 1747 1 1 1 1 1241 1383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.9794 *131.9796* C5 H5 Cl S 8868 8952 5837 5858 5838 5950 10131 10166 9152 10248 8674 8861 9112 9950 4777 4437 10486 10876 8895 9182 6111 6463 1154 1 1 1 7814 7960 1821 2175 1 1 8520 8450 1684 1 1 1 7041 7142 7240 7057 11048 11224 12197 11880 9708 9849 12043 5463 1 1 1 1 1 1 1 1 1 1 1319 1 1 1 1 1 1 1 1 1 1 1 1 1 2742 2480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.9796 *131.9798* 131.9798@1.0150121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.9798 *131.9802* 131.9802@3.6978803 1 1 1 1 1 1 1 1 1 1 1 1 1018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.9802 *132.0245* 132.0245@1.4500318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0245 *132.0252* C5 H8 O2 S 1 1 30270 30426 34864 34983 1 1 1 1 1 1 1 1 28379 28885 7955 8476 1 1 22665 24605 17473 17482 34996 34436 1 1 20804 18891 32889 31911 1 1 23579 24817 23417 22101 1 1 1 1 1 1 1 1 1 1 1 1 22995 23061 31824 31202 21460 21177 31821 31218 27666 28819 28636 29688 27248 27453 32435 32941 23332 23785 37184 38694 24322 23336 38578 40141 6450 6305 22942 23310 1 1 23290 23748 26972 26443 21593 21551 54347 54294 34040 6553 132.0252 *132.0311* 132.0311@1.246537 8509 8207 1 1 1 1 8844 1 1 1 13933 13719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9794 11229 1 1 8917 8294 7497 6505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3416 3709 1 1 1 1 1 1 1 1 1 1 132.0311 *132.0332* 132.0332@1.2458051 1 1 1 1 1 1 1 9362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6009 5526 1 1 1 1 1 1 1 1 1 1 1 1 13940 14497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0332 *132.0343* 132.0343@0.9119836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0343 *132.0365* 132.0365@1.2449881 1 1 1 1 1 1 1 1 10039 10369 1 1 12355 11685 1 1 1 1 12291 11884 1 1 1 1 1 1 1 1 1 1 1 1 15798 15200 1 1 1 1 11706 11118 1 1 1 1 10807 11321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0365 *132.0607* 132.0607@1.2170179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1057 1 1 1 1 132.0607 *132.0697* 132.0697@3.9350219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0697 *132.0698* 132.0698@3.9173348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4935 1645 1 1 1 1 1 1 1 1 1 1 1 1 1342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7429 4139 1 1 1 1 1 1 1 1336 1 1 1 1 1 1 1 1 1 1 3383 7294 1 1 1 1 1 1 1 1 1 1 132.0698 *132.0715* 132.0715@6.011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0715 *132.0719* 132.0719@0.9962117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9593 1005 1 1 1 1 1 1 1 1 1 1 1 2726 1 1 1 1 1 1 1 1 7856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6306 1 1 1 1 1 1 1 1 1 1 132.0719 *132.0723* 132.0723@6.056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0723 *132.073* 132.073@4.763224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.073 *132.0742* 132.0742@1.0499921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0742 *132.0748* 132.0748@6.103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0748 *132.0781* D-Leucic acid + 3.991298 8710 8961 8942 8343 7520 8488 7439 8904 6902 8648 6799 1 8891 7149 8022 8171 29994 10790 8249 7545 8603 8101 8146 7595 8384 7758 8143 7578 27567 7957 8551 8181 6106 8016 6669 9027 7382 7342 7286 6657 7610 7130 8615 8076 7809 5655 6195 5839 5265 4753 4719 4932 5108 4433 4542 1502 4484 5421 5847 5657 5423 5244 4806 5237 5399 6771 4796 4574 5846 5739 5851 6852 5050 5737 6324 5152 5096 5583 7569 7415 5008 4629 6414 4891 4834 5167 5313 5521 5290 4844 HMDB00624 C03264 132.0781 *132.0781* 132.0781@2.985599 1153 4666 1 1 1197 2637 1 1 1 1 1 1 1 1 1 1127 1 1 1 1 1 1 1 1 1 1 10060 7284 1 1 1 1 1 1 1 1 3231 3751 1 1 1 1 1 1 2755 2817 1 1 1520 1582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1131 1 1 2034 2180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4161 4135 132.0781 *132.0782* D-Leucic acid + 3.683157 38965 24575 21938 29842 27730 25599 28631 27528 28316 28731 29236 33498 27895 27591 28925 28828 17744 31596 25513 31497 28001 28464 28041 1242 27610 27896 27360 28134 15308 33669 27480 25862 25881 26843 26755 26634 25761 25978 29347 27614 29559 26821 29302 28257 25484 19363 18240 18170 18476 19941 17181 18399 18630 16059 16302 17324 16349 20297 18442 17902 17392 18168 16919 18282 17219 16396 17039 16025 17613 8031 19800 19211 17552 19498 18110 18571 18409 17932 28230 21151 17309 18851 16118 16820 17628 17880 17818 16618 17950 18020 HMDB00624 C03264 132.0782 *132.0782* 132.0782@3.7221088 28128 29253 29663 1 1 29785 1 1 1 1 1 1 1 1 1 27781 15857 1 28904 1 1 1 1 27288 1 1 1 1 15261 27648 1 1 1 1 1 1 1502 1 1 1 1 1 1 1 1 1 1 1 1 18503 1 1 1 16310 1 17219 2828 1 1 1 1 1129 1 1 1 1 1 1 1 18321 1 1 1 16751 1 1 1 1 21456 1 1 1 1 1 1 1 1 1 1 1 132.0782 *132.0784* D-Leucic acid 5773 3070 1846 4455 20541 1437 1632 17312 2558 14715 15984 10009 15583 6594 1 1558 2710 11046 3440 16720 8177 2470 10591 11684 26026 3911 8372 1654 1308 2925 2918 2213 1721 9235 1581 1439 16985 1606 4236 2715 18661 2261 7249 2721 1515 2234 1 2099 5462 2087 1533 6529 12372 1128 2148 1634 3067 1 1174 7548 7009 12411 8735 1 1001 1 7980 1880 11899 1852 6931 1235 2086 2329 1654 6328 11508 6396 1334 5909 7801 8747 6519 2343 8763 2182 1031 1 5235 10914 HMDB00624 C03264 132.0784 *132.0784* D-Leucic acid + 3.3511949 1312 2118 14834 48620 1 1055 23390 26990 14958 31309 1 36948 1 19120 47275 3099 2432 33786 2487 30507 38298 16406 34679 11592 1 1378 8553 12082 3187 1445 17150 6497 10372 35307 25860 2036 26694 40974 40120 14687 24537 8792 17850 44368 43000 16776 14849 10603 1 1726 8813 22923 15561 6857 1158 1615 4980 29951 30026 21856 20056 15218 20422 28929 8193 28118 1 8293 16444 9651 21573 9279 10069 1018 5108 1 17835 22026 5964 38290 21159 19819 21862 27361 20612 6150 1265 27353 8850 13293 HMDB00624 C03264 132.0784 *132.0785* D-Leucic acid + 3.4208822 1192 11546 10664 1 27498 20235 23412 1 31131 1 1 1 1 20884 1 17385 12810 1 18375 1 1 1 1 20938 19417 44447 27698 1865 14395 12583 28513 34902 14973 1 19360 16334 1 1 1 1 1380 35713 18451 1661 1 13632 1 17104 11151 8911 20382 1 1 5529 23117 11902 6996 1 1 1 1 1 1 1 20378 1 1 13150 1 10936 1 19750 18464 8023 22319 1 1 1 9478 1 1 1 1 1 1 12620 1 1 14381 1 HMDB00624 C03264 132.0785 *132.0785* D-Leucic acid + 4.228268 3139 3015 3723 3554 2872 1 3263 1 1 2314 2401 5210 4224 1 1 3028 3567 4713 2569 3022 1 2581 1923 2233 2659 2807 2451 3893 2624 2608 2515 3444 2647 3492 3230 3257 2071 2312 3010 2622 2977 1478 2647 2408 2740 2146 1579 2851 1 1562 2128 1801 2084 1909 1720 1750 1888 2510 1388 1663 2214 2279 1532 1845 2148 2000 1347 2545 1742 1957 2379 2290 1960 2516 1 2502 1737 2452 1 3581 1880 1537 1545 2311 1 2536 1 2425 1911 2232 HMDB00624 C03264 132.0785 *132.0785* 132.0785@4.0147266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10315 1 1 1 1 1 1 1 1 1 1 1 7935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1031 1 1 1 1 132.0785 *132.0787* 132.0787@4.429699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1182 1 1 1 1 1 1 1 1 1 1331 1 1 1 1 1 1687 1 1 1 1 1 1 1 132.0787 *132.0797* 132.0797@3.5410202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0797 *132.0861* 132.0861@4.5108104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0861 *132.0929* 132.0929@2.3290102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0929 *132.0962* 132.0962@2.2653396 1 1 2701 1365 1 2571 7659 1 1 3625 1 1 1473 1 2738 1 1 1 1 1 3956 1 1 1 1 1 1 6267 2612 1 1 1 1 1 1 1 2884 6493 1 1 1 1340 1 1492 1 1 1 2488 1 3722 1370 2725 6881 6798 1 1 1796 2124 1397 1 1 1 5641 1 5070 2103 1182 1 1 3789 1 1 1 3603 2283 4190 3360 6203 3986 1 1 1 1 2724 1 1309 2965 1 1 1714 132.0962 *132.0963* 132.0963@2.2427585 1 1 1 1 1 1 1 1 1 2030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2750 1 1 1 1 1 1 1 1 1 1 1 1 1757 1 1 1 1 1 1 1 1 1 3967 1 3392 1 1 1 1 1 1 2534 1 1 3589 1 1 1 132.0963 *132.1701* 132.1701@0.95097756 1 1 1 1 1 1 1 1 1 1004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.1701 *132.9518* 132.9518@13.546243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.9518 *132.9519* 132.9519@14.73198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 132.9519 *132.9524* 132.9524@13.664458 1 1 1 1 1 1 1 1812 1 1 1 1 1 1 1 1315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1751 1 1 1 1 1 1 1 1 1 1 1531 1 1 1203 1052 1 1 1 1 1 1 1213 1252 1 1 1 1179 1 1 1 1050 1 1 1 1077 1 1 1092 1 1107 1 1 1 1 1 1 1 1 1 1 1 1 1 1482 132.9524 *132.9531* 132.9531@14.76007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.9531 *133.0117* 133.0117@0.86451083 1975 1 2400 2130 2829 2498 2638 2845 1959 1 1 3036 2316 2210 1725 1742 3606 3597 2740 3053 3719 3783 1 1703 2469 2496 2533 2666 1 1 1287 2225 2425 2509 2652 2555 2538 2241 1153 1723 2017 1470 3154 2688 2272 2037 2663 2702 2387 2119 2354 1234 2853 2641 2213 2023 3840 2461 1 1646 2978 3480 2930 2903 2331 1256 1478 1609 3681 3675 1485 1760 2967 3360 2114 2292 2246 1863 2263 2403 2089 1674 2633 2494 1515 1421 1 3505 1 2659 133.0117 *133.0117* 133.0117@0.8810212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.0117 *133.0392* 133.0392@1.2300463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45181 47126 1 1 1 1 1 1 1 1 1 1 133.0392 *133.0537* 133.0537@3.598928 1 1 1 1 1221 1249 1 1 1 1 1 1 1 1 1 1 1 2439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6148 4215 133.0537 *133.0723* 133.0723@0.89247847 1 1 1 1 1 1 1 1240 1 1 1 1 1 1 1028 1 1 1 1321 1518 1 1 1 1958 1 1 1 1 1 1 1126 1393 1047 1 1 1 1 1 1 1 1 1019 1024 1 1 1 1 1011 1 1 1 1 1 1 1 1 1 1 1482 1278 1 1 1 1040 1 1 1 1 1 1 1410 1049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1981 133.0723 *133.0763* 133.0763@0.89049846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1882 1 1 1 1 1 1 1 1 1 1 1212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.0763 *133.0951* 133.0951@5.127208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2776 3046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.0951 *133.0992* 133.0992@3.7141361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.0992 *133.1077* 133.1077@0.91001415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2230 1 1 1 1 1 1 1 1 1 1 133.1077 *133.1086* 133.1086@3.037816 1 1 1 1 1 1211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.1086 *133.1091* 133.1091@0.71398675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.1091 *133.1095* 133.1095@1.4913441 1 1 1 1 1 3563 6669 1 1 1 1 1 1 1 1 1 7855 1 10164 1 1 1 1 1 1 4810 1 1 1 1 1 1 1 1 1 1 1 1 2159 1 1 1 1 1 1 1 1 1146 1 1177 1 1 1 1 1 1 1551 1 1 1 1374 1 1 1 1 1 3215 1 1 1 1 1 1 1 1540 1 2922 1 1 1332 1 1 1 1 1 1 1 1 1 5005 133.1095 *133.1095* 133.1095@1.1929684 1 1 1 2686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.1095 *133.1096* 133.1096@1.5282334 1 1 1 1 11520 1 1 1 1 1 1 1 1 1 1 1 1 1 12465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3347 1 1 1 1 1 1 1 1146 1 1 1 2321 1 1 1 2300 1 1 1 1 1 1 1 1 1760 2264 1 1 1 5220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.1096 *133.1097* 133.1097@1.567009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1605 1 1 1 1 1 1 4857 1 1 1 1 1 1 1 1 1 1 1 1 2682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3763 1 1 1 1 1 1 1 1 1 1 1 1 1 133.1097 *133.1097* Bis (2-hydroxypropyl) amine + 1.6169006 1 1 139640 1 1 1 80421 1 1 1 1 99485 111623 1 1 1 1 74359 1 87844 1 85991 78498 1 1 1 1 1 1 1 1 4180 1 12877 1 8935 1 7168 1 1 10226 10834 18415 1 1 15783 10907 8691 1 1 9703 1 1 11575 17583 19102 6111 20537 25441 1 24920 28742 42322 42160 36207 34808 24437 27102 28847 31870 28070 25964 1 28458 1 1 1 21082 16484 18583 15908 1 24271 23915 34537 37245 30390 33456 41081 1 133.1097 *133.1097* Bis (2-hydroxypropyl) amine + 2.961494 8488 8118 9005 8121 8439 6871 6186 7704 8519 8979 8152 8047 8199 9102 8203 8879 8776 7688 7893 8983 8514 8499 7931 8147 8263 9187 7098 8771 8546 7714 6759 8095 8082 8306 6978 7530 8267 8512 7786 8166 7376 8129 7391 7155 6120 5102 5179 6928 6620 5616 5612 4889 5913 6425 4833 5491 5566 5326 5838 5352 5281 4647 5850 6066 5911 6073 5351 5707 5221 5342 6083 6414 6402 5507 5580 4942 6452 4681 5249 6497 5918 6024 4760 6231 4938 6016 4916 5642 5486 5350 133.1097 *133.1098* 133.1098@1.6281884 126085 127804 1 136117 73854 76185 1 84365 105030 104067 93996 1 1 109733 85662 80500 69074 1340 75044 1 87149 1 1 79784 69242 69957 100360 101321 93593 90644 12894 6206 13197 1 1 1 7021 1 16417 18581 1 1 1 12303 10972 1 1 1 16177 16074 1 1 11155 1 1 1 8956 1 1 17750 1 1 1 1 1 1 1 1 1 1 1 1 32296 1 29035 33377 13595 1 1 1 1 17058 1 1 1 1 1 1 1 37668 133.1098 *133.1099* 133.1099@1.1916134 1 1 3488 1958 1 130576 1 1 1 1 156380 1 167826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2141 1 1 1 1 3200 2302 1 1 1 2356 1 1 1 2467 3134 1 2784 3091 2004 1 1911 1 2192 1 1519 1529 1 1725 2159 2510 1899 41642 1 1 1 1383 1 1 1 1 1 1 1 1 1366 1 1 1 1 1 4049 4757 1 1 1771 1 1 1 1 1 1 1 133.1099 *133.1099* 133.1099@5.988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.1099 *133.11* Bis (2-hydroxypropyl) amine 223344 232672 231857 229438 133176 5376 144711 145300 181738 176114 7335 159383 26898 189836 141897 140935 139319 141304 154708 149215 143475 145133 132670 134842 128685 119887 168944 165677 165792 166413 23971 23647 26859 24910 17855 20617 16494 16920 33477 33292 20989 20861 29567 30023 30658 30194 20962 21384 26229 27072 16014 15764 21833 20018 26392 29716 32146 34770 44392 3825 47942 48494 62915 60781 54448 54867 40859 41661 47605 44987 45768 45412 47940 50206 60185 59748 35385 35495 33289 31846 29006 27276 37569 35705 52763 51935 49414 47945 66415 66947 133.11 *133.1105* 133.1105@2.1154876 1 1 1 1 1 1 1 1328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1178 1 1 1 1 1 1 1 1 1 1 1 2226 1 1 1 1 133.1105 *133.1112* 133.1112@2.3829765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.1112 *133.1136* 133.1136@5.925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.1136 *133.1144* 133.1144@1.894871 1628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.1144 *133.9941* 133.9941@2.827083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.9941 *133.9946* C5 H7 Cl S 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2273 1 1 1 1 1 2468 1 1809 1066 2185 1 1 1 1167 1 1 2113 1 1 1 1 2425 1 1 1 2488 1501 1 1 1 1 1 1 2170 1 1 1 1 1488 1 1588 1196 1 1 1 1006 1540 1 1 1137 1322 1451 1 1 1 1877 1508 1 2474 1815 1 1 1 1399 2275 2264 1286 1 1652 1 2167 1710 1 2081 133.9946 *133.9948* 133.9948@10.560634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.9948 *133.9949* 133.9949@0.66401327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1084 1 1 1 1 1 1 1433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.9949 *133.995* 133.995@3.6922417 1 1 1 1 1 1 3336 2972 3201 4735 2710 2520 10147 9341 1 1 1 1 1 1 1 1 4127 4498 1 1 1 1 2581 3554 1 1 1 2360 3066 3638 1 1 1 1281 3489 4266 1 1 1 1 1 1 1 1 1 1 7117 7484 1 1 1 1 3340 3815 1 1 1 1 4514 5171 1 1 1 2117 3712 3533 5143 6928 4349 4889 4485 5038 4412 3871 1 1 1 1 3579 2347 1 1 1 1 133.995 *133.9951* 133.9951@4.6281786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.9951 *133.9952* C6 H2 N2 S 7636 7771 1 1 3085 3200 18384 18135 17668 16374 5942 5497 7904 8069 14734 15214 7780 8461 15700 15666 3007 2848 6919 7166 6652 6284 14162 13455 5260 5895 16789 19631 5812 5666 5775 5265 15541 14431 12306 12985 32252 31861 2251 2684 1 2908 22969 23767 1 3847 11268 11526 28715 30205 1 1 2812 2094 5688 8021 4549 3663 1 1 6553 5893 6907 6463 13814 13850 6322 5916 7541 9296 5810 5389 16850 18323 3972 5376 10376 10779 1 1 6567 6016 1 1 7434 7550 133.9952 *133.9952* 133.9952@5.0283523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.9952 *133.9953* C5 H7 Cl S + 1.3271935 3100 14329 1 4168 4677 10154 1 4700 8903 8798 1 3513 1 5867 1 1 4118 1 1 6389 7550 11824 6978 16920 1 12934 7655 7770 4731 1 6901 2221 2591 1 1 7745 9279 7032 4088 4277 1 12779 1 5722 4061 8123 4185 12914 7022 4653 1 1 15351 16329 13573 3378 5174 6802 17512 20210 6724 1 1 5349 1 6264 13012 2248 5325 1 1 3684 14274 4825 5836 1 7361 1 10486 8581 9705 1 8267 1 1 1 4311 1 1 1 133.9953 *133.9954* C5 H7 Cl S + 0.90044165 2218 2267 2321 2225 3310 2528 3333 3042 2721 2625 2228 1684 2077 2336 1569 1991 2178 2780 1 1703 2705 2681 2303 2590 3005 2065 2155 2333 2222 2278 2248 2852 1 1 2923 2978 2354 2157 2330 1880 2576 2508 2269 2650 1807 2292 3731 3580 2450 2428 2516 1858 2472 2356 2151 2385 1715 2504 2542 2798 2585 2319 2175 1758 2376 2367 2096 1195 1945 1827 1824 1697 3838 3305 2489 2816 2032 2154 2654 3072 1844 2038 2508 2534 1603 1954 1482 1677 2889 2545 133.9954 *133.9955* 133.9955@1.394735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2232 1 1 3092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.9955 *133.9956* C5 H7 Cl S + 1.2762641 6067 1 6245 7229 9765 1 1 8998 1 1 1 7501 8332 6755 1 1 9717 1 1 6595 1 1 11859 1 1 1 1 1 7448 1 5052 7640 9151 8408 1 1 1 9192 7189 6168 6766 1 7782 1 12047 7597 11588 1 2926 13703 9535 1 1 1 1 1 4474 8436 3168 1 5823 1 1 8258 1 8238 1 1 7117 1 1 8763 1 8779 1 1 1 1 1 6056 1 1 1 1 6708 1 7741 1 1 1 133.9956 *133.9956* 133.9956@6.1683135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4461 3838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.9956 *134.0362* 134.0362@11.025774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1493 1 1 1 1 134.0362 *134.0369* 134.0369@11.345179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1472 1 1 1670 1 1 1 1 1511 1517 1488 1 1 1 1 1 1 1541 1 1 1 1 1 1 1 1 1287 1 1261 1 1 1 1 1678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1941 1 1 1 1 134.0369 *134.0389* 134.0389@11.179481 1 1 1 1 1 1 1 1 1564 1 1 1 1 1 1 1 1 1 1698 1 1 1936 1394 1 1 1 1 1 1 1 1273 1 1159 1 1 1 1877 1 1 1 1 1402 1 1010 1 1 1 1 1 1 1 1 1569 1719 1 1899 1020 2023 1810 1 1411 1 1 1 2633 1 1 1 1 1 1 1 1 1 1 1 1753 1 1 1545 1 1 1 1541 1 1 1 1623 1 1 134.0389 *134.0424* 134.0424@11.4086275 1 1 1 1 1 1 1 1 1 1 1347 1 1 1 1 1 1 1473 1 1098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1297 1 1 1 1 1 1 1 1 1 1 1 1965 1 1 1 1 1 1 1 1527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.0424 *134.0544* 134.0544@3.4132478 1 1 1 1 1 1 1793 1 1 1 1 1 1 1 1 1 1 1 2290 1 1 1 1 1 1 1 1374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.0544 *134.0567* 134.0567@1.2480165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.0567 *134.0578* 134.0578@0.9080628 1 1 1 1 1 1 1463 1609 1 1 1059 1 1 1 1709 1 1 1 2185 1946 1725 1 1 2135 1 1 1 1 1 1 1605 1 1 1 1611 1809 2757 2405 1 1844 1992 1 1 1631 1 1 1 1 1536 1 1 1 1943 1690 1 1 1 1245 2589 2309 2011 2504 2555 2337 1 1 1 1 1 1 1696 1 1 1410 1 1 2061 1933 1489 1 1635 1 1 1 1969 2050 1 1 2702 3114 134.0578 *134.0579* 134.0579@2.3016188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22937 12998 1 1 1 1 1 1 1 1 1 1 134.0579 *134.0579* 134.0579@0.7060082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1375 1 1 1735 1 1113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2575 1 1 1484 1 1 1 1 1 1 1 1 1 1 1 134.0579 *134.061* 134.061@6.011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.061 *134.0613* 134.0613@6.074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.0613 *134.0653* 134.0653@5.6712756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3377 1 1587 1 1 1687 1 1 1 1 2302 1 1 134.0653 *134.0758* 134.0758@3.8322802 1282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.0758 *134.0813* 134.0813@3.6567764 1466 1 1 1 3145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.0813 *134.0847* 134.0847@3.8043084 1 1394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1339 1 1233 1 1 1 1 1 1 1196 2406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.0847 *134.0857* 134.0857@3.6111364 3393 1272 1 1 1 3152 1939 1 2348 1 2652 1 1066 1 3196 1 1 1204 1277 1353 1 1 1 1 1897 1776 1538 1 1 1 1 1 1139 1 1 1301 1 1 1329 2094 2020 1 1 1 1446 1 1 2318 1 1 2147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1209 1 1 1 1 1 1 2028 1 1 1 1 1 1 1 1 1 1395 1 1 1 1 1 134.0857 *134.0872* C8 H10 N2 1 3618 1 2122 1 1132 1 1 1 1 1 2550 3105 1 1 4366 1 1 4044 3546 1 3659 1894 4239 1 1 4292 1 1430 1461 1650 1 1130 1 1640 1 3018 2145 1 1325 1 1498 2387 1887 1 1 1 1 2585 1 1 2603 1277 1 1 1 1 1 5181 5086 1964 1775 2346 1 1110 1 1 2789 1957 1610 1 1 1 1 3470 3152 1 1 1359 1553 1019 2006 1982 1 1 3272 1 1315 1 1 134.0872 *134.0886* 134.0886@3.8095894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.0886 *134.0887* 134.0887@3.9433084 1145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.0887 *134.0914* C6 H14 O3 + 3.696148 1 1 1 3958 1 1 1 1159 1 1 1 1 1 1 1 1 1 1 1 2622 1556 1 1 1 1794 3676 1 3803 1 4259 2062 1 1 1 3886 4660 6540 5214 1 2292 1 1 1 1 3190 3112 1700 1 1 1 6130 5431 1412 1 1 1 1 1 1 1 2897 3740 3986 17405 1278 1 3493 1 4421 5026 1 4654 1 1 1 1 1 1 1 2454 10806 1 1 1 1 1 1 1 1 3747 134.0914 *134.0934* C6 H14 O3 9207 11771 6767 9653 8596 10005 12162 12980 6936 9710 7960 9444 11302 8403 10515 11462 10731 11092 7856 8462 12929 11429 13332 12434 22160 21409 9951 5399 12345 15889 18689 16795 9230 9486 14367 14861 19137 16198 10654 9039 7668 7452 10850 13163 4591 7975 8460 9813 8839 8160 19088 16703 22575 19588 19917 20811 5738 18113 16670 15782 15564 13844 14174 20063 19220 17345 15524 14769 18367 22241 15916 12052 17409 17303 9670 8960 18201 17243 24064 21094 15690 17611 17652 18416 18766 18935 18709 18123 20103 23421 134.0934 *134.0939* 134.0939@3.5417087 1 1 1 1 1 1 1 1 1 1 50378 51550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88935 90949 1 1 17203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13400 1 134.0939 *134.094* 134.094@3.6655762 1 1 1 1 1 1 1 1 1 1 151966 117196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1955 1 1 1 1 1 1 11739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227508 222811 1 1 46478 47594 1 1 33573 34686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32555 33536 134.094 *134.1063* 134.1063@5.354085 1 1 1 1 1 1 1 1 1 1 1 1 1381 1311 1 1 1 1 1728 1625 1 1 1 1 1 1 1283 1 1329 1255 1 1 1 1 1 1 1 1 1 1 1 1 1 1147 1 1 1 1 2713 2149 1769 1408 1 1 1 1 1 1 2808 2878 1 1 1 1 1 1 1 1 3404 3673 1 1 1 1 2638 2242 1 1 1496 1129 1 1 2042 2145 1 1 1 1 1 1 134.1063 *134.1078* 134.1078@4.8199673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3309 3170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.1078 *134.108* 134.108@9.617426 1 1 1 1 1326 1060 1291 1676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.108 *134.109* 134.109@4.2719936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2595 2781 1 1 1 1 1 1 1 1 12595 11792 1 1 1 1 1 1 1930 1845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.109 *134.1092* 134.1092@9.600102 1 1 1 1 1 1 1900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.1092 *134.1109* 134.1109@1.65797 1 1 1 1 1 1 1 1 1 1876 1 1 1 1 1 1 1 1 1 1 1 1975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.1109 *134.1111* 134.1111@1.5614419 1 1932 1 1 1 1887 1 1 1621 1214 1 1944 1 1 1 1 2805 1 1 1 1 2131 1 1 1 1 1165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1607 1 1 1 1 1 1 1 1 1 1355 1 1 1 1 1 2219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.1111 *135.0328* 135.0328@2.7392175 1 1 1 18482 20185 23155 1 1 1 1 37333 33285 1 1 1 1 1 1 1 35664 1 1 1 1 1 1 28202 1 1 1 1 1 25384 31670 1 1 1 1 1 30047 1 1 11139 19902 1 1 1 1 54550 24174 19532 36686 1 24323 1 1 37837 39950 1 1 1 1 1 30571 28052 1 50222 54152 1 1 39738 17683 1 1 26370 13614 1 1 1 1 30806 19488 16212 1 24126 1 1 20902 1 1 135.0328 *135.0343* C7 H5 N O2 1 1 3185 1 3449 8302 8777 1 8361 11883 13393 4369 1 7647 8803 1 9886 8183 1 6048 1 1 1 5068 1 6912 12817 1 1 5514 1 1 13813 9246 1 5136 1 1 4865 16305 1 6226 4335 2597 1 10969 1 1 11182 1 6233 1 21864 4879 16306 8150 5760 1 1 1 7435 1 30399 19214 1 28268 18750 6311 1 1 1 10316 8819 9010 1 8169 1 1 11257 7070 9740 7735 7538 1 10178 15338 8216 3661 1 1 135.0343 *135.035* 135.035@2.7919796 1924 1 1 1 1 1 1 1 1 1 1 1 6870 1 1 1 1 1 1 1 1 1 4006 1452 1 1 1 1 1 1 1 1 1 1 1 1 1 2280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6085 1 1 1 1 1 1 1 1 1 1 1 2436 135.035 *135.0361* Homocysteine 5481 4291 1 6780 6849 1 7178 1 8744 5768 1 1 1120 1 3050 1 3509 4112 1 1 3122 1 2382 1602 1 4288 4380 1 3678 4111 2168 3801 1 1 1 1464 1 1 1 1 1 1 1 5989 1 4617 1 3339 1 1150 1 1 1 8053 1 3906 1996 1 1 1 1 4770 1 1 1 1 1 10876 1 1 1 1 5139 4424 1 1 5366 4530 4142 1 1 1 1 1 1 8665 1447 2549 5859 6333 C00155 135.0361 *135.041* 135.041@1.1006093 1 1 1 1 1 1 1 1 3944 6182 1 1 1 1 1 1 1 1 1 1 1 1 432578 1051 1 1 2381 1 1 1 1 5109 5646 1 1 1 1 1 1 1 346511 1 1 1 1 1 1 1 1 1 1 1 1 1 448579 433006 8806 1 1 1 1 4667 1 14207 1 1 8709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5936 1 1 135.041 *135.0415* Creatinine + 1.1800067 1 8075 6862 5496 1 7988 5199 5176 7826 1975 7924 7130 6002 6295 1 4372 5519 5811 6720 6032 1 8377 9273 12154 1 10562 5055 5779 8774 11425 8622 9351 1163 7323 1 1 1 1 6216 6100 7289 6487 8068 7687 7325 1280 11464 10887 12620 15905 9572 1 1 12326 9683 1413 8874 8124 11764 1 19516 8279 15225 11336 7743 9511 5460 11554 9010 18851 9606 9841 1 9030 8285 10556 1 9997 5904 5376 11514 10416 1 10745 1 1 1 8644 11217 12103 HMDB00562 C00791 135.0415 *135.0417* 135.0417@5.124208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3697 2370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.0417 *135.0427* C6 H5 N3 O 2638 1 1 1 1 1378 4204 3261 1 3012 2879 2694 2075 1 4033 3272 3291 3276 3381 4114 1 1 3032 2933 2447 2277 3777 3237 2019 1642 4378 3471 1923 1932 2516 2240 3840 4537 3987 3879 5258 4984 1382 1 1 1 4557 3243 1950 2042 3323 3034 4062 5616 1 1 1 1 2793 2766 2329 2102 1 1 2730 2910 3228 3178 3465 5260 2765 1 1956 3116 3563 2419 5252 4616 2233 2320 3380 3889 1 1 2256 2842 1311 1686 3326 1 135.0427 *135.043* C5 H10 Cl N O 1 1 1 1 1 1475 1909 1855 2952 2742 2892 2972 3103 4361 2267 1 1 1 2306 1 1 2130 1 2653 1 1 1 1 2979 2328 1 1 2237 1960 2193 2722 1 1 2345 2207 3720 2852 1 1 1 1 1 1 1 1 1 1 3768 3940 1 1 1 1259 4275 4703 2099 1 1 1 4010 4115 1 1 2223 2376 3586 3296 4407 1 3019 3335 4702 4316 3709 3132 1909 2857 1 1590 3100 3446 2562 2815 1 2119 135.043 *135.043* 135.043@6.1688137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2470 2745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.043 *135.043* 135.043@2.9603958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2439 1 1 1 1833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1604 1 135.043 *135.0433* 135.0433@1.3557359 1 1 1 1 1 1 1 1 1 2038 1 1 1 1 1 1 2028 1 1 1703 1 1308 1 2608 1 1 1 1 1 2068 2062 1 1644 1337 1163 1 1 1098 1 1 1 1338 1127 1938 1983 1528 1815 2603 5181 1 1476 1 1 1090 1 1090 1707 1 1981 2211 1 1 1535 1 1 1 2624 1 1349 1999 1 1 1 1247 2375 1 1873 1 1 1 1984 2582 1 1 1 1 1 1 4235 2161 135.0433 *135.0436* 135.0436@1.3877733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1113 1 1 2486 1 1 1 1 1 1 1 1 1 1 2001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1898 1 135.0436 *135.0438* 135.0438@2.2537835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1757 1 135.0438 *135.0444* 135.0444@2.016054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.0444 *135.0456* 135.0456@1.4407161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1856 1 1 1 2988 1 1 1 1 1 1 1 1 1 1 1137 1 1 1939 1 1 1 1 1 1 1 1 1781 1 1 1 1 1 1 1 1 1250 1 1 1 1 1 1 1 1 2560 1 3098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1377 1793 135.0456 *135.0478* 135.0478@1.8180263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1111 1 1 1030 1 1 2049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1318 135.0478 *135.0489* 135.0489@1.2580009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.0489 *135.0527* 4-Hydroxy-L-threonine 1 1 1 1 1 1 1 1 1 1 1 1 1 2004 2333 1601 1 1 1 1 1 1727 1540 1 1653 2236 1 1 1 1 1304 1 1 1 1 1741 1 1 1 1 1050 1 1 1 1 1 1 1 1 1 1479 1254 1565 1471 1804 1 2478 2379 1599 1662 1 1 1 1 1 2450 1 1 1 2246 1 1 1 1 3591 1248 1143 1007 1 1 1 1435 1 1 1 1090 1 1377 1471 1 C06056 135.0527 *135.0554* 135.0554@1.7925246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2093 1 1 1 1 1 1 1 1246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.0554 *135.059* 135.059@1.4774971 1 1 1 1 1 1 1 1 1 1 1 1 3687 1 1 1234 1 1 1 1344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3388 1 1 1 1 1 1 1 1 1 1 1 1 1230 4149 1 1 135.059 *135.0607* 135.0607@4.049272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1166 135.0607 *135.0613* 135.0613@1.7909262 1692 1 1 2551 1 1 1 1 1 1 1 3044 1 1643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2645 1 1 1 1 1 1 1 1 1 2267 2911 2419 1 1 1 1 1 1 1 1 1 1 1117 1 1018 1 1 1 1 1 1 1 1 2962 1 1 1 1 2999 1 1 3445 2335 3993 1 1624 1844 1552 1 1 1 1 1 1 1 2578 2921 1 1 135.0613 *135.0622* 135.0622@4.102048 1 1 1 1965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9678 1 1 3125 1 1 1 1 1 1 1 1286 1 1100 1 1 1 1 1 1 1 1 1 1 1 1 2494 2792 1 1 2394 4380 3828 3680 1 3991 1 1 2558 1 1 1 1 2564 3149 3265 1 1 1 1 1 1 1 2978 4238 1 1 2210 1 2431 1 4495 135.0622 *135.0658* 135.0658@4.6983504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4505 5548 1 1 1 1 1 1 1 1 1 1 135.0658 *135.0664* 135.0664@4.062123 1 1 2820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4208 3093 1 1 1 1 1 1 1 1 135.0664 *135.0852* 135.0852@3.2878096 1 1 1 1 1 1 1319 1497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1194 1257 1 1 1 1 1 1 1 1 1 1 1 1017 1 1 1 1 1 1 1 1 1 1029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.0852 *135.0937* 135.0937@3.926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.0937 *135.1387* 135.1387@0.97518265 8063 7981 6305 6559 4633 4447 6728 7096 8011 7872 6865 6283 7149 7025 8786 8447 7093 8165 7081 7251 6422 7139 7870 7457 6309 6340 5734 5839 6986 7253 6154 6182 5500 6027 7010 7118 8186 8038 6361 6386 6224 6226 6418 6982 7750 7454 9550 9248 8553 8714 7380 7074 7908 7460 8647 8309 7159 6827 8443 7733 8414 7930 7430 7194 5948 6305 6202 6918 6594 6616 7300 7133 5833 6073 5371 5204 7512 7121 12678 12230 6742 6782 7017 6427 6362 7009 5025 5096 7175 6788 135.1387 *135.1762* 135.1762@0.9753865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1548 1 1 1 2121 1 1 1 1 1 1 1 1 2733 1 1 1 1 1 1 1973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2059 1 1 1 1 1 1 1 1 1999 1 1 1 1 1770 1 1 1 1950 135.1762 *136.0377* 136.0377@1.2500184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0377 *136.0382* Hypoxanthine 33923 31991 19612 18512 22209 23887 25839 37625 20531 22499 29165 30356 27654 27485 30598 33608 24552 24027 22970 23359 23240 23049 29039 33094 24100 23516 12263 10598 24631 21822 20188 20505 16957 18163 25488 26263 29740 27972 49687 49291 33169 32485 17197 15300 23535 23112 23439 24622 26179 25271 17454 21320 28150 27882 30917 29049 17521 18341 31859 31887 25804 25103 20868 20739 20400 21043 22455 1237 19136 21919 25567 23481 23578 22591 17233 13690 21958 19889 27305 30228 20911 21128 21434 22352 27117 27060 14740 19741 22978 22703 HMDB00157 C00262 136.0382 *136.0385* Hypoxanthine + 1.5465705 70842 67631 27551 14865 7945 55855 4683 8782 28548 7239 70650 27814 50553 51294 68567 71169 55216 51902 52048 58671 51597 51924 76429 79600 41639 29573 19980 3554 41696 41959 44084 45704 20353 26242 56756 59409 71985 37343 87373 89038 74742 71544 5677 11804 36118 34269 58238 55706 59778 58723 49330 43257 67713 44953 87335 53744 17335 5270 31975 73830 60658 60093 58298 37825 49823 19025 57129 38247 7080 31356 55930 59021 49788 47095 1 5205 32240 6699 89724 87344 50051 50911 54670 52578 68657 69392 10022 4380 51289 55543 HMDB00157 C00262 136.0385 *136.0387* 136.0387@2.8904645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1642 1 1 4806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0387 *136.039* 136.039@1.4660051 1 1 1 1 1 1 2435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1694 1 1 1 1 1 2447 1 1 4586 1 1 1 1 1 4152 1 1354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1077 1 136.039 *136.041* 136.041@2.960982 2093 1854 1 1 1 1 1427 1582 1743 1960 1599 1749 1660 1553 1409 1423 1642 1369 1515 3455 1746 1093 1416 1 1244 1631 1 1 1654 1473 1400 1408 2223 2202 2018 2365 2329 1785 2010 1422 2894 2277 1876 1191 1328 1520 1496 1321 2282 2447 2268 2713 2324 1480 2257 2732 1681 1 2245 2685 1924 1787 2289 2030 1 1390 4706 1905 2407 1 2055 1737 1 1720 1682 1882 1934 1700 3876 2523 3526 2112 1733 1966 3680 2576 2215 1 1559 1475 136.041 *136.0412* 136.0412@1.5109959 1 1 1 1 1 1 1577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1217 1065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0412 *136.0441* 136.0441@0.9909965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0441 *136.0451* 136.0451@1.0292065 1 1 1 1 1635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1748 1 1 1 1 1 6582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7524 1 1 1 1 1 1231 1757 1 1 2555 1 1176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5757 1 1 1 1 1 1 1 1 1841 136.0451 *136.0534* 136.0534@1.0284282 1 1 1 1 1 1588 1 1 1 1 1 1 1128 1 1 1 1 1 1332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1297 1 1 1 1 1 1886 1 3354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5323 1 136.0534 *136.0536* 136.0536@8.976741 1104 1 1347 1 1 1 1 1 1 1038 1 1 1 1 1 1009 1134 1 1193 1 1 1 1 1 1 1075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0536 *136.0554* 136.0554@0.9350136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0554 *136.0615* 3-Amino-2-piperidone 10301 10080 10499 10391 9389 9601 10262 9830 9834 10180 9498 9607 10405 10592 10221 10291 10342 9687 9645 9634 9151 8957 9506 9439 8833 9527 9724 10863 8840 9038 9677 9349 10002 9660 10488 9345 9374 9570 9319 9391 8922 9349 10695 9942 8803 9013 9485 9649 9313 9300 8363 8935 9355 9602 8145 9365 9648 8976 9440 9811 9299 9639 10475 9009 9335 9974 8988 9407 9170 8774 9154 9198 9246 8907 9300 9423 9251 9056 9034 9724 8511 9144 9903 9517 9138 8947 8915 8962 9425 9486 HMDB00323 136.0615 *136.0621* 136.0621@0.92700255 1 1 1 1 1 5109 1 1 1 3231 6952 6007 4522 1 1 1 1 5105 1 1 1 1 1 1 1 1 1 1 3929 4573 1 1 1 2287 2357 1 1 1 5158 1 1791 1 1 1 1 6599 1 1 1 1 1 1 4428 1 6693 1 1 1 1 1 1 7684 1 1 1 1 1 1 1 1 1 1 5904 1 1 1 3111 1 1 1 1 4920 1 1 1 1 1 1 1 3236 136.0621 *136.0626* 136.0626@0.92214286 1 1 1 1 1 1 1 1 1 1 1 1 1 2693 1 1 4506 1 1 1 1 1 1 1 1 2168 1 1 1 1 1 1 1 1 1 1 1 1 1 3941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3005 1 2881 1 1 1 1 1 1 1 1 1 1 1 1 1994 1 1 1 136.0626 *136.0677* 136.0677@6.087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0677 *136.0719* 136.0719@3.4061866 1 1 1 1 1 1 1 1244 1157 1 1 1 1 1 1 1035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1260 1 1 1 1 1 1 1 1 1577 1600 1 1 1 1 1 1139 1 1 1 1 1 1051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0719 *136.091* 136.091@6.001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.091 *136.1239* 136.1239@7.533584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.1239 *136.1248* 136.1248@5.474468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2191 1662 1 1 1 1 1 1 1 1 3044 3148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.1248 *137.0443* Proline 1 1303 1027 1077 4881 4534 1273 1306 1076 1100 1087 1102 1 1 1 1164 1040 1197 1 1051 1125 1117 1021 1 1 1035 1 1 1013 1 1078 1191 1167 1 1 1140 1411 6943 1 1 1002 1 1 1 1 1 1 1 1 1032 1 1051 1148 1031 1131 1208 1334 1238 1 1 1026 1437 1278 1212 1 1 1112 1067 1162 1148 1 1 1 1 1 1 1070 1 1 1 1 5244 1108 1027 1056 1 1 1 1194 1113 HMDB00162 C00148 137.0443 *137.0449* 137.0449@1.2540329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.0449 *137.0453* 137.0453@2.1632879 1 1 1 1 1 2956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1602 1 1 1 1 1323 1 1 1 3511 1 1 1 1 1 1 1 1 1 1 1786 1 1 1 2155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11766 1 1 1 1 1 1 1785 1 1 1 1 1 1 1 137.0453 *137.0456* 137.0456@1.8080267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5120 1 1 1 1 1 1 4681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1886 2785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.0456 *137.0464* 137.0464@1.9858538 1 1 1 1 1 1076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1764 1 1 1 1 1 1 1 1 1 1 1 1097 1 1 1 1 1 1 1 1932 1 1 5278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.0464 *137.0466* 137.0466@1.4800426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.0466 *137.0475* p-Aminobenzoic acid + 0.94484663 12255 12150 12991 12338 194161 199659 15059 14612 6264 11817 24419 23434 21618 22746 1 1 19970 22690 16235 1 3737 3939 6930 6913 2663 1 1 4939 5399 2032 1 3509 1 9016 14082 15024 2732 3173 16061 16122 21340 22705 5500 1 9223 9549 17393 16612 1 5971 1 1391 41191 36511 1 4299 11896 12043 9253 10391 16643 16387 6721 7610 26160 26935 11687 11918 74590 76630 13817 18748 11617 11258 16286 16653 21018 22071 15344 1 3837 3603 1 1 16747 16953 32566 30387 7859 8405 HMDB01392 C00568 137.0475 *137.0483* 137.0483@0.9339875 1 1 1 1 1 1 1 1 7297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.0483 *137.0536* 137.0536@0.93103385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1175 1 1 1 1 1 1 1 137.0536 *137.0587* Isoniazid 1 1 1 1 13059 13250 4588 3187 11739 11498 6833 8879 28405 27198 3611 3720 1 1 3025 3109 4850 4426 9187 8060 1 1 1 1 7834 7594 1 1068 5722 6658 3491 4347 1 1197 2640 2813 9191 8652 1 1 4714 5061 1 1 1 1 2351 2534 20566 19355 3568 3882 5832 6692 8420 7268 1338 1348 1 1 8229 7235 1 1 2837 3084 9183 10399 7287 7648 13454 13241 9836 9646 10082 10774 4732 5457 2554 3103 11313 12088 5143 4950 5433 5470 C07054 137.0587 *137.0594* Isoniazid + 3.4042652 1217 1 1 1 1 1 2483 4426 2465 2135 1 1 1 1 1936 2089 1291 1165 1907 3554 1 1 1 1 1 1 1675 2046 1 1 1931 2441 1 1 1 1069 1580 1763 1729 1443 5900 6570 1 1 1 1 2254 5346 1 1 1361 1125 3263 7127 1 1 1 1 1 1 1 1 1 1 1 1 1295 1 2109 1937 1 1 1 1177 1 1 2142 1929 1 1057 1 1 1 1 1 1 1 1 1 1 C07054 137.0594 *137.0633* 137.0633@3.399455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1449 1272 1 1 1 1 1 1 1 1 137.0633 *137.0677* 137.0677@3.405402 1 1 1 1 1 1 1 1 1 1 1 1 1826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1164 1229 137.0677 *137.0813* 137.0813@3.4219673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.0813 *137.0817* 137.0817@1.2410203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2248 2868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.0817 *137.083* 137.083@4.0634623 1 1 1 1 1 1 1 1 1 1 1990 1627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.083 *137.0833* 137.0833@4.6879325 1 1 1 1 1 1 4784 5002 1 1 7459 7414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1973 1855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2306 1926 1 1 1 1 1 1 1 1 1 1 4280 3904 1 1 1 1 3752 4145 3912 3446 1865 1686 3458 4105 1 1 1 1025 1 1 1 1 2161 1988 1 1 2082 2007 1 1 137.0833 *137.1471* 137.1471@1.0044742 1 1 1 1 2588 2921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.1471 *137.8989* 137.8989@0.9133007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16433 1 20033 1 1 1 1 1 1 1104 1 1518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12003 1 1 1 1 1 1 1 1 1 1616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.8989 *137.899* 137.899@0.8501931 73037 74546 75250 74659 72278 74319 70613 71606 72193 73559 71562 72484 76786 74776 74056 76305 76351 73962 73481 73286 57149 73439 56163 76242 74028 72931 77888 76172 74613 73163 74693 71750 75032 75206 74927 74208 75099 74299 74588 73262 72341 72688 73344 72747 72154 75108 59614 70487 77775 79383 72566 70861 73544 11240 70443 69731 71376 70999 73701 73959 68900 70897 70970 68711 70854 72655 72238 74118 69943 74498 75402 74907 69984 66629 73936 72751 71686 72713 71461 70219 72206 73571 76982 73241 71882 70403 71920 72476 71211 70392 137.899 *137.9953* C6 H2 O4 2515 2167 3600 3136 2712 2166 2117 2295 2630 2710 2440 2900 4376 3740 3152 3369 2557 2366 3462 3285 3316 3728 1649 1428 3539 3890 4214 4554 1458 1636 2291 2472 2525 2614 2853 2519 2669 2696 3717 3414 3367 2640 4010 4346 2425 2317 2618 2567 2146 1988 2605 3330 3272 2715 1416 1451 3445 3041 2505 2241 2893 3069 2346 2360 2276 2468 2252 1867 2624 2129 2095 1740 2788 3218 4012 4298 3295 3265 2813 2589 1391 1852 3672 3643 2853 2778 3804 3613 2365 2098 137.9953 *138.0336* 138.0336@4.573261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2126 2150 1 1 1 1 1 1 1 1 1360 1887 1 1 1 1 138.0336 *138.043* 138.043@1.1997676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1616 1 1 1 1 1 1 1 1 1 1 1 1 1 4273 4152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3385 1 1 1 1 1 1 1 1 1 1 1 138.043 *138.0432* 138.0432@1.3270004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9476 10000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0432 *138.0436* 138.0436@1.7990375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9818 9140 1 1 2329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0436 *138.0437* 138.0437@2.9622502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 1061 1 1 1 1457 1205 1 1516 1259 1587 1 1175 1283 1 1 1 1 1 1 1 1 1 1 1 1 1261 1262 1 1 1 1010 1 1 1126 1 1 1105 1 1272 1 1 1 1 1239 1 2029 1 1 1 1239 1 1 1 1026 1 1 1 1 1 1013 1 1072 1 1 1 1 1 1 138.0437 *138.0452* 138.0452@1.6560011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1135 1068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0452 *138.0466* 138.0466@2.970495 1 1 1 1 1279 1 1444 1 1 1 1170 1384 1 1 1 1 1 1451 1433 1 1287 1 1 1 1485 1 1 1 1 1 1 1 1 1 1 1164 1471 1 1197 1 1 1 1267 1 1 1 1015 1 1 1117 1 1193 1 1218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1234 1 1 1 1 1 1 1 1 1 1 1 1134 1 1 1 1 1 1 1 138.0466 *138.0476* 138.0476@1.2652258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1528 1 1 1 1 1 1 1026 3934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1527 1 1 1 1 1 1 1 1 1 1 1 1439 1 1 1 1 3908 1 1 1 1 1887 1 1 1 1 1 1 1 1 1 1 3448 1 1 1 1005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0476 *138.0682* 138.0682@4.6874905 1 1 1 1122 1 1 25952 5087 1 1 36193 7679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1801 10355 1 1 1 1 1 1 1 1 1 1 1 1 1 4289 12807 12911 1 1 1 1 1 1 1 1 1 1 20032 21128 1 1 1 1 17802 19571 21485 19673 2049 2015 3321 18931 1 1 1 1284 1 1 1 1 1828 10677 1 1 9575 9428 1 1 138.0682 *138.0714* 138.0714@3.8314037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0714 *138.0859* 138.0859@1.2415204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1698 1520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0859 *138.1104* 138.1104@5.0298796 1 1 2549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.1104 *138.1121* 138.1121@4.1578255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.1121 *138.1138* 138.1138@5.0295525 2643 2205 1 2518 2328 2595 2323 2105 2200 2514 2336 2055 2767 2325 2691 2319 2635 1 2422 1 2217 2385 2199 2255 2132 2416 2137 1838 2236 2002 1 1 2263 2050 2109 2060 2440 2256 2230 2239 2216 2183 2626 1715 2396 2528 2006 1 2149 2209 2320 1782 2209 2417 2363 2291 1045 2022 2412 2019 2144 1 1932 1988 2039 2250 2074 2198 1411 2056 2033 1747 1 1 2517 1850 2279 1 2377 2293 1857 1956 1887 1 2169 1591 2207 1770 1960 1 138.1138 *138.9943* C5 H2 Cl N3 6970 6729 9029 8334 8123 8376 7273 7972 8622 8227 8230 8083 5030 5376 6807 6693 5042 4940 7106 8049 7358 7212 8481 7973 7641 6507 7546 7401 6191 6358 13193 14073 11309 11838 10437 10401 12312 12013 9768 9900 9256 8406 9205 9228 10276 10485 7178 7324 8350 7397 7568 8193 7746 8055 6060 6804 8648 7576 8622 8520 7635 7690 7477 7862 12907 12200 8656 8976 11531 12035 8282 9087 8642 8982 9648 9539 9617 9538 9611 9243 7164 7015 6395 7158 14983 15533 10279 10448 5071 5147 138.9943 *139.0225* 139.0225@1.2242764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1676 1 1 1 1 1 1 1 1 1 1 1 1200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1296 1 1 1 1 1 1 1 1 1 1 1103 139.0225 *139.0232* 139.0232@1.2150141 1 1 1 1 3213 3631 1 1 1 1 1 1 1 1 1589 1542 1 1 1 1 1 1 1 1 1 1 1 1 1946 1820 2278 1825 1 1171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2713 1176 1 1 1 1 1 1 1 1 1 1 139.0232 *139.0604* 139.0604@1.9989803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.0604 *139.0607* C7 H9 N O2 + 0.96046144 1 1 116945 1443 104987 105587 151580 149998 1 1 1 125284 1 1 1 1 1 1010 1 1066 113749 116864 39902 40376 129038 128739 1676 117209 72532 72061 1 82714 1637 1 89017 87019 1 1 1 1 1 1 18360 1 1 1 100423 99044 1 3572 63394 1 85092 85525 2115 1 1 102750 2019 93643 1114 1 1 1200 1209 69370 72737 75077 1246 1 111695 109217 144974 1105 102101 99115 22210 1 11662 1056 55284 1 1 1 13955 82322 1 1 9408 83161 139.0607 *139.061* 139.061@1.1831192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21699 14549 1 1 8709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17187 1 1 10555 9161 8408 1 1 1 12068 1 1 1 1 1 1 9697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.061 *139.0615* C7 H9 N O2 1 4242 2607 2970 3080 1 1414 1 2664 1568 2843 2931 1 1 1327 1 1434 4037 1509 2345 3997 1 2389 2503 2642 3495 3377 2685 1 3329 1702 1206 3433 1092 2543 1 1320 1 2462 1609 1692 2372 1 1 1 1909 1904 1522 1735 2149 1976 1436 1896 1 1947 1 1686 1 1 1 1 1 1951 1 1 2532 3654 1965 1143 2838 1 1020 1790 1 1513 1036 2545 1357 1392 1 1 1987 1375 1 1 1799 2064 1047 1 1032 139.0615 *139.0615* 139.0615@5.05333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2241 1 1 1 1 1 1 1 1 139.0615 *139.0615* 139.0615@4.2198157 1 1 1 1 1 1 1 1 1793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.0615 *139.0624* 139.0624@1.0263053 1 1 1 116501 1 1 1661 1177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120377 1 1570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1215 1 1 1 1 1 1 1 1 1 1 1 1 1219 1 1 1 1 1832 1 1 1 1 1 1 1598 149127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.0624 *139.0626* 139.0626@1.9360352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1059 1 1 1 1 1 1 1201 1099 1309 1 1 1 1 1 1 1 1 1 1182 1 1 1916 1 1 1179 1 1 1 1649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1236 1 139.0626 *139.0626* 139.0626@1.0960045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.0626 *139.0632* 139.0632@0.67099684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.0632 *139.0633* 139.0633@3.3608654 1 1 1 1 1 1 1 1 1661 1 1 1 1 1 1 1 1225 1 1 1 1 1 1 1 1 1 1 1168 1 1 1485 1 1 1 1 1 1 1 1370 1106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1124 1 2366 1 1 1 1 1 1 1 1 1 1 2129 1 1 1 1 1 1 1 1 1 1 1 139.0633 *139.0639* 139.0639@5.848424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1254 1 1 1 1 1 1 139.0639 *139.0684* 139.0684@1.2370465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1409 1 1 1 1 1 1 1 1 1 1 139.0684 *139.0943* 139.0943@3.9826791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1186 1355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1517 1 1 1 1 1 1 1 1 1 1845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1121 1 1013 1 1 139.0943 *139.0945* 139.0945@5.6776247 1 1 1 1 1 1 1048 1632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1194 1 1 1 1 2671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2321 1 1 1 1 1 1 1 139.0945 *139.0978* 139.0978@5.65646 1 1 1 1 1 1 3825 3264 2649 2203 16193 16494 4847 4802 1 1 1 1 1225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5392 1 1 1 1 1 1 1 1 1 1 1 1 2359 1 1 1 1 1636 2501 4172 3038 3599 3350 12281 11650 1 1 1 1 1 1 1 1 1 1578 1 1 1478 1 1 1 139.0978 *139.0991* 139.0991@3.983892 1 1 1 1 1 1 9892 9752 3209 3230 7564 8306 4065 4206 1 1 1 1 2393 2949 14080 14185 1 1 22303 21997 1 1 1 1 1 1 1 1 2925 2907 2306 2027 1 1 1691 1588 1 1339 1 1 1 1 1 1 19435 18491 1 1500 1542 1 1 1 1 1 2586 2679 1 1 1676 1782 1732 1813 4511 3803 1 1019 1 1 1 1 1 1 3179 3711 1 1 1307 1 1133 1 1 1 1 1 139.0991 *139.16* 139.16@0.9092078 1 1 1565 1690 1286 1719 2530 2448 1 1 1638 1984 1 1 1266 1 1286 1 1235 1181 1825 1582 1 1 2113 2328 1977 1722 1020 1 1214 1227 1 1 1 1047 1079 1 1537 1477 1734 1383 1 1 1 1 1504 1514 1 1 1 1 1045 1301 1 1 1360 1692 1348 1522 1514 1603 1 1 1 1 1002 1119 1 1 1785 1762 2451 2546 1567 1467 1321 1402 4255 4486 1 1 1787 1 1313 1022 1328 1029 1026 1 139.16 *139.896* 139.896@0.86018157 48142 45799 1 48159 46919 1 1 45577 1 1 1 1 1 48643 48233 47826 1 1 47444 45737 1 1 49602 1510 46767 1 1 1 1 1 47800 1 48550 48468 1 3558 1 49045 1 48309 1 1 47372 1 1 1 45182 1 49248 48752 1 1 1 1 1 45586 27255 1 1 1 1 45124 9867 1 1 1 1 1 1 1 1 3663 1 1 1 1 1 1 1 1 46665 47070 1 47258 1 1 16299 9309 1 1 139.896 *139.8961* 139.8961@0.8487255 1 1 48838 1 1 49183 45603 1 47270 47105 46764 48055 49764 1 1 1 46615 47778 1 1 46788 48041 1 47738 1 46482 48998 48768 48391 47476 1 46455 1 1 49313 45367 47179 1 48870 1 46983 46644 1 47559 45283 47597 1 44621 1 1 46940 46546 48659 48411 44000 1 19186 44992 47472 47796 44526 1 36771 46751 45668 45756 48298 47789 46486 46987 48281 45382 47225 46466 47512 47196 47844 47041 46632 44401 1 1 47971 1 45550 45330 29242 36927 43354 46037 139.8961 *139.97* C3 H5 Cl O2 S 1 1 1420 1643 1160 1089 1174 1296 1 1 1 1892 1 1 1 1 1 1 1 1 1247 1058 1 1 1146 1436 2636 2195 1087 1375 1266 1576 1 1252 1257 1166 1082 1 1177 1345 1 1 1 1 1286 1240 1321 1 1 1272 1138 1 1 1 1560 1356 1377 1 1018 1010 1431 1116 1 1479 1 1030 2949 2960 1271 1212 1247 1087 1190 1391 1 1 1462 1255 1557 1637 1336 1267 1399 1387 1642 1991 1979 2153 1 1 139.97 *139.9965* 139.9965@1.1248538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2100 2272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1470 1321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1710 1594 1 1 1 1 139.9965 *140.0104* 140.0104@1.1276249 3167 3843 1 1 1 1 19678 19820 9978 9100 10411 9402 6424 6254 1 1 17460 17886 15794 14643 1 1 1 1 1 1 9529 8893 1 1 1 1 14837 14473 1 1 1 1 7763 8953 8598 9416 16091 16460 14928 13829 5647 5891 4436 4274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.0104 *140.0452* C7 H8 O3 2441 2711 4687 4505 7718 6304 12457 11867 4412 5083 5558 5093 4441 3782 3724 3504 2464 2905 3327 3501 2851 3204 9230 9985 3383 3764 3518 3205 5162 4709 4977 4540 4712 4173 6574 5045 6738 6858 4222 5169 4731 5034 6499 6933 5345 4658 5310 5090 4861 4199 3604 3876 5795 5556 6437 6100 2853 2432 5069 5877 5430 6097 3313 3891 2713 2170 3617 3349 3211 3225 3449 4071 5073 5410 3606 3611 5871 5940 4929 4628 5101 4124 5033 6424 6245 5412 5319 5299 5379 5634 140.0452 *140.0453* 140.0453@3.7873132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2521 2486 1 1 3828 3957 1 1 2402 1 1 1 1 1 1 1 1 1 3186 1 1 1 1 1 1 1 1 1 1 1 1 3147 1 1 1 1 2859 1 1 1 1 1 8310 9257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2492 2892 1 1 1 1 1 1 1 1 1 1 1 2075 140.0453 *140.0583* GABOXADOL + 1.0597433 1 1360 1655 2166 1 1 2696 2357 1096 1 2300 1 1 1 2227 2073 1983 1 3376 2861 1 1 1834 1935 1 1 1304 1 1122 1 2062 2891 1 1224 1 2116 3690 2482 2982 3676 3260 3758 1307 1555 1 1 1512 1 4481 3850 1 1 1 1 1 1 1227 1 2634 1819 5039 1 6241 5768 2204 1597 1 1 1 1 3381 3166 1 1 1009 1020 1 2375 6185 4941 3861 3094 1206 1268 1 2078 1 1 3639 3096 C13693 140.0583 *140.0587* GABOXADOL 1 2421 7355 6470 8722 9446 7147 6836 2216 2010 15084 18375 2650 2658 4461 4823 1906 2024 7741 7095 19016 20163 2713 2573 1610 1554 31701 32693 2781 2402 9088 8628 1648 1608 9622 8818 6762 7449 3781 4006 3593 4279 5225 1 2916 3555 7018 7686 6221 6780 4328 4675 19565 19059 19017 17973 2592 2349 1 1269 12322 11774 21656 22951 3481 3600 48720 47950 24688 23347 1 3234 4431 5067 3894 4054 10439 10733 13382 13393 7932 8175 3423 3500 11907 10665 8102 7640 8546 8937 C13693 140.0587 *140.0834* 140.0834@4.9385977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.0834 *140.0845* 140.0845@5.303897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1854 1925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.0845 *140.091* 140.091@3.158487 1 1 1 1 1 1092 1 1 1 1 1 1 1 1 1 1 1 1 1083 1 1327 1 1 1 1 1 1013 1353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1551 1492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1635 1 1 1735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.091 *140.0916* 140.0916@1.2459719 1 1 1 1 1 1 1 1 1356 1591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.0916 *140.1039* 140.1039@0.6890092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.1039 *140.1104* 140.1104@5.92 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.1104 *141.0253* 141.0253@3.4083729 1 1 2852 1955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 141.0253 *141.0279* Dimercaprol 2931 3064 2929 2765 2551 2554 3031 2771 2687 3226 3206 2810 2900 2698 2983 2894 2943 2870 2555 2755 2806 2742 2783 2776 2504 2122 2566 2140 2638 2340 2175 2193 2625 2834 2158 2118 2296 2615 1 1784 2351 2136 2401 2111 2389 2539 2286 1 2548 2339 1919 2314 2107 2191 2234 2054 2061 2010 2106 2123 2257 2254 2137 2169 1 2555 2383 2451 2084 2235 2525 2383 2460 2525 2362 2516 1 2270 2464 2026 2467 2455 2492 2035 2393 2114 2065 1941 1993 1897 C02924 141.0279 *141.0403* 141.0403@0.88714886 1 1 1 1 1 1 1 1 2762 1 1 1 1 1 1 1 1 1 1 1 2866 1 1 1 2773 1 2157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4521 1 1 1 1 3179 1 1632 1 1 3393 1 1 1 2883 1 1 1 1 1 1 1 2647 1 4100 1 5143 1 1 1 1 1 1 1 1 1 1 1726 2094 1 1 1 1 1 1 1 1 141.0403 *141.0406* 141.0406@0.892401 1375 1743 1816 1887 1 1 1 1 1 5184 1 11196 3064 1 5209 1 1 1 2385 3550 1 1 1 1 1 1 1 3775 1 1 1 1 1190 1 1 1819 1 1 2004 1454 1 3040 1210 1 1 1 5849 1 1 1 1 1 1 1 1206 1 1 1 1364 1 1 1 6550 5354 1 1 1 1 1 1 1731 1 1 1 1 4384 1 1 5411 1 1 1 1 1452 6891 1 6656 10019 1 3316 141.0406 *141.0479* 141.0479@0.90304255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 141.0479 *141.0558* 141.0558@0.9072046 1 1 1 1 1 1 1011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1103 1195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1286 1465 1 1 1 1 1 1 1 1 1 1 141.0558 *141.0745* 141.0745@0.9850252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1210 1 1 1 141.0745 *141.0758* 141.0758@1.2439891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 141.0758 *141.0781* 141.0781@2.9751146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 141.0781 *141.0787* Ethosuximide 7603 7020 1773 1619 8414 7572 11209 10249 2682 2760 14330 13544 1776 1713 8389 7322 13011 13528 2472 2561 7953 8952 2618 4244 1 1 2605 2367 1571 2373 5558 5888 4693 5542 1 1115 6710 5640 14469 14968 6289 6744 4170 4558 12141 11904 15293 16534 31288 30398 1164 1121 3759 2922 1 1 2436 2316 1 1 9160 10234 2752 1 2031 1961 1221 1 2259 2344 1486 1556 2637 1830 5276 5339 2224 2121 1 1 5649 4962 2514 2221 2853 2864 2223 2151 1211 1287 141.0787 *141.0789* Ethosuximide + 3.0564094 1492 1221 1709 1486 1463 1552 1 1769 1 1 1722 1686 1198 1 1 1 1678 1685 1302 2203 2247 2783 1 1381 2139 2054 2127 2092 1 1 1675 1 9337 9048 1550 1727 1580 1924 1 2352 3551 3471 1 1 1573 1 1 2016 2789 4041 2161 1726 2401 3169 1669 1523 5346 5530 1 1 2488 2693 1 1 1697 2502 2818 2683 1478 4352 6388 6066 2997 3108 1564 1526 1626 1693 1886 1392 1729 1739 1576 6700 7109 7018 2437 2450 1 1 141.0789 *141.0789* 141.0789@3.198122 2815 3571 1442 1750 1 1 1 1 1 1 1963 1764 1251 1 1 1 4675 4075 1261 3485 1 1 1 1 1 1 1598 1 1 1 1 1 1 1 1 1 32186 32443 1 1 1221 1 1 1 1370 1574 1 1 1 1 1 1 8976 9464 1 1 1 1 1 1 1 1 1 1 9892 10333 1588 2056 4139 1 1 1 1595 1356 2715 2709 1 1 1 1959 2544 1 7859 1 1 1091 1 1 1 1 141.0789 *141.0793* 141.0793@1.4599991 1 1 1 1 1 1 1 3185 1 1 4279 3673 1 1 1 2431 1 2970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4236 1 1553 1 1 1 1 3894 2085 7275 7978 1 1 1 1 1 1 1 1 1 1 1904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 141.0793 *141.0797* 141.0797@3.5185058 1 1 1 1 1 1 1 1 1 1 1 1 1198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 141.0797 *141.0872* 141.0872@1.2485472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3014 2708 1 1 1 1 1 1 1 1 1 1 141.0872 *141.0891* 141.0891@4.6933293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 141.0891 *141.1145* 141.1145@4.795396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2828 2483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2025 1633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 141.1145 *141.1436* 141.1436@6.009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 141.1436 *141.8931* 141.8931@0.84933114 1 7218 1 7809 7708 7589 6484 6998 7251 7024 7007 7844 1 7290 8047 7720 7819 8003 1 7538 1 7245 7595 7464 1 7594 7198 7395 7910 1 7330 7572 7346 7331 1 1 1 7029 8401 7698 7427 7126 8001 7755 1 1 7004 7269 7818 1 7502 7197 7329 1 1 7032 3172 7101 7915 1 1 6310 1 7424 7840 1 1 1 1 7904 1 7770 7594 7483 1 1 7654 8140 6804 1 1 7045 7449 7724 7367 1 1 7681 7053 7677 141.8931 *141.8935* 141.8935@0.8513391 7628 1 7726 1 1 1 1 1 1 1 1 1 7574 1 1 1 1 1 7499 1 7700 1 1 1 7602 1 1 1 1 7973 1 1 1 1 1 7695 1 1 1 1 1 1 1 1 7423 7685 1 1 1 8168 1 1 1 7704 7184 1 4180 1 1 7632 7339 1 7340 1 1 7530 1 7147 7181 1 8032 1 1 1 7671 7138 1 1 1 7566 6837 1 1 1 1 7135 7634 1 1 1 141.8935 *141.9322* 141.9322@0.962034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1387 1 1 1 1 1 1 1 1 1 1 141.9322 *142.0209* METHYLTHIOURACIL 34995 69348 73603 79782 84424 74552 74866 81204 82739 68636 74526 66838 71792 68188 83443 74109 44301 27564 72241 72233 63779 67485 78006 79264 78337 66668 70975 65531 78549 77805 67723 56409 77840 63300 80086 61619 68642 69199 76412 65192 75242 64083 73722 79515 66097 66336 77334 72959 66721 77698 75997 74867 76914 65361 69005 75430 73674 67465 75523 81019 43259 68566 58963 74275 66176 64102 63066 62684 63810 98349 70309 62250 69600 60574 70218 122688 73356 77276 74866 59721 74612 73872 76915 63321 78307 61519 73242 70518 71570 65940 142.0209 *142.0246* 142.0246@0.7212879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36230 1 1 1 1 1 1 1 1 1 1 96328 1 1 34024 1 1 1 1 1 32452 29726 32633 1 1 1 1 1 1 1 1 27282 1 1 1 1 1 1 1 1 29005 1 1 1 1 1 1 1 84660 87643 1 32272 27207 1 32323 1 1 1 29961 86126 1 1 1 1 27906 1 1 48303 1 33840 1 142.0246 *142.0251* 142.0251@1.892971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.0251 *142.0251* 142.0251@3.0380754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.0251 *142.0252* 142.0252@3.3825073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.0252 *142.0253* 5-(hydroxymethyl)- 2-Furancarboxylic acid + 1.1827083 42821 48889 37288 35513 53235 56581 20903 24103 45604 32662 33671 28460 39763 39983 1 40685 24697 34266 10968 26162 13010 1 1 22696 9691 1 31673 1 1 1 1 1 32541 31888 14581 1 1 21247 31876 30238 33307 38953 33341 36592 36824 34214 40739 40334 51415 47145 1 1 1 15999 1 45895 35325 1 1 1 1 1 12752 1 1 9768 41008 1 17223 7799 1 1 11113 1 1 1 12309 1 1 15864 1 1 46903 1 1 1 13046 1 1 1 HMDB02432 142.0253 *142.0253* 142.0253@3.2561195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25483 1 36059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42997 1 1 1 28923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35133 142.0253 *142.0254* 142.0254@1.147126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62897 1 1 1 1 1 1 1 1 1 1 74415 1 1 1 70182 52002 61903 1 1 20167 71604 71894 1 1 1 1 1 1 1 1 1 1 1 1 1 72091 60831 51793 1 50857 1 24012 61818 1 1 1 47702 1 59870 63639 1 1 65545 1 42061 1 1 1 63774 59193 55931 1 71551 1 1 61770 80544 1 61822 1 1 1 48043 76614 1 142.0254 *142.0254* 142.0254@1.3674736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11624 1 1 1 1 1 1 1 39862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.0254 *142.0254* 142.0254@4.206129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14382 1 1 1 1 142.0254 *142.0254* 142.0254@2.4522202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14924 1 1 1 1 1 1 1 1 9859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.0254 *142.0255* 5-(hydroxymethyl)- 2-Furancarboxylic acid 65733 75225 1 40874 79477 65941 64254 55088 74647 68966 52972 1 71226 1 70292 78547 56595 60624 54417 57167 71549 1 1 69353 1 55109 45236 54515 1 60047 62271 44905 1 58235 1 55000 49521 1 51725 53172 61369 62285 65341 1 63742 73136 67900 62141 67950 1 31070 54283 74551 1 74279 1 44963 66210 37629 1 39065 57331 39407 1 52714 53927 32279 30894 1 1 51514 44213 76998 51761 51270 66746 56524 46386 1 38247 51455 35724 51446 58144 1 1 46751 50821 41607 44372 HMDB02432 142.0255 *142.0255* 142.0255@1.1011147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117717 1 1 1 1 1 1 123663 1 1 1 1 1 1 1 1 83953 1 1 1 1 1 1 1 1 1 1 1 1 30448 1 1 109166 1 1 21821 1 1 1 1 1 1 1 1 1 20246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26415 1 98025 100329 1 1 1 1 142.0255 *142.0256* 142.0256@1.0046104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20912 12578 1 1 1 1 1 1 1 1 1 1 1 1 24933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5363 142.0256 *142.0256* 142.0256@13.512292 1 1 4180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.0256 *142.0264* 142.0264@0.9409971 1 1 1 1 1 1 1 1 1 5971 1 1 1 1 6755 1 1 6215 1 6029 1 1 1 1 1 1 1 1 1 5458 1 1 1 1 1 4833 1 1 1 1 1 1 4047 1 1 1 1 1 1 1 1 1 1 1 1 1 6114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5872 1 1 1 1 1 1 1 1 1 1 6259 142.0264 *142.0707* 142.0707@0.9970021 1 1 1 1 1 1 1 1 1 1 1 9238 1 1 1 1 1 1 1 1 1 4825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.0707 *142.092* 142.092@1.2415233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3713 3720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.092 *142.0946* C4 H10 N6 3119 2635 4878 3934 1 1 1 1 1 1 4207 2494 2495 1 2410 2345 1 1 1 2925 1 1 1 1 1 1 3198 2467 2730 3491 1 1 1 6109 1 3236 4640 4015 1 1 6943 4845 1 1 1 1 3757 2827 2069 1 4041 4400 1 3021 1 1 4592 5079 2502 1 1 1 2850 2191 3868 3075 1 1 2776 3048 3083 1 3723 4539 2230 2644 1 2452 1 2864 2282 2785 1 4281 2106 2177 3085 3798 1 1975 142.0946 *142.0961* 142.0961@5.165316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4217 4919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7300 4254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4205 3580 142.0961 *142.0973* 142.0973@5.1680245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9953 10643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.0973 *142.1042* 142.1042@1.2469846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.1042 *142.109* 142.109@1.2464484 2804 2922 4846 4573 2951 3319 4079 4063 2355 2397 4412 4618 2761 2627 2682 3018 3268 1 4080 3885 3894 3843 2457 2091 2495 2750 3934 2882 2014 1975 4405 3755 3725 4109 3381 3645 3367 2762 4308 4526 4434 4056 3315 3284 2625 3223 3887 1 1 1 3193 3069 3326 3453 2474 2052 3202 3434 2651 2804 3884 4344 4900 4577 4053 3830 5402 5109 2872 2857 3585 3452 2866 2160 3313 3087 3437 3219 2460 2732 4516 4094 3223 2990 3387 4035 4456 4438 3589 3028 142.109 *142.1403* 142.1403@5.8172874 1 1 1 1 1 1 1 1 1 1 1 1 1279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1379 1 1 1 1 1 1 1 1 1 1 1 1 1263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.1403 *143.0178* 143.0178@0.77877176 1 8084 1 1 1 1 1 1 1 10375 1 9330 1 13000 1 1 1 8541 1 1 8129 10083 1 1 1 8685 1 9622 1 1 9566 10012 1 9838 1 9211 13225 13914 1 8739 1 10521 1 1 8855 12992 1 1 14087 1 1 1 1 8807 1 1 1 9691 1 1 9843 1 11185 1 11378 9557 9579 9639 9951 1 1 9944 1 10549 1 1 1 1 1 11017 1 1 1 10342 1 8790 1 1 1 1 143.0178 *143.0278* 143.0278@6.405958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0278 *143.0284* 143.0284@1.8770174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0284 *143.0285* 143.0285@4.4019694 1 1 1 1 1 1 1 1 1 1 2630 1 1726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3756 1 1 143.0285 *143.0291* 143.0291@1.9520888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1337 1 1 1 1 1 1 1 1 1 2136 1 2131 1 1 1 2245 1 1 1 2753 1 1 1 6480 1 1 1 2132 1 1 1 1 1 1 3315 1 1 1 1783 1 1 1 1 1 1 1 1280 1 1 1 1 1 1 1353 2894 1 1 1 1 1 1 1 1 1193 1 1 1 1 1 1 1 1 1 143.0291 *143.0296* 143.0296@0.66071093 1 1 7213 5600 1 1976 1 1 3938 1 1 1 4371 1 1 5289 1 1 1 2616 5402 3098 1 1 1 1 2374 1 1 2152 1 2608 1 2263 5262 1 1 3000 1778 1 2477 1 1 1 1 2596 4922 1654 1 1 1 1 1 1 2576 1 1 1 5473 1 1455 1 1 1 1 1 1 5307 1 1 1 2081 1 1 1 2703 2248 1971 1 2405 3829 3974 2904 2283 1 1 5381 1 1 1 143.0296 *143.0296* 143.0296@0.6190031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0296 *143.03* 143.03@2.7990139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.03 *143.0301* 143.0301@2.468832 2235 1 1 1 1 1905 1 1 1 1 1 1 1 1 3431 1 1 1 1 1 1 1 1 1932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4828 1 1 1 1 1 1 1 1207 1 1 1 1 1 1118 1 1 1 1 1 1 1 1 1 1 1 1 3049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0301 *143.0302* 143.0302@1.6334149 2021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1670 1 1 1 1 1 1091 1 1 3487 1 1938 1 1 1 1828 1556 1 1 2285 1 1 1 1 1 1 1 1 1 1 1364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1847 1 1 1 1 1 1 2795 1 1 1 1 1 1 1 1 1 1088 1 1 1 143.0302 *143.0303* 143.0303@1.6786798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2078 1 1 1 1 1 1 1 3629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0303 *143.0304* 143.0304@5.3647466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0304 *143.0305* 143.0305@3.1272674 1 1 1 1 1 1 1 1 1 2035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1617 1 1560 3224 1 1 1 1 1 1845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1626 1 1453 1 1 1 1 1 1 3559 1 1 1 1 1 1 1 1 1 1 1 2201 143.0305 *143.0306* 143.0306@3.0893965 1 1 1 4283 1 1 1 1 5784 4140 1 1 2331 1 1 1419 1 1 1 1 1 1 1 1 1 1 1 1 1445 1 1 1 2427 1 1 1 3285 3832 1 1 1 1 1745 1 1 1 1 2160 1871 1 1 1694 1 1 1 1 1 1 1 1 1 1 1 4482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3629 1 1 1 1 1 1745 1 1 1 1 2165 143.0306 *143.0306* 143.0306@1.110001 1 1 1177 1 2877 3698 1671 2073 1426 2821 2908 1 1 1 1 4324 1 2470 1 1 3537 1 4365 1 2130 1 1966 1 3784 1449 1 1 1 1 1 1 1750 1 1 1 1 1 1 2526 1203 1 1310 1 2225 2201 1 1 1 5885 1 1 1 6186 1 5516 1 1 1 1 1 2786 1 1 1 1308 1 2122 1 1405 1713 1 1 2829 1 1 1 1 1 1 1 1 2508 1177 1280 1 143.0306 *143.0321* 143.0321@2.7460134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0321 *143.0323* 143.0323@1.7010067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1258 1 1 1 4721 1 1 1 1424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1308 1 1320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0323 *143.0328* 143.0328@3.4326868 1 1 1 1 1 1 1 1 1 4863 1 1 1 1 5352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0328 *143.0329* 143.0329@1.3640914 1 1 1 1 1 1 1 1392 1 1599 1 1 1 1 1 1 1 3754 1 1 1 1 1 1 2522 1 1 1 1472 1 1 1 1 1462 1 1 2780 1444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1793 1276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1865 1 1 1 143.0329 *143.0335* 143.0335@3.105978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2634 1 1 1 1 1 1 1 1 1566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0335 *143.035* 143.035@1.056495 1 1 1 1 1 1 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.035 *143.036* 143.036@1.6430323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.036 *143.0361* 143.0361@1.3288401 1 1 1 1 1 1 1 1497 1 1 1 1 1 1 1 1 1 1 2618 1 1 1 1 1 1 1 1 1 3576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1068 1 143.0361 *143.0362* 143.0362@2.307972 1 1 1 1 1 1 1 1 1 1 1 4084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0362 *143.0389* 143.0389@3.0924253 1 3376 1 1 1 1 1 1 1 1 1 1 1 5156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4379 1 1 1 1 1 1 1 1 1 1 1 16362 15798 3652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0389 *143.0392* 143.0392@2.2051432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0392 *143.0403* 143.0403@2.2163794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1962 3421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0403 *143.0406* 143.0406@2.1200364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1569 1 1 1221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0406 *143.0412* 143.0412@1.3220221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1401 1 1 1 1 1 1 1 1 1 1 1 1 1712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0412 *143.0448* 143.0448@3.0372775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4153 1 1 1 1 1 1 1 1 3362 1 1 2445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0448 *143.0509* C8 H5 N3 1 1 1 1 2693 2078 1 1 1130 1 1 1 1837 1 1 1 2024 1 5550 1 1 1 1 2527 1 1 1 1 1 1 2278 3564 1 3667 1 3348 3179 2964 1 1 3079 2826 1 1 1 1 2331 1 3148 4104 1810 1 3550 4092 1 1 1 1 3844 1 3554 3495 1 1767 1 2107 2454 1 4406 3722 2869 1 1 1 2002 1 1 4074 1 1 2344 1 2441 1 2671 3010 1 1 1 2671 143.0509 *143.0523* 143.0523@3.0323915 1 1 1 1 1 1 1 3537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3235 1 143.0523 *143.0565* 143.0565@3.0296824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23959 16041 1 1 1 1 1 1 1 1 1 1 143.0565 *143.087* 143.087@3.6911798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.087 *143.0892* 143.0892@1.3219453 1 1 1 1 1 1 1 1 1 1 1 1 1 1419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0892 *143.091* 143.091@0.6470098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.091 *143.0916* 143.0916@3.4051156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0916 *143.092* 143.092@1.6285272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1307 1 1 143.092 *143.0924* 143.0924@3.2564743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2354 1237 1 1 1 1 1 1 1 1 1754 1 1 1 1 1 1 1 1 1 1 1 143.0924 *143.0925* 143.0925@2.5125737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1186 1 1 143.0925 *143.0932* Triparanol 2389 2056 1 2263 1 3032 1690 2326 1 1 2001 2483 1759 2423 14310 12640 1 1 1 1 1 2831 2015 2030 1 1 1816 1 2076 1 1 1846 1 1186 1 1 1 1 1 1 1 1 1 2227 2316 2443 1085 1 1103 1421 1 1 1 1 1 1516 1799 2123 1 1 2580 2755 2129 1535 2103 2146 1 2831 2036 1846 1 1 1 1 2585 1 1527 1 2228 3633 2617 1579 1 1 2244 2768 1 1068 1 1 HMDB01378 143.0932 *143.0932* 143.0932@3.5466888 1 1 1 1 1 1 3230 2088 1 1 1093 1561 1 1894 4267 1839 1 1 1 1 1 1 1 1 4717 4040 1 1 1 1 1 1 1 1090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1499 1630 1 1 1559 1 1 1 1 1 1 1 1 1 1240 1 1 1 4308 3772 1 1 1 1 1 1 1 1 2642 2484 1 1 1 1 1 1 1 1 1 1 143.0932 *143.0935* 143.0935@1.5089074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1179 1 1 1 1 1168 1781 1 1 1 1 1 1 1 1904 1 1 2117 1487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1562 1 1 1 1 1 1 1 1 1145 1 1 1 1963 1 1 143.0935 *143.0938* 143.0938@1.2235767 1 1 1 1 1 1088 1 1 1 1 1 1 1 1 1 1798 1186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2354 1 1 1 7328 1 1 1 1 1 1 1 1 1 1 2363 4101 6915 1 1 1 1 1 1 1 1 1 1 2600 1 1 1 1 1 1 9686 1 1 1 1 1 1 1 1105 1 1 1527 1 1 5433 1 1 1 1 3969 1 1 1 143.0938 *143.094* 143.094@3.9180415 1 1 1 1 1 1 1 1 1 1 1 1467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.094 *143.0942* 143.0942@1.1311182 1 2122 1 1576 1 6931 243227 2297 1156 1 3824 4368 3064 4158 4186 34576 94054 36527 4715 5012 1 1 1 1 83140 1 1546 1 1 4901 1 1 1 1 1 1 77887 6715 15643 1 4117 3872 1 1 1 1 1 153458 65317 5733 1 7221 77423 1 1 1 1371 1463 1 1 64434 1 1 1 1 1 9341 89605 4027 2245 1 1 1 1 1625 1 1 1 1 1965 3479 1 1 1 1966 1 1 1 8695 10540 143.0942 *143.0943* Triparanol + 1.2402513 14050 12047 13586 11834 36823 35427 41054 33449 7306 7072 47346 44708 8844 9108 38016 37884 40590 3112 20369 14459 61599 61261 15568 16895 8817 11273 12164 13281 16419 21784 35651 37583 18716 14767 21663 18356 29138 31725 44321 41220 17857 18415 7043 7777 27253 27212 37261 38689 68985 76924 17774 11573 25254 21826 14078 5704 14747 16004 5216 4433 4932 67360 13035 21881 16527 16679 23208 20964 21988 20116 18907 10098 16687 16827 41659 39024 11101 18809 9442 9376 43559 44138 17954 11076 20038 11241 22023 23811 22569 17691 HMDB01378 143.0943 *143.0943* Triparanol + 3.4729714 9687 7219 7143 4278 7282 8908 19071 16704 17736 17748 21969 23499 19070 20609 5458 5098 8048 6253 19054 18693 4240 6720 11279 9414 4353 5364 10729 10227 6789 6271 4612 4291 14021 14313 15504 15364 12597 11880 13531 14966 17921 17534 3950 4206 7330 5316 22491 22716 6139 5559 9314 10091 32694 34817 9482 8919 14405 14572 6785 7362 12454 13511 2433 1 19896 22017 16266 16222 30905 28005 15444 14122 14804 13677 12240 10538 17421 15799 7762 8845 11593 12154 10962 7429 16105 14618 13827 14957 9249 8539 HMDB01378 143.0943 *143.0945* 143.0945@1.0217104 1 1 1 1 1 1 1 1 1 1 1 1 31845 1 1 1 1 72798 85993 74072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1072 1 1 1 143.0945 *143.095* 143.095@2.0140662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1262 1 1 1 1 1 1 1 1 143.095 *143.0951* Triparanol + 1.0181272 112620 112566 329947 329955 93943 88810 1204 249407 27737 28106 839511 849573 457258 491322 678547 634471 884355 908327 878466 893024 44149 46263 189493 186403 1562045 1648407 292899 297840 47170 46516 185709 181447 3021917 2997294 1859112 2037539 1487281 1578597 2778389 2786430 872055 874010 82721 81295 42673 44089 537482 461767 1023271 1081812 1292431 1320099 1791084 1860745 139811 143325 43493 45622 50740 50051 254035 258502 22441 22760 49077 49985 1608197 1515684 348678 343253 98035 99266 24393 23370 388190 390274 183333 177489 234099 235472 961678 949097 2101768 2078223 166688 166872 3573171 3598054 1963628 1975800 HMDB01378 143.0951 *143.0977* 143.0977@1.6990343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1659 1 1 1 1 1 1 1 1 1 143.0977 *143.0979* 143.0979@1.3580263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0979 *143.1011* 143.1011@3.6193433 1 1 1 1 1 1 1 1 1 1 1 1 1 1512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.1011 *143.1255* 143.1255@7.360123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.1255 *143.1284* 143.1284@7.3607483 1 1253 1 1086 1101 1240 1393 1682 1312 1 1207 1 1 1 1 1479 1037 1 1290 1 1 1186 1205 1151 1237 1 1211 1223 1380 1171 1 1 1064 1483 1 1 1063 1 1255 1 1192 1 1197 1242 1 1 1 1093 1255 1 1 1232 1252 1351 1 1 1191 1 1271 1739 1 1160 1 1 1051 1 1 1483 1334 1 1 1 1 1 1351 1122 1 1183 1 1057 1 1 1 1493 1355 1 1010 1068 1 1036 143.1284 *143.164* 143.164@6.012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.164 *143.9037* 143.9037@1.0170189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1318 1 1 1 1 1 1 143.9037 *143.9073* 143.9073@1.0190136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.9073 *143.9675* 143.9675@1.0209898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.9675 *143.9734* 143.9734@0.7810104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4091 1 1 1 1 143.9734 *143.9735* 143.9735@13.385011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1852 1 1 1 143.9735 *143.9745* 143.9745@14.343231 1 1 1 1 2126 1174 1 1 1 1 1 1 1512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1191 1 1 1 1141 1 1 1 1 143.9745 *143.9975* 143.9975@0.7760982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8827 7450 7406 1 7439 1 7815 7982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7052 6809 1 1 6998 8023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7744 1 6844 1 1 1 143.9975 *144.0041* C9 H4 S 6842 7418 7344 7694 7119 6726 7940 6634 7566 6773 7259 6738 1 1 6130 1 1 1 7013 6568 6626 6516 7111 7719 6968 6523 1 7345 5433 1 1 1 1 7541 1 7584 1 1 7044 6473 6429 6453 7350 6979 7304 6603 7128 6788 1 7069 1 7041 1 6580 6546 1 6492 7212 6710 7677 1 6794 6661 6751 1 1 7618 7590 1 1 8055 6740 7598 7477 6936 6783 7469 7292 6419 7006 6894 6921 7167 1 1 7752 1 6821 1 1 144.0041 *144.0064* 144.0064@0.7766772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7432 1 7560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7286 1 1 1 1 1 1 144.0064 *144.0088* 144.0088@0.77591366 1 1 1 1 1 1 1 1 1 1 1 1 7658 6643 1 7179 9420 6532 1 1 1 1 1 1 1 1 7442 1 1 6617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7852 1 1 6600 1 1 1 1 6337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5941 7378 144.0088 *144.0377* 144.0377@0.7313426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2930 1 1 1 1 1 1 1 1 144.0377 *144.0408* 144.0408@1.1909837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0408 *144.0415* 144.0415@0.61799455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0415 *144.0416* (E)-2-Methylglutaconic acid 1391 1340 1 1 1 4875 4393 1622 1 1 1 1 1 1 3287 1 2365 1 1917 3853 1873 1 2111 2121 2247 2365 3071 1421 1 6852 1 1 1 1 1061 1 1 1718 2741 1937 1 1600 4397 1 1 1 1 1 4964 1973 3619 1 1 1 1 1 1034 1 2569 1 2312 3897 3591 4840 1642 1170 1 1 1 3505 2511 1 2852 2409 1 1 5020 1 1 4049 1 1689 2044 1171 3064 6051 4509 1 1183 1 HMDB02266 144.0416 *144.0416* 144.0416@2.6350312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0416 *144.0416* 144.0416@3.1361492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0416 *144.0417* 144.0417@0.65836054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2578 2605 2813 1 1 2321 1 2321 1 1 1 1 1 1 1 1 1424 1 1 4390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2258 2869 1 1 1865 2067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2869 1 1 3006 1 3055 1 1 1 144.0417 *144.0418* 144.0418@2.1818092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1058 1 1 1310 1 1 1 1152 1 1 1 1 1 1 1 1 1 1684 1 2671 1159 1 1 1 1 1 1 1 1 1040 1 1 1206 1218 1 1 1528 1 1 1 1 1 1090 1 1 1 1 1 1 1089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1727 1 1 1 1 1 1593 1 1274 1 144.0418 *144.0419* 144.0419@1.0084813 1 1287 1 1 1 82802 1238 1 1 1 1765 1 1 1 84842 1839 1 1 2651 1 1 1 1 5364 1 2626 82964 1 1 1274 1 1 41115 1054 104440 1 1 85081 1961 1 1 1 1 2675 1860 1 1 1 1 88155 1669 1 63838 6016 1 2380 4829 1 100025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8474 1 1 1 1 1 1 3675 1 2889 1 1 1 1471 1 1 144.0419 *144.042* (E)-2-Methylglutaconic acid + 0.8921491 88776 90244 85581 88620 126789 47662 132171 133449 94635 98665 87964 89679 94643 92669 1280 81294 95447 94521 77540 81796 103123 104220 91934 94684 99825 100012 1101 83479 84654 85300 103014 102302 32745 68320 1248 99475 85123 1228 87646 86544 91497 90985 93866 89975 95291 96095 111028 118067 87385 1218 98949 99653 34550 98435 87217 93161 89704 100575 1429 100503 95118 93399 70870 71094 95001 98033 75755 72807 74698 73459 80219 79181 127793 125970 84669 93112 82706 83933 95348 94363 79390 75496 86736 85740 75085 78694 73377 71823 110670 112108 HMDB02266 144.042 *144.0422* 144.0422@2.0690904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2101 1 1 1 144.0422 *144.0423* 144.0423@1.0727983 1 1173 1 1 1 1849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1290 1 1588 1 1 1 1 1 1 1 1110 1205 2215 1 1 1 2032 1853 1 1066 1 1 1593 1 1249 1 1 2595 1 2060 1 1 1 1 1 1447 1 1 1 1 1 1 1 1 1 1946 2130 1 1 1 1 1 1 1 1 1 2110 1 1 1 1 1 1 1 1 1 1 1965 1 144.0423 *144.0423* 144.0423@1.1329852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0423 *144.0423* 144.0423@1.5330161 1 1 1 1 1 1043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1477 1 1 1 1 1 1 1 1 1 1 1372 1 1 1 1 1 1 1 2573 1 1242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0423 *144.0424* 144.0424@1.3568794 1 1 1 1 1 5662 1 1 1 1 1 1 1 1 4382 1 1 1 1 1 1 1 1 4999 1 1309 1 1 1 1309 1 1 2673 7839 1 1 1 1 1886 1 1 1 1 1 1 1 1 5837 1 1 1 1 1 1 1112 1 2125 1 1 1 1 1 1 1 1 1 1 1 1038 1185 1 1 1 1294 1 1356 1 1 1 1 1 1 1 1 1 1 1 2923 1 1 144.0424 *144.0424* 144.0424@2.2990646 1 1 1 1 1 1 1 1 1085 1 1 1 1546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1305 1 1155 1 1 1 1 1 1 1 1622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1007 1 1 1 1 1 1715 1 1225 1 1 1 1064 1 1 1 144.0424 *144.0425* (E)-2-Methylglutaconic acid + 1.2437595 3565 2542 4358 3923 5655 1417 5462 5970 5071 3567 5511 5497 1 1 1006 5447 5429 6809 5423 5086 3455 4318 4923 1655 3173 4023 5645 5440 2361 3176 5985 5356 7010 2486 2571 2263 6160 5067 5328 1 4919 4648 4986 5384 3923 3922 4583 1292 5261 4899 3146 4061 1 6231 3167 3427 4032 3838 1 2004 4367 3738 3489 5140 5029 4215 3392 5418 1 4990 3325 4059 6470 4320 3615 3670 4499 4337 1 1 3471 2678 7326 6185 3078 3681 8631 6677 1 2395 HMDB02266 144.0425 *144.0426* 144.0426@2.127095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1221 1 1 1 144.0426 *144.0432* 144.0432@1.7979159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1716 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0432 *144.0478* 144.0478@1.246047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8337 7689 1 1 1 1 1 1 1 1 1 1 144.0478 *144.0568* 144.0568@4.52617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0568 *144.0741* 144.0741@4.1725855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3155 3745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0741 *144.0761* 144.0761@4.268091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3570 4122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0761 *144.0778* 144.0778@8.446205 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0778 *144.0943* 144.0943@1.1173338 1 1 1 1 1 1 1 1 1 1 1441 1 1 1 1 1 1153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1491 1 1 1 1 1389 1 1 1 1 1 1 1 1 1 5015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1840 1 1 1 1 1 1 1 144.0943 *144.1156* 144.1156@7.8252716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2321 2400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.1156 *144.1439* 144.1439@0.90559757 1 1 1 1 1029 1783 1044 1749 1 1 1 1 1 1 1 1 1 1 1 1 1 1163 1 1 1 1177 1 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1594 1288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.1439 *145.0189* 145.0189@0.77425534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1332 1 1 1 1 1148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0189 *145.0212* 145.0212@3.75061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2112 1811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0212 *145.0236* 145.0236@0.7700052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0236 *145.0397* 145.0397@1.0137119 1 1 1 1 1 1275 1 1 1 1 1 1 1 1 1 1 1 1 1891 1 1 1182 1 1 1 1 1 1 1 1 1866 1136 1 1 1 1 1 1 1 1 1 1350 1 1 1 1 1 1 1 1 1 1 2230 1623 1 1 1 1 1 2110 1 1 1115 1 1 1 1 1 1 1 1 1 1 1 1 1061 1 1 1968 1 1 1 1 1144 1 1 1 1 1 1 145.0397 *145.0504* 145.0504@0.92969996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0504 *145.0543* 145.0543@4.7031217 1 1 4935 4958 1 1 3353 3721 8688 9187 16183 16880 1537 1 1933 1997 1 1 4495 3974 1 1 1 1 5765 5579 1 1 1 1 1754 2478 1 1 8260 8450 1 1 1 1 1 1 1 1 1 1 4766 4017 1 1 3722 3811 2048 1 27381 27445 2363 2441 1 1 1 1 1 1 2522 2209 1 1 2895 2978 1 1 1 1 1 1 1 1 2804 2618 1 1 1434 1 1 1 7810 7705 1 1 145.0543 *145.056* 145.056@3.1942737 6381 6891 1 1 2517 2505 7935 7748 1 1 1 1 1 1 1 1 8866 9430 34077 32755 1 1 1 2711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 75270 78242 1 1 1 2892 1 1 7871 7704 66891 63610 1 1 1 1 1 1 1 1 3152 3187 1 1 1 1 1 1 3863 3634 13301 11610 2953 1 1 1 1 1 1 1 1 1 19469 19206 15144 14934 59726 59127 1 1 145.056 *145.0577* 145.0577@0.9043392 5995 6147 1 1 1 1 1 1 6537 1 1 1 1 1 1 1 6622 1 1 1 1 1 1 1 1 1 1 1 1 1 7038 1 5275 4485 1 1 1 6449 1 1 5804 5951 1 1 1 1 8063 1 1 1 1 1 1 1 1 1 3332 1 1 1 1 1 4476 4844 1 1 1 1 5638 5355 3135 1 1 1 1 1 1 1 1 1 4998 5068 2991 3414 1 1 1 1 1 1 145.0577 *145.0586* 145.0586@0.89745456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6466 1 1 1 5339 1 1 1 1 1 1 1 1 1 3195 1 1 1 1 5820 1 1 1 1 1 6330 6291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2925 5681 1 1 1 1 1 1 1 1 1 1 3909 1 1 1 1 1 1 1 145.0586 *145.0606* 145.0606@4.7014866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1061 1161 1 1 1 1 1935 1 1 1 1 1 1 1 2085 1776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1497 1 1 1 1 1 1 1 1770 1615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1431 1 1 1 1 1 1 145.0606 *145.0609* 145.0609@4.0178533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1886 2267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2275 1930 1 1 1 1 1 1 1 1 1 1 145.0609 *145.0649* 145.0649@3.9970908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2068 1551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0649 *145.0666* 145.0666@0.8930122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7350 6928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6002 5746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3343 1 1 1 1 1 1 145.0666 *145.0668* 145.0668@3.185752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1404 1 3310 1 1 1 1 1 1 1 1 1 1 1853 1 1 1583 1946 2226 1 1 1 1 1 2696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1884 1729 1 1888 1657 1427 1 1 1 1 1 2950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0668 *145.0669* 145.0669@5.924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 63806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0669 *145.0688* 145.0688@3.1950378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1656 1 1 1 1385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0688 *145.071* 145.071@0.89647734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14615 12513 1 1 8992 9929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.071 *145.0725* C6 H11 N O3 2159 2666 2283 1 2264 2724 2884 3436 2767 2430 3098 3587 4149 3852 2970 2942 3364 4187 2573 2868 9681 5021 4535 3674 3309 1 2826 1 3654 4270 2696 3900 3981 3204 3200 1 4101 3266 1 3663 3114 4850 3060 3417 4957 1 4645 2410 1 3645 3118 3374 3835 3252 5520 1 1 3908 1 3541 3534 2945 2745 4158 1 3204 2999 1083 2880 3330 4357 1 3681 3436 3148 3780 3204 2852 3753 2936 3233 3028 3014 3058 2648 3404 3369 3053 1 3403 145.0725 *145.0731* 145.0731@0.7004343 1 1 1 1 1 1 1 1658 1 1 1 1 1 1 1 1 1 1 2579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2321 1 1 1 1 1 1 1 1 1 1866 1 1 1476 1 1 1 1 1899 1 2726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0731 *145.0733* 145.0733@4.843032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0733 *145.0735* Propionylglycine methyl ester 10758 1 1 1 3801 1 14644 6787 4174 1 1 1 7392 1 4252 6514 6337 12360 11297 14947 3656 1 3161 12799 1 6821 8006 2912 3901 8966 8894 6017 1 1 9516 12200 13951 14419 4264 15420 1 17118 9909 5103 1 1 1 12341 7138 5617 5669 5282 6679 8099 9485 1 2473 3100 16166 9525 12257 13724 15974 16932 4903 9724 6375 1 4062 9196 1 15374 1 1 3225 4790 6538 9684 11460 21468 9539 5203 9339 3267 1 13447 1 3902 3900 15953 HMDB00813 145.0735 *145.0737* 145.0737@1.7705824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1181 1 1 1 1 1 1 1 1 1 1 1 3353 5798 1 1 1 1 1 1 1 1 1 1150 145.0737 *145.0737* 145.0737@1.894298 1 1 1 1 1 1 1 1 1 1 1716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7717 15270 1 1 1 1 1 1 1 1787 1 1 145.0737 *145.0737* 145.0737@2.9475603 1 1 1 1 1 1 1 5001 2091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1397 1 1 1 1 1 1 1 1 1 1 12634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2137 1 1 1 1 1 1 145.0737 *145.0737* 145.0737@3.1969678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1250 1 1 1 1 1 1 1 1 1694 1 1 1 1 1 1 1 1 1 1 1 1 2658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0737 *145.0738* Propionylglycine methyl ester + 2.9428074 5611 6661 4301 1 5343 1 1 10882 12075 1 17872 11721 4140 14190 13072 5242 15007 9721 1 1 7726 1 19033 1 1 5761 7070 6643 7039 5895 9321 3873 7629 11688 11091 10802 21937 20761 9546 13586 16657 17599 9408 5828 16637 6878 12466 11801 11992 10382 3806 1 11846 6578 1 14388 5554 3580 1 7256 18551 15182 1 1 12410 1 5223 14485 5023 1 15676 12592 17683 10412 14442 5611 11002 11108 13368 29744 15518 22258 1 6041 29108 16804 13223 1 12102 1 HMDB00813 145.0738 *145.0738* 145.0738@3.5948818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7553 8077 1 1 1 1163 1 1 1 1 1 1 145.0738 *145.0744* 145.0744@1.3115484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2122 1 1896 1 1 1 1 1 1 1 1 1 1 1 1219 2894 2065 1 1 1 1 1282 1 1 1 3191 1 1 1 1 1 1 1 1724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1190 1 1 1 1 1 1 1215 1 1 1 1 1 1 1 1 1 1 1 1 2008 1 1 145.0744 *145.0774* 145.0774@1.2719836 1 1 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0774 *145.0816* 145.0816@1.2253493 1 2496 1633 1 1 1 1 1 1 1125 1 1 1 1 1 2839 1 1 1 3326 1 1 1 1 1 1 3751 2422 1 1 1 1 1918 1768 1 1 1 1 1 1 1 2441 1 1 1 1 1 1 2656 1 1219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1315 1 2111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0816 *145.084* 145.084@1.2470163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13691 12500 1 1 1 1 1 1 1 1 1 4787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6755 1 1 1 1 1 1 1 9827 1 1 1 1 1 1 5720 1 1 1 1 8217 1 1 1 1 8284 1 1 1 1 1 1 7689 1 9007 1 6766 1 1 145.084 *145.0844* 4-(diaminomethylideneamino)butanoic acid 1 4316 4345 6192 2115 1 1 1775 2635 5525 6538 5395 2082 5653 1 3496 2597 1 5417 6242 7021 6174 4242 3660 3519 3893 4675 5071 6962 1201 7252 5350 6752 6626 6162 4036 4508 5243 1 6127 4742 1 2123 2015 1199 1 1 3010 3621 1 4626 4802 3798 4234 2545 10002 2012 3839 5004 5414 5449 4190 3336 3742 3214 3087 12621 12953 2639 3103 5712 3704 3146 1 4233 4177 3485 3420 1 2576 3771 3482 2452 2442 5086 4668 5499 3242 4538 4099 145.0844 *145.0853* 145.0853@1.1838236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8720 1 1 1 9667 1 1 1 1 5477 1 1 1 1 1 1 1 1 1 1 3755 1 1 1 1 1 1 1 4532 1 1 1 145.0853 *145.0924* 145.0924@1.2472022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6322 5803 1 1 1 1 4477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23725 22645 9445 9389 1 1 1 1 1 1 1 1 145.0924 *145.102* 145.102@3.740626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1253 1 1 1 1 1 1112 1 1 1 1 1511 1 1 1 1 1 1 1 1 1149 1 1 1 1232 1176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.102 *145.1036* 145.1036@3.816941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1199 1 1 1 1094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1855 1868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.1036 *145.105* 145.105@1.0100037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.105 *145.1084* 145.1084@3.6214972 1 1 1 1 1 1 3763 4632 1 1 1 1360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.1084 *145.1095* L-Alanine n-butyl ester 10274 11601 14123 13577 15992 16610 11254 11883 10419 11279 18137 1 11324 11640 1 1 1 1 1 1 6648 7096 9043 8875 1 1 17091 17391 8582 7990 13732 13479 1 1 1 1 1 1 1 1 1 1 13234 12824 12651 13593 17838 1 1 1 1 1 1 1 6113 7103 15496 14291 8105 8663 20926 20841 11821 11782 8309 8772 1 1 20520 20174 10887 10325 11642 11735 15772 14999 12829 13050 46803 45122 1 1 1 1 7948 8106 1 1 1 1 145.1095 *145.1572* Spermidine 1 5729 1 1 1909 1 4196 1 1 1 1 6908 1 6441 3751 3878 1 1 1 1 6401 1 6458 6348 1 1 2639 2327 1 3143 6281 6897 1 2976 4696 1 4063 4020 1 5168 4803 1 3649 3791 4909 5161 1 5151 3520 3584 1 1 5076 1 1 4252 4039 1 4858 1 3143 1821 1 1 1 1 3973 4210 5924 6415 1 4958 1 1722 7839 8415 1 3465 1 1 2776 3224 1692 3122 3194 2627 4996 4474 3367 1 HMDB01257 C00315 145.1572 *145.1577* Spermidine + 0.7562499 5572 1 8916 9296 1 2505 1 4405 5202 5652 1 1 6371 1 1 1 2846 3041 2930 3135 1 4868 1 1 3251 3271 1 1 2559 1 1 1 2985 1 1 4883 1 1 4464 1 1 4766 1 1 1 1 5327 1 1 1 10126 1 1 4717 4251 1 4132 8065 1 5175 1 1818 4285 4005 3330 3359 1 1 1 1 4409 1 1 1 1 1 3470 1 1709 1 1 1 1 1 1 1 1 1 1 3328 HMDB01257 C00315 145.1577 *146.0088* 146.0088@0.7765842 1 1 1 1 1 1005 1 1 1 1 1 1175 1 1008 1 1006 1 1 1 1 1079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0088 *146.0215* 2-Ketoglutaric Acid 3512 4352 6478 6068 3871 4195 4450 3748 4613 4769 5297 5565 5277 6789 5361 5497 4830 4901 6160 5723 5850 6336 2897 3086 5618 6261 7359 6660 3904 3017 4113 3929 5273 4424 4641 4784 4452 4118 5869 6488 4667 5091 7188 6040 4185 4578 4444 4925 2915 3805 5548 4797 6302 6058 2633 3259 6461 6292 3659 3662 5311 4758 4180 3911 5101 5878 3384 2745 2784 3945 3899 4028 5998 5928 6142 6676 5884 5380 4518 4503 1922 2086 6867 6627 4856 4819 7311 6929 4051 4015 C00026 146.0215 *146.0438* 146.0438@3.0060904 1 1 1 1534 1761 1179 1 1 1 1 1 1 1 1 1 1 1 4294 1 1 1563 1654 1 1 1 1 1 1 1 1 1 1 1 1 1092 1261 1532 2532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4942 5435 1 1 1 1796 1 1 2571 2668 1352 1178 1 1 1 1 1 1 1 2307 3139 3074 1873 4054 146.0438 *146.0472* 146.0472@3.032383 1 1 1 1 1 1 2255 1 1 1 1642 1 1 1 1 1 2622 1 1 1 1 1 1 1 1 1 1 1298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0472 *146.0527* 146.0527@3.0233603 1 1 1 1 1 1 1 2407 1 1 1 1564 2793 2326 1208 1 1 1 1408 1762 1 1 1 1 1 1 1 1 1 1 1 1 3974 3987 1 1 1 1 1640 1563 3164 5155 1674 1 3300 3615 1 1529 1475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0527 *146.0568* 146.0568@3.0199466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0568 *146.0668* 146.0668@1.0209987 1 1 3177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0668 *146.0671* 146.0671@1.2341437 4545 4695 5072 5504 4426 4960 4587 4424 4581 4674 6260 5710 5073 5297 5064 5480 4249 4029 5519 5627 4869 5593 3723 2642 7506 6925 4731 4835 3857 3420 4305 5429 4924 4759 5195 4950 4312 4633 5407 5724 4998 4906 6658 6413 4186 3909 4628 4921 3895 3685 5609 5273 6676 7592 5384 4276 4969 5750 3844 4664 6253 5915 5030 1 4689 5199 3534 4152 4726 4930 3747 3748 6216 6010 7223 6552 5399 5560 1 1 3773 3630 6204 6758 4724 4573 7972 7526 4399 4447 146.0671 *146.0679* 146.0679@0.9933225 1 1 1526 1 1 1 1 1 1 1 1 1 1 1 4546 1 1 1 1 1 1147 1 1 1 1 1 1 4140 1 1 1 4832 1 1 1 1 1 1 3982 1 1 1 1 1 5187 1 1 1 1 1 1 1 1 12966 4765 1 2781 1 1 1 1 1 1 4789 1 8287 1 2820 1 1 1077 5584 1086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0679 *146.0687* 146.0687@1.1012279 1 1 1 1 1 1 1741 3491 1 1 1 1 1 1 1 1 2404 1 1 2632 9246 1 1 1 1 1320 1 1 1 1 1 1 2169 3101 1 1 1 1 1 1 1 1 1 2437 1893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4908 1 1 1 1 1 1 1 1 4174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2471 146.0687 *146.0712* 146.0712@1.0070019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0712 *146.0715* 146.0715@1.1495347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2829 1 1 1 1 1 1 1 1 1 1 1 1 1713 1 1 1 1 1 1 1 1 1 1 2901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1451 1 1 1 1 1 1 1 1 1 1 1 3524 3852 1 1 1 1 1 1 1 1 1 1 146.0715 *146.0782* 146.0782@1.0880386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1337 1 1 1 1 1 1 1 1 1 1 1 146.0782 *146.0819* 146.0819@6.097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0819 *146.083* 146.083@4.5911107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.083 *146.0836* 146.0836@6.013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0836 *146.0908* 146.0908@1.0230268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2059 1 1 1 146.0908 *146.1006* 146.1006@1.0477742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1580 1 1055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1200 1 1 1 1 1 1 1 1710 1 1 1 146.1006 *146.1052* Lysine 2422 2064 1 1 3818 1 1 1 4497 3176 1 1 5546 1 3255 1 1 6261 5164 1 4432 2605 1 1 1 3884 3511 5454 1 1 1 3454 4472 4454 1 1 1 4965 4814 4678 3498 5164 5012 4354 4148 3943 4669 1 1 6084 5045 1 3542 6237 4048 1 1 6112 4038 2730 4873 6834 6743 4936 3779 5411 4581 1 4368 4188 2618 2889 1 6823 4594 3591 1 4114 1 3082 2551 2565 2947 4190 4750 4843 2809 1 5174 3485 C00047 146.1052 *146.109* 146.109@1.000999 1 1 1 1 1 1 1 1 1 1 1 1033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.109 *146.1714* 146.1714@0.8777968 1867 1 1 1 2320 2289 1 1 1 1 1 1656 1 2005 2080 1954 1801 1864 1 1 1 2005 1983 1515 2153 1 1 1 1 1915 1757 1817 1 1862 1662 1893 1 1 1961 1853 1991 1690 1919 1 2144 1 1353 1 1480 1251 1 1 2190 1 1869 2160 2150 1803 2067 2232 1 1 1 1 1 1 1 1 1 1 1750 1833 2027 2126 2309 2151 1 1657 1279 1305 1 1 1 1715 1 1 2023 1834 2298 1 146.1714 *147.0314* 147.0314@4.8513556 1 1 1 1 3362 2949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6060 1 1 1 1 1 1 1 1 1 147.0314 *147.0323* C8 H5 N O2 1534 1 1 1 1 1 1 2974 1 1 1 1 1 1 1 1 6589 6692 1 1 1 1 1 3878 1 1 1 1 1 1 1 1330 7289 6607 6913 7850 6619 7417 2638 1 1 2088 9795 8824 1 1 2447 1 1989 1 2480 5770 1 1 9168 9944 1166 4203 8049 2636 1 1 1 1 4380 3525 3372 1 1 3076 1 1065 1 1 1 1 1 1 4662 1602 1303 7183 1 1 3061 3518 6349 6767 1 1 147.0323 *147.0557* C5 H10 Cl N3 1 1 3209 1 3695 3939 1 1 4670 5378 1 1255 5929 4934 3138 3439 1 6595 6766 3009 3225 1 5742 5783 1 1 1 1 1 1426 5632 5382 8391 7558 4808 5121 8740 8840 7546 8021 3974 8055 7114 6490 1 2684 5806 5899 6209 1 4085 4496 6166 5999 1 3172 3273 1 3092 5863 4848 2407 4215 3709 1425 4240 3262 1 4578 4553 7801 6747 3613 4021 3659 3070 5038 5113 6979 5623 5490 6286 4818 4624 6654 6513 2685 3419 6818 6984 147.0557 *147.0568* 147.0568@3.0476303 1 1 1 1 1081 1140 1432 1389 1444 1445 1360 1479 1280 1489 1 1 1332 1672 1767 1416 1 1447 1 1 1 1 1 1 1 1 1414 1580 2219 1853 1 1 2508 2137 1662 1 1909 1457 1263 1767 1787 1 1778 1399 1 1505 1616 1551 1 1735 1 1 1 1 1672 1443 1685 1379 1318 1486 1 1094 1 1 1182 1076 2142 2051 1 1 1032 1 1024 1 1587 1639 1528 1522 1 1108 1885 1661 1 1200 1583 2178 147.0568 *147.0594* 147.0594@3.0482652 1 1 1 1302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1418 1 1 1 1084 1252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1361 1 1434 1 1 1 1 1 1 1 1 1 1067 1 1 1 1 1 1 1 1038 1 1 1 1 1363 1 1 1 1 1 1 1 1 1 1 1 1 147.0594 *147.0595* 147.0595@1.104336 1 1 1 1 1 1 1 1 1 1 1663 1 1 1 1 1 2170 1 1 1 1 1017 1 1 1 1 1 1225 1855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2657 1 1 1 1 3263 1 1 1 1 2402 1 1 1 1 1 1 1 1 1 1 1 1 1652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.0595 *147.0636* 147.0636@3.0679374 1 1 1302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.0636 *147.0721* 147.0721@4.8982954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1827 1 1 1 1 1 1 1 1 1 1 147.0721 *147.0824* 147.0824@6.014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.0824 *147.0868* 147.0868@1.159696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3340 1 3003 2987 3777 1 1 1 1 3465 1 1 1 2668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1576 1 1 1477 1 1 1 1134 1 1978 1482 1 1 1 1 1156 1569 1 1 1 1707 1 1 1289 1 1 1 1 1 1 1 147.0868 *147.0872* 147.0872@1.2909615 1 1 1 1 1 1454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.0872 *147.0874* 147.0874@0.9889852 1 1 1 1 1 1 1 1 1 1 1 1 1 1492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.0874 *147.088* 147.088@1.8259996 1 1 1 1 1 1 1 1 1 1 1 1175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.088 *147.0881* 147.0881@1.1603307 1 1 1 4677 3200 3005 2582 2968 1 4523 3163 1 3575 3458 1793 3178 1 1 1 3042 2703 2897 1 1 2568 1979 1 1 3528 3035 1 1245 1781 1 1 1 1 1 1505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1168 1064 1 1 1 1 2075 2235 1025 1 1 1 1 1 1 1 1 1 1 1 1528 1 1 1 1 1 1 1 1 1 1 1704 1 1 1496 1 1084 147.0881 *147.0883* 147.0883@1.0531762 4892 5157 4374 1186 1 1 1 1590 3511 1 1 3201 1688 1 1 1623 1 1399 1 1 1 1 1 1 2055 1 3346 1 1 1308 1 1 1 1 1724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2420 1870 1 1 1 1 1 1 1 1 1 1 147.0883 *147.0886* C6 H13 N O3 + 2.96301 2374 2826 2031 1865 2605 4392 1440 1922 1 1354 2139 1 1 5426 1934 2397 1406 2486 2684 3947 3228 4354 2274 2897 4861 1165 2128 1864 5258 2093 1814 2397 2175 2724 1939 5396 2266 4692 1 6367 2113 1 2449 2518 1 2239 1 1288 4284 4001 2022 2345 2321 2023 2264 2060 3049 4384 2222 1468 1839 1891 2657 3617 1821 1799 1909 2260 1368 2392 1059 1 1 1926 5478 1778 2052 1 3648 2343 2342 1 3228 1725 1717 1777 1781 3601 3347 2167 147.0886 *147.0889* 147.0889@1.5394859 1 1 1 1 1 1 1 1 1 1 4886 5560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.0889 *147.089* C6 H13 N O3 5997 6072 6946 7195 7394 5819 6696 6369 6149 4817 8703 8900 8959 9132 9728 10010 8976 8486 8920 9597 5493 7114 4251 4133 8596 8398 10443 8477 4844 3485 8137 8529 9769 8857 7652 7909 7306 6028 10636 13154 10062 7316 10015 9064 8203 5964 6239 8168 7802 8199 7194 7669 5953 6612 5285 4972 11513 10857 5188 4424 12162 10098 6756 6424 9506 8510 5916 6420 9857 8003 6817 7446 9823 10002 9852 9357 8296 6430 11534 16657 4802 6808 8881 10286 8563 8502 11296 11042 4515 4935 147.089 *147.0891* 147.0891@11.0339775 1 1 1273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.0891 *147.1009* 147.1009@0.9039607 1 1 1 1 4458 5333 5883 5825 1 1 1 1 1 1 8617 1 1 1 1 1 5371 1 1 1 7193 6662 1 1 1 6761 5282 1 1 1 8081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9466 1 9000 1 2766 3044 4520 4850 1 1 1 1 1 1 1 1 1 1 11435 1 6045 5253 7155 6235 1 1 1 1 1 1 1 1 1 1 1 1 9576 1 147.1009 *147.1011* 147.1011@6.7789764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1884 1762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.1011 *147.1054* C10 H13 N 11456 11932 10593 13078 1 1 1 1 13477 13553 8793 10549 11727 13830 1 1 7182 7139 11284 12412 1 5805 15900 15184 1 1 13936 14037 6266 1 1 6023 14699 13047 1 7306 15608 16660 13543 13786 11448 13017 14163 14347 10906 9779 11428 12299 9017 10523 9183 1 1 7554 1 7842 1 1 1 1 21360 21669 16754 17067 13825 1 11450 11150 21862 21805 1 7236 1 1 1 1 16317 16936 9494 10185 15062 16805 6689 7961 7162 6628 18536 17807 1 7553 147.1054 *147.9279* C3 O3 S2 18124 18493 18414 18642 19096 19033 19709 19365 19108 19333 19417 18640 19516 19403 20446 19916 19883 19584 18705 18993 20142 19755 20177 20462 18906 19605 19614 19093 20085 19996 20406 18407 18993 19972 19206 20735 20457 20734 18229 18351 18852 18421 19008 19976 20058 20743 19241 20022 20067 19931 19685 19835 19223 18714 19299 19367 18962 18814 19826 19852 20089 19375 19008 18882 19109 19464 20556 16072 20003 19257 19202 18993 16561 19778 19690 18995 18867 19875 18406 18090 19942 19495 19946 19925 18241 19964 19029 19122 19049 19620 147.9279 *147.928* 147.928@0.87851435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3729 1 1 1 1 4132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.928 *148.0111* 148.0111@2.3418362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6031 1 1 1 1 1 1 1477 1 1 1 1 1 1 1 1471 1 1 4128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1018 1 1 1273 1 1 1 1 1 1 1 1171 1 1 1 1 1 1 1 3297 3503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0111 *148.0113* C6 H9 Cl S 2230 4163 5524 5645 4863 4931 5341 5612 5064 4773 5209 6750 4364 5143 7884 7452 3007 4165 4553 2965 2962 1546 6507 7065 5031 5713 4513 3962 4461 4328 6242 6567 3968 4098 5331 4819 3943 4176 5332 5584 4656 4493 5861 5564 3493 3413 5994 3732 1725 6306 2463 6638 3771 5503 6135 7014 1895 6015 4975 4728 5775 5640 4699 4547 7592 6343 1595 4580 2548 1655 4559 3925 5779 6118 6696 6710 6034 5757 4628 4843 4275 3943 6011 3298 6347 6517 6809 4464 5034 5525 148.0113 *148.0119* 148.0119@2.6768303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3427 1 1826 1 1 1 1 1 1 1 1 1 1 1 1 1 2968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0119 *148.0121* C3 H4 N2 O5 1 1 1306 1 1 3231 2727 2497 1 1 1 2415 1430 1 1625 1542 1 1 2205 1689 1 1729 4762 4947 1 1 1446 1 1 1 1 2797 3040 1 1 1 2596 1966 1 1 1 1 1979 2071 1925 1 2517 1 1653 1253 3238 2471 1457 1 3000 1816 1 1 2002 2639 1 3231 1817 1 1 1 1660 2881 1 1138 1 2512 1 2949 1 1 2480 1974 1 3212 1 2382 3012 1 2654 1761 1 2865 3208 2520 148.0121 *148.0121* 148.0121@3.40505 1 1 1 1 1 1 1358 1210 1 1053 1 1 1 1 1245 1436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1410 1217 1 1 1 1 1 1351 1 1 1 1 1287 1541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1218 1199 1 1 1 1 1 1 1 1 1 1 1 1 148.0121 *148.0152* 148.0152@7.9406724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1426 1075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1247 1 1 1 1 1 1 1 1 1 1 1 148.0152 *148.0153* 148.0153@9.01549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0153 *148.0158* C8 H4 O3 5880 5904 3468 4225 4173 4098 6252 5674 4402 4456 4896 5017 5618 5660 4502 4959 4495 4614 4197 4226 5850 6048 6600 6498 6441 5974 4283 4140 5568 5341 4543 4162 5037 4467 5759 5389 4951 5157 4119 4958 4190 4227 4926 3806 4243 4288 4490 4383 3950 3819 6034 6752 5816 5603 5529 5789 4648 5364 4529 5089 4668 4753 4456 4743 4711 4385 4805 4966 5183 5086 3870 4128 3906 3846 4191 3740 5111 4977 4528 4688 4986 5252 5232 4413 4920 4772 5069 4994 4468 4123 148.0158 *148.0159* C8 H4 O3 + 11.647859 19035 19386 19852 1 1 1 20641 19492 20548 1724 18834 17919 19346 20223 5578 19625 1447 19699 18737 1 19050 18965 18868 19135 6010 5295 17468 1 1922 5333 16390 18598 17695 18331 18406 19508 17371 1580 17427 18463 1 18219 5853 4536 19197 1449 17522 18478 1 1 18194 1 1 1 1 17143 9756 1 1 1 1 1023 17487 1 1976 17206 16763 1108 1487 1 3761 1 17618 16283 17059 16636 1255 2030 16421 17257 15248 16502 1335 17400 1 1 1648 16677 4620 19096 148.0159 *148.0161* 148.0161@11.720748 1 1 1 1 1 20463 1 1 1 1 1 1 1 1 21407 1 17339 1 1356 1 1 1 2062 1 1 1 1279 1 1334 1 1 1 1 1 1064 1 1 21159 1 1 1 1 1089 1 1 19722 1 3288 18360 1 1 1 17448 1 1 1 1300 17485 18222 1 16100 1 1 17552 1 1 1 13174 1 1 1 1 1 1406 1 1 1 14801 1890 1 1 1599 1 1 1 1 1 1 1 1 148.0161 *148.0161* 148.0161@2.2120106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0161 *148.0162* C8 H4 O3 + 11.525963 1 1 1674 6511 1 1554 1451 2171 2056 4894 5673 5927 1979 1905 2133 2247 1 1085 1809 1592 1 6220 1767 2067 2118 1697 1893 4668 5264 1699 1685 5441 1190 1388 1973 1 1 1 1723 6509 1721 1 1 1 1319 5506 1711 5317 1542 1 5442 5422 1537 1595 1755 1717 4150 1544 1652 4594 2148 5158 5340 1874 5189 1312 1322 1345 5870 4876 1 4427 4550 5236 5457 1608 4174 3845 2211 1605 1628 4776 4037 1721 1654 3644 4661 5850 1668 1476 148.0162 *148.0162* C8 H4 O3 + 11.641764 5996 5305 6032 20217 18702 6850 6411 6397 5982 19222 1 1 6704 6166 1 5277 5514 4508 6253 26088 6300 1659 5382 6913 20047 18639 5901 18261 18212 17194 4925 1 6295 5441 5219 4750 4680 5084 4945 1 24842 5081 17011 16512 5352 1 5032 1 5319 17089 1868 18234 5113 23475 17449 4206 5871 5194 4294 16900 5326 17682 1 4725 16061 5761 1 4971 16396 16473 16220 15760 1 1 1 4572 15208 1 4760 4259 1 1 15864 5133 17634 16794 17162 1 16385 3698 148.0162 *148.0524* p-HYDROXYCINNAMALDEHYDE 6364 139151 177306 8021 5233 5358 145444 5586 110174 111836 190468 191218 139726 142164 146061 148135 9317 196738 6600 127413 136310 138396 5269 4640 152730 154725 157105 154132 159881 159916 165570 166203 6805 138113 149904 146263 4882 5218 5621 5484 7124 7426 6498 136696 5350 4335 6670 146867 151275 151037 6384 142373 8174 7936 5588 5484 6680 6520 4878 5552 135843 138059 163672 163491 218728 224123 4503 4549 182987 183283 130172 6002 191435 187897 158947 163881 147401 144296 4785 107845 121102 123139 177511 178845 5096 4829 262265 260909 4968 124909 C05608 148.0524 *148.053* p-HYDROXYCINNAMALDEHYDE + 6.348544 6888 7064 6858 5229 6445 6143 6220 5228 5943 5564 6319 6029 6817 6005 7232 6569 5819 5650 5576 5729 5552 5344 5307 5920 6097 6268 6510 5294 6631 5756 4841 4755 6200 6104 6341 5683 5313 5162 5739 5391 6558 6231 5352 5724 6535 5840 5234 4821 4883 5334 6477 7375 5904 5781 5081 5446 4955 4919 5947 5758 5414 5778 5103 4862 6619 5770 6402 5390 4860 4579 4156 4054 4926 5377 5354 5917 5169 5304 6288 5956 4589 4886 6314 5384 5665 5627 6231 5922 5371 4933 C05608 148.053 *148.0565* 148.0565@2.9691672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0565 *148.0611* 148.0611@2.977078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0611 *148.0652* 148.0652@3.7062001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1275 1399 1 1 1 1 1 1 1 1 148.0652 *148.0687* 148.0687@3.3780694 1 1 1 1 1 1 1 1 1 1 1 1631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0687 *148.0703* 148.0703@3.6473954 1 1 1 1 1 1 1 1 1 1 1 2143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2646 2308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0703 *148.0733* 148.0733@1.5605654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9758 12417 1 1 1 1 1 1 1 1 1 1 148.0733 *148.0734* 148.0734@1.8360838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18789 4265 1 1 1 1 1 1 1 1 1 1 148.0734 *148.0737* 148.0737@1.7720826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1153 1 1 1 1 1 1 1 1 1 1 1 148.0737 *148.0742* 148.0742@3.5280733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2787 6785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0742 *148.0751* 148.0751@0.8830142 1 1 1 1 1 1 1 1 1 1 1 1129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1445 1 1 1 1 1 1 1 1 1 1 1 1074 1 1 1 1 1 1 1 1 1 1 1 1 148.0751 *148.0785* 148.0785@0.8839857 1 1 1 1 1 1 1 1 1 1 1 1 1194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0785 *148.0801* 148.0801@1.2283591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1078 1 1 1 1 1 1 1 1 1583 1 1 1 1243 1 1 1 1 1 1 1 1 1 1 1 1112 2672 1 1 1 1 1 1 1 1 1 1 1 148.0801 *148.1093* 148.1093@4.5318336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1676 1725 1 1 1 1 1 1 1 1 1 1 148.1093 *148.1212* 148.1212@1.0055351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6853 8325 1 1 1 1 1 1 1 1 1 1 148.1212 *148.9963* 148.9963@4.3219976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.9963 *149.0065* C5 H8 Cl N S 2051 1852 1445 1894 2066 1463 1791 1044 2267 1957 2945 2182 1919 2233 2617 2859 2597 2330 1650 2053 1693 1954 1522 1273 2190 2544 1516 1530 2722 2671 2410 2805 1889 2256 1621 1860 2390 2554 1171 1164 2526 2288 2107 1901 2782 2905 2496 2709 2194 1 2309 2315 1907 1859 1832 2038 1515 1 2183 2559 2618 2833 1936 1986 1 1816 2000 1502 1952 1 2141 1901 2272 2721 1453 1193 1453 1336 1709 1842 2026 1547 2094 1709 1258 1818 2911 2281 1494 1843 149.0065 *149.0067* 149.0067@0.8525019 1 1 1 1 1 1 1 1244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 149.0067 *149.0481* 149.0481@1.5735431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4302 4663 149.0481 *149.0515* Methionine 28273 1318 1 2758 1954 1 1727 29077 1936 21432 5353 5343 25328 1874 1 1 29324 2333 1541 2964 1 1 1 1 1 1827 1905 1690 2668 1 4171 1 2086 24871 1 1 1 1 3177 24135 5014 5074 4402 2498 21094 20534 2127 29814 27039 26010 1 1 2504 1 1 1 1 2376 3632 2544 1298 1319 1330 2203 1 1 1 1 2957 2483 1 1 3299 4857 1948 22866 1 1 1 2237 1 1618 1670 1 1 1 4215 3871 1 29094 C00073 149.0515 *149.0517* 149.0517@1.283196 1 29318 1 1 1 1 30391 1 21544 1 49928 49597 1 23984 1 1 1 31284 23976 24914 1702 1 1 1 1 1 20725 20687 1 1 1 1 26108 1 1 1 1 1 26002 2230 44360 36408 37769 34428 1 1 27830 1 1 1 1 1 1 1 1 1 1 1177 1 1 1 1 1 1 1 1 1 1 1 1770 1 1 1 1 23234 1 1 1 1 1 1 1 1 1577 1 1 1 1 1 2233 149.0517 *149.0844* 149.0844@4.0662827 1 1 1042 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1285 1548 1 1 1 1 1 1 1 1 149.0844 *149.1016* 149.1016@0.89700574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 149.1016 *149.1049* 149.1049@0.8957917 1 1 1 1 1321 1 1 1 1 1 1 1 1077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1183 1 1 1 1 3321 3095 1 1 1 1 1 1 1 1 1 1 1 1 1 1666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4038 1 1 1 1 1 1 2626 2483 1 1 1 1 1 1 1 1 1 1 149.1049 *149.9252* 149.9252@0.83669317 5976 5353 5918 5864 5720 5988 6053 6205 6651 6450 6041 6581 6340 6149 6360 6202 6660 6201 1989 6325 6628 5866 6079 6225 5824 5775 6460 6169 6072 6239 5796 6143 6453 6152 6424 6214 6856 6555 6309 6127 6261 6137 6164 6480 6200 6432 6117 6365 6909 6482 6771 6166 6120 6020 6303 6100 5008 6388 6304 5959 6146 6095 6558 5720 5879 6143 6409 6353 6428 6431 6161 6571 6262 6153 5944 5631 6505 6487 6087 5996 6708 6195 6678 6694 6563 6641 6453 6108 6403 6277 149.9252 *149.9695* 149.9695@3.4047916 1 1 1 1 1 1 1632 1781 2314 1784 1 1 1 1 1351 1498 1 1 1652 2001 1 1 1 1 1 1 1461 1477 1 1 1676 2113 1 1 1 1 1486 1634 1382 1599 2836 3142 1 1 1 1 2126 2171 1 1 1514 1171 2316 2582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1397 1340 1 1 1 1 1 1 1711 1555 1 1 1249 1054 1 1 1 1 1 1 1 1 149.9695 *149.9775* 149.9775@0.7966054 1531 1859 1740 1 1628 1541 1696 1391 1770 1831 1 1539 1824 1558 2020 1569 1434 1614 1 1524 1593 1953 1828 1823 1644 1930 1682 1 1853 1616 1 1 1 1723 1843 1695 2358 1830 1713 1837 2088 1838 1853 1887 2133 1726 1472 1 2081 1947 1785 1669 1717 2051 1 1643 1755 1652 1494 1958 1832 1758 1698 1909 1716 1641 1686 1914 1824 1882 1937 1906 1626 1856 1714 1846 1732 2202 1 1830 1 1885 1956 1967 1863 2050 1626 1718 1 1814 149.9775 *149.9912* C6 H2 N2 O S 1 1 1 1179 1 1 1 1 1 1 1 1 1 1 1049 1 1 1 1 1 1181 1434 1782 1526 2039 2179 1 1 1670 1157 2935 2885 1 1 2628 3343 3297 3387 1 1 1 1 1 1 1 1 1 1 1 1291 2389 2839 2158 2448 1991 2007 2657 2326 3084 2628 2343 2336 2917 2578 2224 1700 1774 1 1 2299 2745 2658 2403 2612 1567 1931 2311 2495 5619 5760 1996 1667 3038 2838 2410 2325 1638 1740 2166 2058 149.9912 *150.0274* C6 H11 Cl S 5026 4661 5764 5198 4323 4362 4467 4928 5252 4512 5210 4264 5043 5518 5815 5141 5862 5046 4401 4650 4966 4457 6731 6563 5688 4719 5653 4981 6350 5403 5613 5848 6076 5511 6562 6469 6987 6935 5707 6424 5653 5973 7067 6357 5638 6594 5989 6855 7165 7240 6603 6591 7141 6821 6447 6650 6552 5462 6757 7185 5598 6780 5978 6879 6739 6079 6238 5941 4952 7311 5254 5916 5954 6382 5536 5975 6049 5955 6369 5384 6320 6160 7407 6927 6880 6738 5381 6563 6603 5433 150.0274 *150.033* 150.033@5.3556285 1 1 1 1 1 1 1 1 1 1 1 1 1160 1023 1 1 1 1 1 1 1 1 1 1 1 1 1380 1588 1 1 1 1 1577 1509 1 1 1 1 1455 1240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.033 *150.0401* 150.0401@0.91100854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0401 *150.0405* L-gamma-Cyano-gamma-aminobutyric acid + 0.890694 6325 7455 5955 5472 7950 8841 7743 8312 6937 6757 7460 7015 5109 5191 5290 5378 7537 6780 5354 6098 6714 7185 5325 5254 7688 7708 5115 5174 6847 7004 7459 7268 5303 5107 6584 6620 6298 1 5212 5063 5832 6475 5186 5843 5667 5909 7531 7417 6095 6282 7216 6864 8923 8200 6786 6831 1 6766 6686 6959 9080 2960 7055 6529 6749 6456 6790 7198 6190 6949 5891 5669 8273 1 7097 6906 5845 5915 4598 4986 6004 5688 6351 6500 5719 5611 6961 6857 7862 8536 150.0405 *150.0554* 150.0554@1.2459888 1 1 1 1 1 1 1 1 8536 8877 1 1 11070 11523 1 1 1 1 13758 12551 1 1 1 1 1 1 1 1 1 1 1 1 18390 53584 1 1 1 1 10166 31813 1 9501 1 1 11149 40272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0554 *150.0638* 150.0638@1.2440301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0638 *150.0863* 150.0863@1.2460452 1 1818 1 1 3722 4255 1795 1 1 4641 1 1 1 1 1954 4399 1 1 1871 3040 1 1 1 1 1 1 1 3892 1 1 1 1 1 2619 1 1 1 1 1 2680 1 1 1 1 4898 1 1 2047 1901 1 1 1 1 1 1 1 1 1 2766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4560 2969 1 1 1 1 1 1 1 1 1 1 1 150.0863 *150.0875* 150.0875@0.7420769 1 4521 1 1 1 1 5309 6392 1 1 1 4531 1 1 9953 1 7229 1681 1 6709 1 1 1 5181 4625 5183 2859 2594 1 1 5463 1 1 4224 1 4573 1 1 1 1 1 1 1 1 6228 1 1 1 1 1 1 3583 2801 1 1 1 3629 2296 5652 1 1622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4858 1 1 3612 1 3769 1 1 1 1 1553 1 150.0875 *150.0879* 150.0879@0.6850026 3784 1 1 1 1 1 1 1 1 1 1 6150 1 1 1 1 1 7846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3098 1 1 1 1 1 4179 1 1 6490 1 1 1 1 1 1 1 1 1 2472 1 1 1 1 2536 1 1 1 3718 1 2258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2406 1 1 1493 1 1 6497 1 1 1 4091 1 150.0879 *150.0879* 150.0879@1.0609715 1 1 1 1 1 1 5697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0879 *150.0881* 150.0881@1.1274253 1 1 1 1 1 1 4698 1 1 4179 1 1 2938 1 1 3746 1 2761 1 2837 1 1 1 1 1 1 6471 1 1 1 1 1 1 1 1 1 1 1 1 3591 1 1 1 1 1 1 1 1 1838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0881 *150.0882* 150.0882@2.4720387 1 1 1 1 1 1 1 2366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0882 *150.0883* 150.0883@0.6384272 5302 1 1 1 3048 1 1 1 1 1 2566 6476 5105 1 4972 1 6570 3269 7015 1 6859 1 1 1 1 4483 1 1 4394 1 6960 1 1 1 2778 1 1 1 6630 1 1 1 1 4529 8165 1 1764 1 1 1 1 1 1 1 1 1 2584 1 1 1 4170 1 1 1 1 1 1 1 1 1 1 1 1928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0883 *150.0886* 150.0886@3.9733572 1 1 49603 49647 1 1 1 1 11047 10709 1 1 20654 20002 1 5992 11558 10519 1 1 20410 19427 1 1 7258 1 1 1 1 1 1 1 6689 1 6161 6197 1 1 4917 1 1 1 8381 7881 1 1 1 1 6314 5727 1 1 1 1 42177 5493 1 1 50261 49589 1 1 1 1 1 1 1 1 1 1 15271 16096 1 1 13858 13871 1 1 1 1 78830 73498 1 1 1 1 1 1 19562 20648 150.0886 *150.0886* 150.0886@3.420663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5028 1 1 1 1 1 1 1 1 3436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0886 *150.0887* 150.0887@2.9839063 10038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107372 87970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13588 1 1 1 13392 1 1 9940 1 1 1 1 5879 1 12278 16039 1 1 12113 1 1 1 1 6143 18676 1 1 18987 1 1 8993 14021 13318 1 1 1 11535 10566 16747 7778 6887 11673 17865 1 1 1 150.0887 *150.0887* 150.0887@3.0189674 1 1 1 1 27289 1 1 1 1 27292 1 1 1 1 1 26994 1 1 1 1 1 25180 1 1 1 1 1 1 1 25647 1 1 30286 33898 25836 1 24085 1 1 1 1 20983 1 1 1 1 1 1 1 23625 1 1 1 27410 1 20736 15910 20381 1 1 1 1 1 20388 1 24028 1 1 1 1 22846 1 1 22229 1 1 1 1 18370 19403 1 1 1 1 1 1 1 22077 1 1 150.0887 *150.0888* C6 H14 O4 + 3.1598327 62806 60505 63105 66805 58853 145706 74496 65624 73568 69076 88167 94894 76331 76777 76431 41044 63464 6732 78296 80844 75097 41026 93509 70480 91421 92774 85545 68477 68838 76241 67345 1 42486 94841 71073 78632 80364 87170 72350 13620 75449 57480 76787 62949 61316 47204 1 51950 52326 54054 42232 61257 45852 54879 62016 53321 47981 49768 60026 49863 37858 50495 49548 53150 59267 49374 53532 52367 43214 46533 36749 48634 47186 35247 50394 40773 60179 57586 1 1 56249 52494 52570 41219 43244 53668 50093 39895 38789 48881 150.0888 *150.0888* 150.0888@3.5851212 7703 1 1 6565 1 1 1 1 1 1 1 1 1 7671 1 3067 1 1 1 1 1 1 1 1 7128 1 1 1 1 1 1 1 7932 1 3417 11528 1 1 2158 1 1 1 8238 6790 1 1 1 4289 1 1 1 1 4768 4672 1 6432 3758 1 1 1 1 1 5210 1 1 1 1 1 6274 4510 1 1 5894 1 1 1 1 1 1 3767 1 1 1 1 7470 1 4129 1 5295 5946 150.0888 *150.0889* C6 H14 O4 1 87080 102637 115868 81572 1 113690 109276 90852 84599 104307 85322 100818 116738 115366 85068 133407 126243 123757 112186 112349 97413 96956 99921 107329 98572 83750 95553 130787 104251 133623 147671 1 61437 103386 125924 74815 89647 111564 86657 105577 88165 123195 122549 94405 103585 1 75446 73597 72134 80647 71879 89463 69081 82765 71039 74800 69471 71099 51480 68855 90314 77572 63535 64682 71918 73301 78851 62963 99087 68630 59827 95692 53687 90772 98216 77638 81932 268960 237801 69728 81937 73036 59361 94165 73635 64895 74674 80536 1 150.0889 *150.0911* 150.0911@4.0646176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16550 16037 1 1 1 1 1 1 1 1 1 1 1 42110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0911 *150.1336* 150.1336@0.9521986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1825 1 1 1 1 1 1 1 1669 1 1 1 1 1 1 1041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1236 1 1 1 1 1 1 150.1336 *150.1923* 150.1923@3.0721865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2511 2881 1 1 1 1 1 1 1 1 1 1 150.1923 *151.0149* Flucytosine + 0.99118036 8035 1 1 1638 1 1 9865 1 1 9040 1 1 1 7207 8969 8064 9334 1 8235 1 6432 1 1 7978 7878 1 1 6313 7769 8732 1 8066 1 6403 6600 2253 1 1 4504 1 1 1 8302 6932 8222 3922 12793 11770 1 1 8534 1030 1 1 11085 2128 4014 1 1 1 10100 7561 8554 7287 1 1 1 1 6638 1 7475 1 1 7450 1 1 8369 7962 1 1 7107 6262 1813 8212 7545 1 1 1 1 1 C07003 151.0149 *151.0152* Flucytosine 1 8996 6191 5979 6627 5889 1 8385 8537 1 8172 7255 6063 1 1 1 1 9371 1 8419 1 6592 9139 1 1 7944 6384 1 1 1 7270 1 6459 1 2158 6688 9082 8529 1673 7009 8515 7807 1 1 1 4389 1 1 11623 10647 1 8716 9537 8350 1 1 4346 8467 9253 6818 1 1 1 1 7012 7164 7022 8800 1 7780 1 6846 7617 1 6112 6293 1 1 4977 4766 1 1 7151 1 1 7442 6155 6111 8312 7202 C07003 151.0152 *151.0248* C3 H9 N3 S2 109189 1 1 4533 147136 144489 124216 124012 111588 5742 1 1 88669 1 1 87721 98731 99211 1 4286 112085 112117 80803 80759 125165 126083 78425 76908 1 104180 103472 101811 1 1 99372 101243 92662 1 81198 79560 1 1 1 93850 98007 97451 111298 112113 81643 1 108591 111378 133088 133208 120079 1 101821 102903 120164 120803 110394 110338 61181 89023 108866 108152 1 81140 1 1 86874 88226 132531 133701 111981 1 92265 89972 3575 74317 95728 1 90385 87660 1 89877 112728 114217 122117 119104 151.0248 *151.0249* 151.0249@1.5383283 1 1 1 1 1369 1 1 1 1 1 1 1 1 1601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1018 1033 1 1 1124 1 2313 1 1 1 1 1 1 1 1 1 1 1 1 1 1723 1 4857 1 1 1 1 1 1 1 1 1 1 1967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1593 1 151.0249 *151.0263* 151.0263@1.2555383 10974 1 1 1 1 7198 1 1 1 6656 1 1 1 1 1 1 7089 1 1 1 7051 7299 1 1 1 13830 1 1 1 9883 1 1 1 1 9363 9173 1 10569 1 1 1 1 6788 7476 7796 1 7480 6800 1 1 1 1 21929 20584 1 16224 12784 1 1 1 1 1 12803 1 1 1 8835 1 1 1 8863 9341 8998 1 6186 6700 8882 1 1 1 15419 1 1 1 7535 1 19513 10331 1 1 151.0263 *151.027* 151.027@1.5374038 1 1 2946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1304 1 1 1 2625 1 1 1 1 1 1 1 1 1 1472 1 1 1 1 1 1 1 1 1 1 1 1222 1 1 1 1545 1 1 1421 1 1 1 2347 1 1 2692 1 1 1 1 1 1 1 2584 1786 1 1 1 1462 1 1 1 1 1 1 1 1 1922 1 1 1 1 1 1 151.027 *151.0302* 151.0302@1.2546341 1 1 1 1 1 1 6562 5657 7087 1 6763 6115 7267 7780 4960 5092 1 7313 1 4717 1 1 1 1 1 1 4637 4174 1 1 1 1 7969 6664 1 1 1 1 6011 5626 7563 6671 1 1 1 8082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0302 *151.0364* 151.0364@1.2549827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0364 *151.0562* 151.0562@1.2849602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0562 *151.0591* C3 H9 N3 O4 2331 2395 1596 1592 2883 2420 2596 3405 2037 2497 2658 2790 2094 1695 1890 1896 2886 1 2244 2405 2444 2402 2039 2005 1440 1392 2027 2224 2056 2194 2805 2893 2389 2424 2114 2217 1679 2245 1893 2171 3009 2874 1661 1 2053 1715 3034 2705 2804 2341 2069 2323 2728 2414 2654 2376 1723 1515 2638 2446 2981 3350 2034 1871 2166 2095 2108 2146 1918 1991 2212 2067 2659 2010 2027 1807 2397 1945 1977 1803 2018 2521 1992 2184 2262 2917 2690 2574 2096 2722 151.0591 *151.0638* 151.0638@3.594895 1 1 1 1 1311039 1332168 453472 438023 1 1 1 1 878912 885050 1 1 2268787 2267057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121306 118216 1 1 1 1 1 1 1 1 1235992 1201919 1 1 1 1 1 1 1 1 1145225 1133621 1 1 19622 19679 1 1 1 1 1 1 4636498 4849935 151.0638 *151.064* 151.064@2.9975464 1 1 1 1 6945 1 8757 9436 1 1 1 1 1 1 1 1 1 6561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15640 15999 1 1 1 1 1 1 1 1 4693 3417 1 1 1 1 1 1 1 1 1 1 25802 24660 151.064 *151.0654* 151.0654@3.790877 1 1 1 1 1 1 1 1 1 1 1 1 1651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0654 *151.066* 151.066@3.669774 1 1 1 1 1 1 1 10121 1 1 1 1 3836 1 1 1 1 1 1 1 1 1 1 1 1420 1 1 1 4175 5436 1 1 1 1 3210 2580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2170 4379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1613 1847 1 1 1 1 1 1 1 1 1 1 1 1 151.066 *151.0661* 151.0661@3.0450897 1 1 1 1 1 8264 1 1 1 1 1 1 5310 3671 1 1 6130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2700 1 1 1 1 1 1 1 1 1 1 1243 1 1 1 1 1 1 1 1 1 1 1 1 2616 2979 1 1 1 1 1 1 1 1131 151.0661 *151.0674* 151.0674@1.0655248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5801 5893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0674 *151.0692* 151.0692@3.6010237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0692 *151.0725* 151.0725@1.0473981 1 1 1 1 1 1710 2335 2535 2307 1 1793 2335 3001 3555 2582 1 1 1 1 3851 2243 2243 1 2475 1 1 1685 2139 1913 2941 1 1 2518 2107 1 1 4020 4348 2755 2631 1 2267 1 1439 2630 2621 2895 2983 1 1 1773 1994 4008 4491 1 1513 1 2320 3361 3287 2674 2703 2002 2475 1 1 1 1 3455 2709 1948 1886 1829 1916 1 1 1 2583 6132 5238 4539 3148 1 1 1389 1 1 1983 3642 4142 151.0725 *151.0763* 151.0763@2.989053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0763 *151.0851* 151.0851@3.4150195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0851 *151.0872* 151.0872@3.0297215 1 1 1 1 1 1 1 1 1 1 1 2206 1 1 1 1 1 1 1 1425 1 1 1 1 1 1304 1 1 1 1 1 1 1 1 1 1 1304 1 1 1 1 1 1 1 1 1 1519 1 1349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0872 *151.0892* 151.0892@3.0084124 1 1 1 1 1 1 1 1 1 1494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0892 *151.0908* 151.0908@3.1010494 5006 1 1 1 1 3896 1 9770 8500 8474 1 1 10391 1 1 1 12380 10151 1 1 1226 1 1 1 1567 6321 1 1 1 1 1 1 1 2046 1 3067 1 1811 1 8280 1 9125 1 2685 1 1 2084 1368 1 1 1 1 1 1 1 1 1677 6521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1285 2421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0908 *151.096* 151.096@5.2400246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.096 *151.119* 151.119@3.653432 1 1 1 1 1 1 1 1 1 1 8615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.119 *151.1667* 151.1667@3.6029367 1 1 1 1 1 1 4662 5390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.1667 *151.9436* 151.9436@0.7975132 1 1 1 1 1 1 1 1 1 1075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1538 1350 1261 1 1213 1079 1 1568 1 1 1 1 1001 1 1087 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1591 1387 1 1 1385 1143 1 1 1 1 1 1025 1267 1205 1045 1266 1 1 1 1 2026 1428 1075 1 1 1 151.9436 *151.9451* 151.9451@0.79901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.9451 *151.9497* 151.9497@3.5902302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1219 151.9497 *152.0151* 152.0151@1.0006108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1681 1652 1 1 1676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1768 1 1 1 1 1 152.0151 *152.0268* 152.0268@0.7780113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0268 *152.0346* 152.0346@1.2489974 1 2891 3133 1 1 1 1 1 1 1 1 1 1 1 3128 1 1 1 1 1 1 1 2772 1 1 1 1 1 1 1 1 1 1 1 1 1 4262 3224 1 4014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3579 1 1 1 1 1 1 1 1 1 1 1 1 3327 1 1 2380 1 1 1 1 1 1 1 1 1 1 3127 1 1 1 1 152.0346 *152.036* 152.036@1.689507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1905 1543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.036 *152.0366* C10 H4 N2 1 1 1 2681 1 2248 3850 2647 2509 2465 2507 2706 2469 2923 1 2512 2601 2431 2894 3004 2281 2095 1 1 1 1 1904 2273 1 2593 1 1 2404 2503 2889 2768 1 1 3721 1 3981 3595 2141 2305 2586 2644 3243 2883 2402 1 1 1 1 1 1 1 2650 1 1 1 3196 1 1 2617 1 1 2208 2104 1 1 3368 1 2456 1 1 2244 2684 2487 1 1 1 1 1 2498 3115 1 1 1 1 1 152.0366 *152.0438* 152.0438@1.6939725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0438 *152.0567* 152.0567@2.4166284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14417 6538 1 1 1 1 1 1 1 1 1 1 152.0567 *152.0584* N-Methyl-2-pyridone-5-carboxamide (Nudifloramide) + 2.8463671 1 1 99683 1 1 1 88644 32792 121650 1 173321 186821 86880 1 1 80388 58737 67019 109762 150373 41629 27840 55112 1 57268 51844 201375 193641 73337 60802 1 44062 277306 268216 10247 79682 9514 11031 163318 156991 79171 76966 112384 66672 91256 74210 30186 26459 149363 232844 144268 151683 1 97636 53275 86993 117243 207811 19890 1 41548 1 199713 195268 171880 161119 251784 234092 40793 44261 177895 172638 98230 103348 133303 128578 80749 68768 61350 99536 171089 98421 146763 140356 150607 149319 96031 92960 12088 62084 152.0584 *152.0584* N-Methyl-2-pyridone-5-carboxamide (Nudifloramide) + 2.9480572 7648 8594 22491 1 1 1 6226 49311 29716 1 1 52446 33227 1 1 18729 1 21024 29490 48452 9096 11966 22210 1 11725 15995 49261 49497 13333 22521 1 8222 62227 58614 21833 21845 8146 4006 41057 40062 16447 15995 24302 28442 26378 23708 11835 13502 49124 49995 44907 36346 1 37723 22045 22618 51793 58767 8773 8976 23008 13747 57189 1 1 46786 65679 5668 18262 16257 49106 52025 29455 29169 42078 44252 21460 24482 29959 29935 48240 66189 44263 55050 39680 45958 41123 40749 17521 21023 152.0584 *152.0585* 152.0585@2.99183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1492 1619 1 35952 1 152.0585 *152.0586* N-Methyl-2-pyridone-5-carboxamide (Nudifloramide) 1 11324 1 1 1 1 11463 11281 1 29006 1 1 26885 25572 1 21405 1 3669 41768 1 13533 12670 19427 1 19669 21293 66182 70967 6473 22296 1 11342 20004 68719 24200 7871 2328 7063 47115 1 20119 22290 29729 1 34705 26012 14954 12577 1 67487 37367 1 45740 1 1 24259 64132 1 1 32220 1 23907 55826 1 48761 52758 1 1 16702 22189 1 15000 27049 10776 1 13771 1 20982 25856 6602 1 40435 44075 40688 1 34478 30219 1 18951 21127 152.0586 *152.0618* 152.0618@3.1504614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2108 1 1 152.0618 *152.0634* 152.0634@1.0880386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1255 1 1 1 1 1 1 1 1 1 1 1 152.0634 *152.0676* 152.0676@0.9205368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0676 *152.0684* L-arabitol 3197 2990 2967 2917 2872 2390 3807 3920 2768 3558 2825 2926 2893 3296 3299 3158 2872 3422 4465 4682 4069 3765 5999 4661 2654 3037 3738 3604 4126 4218 1445 4492 3193 3688 3870 3573 5885 6002 5596 4556 4896 4686 3719 4442 3978 4203 3925 4148 4014 3273 4621 5551 4595 4588 3065 3019 2508 2554 6467 5983 4977 5567 5645 5247 2837 2611 2555 2841 3275 3930 5154 5417 2984 2718 2832 2818 5586 4570 4640 5225 4590 5372 3266 3306 5411 6850 3550 2858 6153 6562 HMDB01851 C00532 152.0684 *152.0857* 152.0857@4.79902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0857 *152.0902* 152.0902@1.1996993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1236 1 1 1 1 1 1 1 1 1 1 1 1 1 1926 1440 1 1 1 1 1 1 1 1 1 1 152.0902 *152.0944* 152.0944@6.11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0944 *152.0967* 152.0967@6.006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0967 *152.1085* 152.1085@4.5107093 1 1 1 1 1331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.1085 *152.1124* 152.1124@4.5068617 1 1 1 1 1 1 1 1 1 1 1578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.1124 *152.1135* 152.1135@4.5405035 1 1 1 1 1 1 1 1 1 1 1378 1280 1 1 1 1217 1 1 1068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1148 1 1 1 1 1 1 1 1 1 1 1 1 1 1138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1025 1 1 1 1 1 1 1 152.1135 *152.1143* 152.1143@5.346221 1 1 1 1 1 1 1 1 1 1 1 1444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.1143 *152.1145* 152.1145@4.0890365 1 1 1 1 1 1 1 1 1 1 1 1 1186 1399 1 1 1 1 1 1 1 1301 1 1 1 1 1 1 1 1 1343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.1145 *152.1183* 152.1183@3.48672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1640 2041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.1183 *152.1184* 152.1184@3.7503123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2950 2600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.1184 *152.119* 152.119@9.647689 1 1 1 1 1 1122 2879 1730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.119 *152.1191* 152.1191@4.6995955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3569 3873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1890 1 1 1 1 1 1 1 1 1 1 1 1234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.1191 *152.1196* Limonene-1,2-epoxide 1 1 1114 1 1 1 1 1 1 1 1 1 2391 2766 1 1 1 1 3230 3206 1 2014 1 1 1196 1 2176 1835 2290 2988 1 1663 1 1 1458 1 2536 2399 1561 1860 1 1 2024 1 1 1 1 1 3890 4272 2648 2468 1805 1577 1 1 1 1 5070 4955 1120 1642 1 1 1 1 1 1787 7477 6597 1901 1 1905 1859 4010 3974 1 1 2179 1987 1 1767 4210 3843 1 1 1621 1508 1 1 C07271 152.1196 *152.1198* 152.1198@4.398159 1 1 1343 1465 1370 1265 1 1 1 1 1 1347 1 1 1535 1537 1 1 1092 1378 13273 14031 1 1 1 1 1 1 1 1 64554 64084 1923 2241 1 1 1767 1720 8478 9687 1553 2030 1 1 1 1 1 1 1 1 1 1 1010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1822 1922 1 1 1138 1174 1 1 1 1 1 1 152.1198 *152.12* 152.12@9.616271 1 1 1 1 1932 1 1927 2974 1 1 1 1 1 1 1 1 1 1 1 1 1 1553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.12 *152.1252* 152.1252@5.5595317 1592 1 1 1 1 1 1 1635 1158 1 1 1 1 1 1 1 1 1 2212 2201 2326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1436 1 1 1 1527 1507 1 1 1 1 1 1 1 1 1 1 1366 1 1 1 1 1 1 1 1 1 1 1 1 1337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1721 1 1378 1 1 1 1 152.1252 *152.1282* C4 H16 N4 O2 1 1678 1 1 1410 1637 1032 1 1 1370 1 1 1412 1475 1538 1128 1 1195 1 1 1 2319 1 1350 1422 1178 1344 1353 1597 1551 1575 1033 1158 1375 1577 1663 1 1 1336 1290 1 1 1 1721 1506 1580 1461 1 2026 1777 1316 1439 1 1498 1270 1164 1485 1388 1432 1312 1 1575 1131 1226 1 1 1 1364 1324 1413 1158 1504 1 1 1137 1395 1510 1 1471 1370 1533 1 1482 1 1401 1 1492 1765 1382 1 152.1282 *152.13* 152.13@3.494227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4834 5990 1 1 1 1 1 1 1 1 1 1 152.13 *152.1719* 152.1719@3.5927093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2930 3079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1227 1193 1 1 1 1 1 1 1 1 1 1 7768 7457 152.1719 *153.0408* 153.0408@2.9852595 1 1 1 1168 17310 16288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12125 1 1 1 1 1 1 1 1 1 1 1 1 4426 4049 1 1 1 3886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0408 *153.0418* 153.0418@1.7070543 1 1 1 1 1 1 1 1 1 1 1 1 1045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1577 1371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0418 *153.0419* Aminosalicylic acid + 1.590819 1 4796 4648 5055 1444 2468 1 1404 1 1 1433 3030 1310 2479 1 2588 1 1 5140 2578 1 1740 5468 5429 1 1 1 1 5397 4372 5012 1284 2830 1 3176 3962 1 1 6111 4587 7857 6367 1695 7465 1 1460 2900 1 1 1918 1 1916 1 2403 1 1 1 1 1 1 3908 1 1 1 1 1 1 1 2623 1240 1 3739 1 2750 3828 2374 1 3979 6079 5857 5528 1 2697 2987 1 1 1 1 1 1 153.0419 *153.0421* 153.0421@2.0878499 1 1606 1437 1 1 1 1 1 2932 1 1 1 1 1915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1764 1 1071 1 1 1 2795 1 1 1 1 1 1 1 1 1679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0421 *153.0426* Aminosalicylic acid 1 4465 4058 4813 5205 2169 1990 2961 1396 1689 2450 4497 2835 2532 3395 3539 1707 2366 5538 6010 4888 5176 6445 4594 1760 1962 1 1 4724 6201 1029 2448 5324 3699 1623 2470 9266 6593 7852 2759 7701 6763 5147 4381 3213 4137 3468 1 3257 1259 2169 4379 6314 5440 5295 1435 1761 1704 4533 3924 5327 3003 1212 1940 3012 1689 2923 3501 3242 2941 2886 3699 2320 2624 3702 2858 4710 2720 8896 7508 7746 6884 1151 2459 5136 3528 1 3680 4291 6849 153.0426 *153.0426* 153.0426@2.0747654 1 1 1 1 1 1 1 1 1 1 1 1 1 1414 1 1 1 1 1 1 1 1 3763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4814 1 1 1 1 1 1 1 1 1097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1967 1 1 1 2793 1 1 1 1 1 1 3861 1 1 1 1 1 1 4090 1 1 1 1 153.0426 *153.043* Aminosalicylic acid + 1.660612 1 1 1128 1 2617 1 4010 2393 2236 1 1 1 1595 1095 1 1088 1 1 1 2517 1582 2270 1 1 1 1 1 1 1 1 3493 3489 2352 1 1151 2610 1 1 1 2037 1 1888 3383 1 1 2016 1 1 3116 1 1711 1011 5103 1801 4174 1 1 1 3973 1 1 1 1 3670 1 1879 1544 3242 1618 3568 2811 1533 2702 1 1 1760 1 1994 1984 1629 1 1 3627 2730 1 2185 1 1187 1 1 153.043 *153.0431* Aminosalicylic acid + 2.050458 1 1146 1 1274 1 1 1 1 1409 1 1 1 3168 3243 1344 1 1 1951 3803 3828 1 1 4214 5798 1 1 1 1 1 2438 1 1 1418 6849 4161 1 6064 7737 8717 6386 2279 5826 1 1 1311 3148 3529 1 5494 2566 7910 1 4565 4924 2106 1 1 1176 5504 3860 3669 2187 1 4785 1 1 1 1942 2696 1655 4088 2010 1 1 1 1 1647 1 7293 8204 9104 4493 2674 4096 4554 1482 1 1 2672 5244 153.0431 *153.0435* 153.0435@1.5799639 1 1 1 1 1 1 1 1 1 1 1 1 1487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0435 *153.0445* 153.0445@1.6889598 1 1 1 1 1 1 1 1 1 1 1 1 1122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0445 *153.0465* C4 H11 N O3 S 1 1 1 1 1960 1 1 4870 1 1 1 1 1 1431 1 1 1312 1 3912 1 4088 1 2217 1 1 1 1 1 1 2685 4036 5481 1277 2930 4415 1 5341 7857 1 3737 5004 5673 3305 1 1 1838 1195 1 1 3316 1 2371 1 4716 1 2942 1 1 3567 1800 5894 3270 4490 1941 1 1 2772 2243 1477 2243 1 4045 1 1 1 2181 1 2659 2227 6247 1 2150 2265 3002 1 1 1 1 1 1 153.0465 *153.0511* 153.0511@2.0458188 1 1 1 1 1 1518 6498 1 1 1 1 1 1 1 3212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4627 1 1 1 1 1 1 1 1 1 1 1 1 153.0511 *153.0513* 153.0513@2.9778426 1 1 1 1 1 1 2171 2267 1 1 1 1 1275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1594 1 1 1 1 1862 1741 1 1 2073 2771 1 1 1566 1701 1 1 1 1 1 1 2845 1 1 1 2047 1 1281 1 1 1 1 1 5559 1 8898 7222 1 1 1 1 1 1 1372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0513 *153.0515* 153.0515@2.1259048 1 1 1 1 1 2874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0515 *153.0516* C6 H7 N3 O2 1 1 33745 30862 45345 45714 42746 41104 1 1 1 37832 1 1 1 1 5020 1 1 1 46144 47214 1 1 45040 44924 1 1 34649 36531 39330 42772 1 1 44809 45127 1 1 1 1 33084 1 1 1 1 1 1 1 1 1 45577 48072 42649 1 42497 1 50123 47779 41621 45834 1 1 1 1 1 1 1 27024 1 1 28917 28847 48981 48685 38317 41906 1 1 37696 38026 1 32120 1 1 30706 29498 1 1 38664 43951 153.0516 *153.0536* 153.0536@2.96952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2147 1065 1465 1 1 1 1 1 1 1 1 1 1 1 1 1714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2981 3563 1 1 1 1 1 1 1 1 2736 1 1 1 1 1 1 1 1 1 1 1 153.0536 *153.0547* 153.0547@1.1033933 1 1 1 1 2204 1 1 1 1829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1318 1 1 1 1 1 1293 1 2034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0547 *153.0551* C6 H7 N3 O2 + 1.1763613 1 1226 1 1 1063 1 1 1 1960 1928 1 1 1 1 1 1 1301 1417 1 1 1159 1354 1195 1 1441 1389 1 1 1 1 1406 1188 1 1 1371 1482 1267 1 1 1 1 1 1126 1 2042 1969 1469 1613 1590 1377 1518 1 1402 1 1 1642 1991 1321 2446 1 1 1 1298 1 1191 1 1 1 1 1 1 1 1650 1760 1 1614 1015 1267 1 1 1173 1 1178 1624 1208 1 1065 1150 1 1105 153.0551 *153.0578* 153.0578@1.1830091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1046 1 1 1 1 1 1 1 1 1 1 1183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0578 *153.0616* 153.0616@2.119953 1 1 1 1 1 1 1 1 1 1 1839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0616 *153.0627* 153.0627@2.8554842 1 1 1 1385 7547 1 2990 8465 1 1 1 2970 1 1 4541 1 1 4054 1 2586 1 1857 1 1 1 1271 1 1 2026 2080 1 1 1 1 1 1 1 1 6591 1 1 1 1 1618 1 1 1 1 1 1 4150 1242 1 1 1 1 1131 1 1 1 1 1264 1 5643 1 1013 1 1 1 2174 1 1 1 1 1 1 1 1 1046 1 1 1 1 1 1 1 1 1 1 1 153.0627 *153.0637* 153.0637@2.8381946 1 1 1 1 1 1 3235 1 1360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2685 1 1 1 2099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0637 *153.0652* 153.0652@2.0942724 1 1 1 1 1 1 1 1 1 1 1780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2171 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 153.0652 *153.0654* 153.0654@2.0010374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3422 1 1 1 1 1 1 1 1 1 1 1 1 1165 1 1 1 153.0654 *153.069* 153.069@2.0129414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.069 *153.0699* 153.0699@3.2360656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0699 *153.0705* 153.0705@2.0261621 1 1 1 1 1 1 1 1 1 1 2510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1760 1 1 1 2156 1 1 1 1 1 1 1 1831 1 1 1 2497 1 1 1 1 1 1542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1264 1 1 1 1 1 1 1 1189 1 1224 1 153.0705 *153.0759* 153.0759@2.2240136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0759 *153.0765* C3 H11 N3 O4 7412 4935 9901 4189 1 1 8915 9965 1 4296 12671 1 3887 10929 5135 8032 12414 13635 1417 1 12070 1 8025 1 17854 7007 18186 1 4528 1 1 7878 11877 1 4902 1 1 1 1 3253 9000 9118 8558 9908 11932 6959 14119 12953 10241 1 1 5547 4281 9444 9852 6446 3443 1 8507 6515 6043 3223 10023 1 13128 5300 3051 4456 6936 11416 7260 1 12843 9171 10830 9871 10714 1 5112 7511 1 9743 1 3572 1 5183 9972 5860 1 10219 153.0765 *153.0766* 153.0766@2.2966042 1 2002 6079 10457 1 1 1 13217 1 6241 14575 1 1 1 1 9498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14491 1 1 1 1 1 1 1 1 1 1 1 1 5500 1 1 6796 1 1 1 6624 10262 1 1 1 1 1 1 1 6179 1 1 1 1 1 4153 2696 14887 13393 1 1 9354 20055 6736 1 9453 1 8934 6908 1 1 1 1 1 1 13291 18440 1 1 153.0766 *153.0777* 153.0777@3.2836895 1 1 1 1 1 1 1 1 1286 1 1 1 1 2086 1 1 1 3044 1 1 2072 1 1 1669 1 1 1 1 1 1 1 1 2460 1341 1 2199 1 1688 1 1 1 1 2029 1 1 1 1 1 1 1289 1680 1683 1 2428 2332 1 1 1 1 1 1 1 1 2025 2404 1 1038 1 1472 1 1878 1 1 3580 1267 1 1 3491 1 1 1310 1182 1 1 1779 2064 1 1722 1 1 153.0777 *153.0781* 153.0781@3.270612 1905 1 1 1 1 1 1 1 1 1 1263 3167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1857 1739 1 1 1 1 1 1 1990 1 1 1 1 1 1 1 1 1 1 1 2202 1 1 1 2017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 1 1938 1 1 1 153.0781 *153.0785* 153.0785@3.8728466 1 1 1 1 1 1 1 1 1208 1 1 1 1244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2077 1 2114 1711 1 1 1 1 1 1 1428 1508 1 1 1 1 1 1 1 1 1 1 1 1 153.0785 *153.0788* 153.0788@4.283454 1 1 1 1 1617 1077 1073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1420 1699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0788 *153.0807* 153.0807@3.2371101 1 2048 2121 2247 1611 2031 1604 1 1 1793 1 1 1341 1 1401 1600 2318 1971 1594 1 1 1 1 1 1 1616 1 1 1486 1321 1474 1990 1 1 1 1 1873 1 1 1762 1388 1928 1971 1763 1721 1504 1 1 1 1 1 1 2491 2264 1653 1655 1487 1850 1816 1681 1515 1705 1917 1946 1582 1111 1 1 1 1415 1 1 1643 1916 1 1749 2021 1344 2229 1 1 1 1365 1154 1 1 1 1 1609 1611 153.0807 *153.0813* 153.0813@1.2420077 1 1 1 1 1 1 1 1543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0813 *153.1149* 153.1149@4.379778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2107 2132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.1149 *153.1259* 153.1259@0.8739195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1501 1 1 1 1 2932 3289 1035 1 1 1 1337 1484 1659 1 2418 2639 1 1 153.1259 *154.0389* 154.0389@1.2138001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1545 1 1 1 1 1 1 1570 1349 1123 1 1 1 1 1 1 1 1411 1 1 1223 1 1379 1 1 1 1707 1 1 1 1 1 2588 2684 1518 2507 1 1 1 1 1 1 1 1 1 1 1 1363 1 1672 1 1 1 2524 1 1 1590 1 1 1258 1 1 1 1 1 1468 1 1 1157 1 2318 2685 1 1 1356 1371 154.0389 *154.0405* C3 H10 N2 O3 S 1545 1180 1 1 1250 1 1 1118 1311 1 1297 1549 1 1113 1 1059 1061 1 1633 1433 1 1 1 1 1 1 1722 1396 1047 1 1441 1 1957 2029 1 1427 1 1705 1090 1 1 1696 1428 1 1027 1007 1 1 1 1 1186 1 1547 1408 1 1 1097 1 1 1220 1066 1 1479 1 1203 1304 2559 1 1362 1172 1 1 1 1 1286 1401 1 1 1245 1 1013 1 1 1 1 1 1405 1816 1 1 154.0405 *154.0514* 154.0514@1.0547714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2795 3146 1 1 1 1 1 1 1773 1 1 1 154.0514 *154.0646* 154.0646@7.8232718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1139 1315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0646 *154.0657* 154.0657@1.2500349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1404 1338 1 1 1 1 3970 1311 1 1 1 1 154.0657 *154.0723* 154.0723@1.249006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0723 *154.073* C7 H10 N2 O2 + 3.2362437 630693 642494 3809 656180 620354 623850 650487 645418 648563 654348 630228 639388 650236 654967 642482 647956 655644 658943 651625 634822 632946 631529 650049 658773 594898 611156 645542 633641 622818 624012 645562 654995 668040 663065 665424 656778 653765 655392 658002 659865 645701 649934 658862 658656 633326 632831 659344 663524 630674 638098 567132 576178 627147 629323 587953 586417 607379 602689 640458 633276 617483 611272 644851 638118 640876 649441 637853 643083 636152 642927 621414 611477 615634 625341 639117 649425 626682 624429 638888 638357 589315 587167 641647 640049 623353 615196 631038 627537 636161 624243 154.073 *154.0744* C7 H10 N2 O2 2174 3225 652665 1434 4871 4470 2221 1581 1 1949 5689 5170 2534 2628 1 1 1 1 2887 2476 2448 1725 2119 2452 1253 1 11257 10910 1514 1270 3156 3242 2231 2784 2917 3400 1875 1945 2099 2654 2495 2516 2050 2003 1223 1 2496 2217 6088 7200 1514 1533 2425 2617 1180 1 1621 1691 1 1934 3723 4449 2703 2144 2752 2398 4666 4384 4158 3782 2268 1953 1620 1611 4269 4360 2707 2086 2871 3771 7536 8238 1308 1 6247 5803 2652 3030 1337 1601 154.0744 *154.0767* 154.0767@3.0398948 1 1 1 1 1 1 1 1 2058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0767 *154.0975* 154.0975@5.9279757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1081 1432 1 1 1 1 1 1 1 1 1 1 154.0975 *154.0987* 154.0987@5.1807375 1 1 1 1 1440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7536 1 1 1 1 1 2141 1338 3027 1702 5067 9272 2240 8128 1 1 1 8871 4655 18460 1 1 1 1 1 1 1 1146 1 1 1 1 1 1 1 1 2068 1 2443 1 3899 9293 1 1 3358 1 1 1 1 1 1 1055 1 1 1 5629 2849 5007 1 1 3082 1 1618 1 154.0987 *154.0987* 154.0987@5.294551 1 1 1 1 1112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 1 1 1 1 1 1 1634 1 1 1 1 1 1 1 1 1065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0987 *154.0997* 5,7-nonadienoic acid 1 1 1725 1200 1 1521 1478 1 1 1 1 1 1 1 1 1348 1440 1 1110 1130 1299 1 1364 1379 1 1 1215 1262 1 1 1 1 1489 1 1284 1561 1301 1107 1695 1284 1 1 1 1169 1 1 1155 1189 1 1 1 1 1 1 1 1 1 1 1 1 1163 1360 1 1 1190 1 1 1 1018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1036 1 154.0997 *154.1058* 154.1058@3.5091226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.1058 *154.109* 154.109@3.8680692 1 1 1 1 1 1461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1405 1 1 1553 1658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1469 1619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.109 *154.1466* 154.1466@4.324208 1 1 4250 4070 3216 3168 1267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4841 4773 1 1 1 1 1636 1614 1 1 1 1 4037 3642 1 1 1 1 1 1 1 1 3730 4032 1 1 1 1 1 1 1 1 1 1 1425 1540 1 1 1 1 1297 1200 1 1 1 1 2672 1988 1 1 1 1 1 1 3710 3471 1980 1935 1 1 1 1 1 1 1 1 154.1466 *155.036* 155.036@0.90835047 1 1 7441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15959 17865 1 1 1 1 1 1 1 1 1 1 155.036 *155.0424* C3 H9 N O6 2916 3223 1 8882 3560 4264 5874 7511 4064 4138 8419 1 1 1 2555 1 2653 2325 6089 1 5233 5455 1 1 6802 5114 8362 8445 3106 1 4716 1 1 1 5600 1 2217 2576 1 5249 1 5485 1 1708 1 1 5334 3744 1 1 1 1 2902 1 3808 1875 5302 6046 3573 1 5882 5744 3552 1 2062 1 2466 3349 1 1 6735 7562 6696 8753 5444 5387 4764 1 1 1 2129 1 8373 7753 5916 5409 4760 5184 1 1 155.0424 *155.0464* 155.0464@0.91085285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3482 1 5203 1 1 1 6382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5102 1 1 1 1 1 1 1 1 1 4072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2024 1 1 1 1 1 1 1 1 155.0464 *155.0646* 155.0646@0.88649213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.0646 *155.0685* Histidine + 0.8661965 15110 11412 11721 10291 13358 12153 2028 1537 12377 1365 1499 13501 18491 1445 15572 15864 20733 10149 9225 11535 10678 10917 12841 10837 17569 15392 11754 13653 11138 13468 13379 11771 14585 15767 11412 10239 1 1 13525 14585 17249 1 12833 12100 1288 12987 12341 1 14857 12917 1440 15672 15258 13016 8665 1259 10715 12091 13245 12754 4340 11870 1101 11497 12938 1727 1 12540 1619 14683 13739 11502 14146 18881 9857 13062 9966 10476 6614 7609 1277 11745 9569 9699 9141 1 16357 15825 2280 1 HMDB00177 C00135 155.0685 *155.0686* Histidine 1 1348 1 1280 1732 1 13337 13454 1 11110 14574 1780 1827 17997 1136 1355 2431 1 1462 1 1308 1 1205 1 1819 1 1328 1 1 1383 1689 1 1 1 1 1071 11946 12620 1272 1 1 12025 1545 1 13813 1519 1 1767 1966 1111 16393 1355 1484 1 1332 10698 1022 1 1216 1430 8399 1573 7530 1 1642 12448 11962 1203 12721 1504 1329 1366 1 1534 1309 1352 1 1 1048 1 9691 1094 1 1 1 7820 2098 1 13636 1 HMDB00177 C00135 155.0686 *155.0698* 2-Methylindoline 1 1 3625 3747 7821 7252 4740 4311 3143 2921 3396 3808 3325 4327 2529 1 2718 1 2256 2693 1 2175 1 1 3674 3889 2775 1 1 1 2366 2050 3100 2468 1516 2000 10633 10858 2399 2256 2963 3104 6626 6630 2573 2591 10249 10721 3548 3325 51665 51109 2992 2469 2998 1 2170 2409 6282 7473 2268 2409 1 1544 1 2327 3219 3685 2680 1 1978 1 6529 7377 6156 6811 1749 1891 1 1 2986 2772 9233 9359 18562 17247 3152 1945 10884 10831 155.0698 *155.0705* Histidine + 1.047004 1094 1 1885 1773 1608 1 1804 1776 1974 2209 2286 1970 1 3623 1503 2296 1 1039 3518 3395 1459 1529 2032 2364 1198 1 1488 1341 2180 2338 1415 1 1647 2616 1525 1314 5297 4322 2713 2743 2776 2008 1 1584 2420 1868 2399 3009 1 1 1449 1461 4163 4077 1530 1377 1848 1242 4301 2723 3112 3011 1979 1998 1 1 1 1088 1 1 1847 2160 2080 1017 1757 2311 1735 2427 3056 4061 3179 3542 1199 1544 1 1621 1 2198 2823 3100 HMDB00177 C00135 155.0705 *155.0745* 155.0745@1.166332 1 1 1 1 1 1 1225 1048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.0745 *155.0749* 155.0749@1.2454703 1849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.0749 *155.0762* 155.0762@1.208096 1 2276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2258 1 1 2154 1 1 1985 1 1 1 2398 1868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1464 1 1922 1 1 1 1656 1149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.0762 *155.0866* 155.0866@3.2308092 1 1 1 1 1 1 1 1 1 1 1 1 1311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.0866 *155.0913* 155.0913@1.0800391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5668 1 1 1 1 1 1 1 1 1 1 155.0913 *155.0932* 155.0932@3.3920894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1936 1219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.0932 *155.0943* 155.0943@1.226546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29240 33004 1 1 1 1 1 1 1 1 1 1 155.0943 *155.0944* ARECOLINE 1 1 4298 4405 1 1 1788 31656 1 1850 2375 45063 4247 5120 1 1 1 1 3621 3532 3625 3522 1 1 1669 1157 1 1 1 1 3100 2989 8474 1 1746 2399 3819 3257 1098 1 2535 2536 1 1 1056 1 3856 1 1 1 1 1 1 1 3130 2674 1 1 1646 1509 1 1 1 1 3546 3407 1 1 1 1 9421 9988 22952 1275 1 1 4842 5509 1570 1608 1 1 11335 1 1 1 1 1 1406 1 C10129 155.0944 *155.0944* 155.0944@4.275305 1 1 1 1 1 1 1499 2124 1 1 3755 3936 1 1 1321 1848 1 1 1038 1 1 1 1 1 1 1 1 1 1 1 1 1 1338 1331 1 1 1 1 1 1 1 1 1 1 1162 1 1 1 2285 1230 1 1 1 1 1 1 1 1 1 1312 2584 1224 1 1 1 1 1178 1646 2896 1647 1 1132 2803 2191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.0944 *155.0949* 155.0949@3.6929677 1 1 1 2102 1 1 32129 35753 1 1 34777 32096 2173 2745 1 1 1 1 1 1 2553 3129 1 1 1 1283 1 1 1 1 1 1484 12989 8715 1 1 1378 1 1 1 1 1 1 1 1 1 1 1 16989 17716 1249 1 1932 1579 1 1 1 1 1 1114 5843 12480 1 1 1 1 13413 12776 15860 14425 1 1 15973 15884 1 1 1845 1792 1 1 1 1 2563 2232 1 1 3082 4138 1269 1159 155.0949 *155.0952* 155.0952@4.3016114 1 1 1 1 1 1 1 1561 1 1 1 3546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.0952 *155.0955* 155.0955@3.786727 1 1 1 1 1 1 1837 2415 1 1 2763 1588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1480 1067 1 1 1 1067 1 1 1 1 1 1 1 1 1 1 1 1 1 1614 1 1 155.0955 *155.1305* 155.1305@5.1274385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2915 2547 1 1 1002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8994 8732 1 1 1151 1 1 1 1 1 1 1 1 1 1 1 6204 5944 9231 10069 1 1 1 1 3244 3512 1 1 1 1 1 1 1 1 1 1 15657 15456 1 1 1 1 155.1305 *155.1308* 155.1308@13.624936 1227 1 1178 1 1538 1 1 1 1 1 1092 1 1066 1 1 1 1 1 1 1 1186 1 1 1 1 1 1 1 1075 1 1 1 1170 1 1 1 1 1 1 1 1 1 1220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.1308 *156.0065* Furan 2,5-dicarboxylic acid 2879 2751 4213 4247 3172 2703 2960 2788 3184 3453 3297 3221 5142 4223 4263 4354 3207 2888 4134 4066 4345 4723 2451 2104 3982 4469 4926 5509 2253 2076 3428 2746 3861 3612 3549 3798 2971 2898 4633 4695 3079 3600 4550 4730 2870 2808 3232 3347 2190 1 4210 4301 3609 3573 2325 2073 4071 3952 2664 2363 3241 3964 3278 2837 2669 2404 2076 2926 2414 1 3032 3011 3618 3503 4760 5013 4039 3579 3301 3369 2227 2029 5407 4407 3866 2826 4177 5149 2753 2535 HMDB00578 156.0065 *156.0116* 156.0116@1.2345185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0116 *156.034* 156.034@1.2580354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.034 *156.0394* 156.0394@2.2741084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7622 1 1 1 1 1 1 1 1 1 1 156.0394 *156.0397* 156.0397@2.3511229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5370 9035 1 1 1 1 1 1 1 1 1 1 156.0397 *156.0406* Dihydropteridine 3807 3608 2374 2080 2291 3245 3545 3463 3816 3720 2592 2252 3508 3929 2282 2141 2337 2669 4135 3982 2717 2883 3799 4536 1966 2066 1936 1818 3399 3484 2892 2907 2881 2852 2752 2742 5133 4443 2741 3153 4294 4435 3554 4072 4279 4551 3204 4527 4347 3679 3284 4047 5110 3331 3182 3346 3153 3265 4915 3961 2883 2776 3506 2949 3176 3494 1551 1 2463 2435 3901 3254 2409 2450 2891 2738 3738 4008 2597 3222 3257 4228 2771 2684 2692 3587 1634 1 3879 3305 HMDB01441 C05649 156.0406 *156.0428* 156.0428@4.6314335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1376 1371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3701 3630 1 1 1 1 156.0428 *156.0558* 156.0558@1.24569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1324 1 1232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0558 *156.0567* 156.0567@0.93803203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1500 1189 1 1 1 1 1 1 1 1 1 1 156.0567 *156.0627* 156.0627@1.2434051 1 1 1 1 1 1 1034 1 1 1 1419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1814 1788 1 1 1 1 1 1 1 1 1 2857 1 1 1 1 156.0627 *156.0725* 156.0725@0.871986 1 1 1 1 1 1 1 1 1 1 1 1 1108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0725 *156.0761* C8 H12 O3 3306 4851 5164 4493 3134 4313 2441 3696 3080 2491 2661 4178 3635 3149 3485 3032 1963 1957 4323 4501 2968 4270 4057 4249 5114 5249 5429 3744 3776 4972 2433 2321 3346 2868 4461 4667 6824 7701 3596 3380 1695 2329 3903 4025 4282 4253 1404 2062 2252 2624 6938 5581 2640 1050 1991 1757 1723 1815 9099 8946 4246 5377 1 1539 2321 2463 7793 7915 4549 4602 2214 1996 2990 2887 2544 3041 2131 1931 3205 2729 4309 3257 2395 1973 3369 3549 2039 1434 1 7226 156.0761 *156.0761* 156.0761@3.6430428 1 1 11247 1 8764 1 1 1 7028 1 4208 1 6499 6811 1 1 1 6619 10657 1 6370 7640 1 9011 11844 12321 9900 1 9174 1 1 1 1 1 1 11369 1 1 1 1 1 1 1 5917 10123 1230 1 1 1 1 1 16715 1 2059 1 1 1337 1 1 1 1 7240 1 1 1 1 1 1 8895 8822 3651 1 1 1 1 7059 1 1 1 6329 1 7662 1 5597 1 7613 1 1 1 1 156.0761 *156.0764* C4 H8 N6 O 8461 10404 1 10789 1 9715 5262 6115 1488 7053 1 35789 1357 1 8367 8156 6171 1 1 9572 3422 1 9630 1 1 1071 1 9927 1 10027 5799 5546 9279 7397 11788 1478 16417 15901 1 7932 4683 4945 6763 1 1 7930 4134 4697 5852 5485 16110 1 4502 5438 3312 4084 1468 4401 1 1 9031 2993 1 2411 5902 4701 1808 1885 3155 2298 1 3868 5205 7316 6181 1114 5257 5400 6076 1 1 1 6041 1 7433 1 3594 3717 1 1 156.0764 *156.0771* 156.0771@1.2429867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0771 *156.0794* 156.0794@3.0360427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0794 *156.0837* 156.0837@3.0662212 1 1 1 1 1 1645 1 1 1 1 1 1 1 1 1 1 1 1369 1 1 2225 2305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1921 1624 2608 2302 1 1 1 1 1 1765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0837 *156.0856* 156.0856@3.7009802 1 1 1 1 1 1 2526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0856 *156.0874* 156.0874@3.2886498 1 1 1 1 3225 2142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2562 1 1 1 1 1 1 1 1 1398 1436 1845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3458 3502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1397 1128 1 1 1 1 156.0874 *156.0878* 156.0878@3.0281436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0878 *156.1624* C9 H20 N2 2132 2317 1901 1 1790 1906 2084 1904 2082 1889 2121 2005 2206 1994 1844 1990 1895 1969 2025 1975 2369 1 1 2399 2027 1787 1732 1885 2076 2082 1916 2026 2111 2507 1919 1925 2025 1938 1902 1809 1934 2073 2064 1440 1698 1802 1 1757 2025 1608 1855 2158 1748 1610 1612 1985 1560 1952 1873 1923 2267 1717 1845 1901 1811 1921 1782 1863 1907 1 1787 1789 1822 2015 1964 2070 1874 2073 2200 1961 1670 1717 1626 2089 1829 1427 1451 1892 1824 1492 156.1624 *156.1812* 156.1812@3.6540778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1008 1227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.1812 *157.0199* 157.0199@3.822849 1 1 4794 4245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.0199 *157.0364* 157.0364@0.9040295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1240 1 1 1 1 1 1 1 1 1 1 1 157.0364 *157.0382* 157.0382@1.2315463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18304 18133 1 1 1 1 1 1 1 1 1 1 157.0382 *157.0753* 157.0753@3.5537329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1958 1869 1 1 1 1 1 1 1 1 1 1 157.0753 *157.0764* 157.0764@3.3951414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1234 1019 1 1 1 1 1 1 3632 3688 1 1 1 1 1 1 1 1 1 1 157.0764 *157.0802* 157.0802@3.7380142 1 1 1 1 1 1 1 1 1 1 1148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.0802 *157.0847* 157.0847@0.8771845 1548 1460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1277 1 1 1 1204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.0847 *157.0865* 157.0865@1.1460419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1643 2173 1 1 1 1 1 1 1 1 1 1 157.0865 *157.0868* 157.0868@1.7300735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2972 1 1 1 1 1 1 1 1 1 1 157.0868 *157.105* 157.105@1.1106654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3011 2664 1 1 1 1 1 1 1 1 1 1 157.105 *157.1087* 157.1087@1.3943543 1 1 2477 2028 1 1 1 1213 1536 1 1 1 1 1 1 1 1 1 5365 1 1 1 1 1 1 1 1 1202 1 1 1 2606 1 1 1 1 1 1 1 1 1 1 2486 1831 1 1 2748 1544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2407 1946 2386 1 1 1 1 1 1069 1956 1 2802 1 1 5816 5231 1 1 1 1 3371 1759 1 1 1 1 157.1087 *157.1087* 157.1087@4.737643 1 1 1 1 1 1 2432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.1087 *157.1094* 157.1094@4.6098256 1 1 1 1 1 1 2261 1 1 1 1 1 1 1 1 1923 1 2236 1 1 1 1 1 1 1 1 1 1 1 1 1894 1795 1 1123 1456 1 3356 3514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2233 1685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.1094 *157.1098* 157.1098@4.0740576 1 1 1102 1 1 1 1 1 1323 1 2029 1321 1 1 1 1 1 1 10889 1 1 1 1 1 1 1533 1 2803 1 1 1 1 1 1 1 1780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2238 2679 1 1 1073 1 1 1 1 1 1 1 1 1 1 1 1 1845 1 1 1 1 1 1 1 1 1122 1 2353 1 1 1 1 1 1 1 1 1 157.1098 *157.1098* 157.1098@1.3530073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.1098 *157.1099* Tranexamic acid 13134 12871 27694 27733 15568 15745 25309 25153 19896 20327 17702 18905 9216 8894 4031 1 14538 14545 52023 49970 15515 15142 7571 7497 7914 8052 19970 18363 4029 4193 39774 39262 10887 11904 10358 9190 4949 4442 13131 13352 12486 11827 22801 22081 14123 13419 25764 27673 10810 11195 12506 12493 10926 11391 7493 7783 15523 15648 7806 7725 10167 10436 14586 13857 20542 20967 24619 23687 23678 23289 16148 15666 20232 20761 26723 28389 12992 12568 79936 80677 10172 10225 7571 7559 36370 38322 15269 15977 21804 21107 C12535 157.1099 *157.1101* Tranexamic acid + 3.9845319 1 1 1 1 1 1 42866 42298 13788 15439 32048 35228 16958 18605 4388 4254 1726 1 1009 13015 64264 67732 5029 5420 114605 114601 3053 1 1 1 2102 1409 4411 4736 14889 14726 11894 10387 3182 3855 8581 9228 6177 7288 2350 2191 3926 3713 1 1 99582 99584 7584 6711 9074 8568 2185 2583 3811 5051 13413 13071 2304 2816 8326 7495 8217 8500 19374 17622 5895 7674 1 1 1 1 1329 1 16659 17417 1 2759 6872 6469 5160 4483 4635 5587 1 1 C12535 157.1101 *157.139* 157.139@6.074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.139 *157.1406* 157.1406@8.251946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.1406 *157.1435* 157.1435@6.027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.1435 *157.1437* 157.1437@2.059067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1 2057 1 1 1 1 1 1 1 1 1 1 157.1437 *157.1442* 157.1442@8.336442 1 1 1467 1316 1255 1 1119 1097 1 1 1388 1005 1323 1 1420 1 1009 1 1 1 1298 1397 1 1 1 1 1019 1 1553 1 1 1883 1 1 1 1 1036 5459 1 1 1 1224 3150 1 1178 1298 1140 1 3416 1066 1 1 1 1 1 1 1 1229 1 1 1 1 1 1412 1242 1116 1025 1 1007 1 1618 1 1053 1 1118 1 1 1099 1 1188 1 1143 1 1 1 1 1412 1077 1 1 157.1442 *157.1445* 157.1445@8.651771 1 1 1 1959 1 1 1 1342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.1445 *157.1451* 157.1451@1.963063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1 1329 1 1 1 1 1 1 1 1 1 1 157.1451 *157.1458* 157.1458@8.5677 1 1 1 2576 1 1 1 1 1 1 1 1 1 1 1 1 2923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.1458 *157.1464* C9 H19 N O 30529 30935 30595 30313 31222 29837 31642 31352 32801 29021 32577 30130 31579 32213 33903 29479 30154 29842 30823 31159 31772 32266 34246 35491 33652 32397 31041 29577 31397 31927 29275 28912 32389 32022 34598 32510 32672 29033 29874 32270 30071 32589 31262 32897 31219 26957 26924 28970 24860 29120 30099 29436 28283 26796 28576 29689 28215 28938 29258 28304 27890 26000 28686 26159 27966 25773 26307 28131 28488 27914 26434 26486 29175 27119 28508 29317 28247 26076 28207 28482 26504 28658 27390 28388 26963 27962 29246 30448 28166 26156 157.1464 *157.9562* 157.9562@0.8850374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.9562 *157.9572* C6 H3 Cl O S 42042 41758 41735 41098 42500 41442 44135 42864 42880 41928 43836 43762 43115 43537 44944 45532 46017 45257 44344 43941 43932 41745 42484 42210 42968 43134 41943 1 41756 41877 36067 40931 42482 41665 40169 38970 40938 41524 42316 40432 43624 38775 40627 41913 41992 40804 43242 44421 41462 41678 43560 41347 42090 42148 43215 42296 43084 39865 40202 41842 42213 43070 41091 41765 21675 40025 41834 37787 39783 42183 41016 41960 41569 42061 40151 38777 40574 39475 41845 40786 41773 41903 43031 39487 40060 1 41309 40196 41424 42087 157.9572 *157.9895* C4 H8 Cl2 O2 7140 8158 1 8125 9708 8503 1 8442 9652 9800 9374 1 5762 6596 1 7788 1 5392 1 9056 8274 7402 9539 9799 1 7966 7711 8026 6798 7470 15401 14683 13458 12325 11252 12417 11772 12289 10859 11442 10349 9429 7833 11405 10904 11371 8226 1 8402 6355 9114 8743 6823 7949 6295 7684 8622 8944 9249 9039 7888 8068 9182 8176 12090 13332 7749 9432 13618 12108 9892 9511 10494 10305 9813 11681 10983 11400 1 9987 1 7583 1512 7771 16639 16412 12017 10816 6229 6092 157.9895 *157.99* 157.99@3.0274658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1784 1 1 1 1 2351 1 1 1 1 1 3026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.99 *157.9909* 157.9909@0.6029859 1 1 1 1 1 1 1 1 1 1 1 1 1 2450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.9909 *157.9918* 157.9918@2.9852493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2138 1 1 1 1 1 1 1 1 1 1 1 1 1 2615 1 1 1 1 1 1 2268 1 1 1 1 3451 1 1 1 1 1 1 1 1826 1 1 1 1 2854 1985 1 1 1 1 1 1 2197 1 1 1 1 1 1 1 1 1 1005 1674 1 1 1 2285 1 1 1 1 1 1 157.9918 *158.0142* 158.0142@1.374491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1614 1 1 1 1 1 1 1 1 1 1 1 1 1302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0142 *158.0186* 158.0186@0.9112445 1 1 1 1 1 1 11252 3829 1 5345 1 5918 7212 7242 1 1 11100 1 1 1 1 1 1 1 1 1 7446 1 1 1 1 1 1 5114 1 1 1 1 8350 1 1 1 1 11339 12348 4214 1 1 3268 3700 1 1 1 1 1 1 8632 1 1 1 1 1 1 1 1 1 4567 4966 9347 8913 1 1 1 1 1 1 7592 7689 1 1 1 8225 1 1 1 1 13733 14117 1 1 158.0186 *158.019* C10 H6 S 23431 24570 37512 35247 28233 9543 1 1 15236 1 15413 1 1 1 20255 19950 1 9499 17206 15792 30051 30723 23291 23587 22901 22186 1 20423 10399 25534 21421 21410 14539 1 22584 8817 29672 29923 1 26207 18890 21481 1 1 1 1 14786 14507 1 1 22900 22804 21943 7983 18718 17968 12549 6186 25022 8570 12380 11350 26881 25962 15557 15051 1 1 1 1 30567 31698 18717 6548 39787 37573 1 1 10737 34026 24440 1 20524 20017 30800 27554 1 1 7163 20131 158.019 *158.0196* 158.0196@1.127016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0196 *158.0197* 158.0197@1.3301635 3423 1 1 1 1 1 1 1 1 14974 1 15892 1 1 1 1 1 1 1 1531 1 1 1 1 1 1 1 1 1 1 4860 1 1 13609 1203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1608 5059 1 1 1 2606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1394 1 1 1 1 1 1539 1 1 1 2780 1 1 158.0197 *158.02* 158.02@1.3769057 1 1 1 3250 1 1 1 7472 1 1 1 1141 1 1 1 1 17657 1 1 1 1 1 1 5013 1 1 1 4694 1 1 3899 1 11033 1 1 1 1 1 1 1 1 1 10031 1 1871 18755 1 1 1 1 2229 1 1 1 1 6133 1296 3136 1 1 3182 1 1 1 1 1 1 1 1 1714 1 1 1 1648 1 1 1 1 1 1 1 1 1 4672 1 1 1 1 1 1 158.02 *158.02* 158.02@1.540432 1 1 1 21888 27228 1 31796 33774 1 21593 1 32936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10440 1 1 1 1 3296 1 1 1 1 39851 1 1 1 1 19804 20391 1 1 1 1 1 1 1 1 1 1 1 1 5291 22709 38469 1 1 1 1 1 1 25749 1 1 25266 1 1 1 1 1 20248 16142 1 24784 1 1 1 1 1 1 1 1 22416 24472 1 1 158.02 *158.0201* 2-methylene-4-oxo-pentanedioic acid 30842 25420 10905 11665 17141 21686 16369 2474 13097 1510 18445 1131 17098 17367 17838 17283 1793 19229 14441 5563 13127 14106 28035 25099 17949 19074 5600 6014 18758 17998 12343 15857 1989 2199 17728 19866 20197 18510 8898 10601 19864 21396 2098 10601 16506 1880 18619 17856 22326 23381 18970 14198 22489 22231 30238 31753 16263 13751 25824 24473 12251 12188 21408 16690 15439 14397 21731 21103 13027 14392 16259 16372 19352 19639 11945 8279 12685 15131 10590 10863 20567 20082 15843 13747 16062 14820 10861 3832 18509 22579 158.0201 *158.0233* 158.0233@1.127482 1 1 1 1 1 1 2562 1 1539 1 1 1 1 1 1 1 1 1 1 1932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0233 *158.0554* C3 H6 N6 O2 4710 8408 3731 4139 4090 4277 4156 4356 4273 5026 6974 7487 5286 4871 4817 5243 4851 5352 2895 6120 7937 5234 10220 9725 5063 3361 17824 14833 3946 3685 5796 5081 4360 4438 6826 5173 6597 6722 9104 5947 5847 5462 5872 6511 9550 8299 9502 4990 6249 6664 5372 3714 6202 6542 4386 3837 3558 5639 7494 8141 4553 4803 5840 4645 5891 9135 4429 6019 3293 7380 23980 24053 3365 2924 4210 4097 6177 6853 4314 5942 6405 5209 9059 8457 5524 5887 3471 2321 5517 5955 158.0554 *158.0554* C3 H6 N6 O2 + 1.0190428 3307 1 1 2809 2500 2857 3299 3729 1 3950 1 1 1 1 3444 1 2899 2775 5952 1 1 1 1 1 1 1 1 2378 4130 1 3578 3820 2173 2540 1864 3074 3388 3169 1 3249 3419 4014 3449 2875 3066 4458 1 4202 1 3912 1 5585 3471 3363 1 1 1 3253 1 5358 1 3053 3331 3773 3011 1 1 1 4281 1 3687 4021 1 1 2963 1 3806 3068 5134 4418 2405 2837 1 2216 3341 3540 1 1 3365 3925 158.0554 *158.0602* 158.0602@3.0363388 1 1 1 1 1 1 1763 1422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1048 1 1 158.0602 *158.0618* 158.0618@3.497223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2050 2290 1 1 1 1 1 1 1 1 1 1 1 1 158.0618 *158.063* 158.063@0.897499 1 1987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1877 1 1 1738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.063 *158.0655* 158.0655@0.88891315 1 1 1 2345 1014 1 3096 2678 1 1496 2778 1 1 1812 1425 1213 4551 4479 1 2590 1 1383 1 1 1 1227 1 1 1229 1 3002 2811 2782 3119 1405 1 1 1 1 1 1 1 3092 1 1470 1 1 1 1 1730 1 1 1 1 1248 1 1558 1 1 1 2099 1936 1 1 2145 1 1 1 3183 1 1 1 1290 1567 1 1 1 1 1 1 1 1 1295 1 1 1 3758 1 1692 1 158.0655 *158.0663* 158.0663@3.0952094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2289 1 1 1 1 1 1 1 1 1 1 1 158.0663 *158.0683* 158.0683@3.0287344 1 1515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4364 4326 1 1 1 1 1 1 1 1 1 1 158.0683 *158.0832* 158.0832@3.692888 1 1 1 1 1 1 1 1 1 1 1870 1800 1 1 1 1 3997 1 1 1 1 1 1 1 1 2702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3222 1 1 1 1 22598 1 1 1 1 1042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0832 *158.0942* 158.0942@4.8758883 1 1 1959 2140 1 1 1 1 1 1 1 1 1 1 1 1 5518 5077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1788 2756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0942 *158.1425* 158.1425@0.8117392 1 1 1 1 1 1 1 1 1 1 1016 1 1 1 1 1 1472 1430 1385 1432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2038 1611 1979 1 1215 1 1 1 1 1 2012 1795 1 1 1 1 1 1088 1 1 1 1 1 1 1 1 2634 2101 1034 1 1 1 1 1 1 1345 1 1 1 1 1659 2196 1 1 1 1 1 1121 1 1 1 1 1 1 158.1425 *159.0237* 159.0237@1.5640361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.0237 *159.0298* p-Aminobenzoic acid 1083 1552 1 1989 1567 1844 2466 2586 1 1070 3209 3430 2319 2219 1 1 2135 1714 1304 1211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2197 2149 1 1 1826 2088 1980 2209 1 1 1 1 2508 2244 1 1 1 1 5655 5364 1 1 1962 1691 1174 1307 1535 1612 1 1 2437 2448 1933 1575 7439 7036 2592 2632 1998 2021 2876 2195 2039 2167 1 1643 1 1 1 1 3135 3177 1 2468 1407 1464 HMDB01392 C00568 159.0298 *159.0376* C3 H5 N5 O3 2134 2206 2228 2406 2224 2263 1 1 2007 1913 1805 1713 1894 2291 2025 2225 2006 2297 2184 2085 2080 2372 2260 2449 2086 2124 2232 2397 2231 2028 2490 2323 2362 2364 2521 2334 2764 2587 2417 2262 2597 2450 2531 2608 2455 2423 2745 2335 2386 2808 2460 2874 2902 2796 3122 2920 3030 2797 2589 2720 2569 2603 2338 2252 2581 2186 2348 2193 2333 2395 2317 1 2495 2382 2478 2486 2142 2551 2159 2313 2350 2611 2998 1 2613 2654 2169 2150 2169 2809 159.0376 *159.0718* 159.0718@3.8120527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1447 1466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1050 1 1 1 1 1 1 1 159.0718 *159.0886* 159.0886@0.9987548 1881 1752 1 1 1 1 1 1 1 1 1 1064 1 1 1 1 1430 1826 1 1204 1 1 1 1 1 1752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1725 1532 1 1 1 1 1235 1 1 1 1 1919 1 1 1 1 1 1 3150 3551 1 1 1 1 1 1 1 1 1 1 1 1 1186 1665 1 1 1749 2105 1462 1372 1 1 1 1 1 1 1 1993 159.0886 *159.0892* 159.0892@4.6793485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6249 5847 1 1 1 1 1 1 1 1 1 1 159.0892 *159.0893* 2-Methylbutyrylglycine + 0.9057921 3118 3411 2745 3064 4325 4783 7637 7337 1339 1382 12915 12934 12426 12404 26039 34770 25420 33813 27629 27325 2893 2407 4970 4822 34550 37529 5839 5854 1668 1681 6734 5682 83505 81585 43561 43357 44999 43532 45461 45134 31155 31581 10652 10473 1 1 9392 9491 25961 26912 29000 27014 36615 55621 2577 2579 1 1192 2435 2516 4516 4592 1445 1622 1858 1998 72131 50631 2491 3636 5850 6139 1 1 5252 5236 3566 3905 4273 3872 24846 26205 49716 50962 2997 3075 57679 55060 37886 38697 HMDB00339 159.0893 *159.0895* 2-Methylbutyrylglycine 6956 6678 10709 11380 1 6467 6737 6722 3294 1 11155 1696 7092 6876 8918 1160 11578 2298 18494 18345 1910 2123 1 1425 20405 18944 8648 14395 1 4395 5107 4655 4646 5190 14135 13354 12145 12879 1001 5172 31169 32838 3362 2846 6998 7034 12148 1128 2994 7416 5980 3111 26021 26094 13657 13014 57803 60181 6305 6587 6051 6100 5492 5755 15175 14208 18283 17636 8474 7981 5971 2927 31909 32831 1298 9111 5943 1 3032 2882 14641 14049 8806 4529 70650 67637 20946 20572 3402 5626 HMDB00339 159.0895 *159.0895* 159.0895@3.368741 1 1 1 1 1 1 1025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1448 1424 1 1 1 1 1 1 1 1 1 1 159.0895 *159.0898* 159.0898@4.5173316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2898 4262 1 1 1 1 1 1 1 1 1 1 159.0898 *159.0899* 2-Methylbutyrylglycine + 3.9581158 1455 1 1237 1103 5177 5392 1751 1656 1213 1129 1065 1168 2465 1474 1 1 2979 3481 2527 2327 1541 1371 2356 1387 1 1 1072 1132 1729 2289 1594 2366 1659 1795 1212 1527 4106 4071 1915 1942 1736 2826 1288 1748 1239 1392 2072 2193 2423 1739 2653 1385 1514 1455 1959 1545 1059 1 1439 2341 1875 2200 2265 2671 1879 1245 1152 3098 1235 1646 2106 2722 1834 1878 1 1139 1 1609 5445 5003 1780 1332 1879 1438 2763 1668 1543 1004 2021 13590 HMDB00339 159.0899 *159.0902* 159.0902@3.0526984 1 1 1 1 6039 1 1047 1409 1 2907 1738 9679 1 1 1346 9119 1891 11865 1 1 6913 7232 2145 1 1 1 1 1 5022 1 1958 1945 1 1 1 1 1 1 5187 1 1 1 1 1 1818 1767 1459 11614 7235 2870 1 1 1 1 1 1 2030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9309 1454 1 5451 10268 9260 1294 1 1 1 1 1 1 1 1 1 159.0902 *159.0991* 159.0991@3.3431754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.0991 *159.0995* 159.0995@2.177466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3607 1 4624 1 1 1 1 1 1 1 1 1 1417 1 1 1 1894 1 1 3827 1 1 1 1 1 1 1 1 1 1 159.0995 *159.0999* 159.0999@2.2685692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1647 1 1 1 1 1 1 1 4119 8112 1 3069 1 1 1 1 1 1 1 1 1 1 1 1 2027 2564 1 2766 1 2176 1 1 1 1 1 1 1 1 159.0999 *159.1002* 159.1002@2.2364614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2708 4311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7975 1244 1 1 1 1483 1 1 1 1 1 1 159.1002 *159.1213* 159.1213@1.5090244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.1213 *159.1235* 159.1235@1.7890193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.1235 *159.1247* 159.1247@1.3490293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4249 1 1826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.1247 *159.1252* 159.1252@1.7600241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2156 2999 1 1 1 1 1 2459 1 1 3427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.1252 *159.1256* 159.1256@1.3492808 1 1 1 1 1 1603 1 1 1 1 1 2981 1 1 1 1721 1 1 1 2162 1 1 1 1 1 1 1 1 1 1 1082 1 1 1 1 1 1 1 1 1 1 1 1 1663 1 1 1 1 1 1 1 1 1042 2364 1 1 1458 3165 1 1 1 1 1 1 1 1166 1 5423 1 1 1976 1 1 1 1 1 3285 1 1195 1 1 1 1 1 1 1 1 1 1 1 159.1256 *159.1257* 159.1257@4.247829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.1257 *159.1258* 8-Amino Caprylic acid 45114 44322 65516 68452 116275 117159 76885 77171 69798 65744 48643 50100 43920 46118 30173 29889 83634 80872 71123 69927 61790 61369 36500 36679 40885 41787 123376 123929 23035 24880 115750 119926 65339 65661 76260 72866 53818 54236 64172 63801 39723 40500 50948 50080 96408 97869 93483 95283 25340 26037 85136 86038 54562 54140 31291 33584 58369 57432 20855 21173 53645 53767 99376 95148 65033 62548 96120 90091 79090 77080 43005 40911 80749 82698 83942 81596 32667 33985 59034 60492 36540 35791 33575 31830 74442 72460 112197 110475 65845 66461 159.1258 *160.0103* 160.0103@2.6902757 1 1 1 1688 1 1 1 1050 2128 1383 1 1 1 1 1 1997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1697 1 1 1440 1180 2278 1 1 3126 2527 2584 2412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.0103 *160.0178* 160.0178@1.900363 1 1 1 1 1 1 1 1 1 1 3278 1914 1 1 1 1 1 1 1 1 1 2067 1 1 1 1 5127 4489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5756 6771 1 1 1 1 1 1 1 1 1 1 1 1 1 1059 1 1 1 1 4424 6492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2787 2961 1 1 1 1 1 1 160.0178 *160.0256* Urocanic acid 2158 1799 2606 2246 2186 2319 2336 2733 2521 3076 2192 2182 2825 3728 2441 3078 2762 2503 2918 1 2123 2058 2457 2344 2087 2104 2412 2324 2608 1 2642 2270 2350 2127 2098 2248 2424 2511 2527 2185 1983 2102 1806 2088 1912 2733 1764 2000 1874 2129 1722 1867 2276 2252 3084 2093 2110 1599 2323 2027 2127 2176 1831 1 2119 1992 2273 2342 2310 2506 2347 2160 1900 2297 2170 2103 3090 2146 1890 1861 2420 2361 2307 2271 2373 1963 2341 2066 1846 1840 HMDB00301 C00785 160.0256 *160.0658* 160.0658@0.9350319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1493 2077 1 1 1 1 1 1 1 1 1 1 160.0658 *160.0736* 160.0736@3.0291297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6155 7028 160.0736 *160.0846* Alanine Dimer 2100 1496 1252 1578 1 1504 2749 2400 1606 1951 1606 1746 1867 2766 1873 1734 2229 2122 1482 2243 1366 1946 1117 1 1734 1740 1550 1883 1384 1834 2334 3315 1709 1 1411 2059 2565 2901 2315 2283 2605 2999 2470 2434 3170 2879 2205 2207 2513 2748 1605 1068 2175 2279 2185 1687 2327 2417 2388 2620 3676 3306 1560 1276 3402 3193 1721 1760 1818 1505 1598 1676 1995 1943 1503 2162 2207 2307 1731 1756 2439 2151 2173 1356 1619 1214 1177 1065 2618 2121 160.0846 *160.0847* 160.0847@3.5732663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1630 1 1 1 1 1 1 1 1 1 1 1 160.0847 *160.0881* RETUSOQUINONE + 11.520966 1 1361 1305 1659 1802 1 1 1128 2309 1912 1504 1976 1437 1484 1547 1876 1401 1659 1346 1844 1596 1644 1 1 1736 1507 1 1466 1 1901 1330 1056 1 1743 1277 1 1280 7121 1 1154 1 1792 1 1505 1 1 1526 1185 1 1 1 1 1 1 1 1186 1 1005 1 1632 1251 1 1 1 1 1 1 1 1 1 1 1 1 1 1379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.0881 *160.0882* 160.0882@6.3060646 1 1 2258 3037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2118 1938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.0882 *160.0886* RETUSOQUINONE 1 1997 2103 1942 1 2242 2005 1923 2096 1744 2404 2094 1953 2086 2161 2456 2103 2241 2184 2475 2381 1883 1977 2009 2098 2559 1970 2233 2276 2040 2335 2162 1854 1880 2104 2171 2186 2347 1716 2013 1941 2195 2100 1655 2098 1895 2015 1924 1846 1942 2042 2214 2424 1988 2087 1764 2420 1688 2022 1965 2287 1855 2319 2177 1858 1 1774 1 1916 1968 1 1741 1547 1941 1908 1804 1599 1903 1836 1735 2076 2445 1992 1768 1657 1822 1736 2205 1938 1895 160.0886 *160.0889* RETUSOQUINONE + 11.308531 6815 8304 6835 7417 6241 7211 7117 1360 6939 7236 7320 6820 5479 7125 7153 7623 7111 6783 7387 6770 7379 7358 7629 6701 7180 6956 7474 6454 6178 6796 6672 6452 6257 7299 6501 7359 6454 1354 7154 6744 6648 7253 6724 6344 6742 6636 6969 5875 6481 7024 7205 6896 6907 7402 7132 7429 6600 6659 6669 7267 6642 7138 7328 7076 6740 6939 6365 6662 6366 6653 6945 6562 6873 6389 7264 6344 6346 6248 6207 6547 6791 6103 6552 5948 6054 5913 6664 6831 6722 7198 160.0889 *160.0889* 160.0889@11.321089 1 1 1 1 1 1 1 5571 1 1 1 1 1942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.0889 *160.0973* 160.0973@3.0034568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1241 1384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.0973 *160.1073* 160.1073@0.9067608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1665 2048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4211 1 160.1073 *160.1145* 160.1145@0.88667744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4148 1 1 1 1 1 1 1 1 1 1 1 2506 4476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.1145 *160.1194* 160.1194@0.8608532 1 1 1 1 1 1 1337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2067 2437 2612 1 1 1 1 11422 8768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.1194 *160.1209* Ne-Methyl-L-lysine 8942 8936 2785 3049 11301 11462 12139 13110 3206 3390 11955 11165 2125 1432 7742 7573 9910 9829 2201 3508 15195 14671 7907 7709 1 2626 2090 2046 10589 10104 10689 11999 2023 2146 1 2830 7797 9352 12606 12062 1 4444 3217 2955 11566 11000 12057 12571 16633 16217 4280 2381 1 1 1899 2209 3354 3297 3085 3072 14336 14255 2697 2709 2489 2647 1 1176 1839 1411 2967 3168 3113 3389 12471 12082 2510 2546 1823 1 11218 12337 1525 1 1948 1848 1 1714 1 1 C02728 160.1209 *160.1262* 160.1262@0.8475151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1925 1 1 1 1 1 1 1 1 1 1 160.1262 *161.0434* C4 H7 N3 O4 1681 2305 2226 2497 2693 2311 2045 2020 2431 2269 2740 2777 2273 1957 2644 1935 2444 3772 1 1 2507 2409 2424 2767 4065 1 1 2072 1887 1 2044 2261 1 1425 2687 3193 2113 2258 1233 1461 1729 2386 2775 2776 2097 2467 4235 2888 2299 3103 2782 3192 3010 3396 1 2795 1722 1 1 1 2568 2536 2623 1 2719 3070 1 1 3362 2524 1 1642 6361 5666 2206 2799 1 3596 1 1715 1244 1429 2817 2222 1 1991 5878 4476 1688 1807 161.0434 *161.0472* 161.0472@1.1859838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.0472 *161.0514* 161.0514@3.3560097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19208 18579 1 1 1 161.0514 *161.0541* 161.0541@2.984141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1442 1511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.0541 *161.0707* C6 H12 Cl N3 1 1 1 1457 18994 1548 1 1 1 1 1 1 4206 1116 4343 1009 1 3683 3921 1 1403 2719 6240 4651 1 1 4030 5187 1739 1 4939 5559 1 1 5007 4927 8782 1 5089 1225 2131 1 1 1 1605 5312 1765 1 1 1 1927 4294 1 1 1 1 1 1086 5257 6108 2692 1 1 1 1 1 1 1 1 1 4568 1 1 1 1 1 1 1 1 1 1 1 4609 1 2802 5234 1 1 2389 7795 161.0707 *161.0708* 161.0708@1.2264936 1 1 1 1 1 9497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.0708 *161.072* 161.072@5.989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.072 *161.0722* 161.0722@1.713848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2320 2161 1 1 1 2277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2272 1 1 1 1 1 1 1 1 1 1 1 1 1 1356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1352 161.0722 *161.0744* 161.0744@5.921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.0744 *161.0757* 161.0757@1.3011045 1 1811 1 1 1246 1 1746 2330 1 1 1059 1 1 1 1155 3735 1 1 1 4833 2450 1 1 1 1 1 1152 1 1 1713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2421 1 1 1 2034 2526 1 1 1 1 1 1 1 1 1 1 1 1 1 2713 1 1 1 1513 1 1 1 1 1 1 1 1 2128 1 1 2105 1 1 1 1 1 1 161.0757 *161.0777* 161.0777@1.3192016 1 1 2072 1 1 1 1 1 1 1 1 1 1 1 1 1 1961 1 1 2709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1236 1 1 1 1 1247 1 1 1 1 1 1 1 1 1 1 1 1 161.0777 *161.0825* 161.0825@1.2199649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.0825 *161.084* 161.084@5.7773323 1 1 1 1 1 1 1 1 1 1 1230 1419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.084 *161.0842* 161.0842@4.958697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4414 77334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.0842 *161.0842* 161.0842@5.1592116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79286 1499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.0842 *161.0847* 161.0847@4.4806557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 754659 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.0847 *161.0847* 161.0847@4.7151613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.0847 *161.0848* 161.0848@4.4796567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1006 770432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.0848 *161.0928* 161.0928@1.2260096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1238 1 1 1 1 1 1 1 1 1 1 1 1 1 1489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.0928 *161.0966* 161.0966@2.9831395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.0966 *161.1* 161.1@2.9938202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1604 1 1 1 1 1 1 1 1 1 1 1 1800 1 1 1669 1 1 1 1 1 1 1 1 1 1 1 1 1152 1 1 1 1 1 1 1 1 1 161.1 *161.1013* 161.1013@1.2219661 1 1 1 1 1 1 1 1 1 2224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.1013 *161.1028* 161.1028@2.4510832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2017 1 1 1 1 1 1 161.1028 *161.1038* 161.1038@2.4001236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3187 2424 1 1 1 1 1 1 161.1038 *161.1044* 161.1044@1.8800869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1842 1550 1 1 1 1 1 1 1 1 1 1 161.1044 *161.1048* 161.1048@1.1384857 1 1 2024 1 1599 1 1 1 1 2497 1 1 2101 2259 2887 1 1 2594 1 2875 1 1 1222 2261 1 1 1 3047 1 1008 2069 1890 3153 2543 1765 1 1 1 1845 2369 1 1 1485 1 1 1 1 1 1 1 1503 1 1 1 1 1 2160 1 1 1750 1 1 1 1 1 1 1 1940 1 1 2218 1294 1 1 1 1793 1 1 1 1 1853 1 1 1 1817 1 1 1 1 1 161.1048 *161.105* 161.105@3.020541 1321 1 1 1 1 1 1 1 1 1 1208 1491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.105 *161.1053* 161.1053@1.1121806 1 3329 1 4419 1 1 1 1 1 83194 4913 1 1 1 1 1 1 1351 1 6436 1 1 2469 1 2143 1 4771 1 1 1171 1 2768 1 1496 1 2743 1570 2737 1 1 1 1 3242 1 1 1 1 1 1 1 1 1 1 1 1 1 1568 1 2175 1 1 1 1 1 1 1 1 1 1 2169 1 1 1 1 1 1 1 1 2191 3433 1 1 2766 1 1 1 1 1 1 23946 161.1053 *161.1057* C7 H15 N O3 503764 512601 472771 465875 501590 502198 714202 718119 568390 489660 618120 608651 570970 566651 633273 652622 725347 726809 770138 769505 412574 411603 436806 438476 434551 432304 642678 631948 466734 471377 865356 860457 632626 627355 346296 347067 532698 540553 409503 407284 486594 495891 620412 628083 570988 574038 787545 784511 588971 594503 428244 423956 739004 743151 494497 500911 471642 461348 404538 404984 568890 594867 523408 518925 652001 641104 492776 490555 561663 561771 531487 521889 700894 714762 523772 523983 448644 452271 610408 608603 386310 382540 640445 640884 356741 351740 773480 769606 356659 336405 161.1057 *161.1124* 161.1124@1.2110835 1 1 1391 1420 1 1 1 1 1 1 1888 2679 1 1 1 1 1 1 1 1 1 1 1402 1 1 1 1 1 1 1 1 1 1 1 1020 1186 2663 2697 1 1 1 1 1 1 1 1 1 1 1 1 2239 1 4119 3118 1 1 2016 2176 1623 2691 1 1 1 1 1310 1578 1849 1 2832 4082 2335 2088 1 1 1 1 1 2242 1 1 1 1888 1 1 1 1 2864 1 1892 1296 161.1124 *161.1174* 161.1174@1.2057117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1266 1 1 1 1 2532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3772 1 1 3254 1814 1 1 1 1 1 1 5093 5242 1552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2081 1 1 1 1188 161.1174 *161.9439* C4 H2 O3 S2 4835 1 1879 4519 2025 2598 1717 2388 1979 4179 2596 1 1831 2104 5008 3595 1483 4796 1004 3990 2075 1982 5325 1797 2342 4631 2270 1912 1648 4971 3786 2368 1 4872 1 3311 1945 1 4225 1 1 4771 2895 1867 3301 1 1 1921 1 4891 1 2195 3276 1753 1857 1514 1783 1 1697 1996 1388 1 2254 1998 4438 1556 1484 1592 3938 2258 2315 1654 2518 4398 1850 4433 4401 1 2225 3690 1 1 3526 1568 2514 1 2075 4052 2818 3186 161.9439 *161.9439* C4 H2 O3 S2 + 0.8627589 1 4266 1 1 3131 2121 2339 2238 3034 1 1761 4797 1 2092 1 1179 3627 1 3825 1 2212 2400 1 3317 2460 1 1916 1 2614 1 1351 1846 4656 1 3150 1665 1 5482 1 1 5057 1 1807 3056 2109 5209 1 2819 1 1 1 2922 2233 2992 2216 2791 1482 5032 2885 1988 2956 1911 1 1 1 3238 3559 2571 1 1568 2144 1 1561 1 1 1 1 2153 1 1 1 1 1 2404 1 2835 2305 1 1908 1633 161.9439 *161.9458* 161.9458@0.92101634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1072 1 1 1 1 1 1 161.9458 *161.9843* 161.9843@0.7780103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1825 1 1 1 1 161.9843 *161.9907* 161.9907@1.9275901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4179 4245 1 1 1 1 1 1 1 1 1 1 161.9907 *162.0287* 162.0287@3.3017852 1 1 1 1 1 1406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0287 *162.0296* 2-METHOXYRESORCINOL 1215 1109 1147 1262 1 1 1082 1 1091 1179 1 1 1361 1 1380 1465 1315 1688 1 1 1102 1 1 1 1463 1531 1 2169 1 1 1218 1291 1 1 1 1044 1 2473 1878 1839 1436 1324 1212 1006 1 1 2056 2444 3004 1 1320 1238 1428 1432 1 1941 1828 1372 1240 1718 1 1 1734 1507 1267 1 1394 1468 1 1 1464 1532 1690 1672 1 1 1 1 1 1 1393 1444 1 1853 1390 1576 1261 1575 1723 1 162.0296 *162.0316* 162.0316@3.2795904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1022 1167 1113 1 1 1 1 1153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1218 1 1 1 1 1324 1145 1 1 1126 1 1 1 1 162.0316 *162.0334* 162.0334@3.792117 1 1 1 1 1 1 1 1081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0334 *162.0529* 2-Hydroxyadipic acid + 0.9071934 96421 109095 102329 103171 159407 72072 171393 168041 117547 109493 113964 117312 114413 106672 119655 46975 133670 119819 97358 101867 144722 139157 50334 109930 144057 147185 114088 119483 110628 44314 146491 147661 110875 111965 144162 152982 122314 130787 124655 124009 54361 116471 131806 126339 121060 116895 144172 149612 108702 108837 133034 136083 139088 48005 117613 115472 121227 124531 120212 120743 125421 120136 98035 41460 122508 119337 44919 123618 100500 100654 104599 107102 160787 160750 120503 115144 107972 106341 64462 134630 100667 105800 138765 139602 92033 38250 108771 38333 165827 63619 HMDB00321 C02360 162.0529 *162.0532* 162.0532@0.9812415 1 1 1 1 1043 1 1 1 1 13929 1 1 1 10464 1 1 1 1 1 1 1 1 1 5854 9113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6472 1 1058 1 1 1 1 1 1 1 3083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0532 *162.0534* 162.0534@1.2030067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0534 *162.0542* 162.0542@3.395138 1 1 1 1 1 1 1 1570 1344 1101 1 1 1 1 1395 1240 1 1 1940 1403 1 1 1 1 1 1 1548 1452 1 1 1743 1808 1 1 1 1 1 1832 1215 1162 2629 2955 1 1 1 1 2267 1646 1 1 1198 1 2154 3709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1062 1 1 1 1 2353 1 1 1372 1451 1 1 1 1 1 1 1 1 1 1 1 1 162.0542 *162.0678* ISOSAFROLE + 11.260149 1 1464 1742 1633 1770 1873 1448 1605 1 1 1 2174 1721 1738 1826 1 1 1 1539 1569 1 1 1656 1 1633 1 1395 1870 1 1 1 1483 1434 1851 1 1 1793 1616 1243 1802 1909 1 1589 1197 1 1213 1 1579 1 1 1268 1 1599 1 1 1 1 1 1874 1 1 1306 1 1 1638 1567 1 1 1353 1367 1 1683 1270 1 1 1 1549 1 1 1 1382 1 1 1 1 1 1 1443 1 1 162.0678 *162.0679* ISOSAFROLE + 7.876791 4958 4769 4846 2944 1 4310 4098 4329 4340 4146 4133 4223 5840 5886 4903 4562 4436 3498 4202 1 4306 4315 4644 4712 5203 4041 5438 4908 5089 4509 3747 4845 5441 5077 5065 5303 5541 4389 3858 4220 3512 3670 3420 4316 4257 4504 3929 3670 3264 3402 3588 4179 1468 4447 4155 3593 3763 3402 4390 4546 3665 2815 1130 3585 4982 4531 3540 3494 3042 3589 2983 2767 2762 3202 4125 4185 3299 3238 4635 5417 3491 3674 3735 3644 3132 3503 3748 3727 3796 4206 162.0679 *162.068* ISOSAFROLE 5368 1668 1173 1782 3841 1 1 4540 1 1126 1841 1372 1 1 1 3895 1392 1795 2201 5342 1393 1614 1 1 5372 1677 3911 2074 1 1887 1539 1 4525 5609 1507 1702 4969 5177 1670 1682 1382 4230 1396 1703 5157 1 1225 3958 1431 4183 5376 1468 4584 4972 1516 1279 1415 1 4775 1695 4016 1520 2907 1087 3083 3076 4247 1034 3918 3864 3767 1369 1285 1 1431 1276 3395 3785 4737 4055 3963 1333 1164 1031 3863 3637 1575 4205 3274 4295 162.068 *162.0684* ISOSAFROLE + 7.781458 1 4744 3347 4769 4717 3990 5556 1 4391 3444 2750 3375 6000 6457 5764 1938 3002 4325 3162 4741 3919 3373 4982 5311 1 4436 1734 3612 5289 4007 3123 4489 1 1 4127 4310 1 1 2906 3282 2698 1 4080 3417 1 5352 2929 1 2661 1 1 3255 3801 1 2846 2657 3321 4382 1 3620 1 4040 2397 2823 1107 1232 1 2571 1 1 1 1894 3145 2379 2851 3151 1 1 1 1 1 2721 1 3078 1 1 2892 1 1 1 162.0684 *162.0689* ISOSAFROLE + 11.294703 2062 1939 2043 1661 1484 2235 1843 1637 2153 2373 1172 1467 1538 1465 2004 1827 1900 1834 1668 1852 2145 1128 1365 1661 1437 1768 1797 1803 1 1 1754 1527 1168 1504 1 1 1404 1797 1990 1471 1726 1564 1764 1721 1744 1502 1216 1789 1517 1426 1393 1574 1820 1323 1457 1791 1154 1592 1473 1305 1604 1467 1911 1305 1798 1483 1565 1348 1647 1709 1257 1523 1374 1241 1 1 1591 1329 1411 1410 1517 1 1 1563 1583 1445 1 1664 1366 1 162.0689 *162.0775* 162.0775@2.2254748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7637 9465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0775 *162.078* 162.078@2.1324773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5333 9236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.078 *162.0803* 162.0803@2.7319214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0803 *162.0888* 162.0888@3.3767347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1891 2134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4356 5023 1 1 1 1 1 1 1 1 1 1 162.0888 *162.1034* 162.1034@1.001502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1122 1 1 1 1 1 1 1 1 1 1 1248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.1034 *162.1116* 162.1116@2.6150565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.1116 *162.1151* 162.1151@6.066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.1151 *162.1174* 162.1174@6.019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.1174 *162.1243* 162.1243@9.953224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1462 1106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.1243 *162.1248* 162.1248@0.66700876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.1248 *162.1249* 162.1249@5.9663305 1 1 9683 1 10318 1 1375 1 1 1 1 1312 1 1 1 1 11029 1 2724 9569 1 1 1301 1 1 1 1 1 1 1 1 1 1 1 1594 1 1 1 1 1 1 1 11213 1 1 1689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13013 1 1 1 1 1 1 4370 1 1 1 1 6042 1 1 1 1 1 162.1249 *162.1251* C8 H18 O3 12577 12955 1 9506 1 10162 12351 12489 9430 10313 10587 10750 12709 11204 16149 12405 1 10637 9219 1 15129 12867 13933 13948 80788 75924 8453 9225 12908 13895 11556 13455 10897 11246 15049 18082 15180 14683 11573 10697 8029 8260 1 13691 8698 7028 9648 10181 7878 8193 16993 16712 17359 17758 15180 13833 1 14511 17564 17538 14362 14826 15952 16261 17560 18259 15293 16477 21881 20460 14813 14861 1 14178 9277 10274 12572 13639 15362 11683 16836 16035 15932 12965 11439 14395 15812 15259 14193 14397 162.1251 *162.1255* 162.1255@7.8257484 1 1 1422 1384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9867 9629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1537 1972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.1255 *162.1404* 162.1404@6.1057463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18464 17524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.1404 *162.1942* 162.1942@4.524659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1183 1404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.1942 *163.0127* 163.0127@4.887616 1 1 1 1 1157 1380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.0127 *163.0237* 163.0237@0.87434095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1565 1 1 1 1 1 1 1 1 1 1 2256 1 1 1 1 1 1 163.0237 *163.0313* C8 H5 N O3 2553 3846 3668 4256 2142 2510 1079 1 1 1 6016 1 2984 1 1 3173 3781 2335 1 1 1 1 2787 2383 2348 3805 2499 1 3090 1 4082 3681 1198 2196 1 2418 1 1 2899 2690 1 1 2088 1 1 4092 1 1 1 2922 1427 1 3640 4243 1477 2634 2703 2523 1 2630 1 1 1 1 2924 3056 3289 3775 5240 5546 1 1654 1 1 2966 1 2035 1 3598 3173 2511 1972 2446 1 1 3845 1 1 1 2028 163.0313 *163.0354* 163.0354@0.88425064 1 1 1 1 1 1 1 1 1 1 1 1 1 5331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2778 1 1 5183 1 1 1 1 1 1 1 1 1 1 3635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.0354 *163.0456* 163.0456@0.9083331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3741 3627 1 1 1 1 1 1 1 1 1 1 1 1 1 4131 1 1 1 1 1 1 1 1 1 1 1 1 1 4701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2143 1 1 163.0456 *163.0512* 163.0512@0.92401195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.0512 *163.0531* 163.0531@0.9236048 1 1 1 1027 1 1 1 1 1462 1 1310 1 1 1 1 1 2173 1 1 1 1 1 1 1 1 1 1 1 1 2175 1 1 1 1 2574 1 1 1 1 2668 1 1671 1 1503 1 1 1 2305 1 1 1 1 1 1869 1 1 1 1 1575 2841 1 1 1 1 1 2910 1 1 1 1 1407 1 1 1 1 2792 1 1 1 1 1 1 2695 1 1984 1642 3114 1 1 1 163.0531 *163.0613* 163.0613@2.2553267 1 1 1 1 1 1475 1 1 1 1 1 1 1 1 2381 2178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1673 1000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.0613 *163.0615* 163.0615@3.1704528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1822 1594 1 1 1 1 1 1 1 1 1 1092 1 1 1 1 1 1 1 1 1 1 163.0615 *163.0626* 163.0626@4.7032313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.0626 *163.0633* 163.0633@1.2520201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1381 1 1 1803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.0633 *163.0635* 163.0635@2.2590451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.0635 *163.0667* 163.0667@4.704085 1 1 3354 1 1 1 3927 3879 8914 7767 18252 17495 1 1 1 1 1 1 3471 2825 1 1 1 1 1 4478 1 1 1 1 1 1 1 1 6935 1 1 1 1 1 1 1 1 1 1 1 1 4466 1 1 1 1 1 1 36849 36499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7029 6767 1 1 163.0667 *163.069* 163.069@2.9991472 1 1 1 1 1861 1747 1680 1045 1 1 1 1 1 1 1 1 1923 1 1 1 1691 1745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1161 1 1 2007 1799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2839 2626 1 1 1 1 1 1 1 1 1 1 1 1 2027 1 163.069 *163.0749* 163.0749@3.0164566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1996 1583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.0749 *163.0862* 163.0862@1.007035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2529 2984 1 1 1 1 1 1 1 1 1 1 163.0862 *163.0994* 163.0994@6.5626526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4751 4758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.0994 *163.1111* 163.1111@1.2059987 1 1 1 1 1 1 1 1 1 1 1 1397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.1111 *163.1319* 163.1319@5.915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.1319 *163.9157* C4 H Cl O S2 1 1 1 1 1836 1 1 2116 1 1 2680 1853 1 1 1 1 1 1 2536 1 1 1 1513 1 1 1 1 2429 1 1 2592 3470 1 1 1 1 2584 1 2411 2431 2664 1 1 1536 1 1 2361 1 2355 1983 1867 1 2602 1 1 1 1 1 1 1 3298 3222 2778 1 2142 1 3537 3801 2526 2719 1 1 1 2395 1698 1 1 1 3905 3050 2318 1 1 2963 2776 2389 1 2302 1 1 163.9157 *163.9171* Chloral hydrate 1843 2498 2859 2345 1 1504 3172 1 1256 2240 1 1 1948 1590 2249 2072 1 1 1 2432 2502 2058 1 2001 1973 1578 3188 1 1 1 1 1 1823 2378 2758 2006 1 2760 1 1 1 2309 1 1 1632 1347 1 2435 1 1 1 1 1 2274 1918 1316 1455 2014 2543 1930 1 1 1 3249 1 2183 1 1 1 1 2618 2469 1931 1 1 1711 1 1 1 1 1 1 1905 1 1 1 2654 1 1536 2440 C06899 163.9171 *163.9283* 163.9283@0.84099925 1 1 1 1 1 1 1 1 1 1 1 1803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.9283 *163.9939* C8 H4 O2 S 1653 1718 1783 1722 1 1814 1 2241 1 1 1766 1826 1717 1678 1622 1838 1671 1857 1477 1845 1624 1696 1 1933 1 1 1716 1707 1801 1624 1878 1988 1751 1855 2090 1996 1920 2100 2246 1793 1890 1978 1896 2033 1854 1632 1787 1897 2135 1 1948 2163 2099 1836 2359 1884 2245 1990 1 2198 2035 1886 1929 1863 1 1686 2129 1959 2050 1970 1847 1676 1605 1 1901 1934 1761 1953 1987 1914 1823 1823 2049 2098 1620 2150 1839 1649 1918 1722 163.9939 *164.0069* C3 H4 N2 O6 4145 4294 3506 3558 6647 5180 5255 5422 4014 4334 4013 4131 4198 3874 3711 4148 4378 4365 4005 3808 4426 4500 4408 4171 4218 3910 3851 3894 4431 3760 4998 4439 3741 3496 4722 4343 4517 3797 3907 3681 4054 4439 4533 4614 4656 4707 5527 5935 4091 4402 4358 4756 5144 4795 3920 4433 4443 5028 4331 4432 4721 6857 3681 3435 3967 4130 3552 3751 3689 3799 3930 3328 4930 4825 3317 3326 4110 3461 3821 3022 3515 3648 4291 4583 3760 3178 3682 3409 4479 5029 164.0069 *164.0326* 164.0326@3.2688475 1222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1532 2383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.0326 *164.0429* 164.0429@0.7780372 4857 4504 4579 4693 4215 3462 5009 5626 4110 4793 4670 3930 4732 4922 4416 4529 5284 4611 4536 4468 4476 4689 4963 5127 5105 4327 4933 6492 4116 5229 5106 5637 5758 6004 7124 5725 5917 6281 5229 5583 4387 5614 5399 6031 5179 5450 5843 5210 7485 7234 5858 4725 6085 5834 4426 5376 6085 5495 5749 6260 5609 7076 5580 5935 5136 5395 4540 4653 4730 5967 5646 5426 5908 5844 5497 5354 5550 6608 5648 5178 5878 5462 6227 6076 5243 5704 5702 5539 6021 5537 164.0429 *164.0474* p-Coumaric acid + 8.976108 4247 5031 4284 4171 4396 4391 4111 3924 4138 4026 3961 3596 4021 3799 3707 3853 4110 4517 4346 4268 3397 3813 3858 4178 4089 3783 3749 3908 4077 3440 3896 3956 4070 3741 3550 4210 4128 3808 3611 4347 4084 4168 3573 3604 4258 3615 3563 3758 3756 3383 4355 3624 3907 4012 3544 3977 2772 3917 3879 3807 4094 4274 3173 4051 4080 3684 3629 3683 4039 3324 4034 3217 4203 3836 3745 3846 3328 3833 3523 3710 3382 3251 3475 4052 3641 4282 3640 3783 3759 3397 164.0474 *164.0477* p-Coumaric acid 9967 4042 4584 5767 2218 2228 1 3042 1 1 12133 19578 17366 1 1820 1 12218 1672 2160 11473 4390 3426 1 1 1 1 1 1 1 1 1 7987 1 1 1 1 1 3281 1082 1978 1992 14740 11185 11787 1 1 1 1 1 1 1 1 10716 1 1 1993 1615 10560 1 2653 1 2662 11261 1464 16377 1 1 1 8836 1 2396 1785 19818 20062 1 7678 14145 14468 3673 10745 1502 1 1 12149 9190 7934 2341 18058 6515 1 164.0477 *164.0479* 164.0479@1.4379952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6738 12011 1 1294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.0479 *164.048* p-Coumaric acid + 1.7897145 3663 10286 16516 1 2569 8352 10881 10462 1 2290 21749 20201 16485 16032 8258 1 3893 3724 2217 13909 3484 1 1 1 10066 11555 8632 1 1 1 15112 1531 1 1683 1 9386 1401 7843 14915 10262 5207 19129 2047 14991 5421 8776 1 1 12668 1 1 11102 11149 13347 2287 2714 1 8865 1 1900 1 2694 3713 7249 20268 4631 1 1 13344 9231 8996 2733 22774 4142 2144 2165 1857 2105 2904 12826 3750 1 1 1980 9637 8964 3882 2763 1 1980 164.048 *164.0482* 164.0482@1.5069478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.0482 *164.0485* 164.0485@1.7360533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1024 1 1 1 1 1 1 1 1 1 1 1 1 1 164.0485 *164.0488* 164.0488@1.7503792 1 1 2222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1498 1 1 1 1 1 1 1 1 1 1 1879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5195 1 1 1 1 1 1 1 1 1 1305 1 1 1046 1 1 1 1 1 1 1 1 1 1 1 1 1 164.0488 *164.0609* 164.0609@0.9039924 1 1590 1 1 1 1 1 1 1 1 1569 1 1 1 1 1 1 1405 1 1 1 1 1 1 1 1255 1 1 1104 1 1 1 1 1 1 1 1 1 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.0609 *164.0616* C6 H12 O5 1318 1140 1 1 3049 3208 2488 2622 1729 1 11725 1096 1459 1 1 1 1189 1 1 1420 3767 4150 1556 1186 1 1 1452 1 1 1 1974 1 1 1 1988 2189 1770 1722 1 1847 1804 1 2187 1 1 1 2896 2528 1 1796 1632 1872 1295 1 1126 1 1 1 1967 2142 1101 1746 1303 1 1 1847 1614 8075 1 1 1 1 2462 1731 1839 1960 1 1 2694 2950 1678 1 1 1 1 1 1 1174 2942 3158 164.0616 *164.0632* 164.0632@2.319456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1418 1 1667 1 1 1 1 1 1 1 1 1 1 1 1 1 2459 1878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1659 1 1 1 1 164.0632 *164.0686* 164.0686@0.99212545 1 1 10391 1 1 10884 1 1 1 1656 1 46807 1 11765 98436 1827 1 1 1 1219 1 1 1 1 1 1 17780 68626 1 1 1 1 1 1 1 1 1 1422 43186 1 1 1 1 1 1 1001 1 1 1294 55677 1 1 1 2764 1 1 1 1 3122 1 4195 1 1 1 1 1 31343 1 1 1502 1735 1217 1 1 1 1 1 42851 1 1 54191 1 1 1 1 1 1 1 1 1 164.0686 *164.0694* 164.0694@3.0047274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9786 9333 1 1 1 1 1 1 1 1 1 1 164.0694 *164.0742* 164.0742@0.9819862 1 1 1 1 1 1 1 1 1565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.0742 *164.1038* 164.1038@3.733504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.1038 *165.0418* 165.0418@3.0371828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2635 2491 1 1 1 1 1 1 1 1 1 1 165.0418 *165.0423* 165.0423@0.78602403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.0423 *165.0451* 165.0451@2.74311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2275 2446 165.0451 *165.0479* 165.0479@0.8868589 3430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2038 2666 2454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1270 2026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.0479 *165.0519* 165.0519@0.90599495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.0519 *165.0586* 165.0586@1.7840294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.0586 *165.0647* 165.0647@1.8050301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.0647 *165.0658* 165.0658@1.8847767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3907 1 1 1 1 1062 1 1 1 1 1 1 1038 1 1 1 1 1 1 1342 1 2218 1026 1 1264 1 1 1 1 1 1 1 1736 1 1 1 1 1 1 1 1 1 1 1 1 3097 1 1 1 1 1 1 3177 1 1 1 1 1 1 1081 1 1 1 1 1 1 1 1037 1 1 1 1 165.0658 *165.0661* 165.0661@1.8998839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2769 2477 1 1 2201 1 1 1 1 1 1 1 1748 1 1 1 1 1 1 4294 1 1 1119 1 1318 1 1 1 1 1 1 1556 1 1 3646 1 1 1 1 1 1 1 1 1 1221 1676 1 1 1 1 1 1928 2533 1362 1 1550 1 1 1 5279 1 3447 1 1 1 2102 1 2212 4207 1 1 1 165.0661 *165.0662* 1-Methylguanine 1 2845 1 1 1 1 1 1 1 1 5071 1 2230 1 1 2816 1 1 8941 6465 1 1 1678 1 5313 4520 2385 1 3796 4047 4347 1528 7488 3969 5176 7226 1843 4910 3403 6332 5490 1 3425 2992 1 4874 5152 1 1 1837 5156 4024 3590 1 1 3536 1128 1 1 3323 7897 1324 2529 4920 2241 5638 1 7781 1 3214 3882 2209 1 4653 1 1 3328 3843 6939 2569 1 1 3133 8317 4787 6134 5260 4894 1 1 HMDB03282 C04152 165.0662 *165.0671* 165.0671@1.908005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.0671 *165.0766* 165.0766@1.0376782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3218 1 1 1 1 1 1 1 4146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3480 1 42662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1945 1 1 1 1 1 1470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.0766 *165.0768* 165.0768@3.4671237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1660 165.0768 *165.0788* 165.0788@3.9341521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.0788 *165.0789* Phenylalanine + 3.2762616 159913 1 1 209515 135755 135760 1 168885 1 1 1 1 1 1 1077 1632 233158 2766 154408 1 1 1 130637 130753 1 1 1 1 1331 2112 2301 1 168350 1 1 1 126972 128480 149112 147569 185917 190872 167103 1611 132557 134147 172843 1 4980 4629 160708 1 210370 207328 141113 1261 162622 164239 138724 139303 1 1 1 1 2718 1 120889 122060 1 1 1 150817 1 1 1 2579 1 1 129203 1 1 1 1 2097 134549 137761 1 1 144472 1 HMDB00159 C00079 165.0789 *165.079* 165.079@3.4334185 1850 1745 1895 1018 1964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1568 1 1 1 1 1 1 1891 1 1 1 1 1 1 3446 1 3512 1 1635 1 1885 1 1 1 2230 1675 1 1 1 1 1 134024 1310 1 1 1 1 1 1 1091 1 1 1 1 1 1 1 1 1 1 1 1 5108 1 1364 1 1 1 1 1 1 1 1 1 1 1 165.079 *165.0792* 165.0792@5.292049 1 1 1 1 4612 3950 1 1 1 1 1 1 1582 1337 1 1 4504 4310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1767 1716 1 1 1 1 1 1 1 1 1613 1302 1 1 1 1 1 1 1 1 1 1 18610 18680 165.0792 *165.0797* Phenylalanine 1 1 1 1 4523 4747 1 3250 1544 1571 2778 2096 2584 2211 2875 1 1 1 1 3154 3814 4030 1765 1 1 1 1 1 2037 2026 1615 1627 1 1730 2566 2734 1151 2532 1 3406 1 1 1863 1501 2309 1 3161 3231 1 1 1 1747 1897 1323 1 1066 1169 1575 1069 1061 3824 3403 1118 1195 3377 3053 1650 1 2665 2891 2035 1588 1807 1694 1 2437 2000 1 2514 8279 1 1 1 1 3267 3462 1881 2375 1555 1200 HMDB00159 C00079 165.0797 *165.0886* 165.0886@2.458734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.0886 *165.0887* 165.0887@2.4148836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4382 2076 1 1 1 1 1 1 1 3671 1 1 1 1 1 1 2595 1061 1 1 1 1 1139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.0887 *165.105* 165.105@5.917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.105 *165.1843* 165.1843@1.0212961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1213 1253 1000 1128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1289 1 1 1 2016 1839 1 1 165.1843 *165.1869* 165.1869@3.2360096 1782 1963 2655 2758 1534 1339 2182 1788 1291 1464 2903 2903 1989 1508 2188 1941 3127 3201 1818 1649 1993 2055 1399 1414 2138 2175 2257 1632 2378 2269 2408 2428 1929 1986 2041 1794 1437 1321 1769 1429 2142 2230 1230 1819 1364 1349 2027 2004 2121 2177 1186 2035 2340 2446 1643 1512 1921 1801 1 1005 1974 1810 1990 2416 3261 3688 1183 1392 2565 2993 1801 1773 2833 2398 2289 2347 2194 2052 1280 1257 1815 1772 2633 2647 1382 1558 4260 4542 1677 1725 165.1869 *165.9586* 165.9586@0.7972069 1 1 1 1181 1 1222 1 1 1 1 1 1 1 1 1 1 1 1 1 1110 1 1 1 1 1 1031 1 1 1 1 1 1676 1552 1493 1 1177 1630 1 1588 1 1 1401 1349 1257 1253 1 1 1 1 1 1101 1 1 1 1 1 1 1 1 1 1 1 1124 1 1568 1 1 1 1519 1 1 1 1082 1226 1 1 1 1 1195 1424 1 1 1 1 1757 2055 1 1490 1 1 165.9586 *165.962* 165.962@0.7975234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1549 1 1 1 1396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.962 *165.9644* 165.9644@0.7968111 1 1 1 1 1 1 1 1 1267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1121 1 1 1 1123 1 1 1 1 1323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.9644 *165.9725* 165.9725@0.7949879 1 1 1 1 1 1 1 1 1 1 1 1 3204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.9725 *166.0185* 166.0185@0.7870116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0185 *166.0253* 166.0253@0.790343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1024 1 1 1 1 1 1 1 1 1 1 1 1 1 1337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1187 1 1 1 1 1 1 1 1 1 1 166.0253 *166.0285* 166.0285@0.79200244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0285 *166.0503* 166.0503@3.0782957 1 1 1 1 1 1 1572 1894 1 1 1 1 1 1077 1984 1797 2028 1 1407 1840 1 1 1 1 1 1 2287 2298 1 1 4849 2999 1230 1 1 1 1 1 1 1631 3151 1864 1 1 1 1 3403 3265 1 1510 1 1 1200 1 1 1 1 1 1 1 1 1 1 1 1 1 1937 1995 2762 2152 1 1 1 1 1 1 1 1148 1 1 1 1 1 1 2098 1893 1 1 1 1 166.0503 *166.0516* 166.0516@3.034513 1 1 1 1 1 1 2846 2551 2000 2847 1 1365 1 1576 1831 2014 1176 2178 2202 2895 1 1 1 1 1 1 2727 2943 1 1 2756 4115 1 1 1 1 1 1 2020 2050 1850 2906 1 1 1 1 4873 6051 1 1 1 1 2291 2418 1 1 1 1 1 1 1 1534 1 1 1 1 2369 2530 4344 3710 1 1 1 1 1 1 2083 2230 1 1 1 1 1 1 1 1618 1 1 1 1130 166.0516 *166.055* 166.055@3.0558689 1 1 1 1 1 1 1 1 1 1 2041 1316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1545 1 1 1 1 1 1 1194 1 1 1 1 1 1 1 1 1 1339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.055 *166.0571* 166.0571@3.0251307 1472 1 1 1 1 1 1 1 1 1 1 1 1538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1964 1 1 1 1 1 1 1 1 1 1 1622 1 1 1 1 1 1 1 1 1 1 1235 1 1 1245 1 1 1 1 1 1 1 1 1 1392 1 1 1 1 1 166.0571 *166.0637* 166.0637@3.0315275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2115 1 1 1169 1 1 1 1 1 1 1 1441 1 1 1 1 1389 1 1 1 1 1 1 1 1 1 1 2018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1805 1 1 1 1 1 1 1 1 1 1 1211 1 1 1 1 1 1 1 1 1 1 1 1092 1 1 166.0637 *166.0677* 166.0677@3.4734132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1104 1722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0677 *166.0783* 166.0783@6.8230224 1380 1127 1 1305 1 1 1162 1120 1 1260 1104 1 1 1 1 1 5313 6572 4366 3718 1307 1 1 1525 1 1 1 1 1676 1 1 1 1 1014 1 1 1 1 1 1054 1347 1007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3033 3076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14232 15309 166.0783 *166.0784* 166.0784@6.6664114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10132 11251 4681 4869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2809 3404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7683 6968 166.0784 *166.0788* 166.0788@8.513854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3449 4230 5354 5888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6849 7315 166.0788 *166.082* 166.082@6.8295794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.082 *166.0842* 166.0842@3.7601423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0842 *166.0846* C6 H14 O5 3001 3293 3641 4305 2768 2725 3924 4011 3157 3307 4201 3571 4863 5060 5851 4345 4728 4024 5783 6081 5553 6409 3446 3060 4493 4460 4921 5000 2871 3705 3684 4292 3222 3388 3674 3579 3434 3471 5885 6082 4994 4366 3829 3743 3674 3628 3809 3540 3734 3630 4847 4923 4125 3969 3225 4131 4302 4103 7177 7569 3778 4385 3617 3507 5396 5565 9421 9836 6994 6610 7001 6723 4263 2860 4854 4511 5116 5661 5136 4877 8036 6498 4637 4835 4300 4316 4228 3473 5885 5439 166.0846 *166.0846* 166.0846@3.7674048 1 1 1 1353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0846 *166.0965* 166.0965@5.534729 1 1 1460 1 1 1 1 1 1 1 1 1 1 1841 1275 1 1323 1 1 1292 1268 1 1601 1 1 1 1876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1372 1 1 1 1 1 1 1 1356 1258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1817 1 1 1 1 1 1 1 1 1 1 1 1 1 1776 166.0965 *166.0978* 166.0978@3.892149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0978 *167.0417* 167.0417@3.189695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1347 1429 1 1 1 1 1 1 1 1 1305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1404 1254 1 1 167.0417 *167.0499* 167.0499@6.074234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24641 25076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9158 9704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0499 *167.0511* 167.0511@5.9839697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1692 1256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0511 *167.0551* 167.0551@2.985848 1 1777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0551 *167.0559* C8 H9 N O3 1 1168 2899 2085 3076 3085 8368 6786 1 4403 3470 1753 8827 3369 5176 10389 1 1 13761 8298 2417 6191 1 4512 2866 1 1 9347 2105 1 1 1 5285 4882 1 1 1 1 1 1 6870 1 1 9594 1 1 5181 1 1 4499 8347 8591 3321 10856 3460 1 2266 5256 6570 13499 1 1 6099 8681 1 1 8846 1 3666 6550 7507 1 1 2619 1 8220 3801 1 25430 1299 1 1 3076 8272 1 1 1 5552 5505 4691 167.0559 *167.0563* C8 H9 N O3 + 0.8491616 1 1 1 1 1010 1036 1440 1290 1 1 1 1 1127 1057 2218 1013 1 1764 1138 1421 3748 2068 1218 1308 1 1 1125 1 1 1 1317 1241 1 1 1 1247 1559 1633 1048 1300 1086 1182 1 1 1 1192 1603 1585 1026 1062 1 1097 1302 1387 1 1177 1 1 1 1463 1 1082 1234 1293 1234 1 1078 1 1 1004 1213 1271 1 1 1 1 1 1 1149 1 1376 1 1524 1372 1030 1547 1 1 1559 1573 167.0563 *167.0563* 167.0563@3.433867 2407 1930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2105 1965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6136 6522 1 1 1 1 1 1 1 1013 1 1 1 1 1 1 167.0563 *167.0567* 167.0567@2.943915 1 1366 1700 2680 3240 3692 5538 1 1 3597 1 3196 1 1 1 1 1 1 1 5160 1 1 1 6191 2484 1 1 1 1 1 1 1 4590 5804 1 1 1 1 1 1 1 1 1 1 1 1 7100 1 1 1 1 1 2769 1 3301 1 1 1 8193 1 1 1 7817 3124 1 1 1 1 3347 2653 5329 1 1 1 1 1 1 1 1 1 1 1 5135 1 1 1 1 1 7501 8741 167.0567 *167.0582* 167.0582@1.5650427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6852 5086 167.0582 *167.059* 167.059@1.2500293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15146 16370 167.059 *167.0594* 167.0594@0.90633756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1750 1 1 1454 3642 1 1 1 1 1 1 1 1 1 1 1048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8296 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0594 *167.0596* 167.0596@1.7340727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1647 167.0596 *167.0608* C5 H13 N O3 S 1965 2263 1 1 1789 2347 1 1 1 3014 1 2462 1 3388 1 1 2378 1 1 1 1 2040 1440 1796 1 1 2555 1 1 1156 1 1 1 1 1 1550 1306 1404 1 1 1 1 2740 2872 1 1 1 1 3974 3117 2689 2638 2195 2532 1459 1 1628 1608 1 1 1416 1242 1128 1492 1751 1633 1 1 1 1452 2159 1 1417 1726 1 1 1409 1209 1 1493 3099 3698 3813 3414 2108 1 1 1192 1 1 167.0608 *167.067* 167.067@1.2476536 1 1 1 1 1 1 1 1 3203 1 2790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.067 *167.0718* 167.0718@1.2455045 1 1 1 1 1 1 1 1 1 1 1 1 3130 1 1 1 1 1 2649 2525 1930 1 1 1 1 1 1 1 1 1 1 1 3719 3258 1779 1 1 1 1 2611 2863 1931 1 1 2601 1 1637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1504 1074 1 1 1 1 1 1627 1 1 1 1322 1 1 1 1 1 1 1 1 1 1 1 167.0718 *167.0852* 167.0852@1.2454851 1 1 1 1 1 1 2084 3331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0852 *167.0913* 167.0913@6.671719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0913 *167.0917* 167.0917@6.8236494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0917 *167.0946* 167.0946@3.425662 1 1 1 1 1 1 2688 2962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0946 *167.0968* 167.0968@1.089015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0968 *167.0985* 167.0985@3.2912295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1287 1 1 1 1 1 1 1 1 1 1 1 1 167.0985 *167.1053* 167.1053@1.0904782 1 1 1 1 1 1 1 1 1 1 1614 1656 1 1 1 1 1 1 1615 1828 1 1 1 1 1 1 1223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1237 1 1389 1250 1 1 1 1 1441 1331 1 1 1 1 1 1 1 1226 2441 2231 1743 1564 1 1 1 1 1 1 1 1 167.1053 *167.1082* 167.1082@2.9625988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1099 1 1 1 1 1 1 1 1 1 1288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.1082 *167.1107* 167.1107@3.0098104 1 1 1 1 1 2496 1688 1 1073 1 1 1 1 1 1 2149 1 1 1 1 1028 5412 1844 1187 4028 1202 1 1 1967 1 1 1 1 1 3139 1 1301 1 1762 1401 1 1 1808 1 1003 1 2285 1 1 1 1 1192 1 1 1 1 1203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2156 2327 1985 1 1348 1 1 1 1 1 1 1061 2275 167.1107 *167.1146* 167.1146@3.1065528 1 1 1674 1 7596 3828 1 1 1 1 1 1 1 1 1 4739 1 4252 1 1 1 5127 1 1554 3666 1 1153 1 1 1 1 4715 1 1 1 1 1 1 1 6122 1135 1 1 1 2842 1 3642 3355 1 1230 7844 1 1 1 1 2536 1224 1 1 1537 1 1 1 3752 1 1 1 8363 1 1 1 1 1166 7598 1870 1 1 1 2219 1 1545 1 1 1 1 7409 1 1 1 1536 167.1146 *167.1153* 167.1153@3.1264615 1 1 1 1 1 2979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.1153 *167.1226* 167.1226@5.919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.1226 *168.0285* Uric acid 15536 14459 26342 26316 21832 20512 35762 35517 18108 19959 36925 36920 21638 20500 19480 21458 21319 22069 27910 27214 24251 25505 15872 14603 15922 14881 30871 31040 19472 18919 25331 24470 33954 32113 23560 24709 31388 28929 17324 19792 22409 21377 27323 27216 13929 14838 29952 28408 43718 43232 18005 18946 28740 29243 21386 22308 13800 13199 14490 14031 38859 37321 24028 24564 36592 39093 32150 32607 33360 32922 22864 21468 25613 26311 24141 25618 24939 23968 12029 13559 20600 22402 28413 28922 35710 36696 31511 31793 15438 16034 HMDB00289 C00366 168.0285 *168.0288* 168.0288@1.3175337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0288 *168.0337* 168.0337@1.3646296 1 1 1 1 1 1 1 2315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2281 1 1 1 1 1501 1 1 1 1 2590 1 1 1 1 1 1 1 1 1 1 1 1 3314 1 1 1 1 1 1 1 1 1 1 1 3017 1368 2357 1 2454 1 2255 3022 1001 1 1729 1 2800 1 1186 1 1 1 1 1 1 2362 2439 1 1323 3377 1425 1 1 168.0337 *168.0354* 168.0354@1.35382 1 1 1 1 1 1 1156 1 1 1 1 1 1 1 2693 1 1 1 1 1 1 1 1 1 1 1 1003 3261 1 1 1 1091 1 1 1 1793 1 2254 1 1 1 1 1 1 1 1 1559 1456 1 1230 1255 1 1485 2176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2257 1 2434 2458 1 1 1 1 2704 1 1 1 1 1 1 1292 1 2468 1885 1 1 168.0354 *168.0364* 168.0364@2.9957504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0364 *168.0404* 168.0404@1.3709571 1 1 1 1 1 2565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0404 *168.0407* 168.0407@5.2287703 1 1 2981 2662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0407 *168.0439* 168.0439@3.0305042 1 1 1 1 1 1 1882 1753 1 1 1449 1054 2309 2076 1 1 1389 1147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3885 3699 1 1 1 1 1642 1975 1 1 1609 1848 3155 2857 1735 1533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0439 *168.0513* 168.0513@0.9124248 1 100177 80934 79473 1 1 2092 1 1 103126 108176 106573 1 85624 80344 1 1 1 68940 74496 1 1051 1 1 1 1 1 1 98796 1 1 1 80474 81075 1 1 1601 89326 1 1356 97239 98215 88444 1 1 1 1 1 1246 78393 1 1 1 1 1 110883 1202 1 1 1 1 1 24609 1 1 1 76370 1 89010 89211 1 1 1 1 1 106715 1 1 1062 1 1 91378 1 1 83736 1 1 1 1 1 168.0513 *168.0525* 168.0525@0.8650094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 68414 1 1 1 1 1 1 1 1 1 1 1 168.0525 *168.0526* 168.0526@1.1811713 1 1 1 1 1 1 1 1569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1881 1088 1 1277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1245 1 1 1 1 1 1 1 1 1 1 1 1 1 1499 1 1 168.0526 *168.0576* 168.0576@1.1133881 1 1150 1 1 1 1 1813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2015 1 1 1 168.0576 *168.0706* 168.0706@4.6763487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7067 6481 1 1 1 1 1 1 1 1 1 1 168.0706 *168.0788* 168.0788@4.155093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0788 *168.079* 168.079@3.461452 1 1 1 1 1 1 1 1 1 1 1 1 1323 1140 1 1 4447 4594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1835 168.079 *168.0805* 168.0805@4.1961074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1638 2179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1996 1 1 1 1 1 1 1 1 1 1 168.0805 *168.0855* 168.0855@3.456935 1 1 1 1 1 1 1 1 1 1 1 1 1 1248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1559 1 1 1 1 1 1 1 1 1 1 168.0855 *168.087* C3 H13 Cl N6 1282 1275 2525 1751 1663 1 1480 1460 1 1771 2160 1884 1 1701 1 1487 2081 1 1 1703 1 1362 1799 1658 2054 2011 1440 1 1 1 1456 1496 1 1 1633 1582 1251 1 1 1 1547 1 2464 2789 1915 1639 1784 1847 1712 1 1 1744 1838 1 1655 1752 1629 1 1 13614 1694 1 1 2296 1396 1 1 1608 1950 2345 1362 1413 2292 1 1 1 1505 1 1572 1452 1602 1225 1383 1 1 1 1334 1500 1 1736 168.087 *168.0883* 168.0883@3.9975305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3992 4901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0883 *168.0898* Pyridoxamine 10947 10051 9449 10444 19298 17889 15727 17161 11151 10235 21963 22358 11371 10917 10850 11183 10174 9698 18563 17077 15572 15608 10300 9680 7610 8348 27435 26289 12843 10710 27477 28483 17541 18827 18244 17712 20928 21121 17962 18074 17300 17938 12355 12183 8409 9223 24072 25562 34306 33412 20711 20343 18524 20037 13082 13399 11304 9388 9030 8102 20362 19624 12986 11410 15472 14850 36174 33388 21783 20227 14072 14722 12919 12272 12320 13224 18349 16721 14888 17042 21508 23642 13241 13003 21270 18429 15927 16031 9939 9797 HMDB01431 C00534 168.0898 *168.1126* 168.1126@2.8840039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.1126 *168.1131* 168.1131@2.9635353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3245 3173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.1131 *168.1136* 168.1136@4.605409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1905 1 1 1 1 1 1 1 1 1 2348 2103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.1136 *168.1142* 168.1142@3.0530381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3065 2902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.1142 *168.1145* 168.1145@7.112374 1 1 2012 1984 1 2095 1 1 1965 1263 1 1 1497 1 2040 2018 1 1 1 1 1 1 1045 1297 1 1 1988 1 1930 1579 1 1 2395 1896 1 1 1 1 1 1591 1 1 1568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.1145 *168.1232* 168.1232@5.237025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.1232 *168.1616* 168.1616@0.8915418 1 1 1 1 2446 2008 1667 1 1408 1 1503 1 1 1 1 1015 1271 1 1 1 1263 1 1 1 1923 1 1 1 1 1 1 1 1 1 1 1064 1 1 1 1 1 1193 1 1 1 1 1265 1280 1 1 1 1347 2140 1 1374 1167 1 1 1 1811 1 1 1 1 1613 1 1 1 1 1 1 1 1773 1814 1 1 1 1 1 1 1 1 1 1 1 1 1 1595 1584 1109 168.1616 *169.0138* 169.0138@4.8508816 1 1 1 1 3446 3717 1622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1686 1 1 1 1 1 1 1 1 1 1 1510 1 1 1418 1 1 1568 1 1 1 1 1 1 1 1 1 1 3308 1 1196 1281 1 1 2431 1 1 5543 1 1 1 1 1 1 1 1 1969 1 1 1851 1483 1 1 1 1 1 1 3451 1 1 1 1 1 1 1 1 1990 2041 169.0138 *169.018* 169.018@2.3198476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1994 1984 1 1 1 1 1 1 1 1 1 1 1 1 3123 2351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1776 1 1 1 1 169.018 *169.0227* C4 H11 N O2 S2 7556 6840 6332 7308 6506 5633 6485 6860 6935 6696 6711 6035 7912 6719 7194 7041 7091 6017 7776 7289 6628 7651 8462 8022 6882 7733 7516 6792 6904 8313 8630 7157 7901 8083 7984 7527 9078 7791 7046 7574 7177 7112 8915 7828 7082 8083 7370 7803 9440 8121 8013 9088 8471 9201 7185 8456 8899 7515 7712 8255 8103 8470 8041 7059 7830 7890 7474 8717 7743 7124 7888 7641 7432 7555 8184 7589 7817 8322 8014 8584 9139 7138 8796 8824 8193 7981 8196 7506 7069 7658 169.0227 *169.028* 169.028@0.9329225 1 1123 1 1 1 2076 1 2187 1 1425 1063 1 1 1 1 1 1370 1 1 1 1 2060 1 1 1 1 1 1 1462 1424 2030 1 1 1 1462 2068 1 1 1 1666 1193 1932 1256 1 1433 1552 1711 1697 1 1 2008 1 1 1 1 1 2393 1732 1924 1779 1 1 1 1 1 1 1 1 1 1 1 1 2429 2318 1901 1651 1 1 1619 1337 1 1 1517 1539 1 1752 1 1 1 1936 169.028 *169.037* 169.037@1.1005973 1859 2100 1 2792 1 1 3495 3342 1 1 2470 2718 1 1 1 1 3856 1 1 4408 1 3091 1 1 2070 1 2279 2053 1833 2236 1 1 1 1 1 1 1 1 1 1 5946 1 1 1 3952 3997 1 1 1 3503 1 1 1 1 1620 1 1 1260 2384 1 1 2784 1 1 2077 1 1 2079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.037 *169.0682* 169.0682@3.018007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.0682 *169.0691* 169.0691@1.2860062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.0691 *169.0731* 169.0731@1.9650626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9338 10669 169.0731 *169.0733* 169.0733@1.5990248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1339 1 169.0733 *169.0737* Pyridoxine (Vitamin B6) 1 2098 1813 1 1811 1 1823 1 2889 2206 2058 1 1679 1 2463 1 2426 2063 2341 1 1 1 1667 1 1 2824 1349 1 1 2431 2512 2059 1 2170 1 1 2355 1 1 1 1 2393 2240 1317 2069 2006 1 1 1 1 3087 2131 2255 2412 2606 2123 1 1 2238 2215 1 1 1 1 1132 1 2089 1 1 1918 1984 1 2183 2282 1 2427 2111 2225 1 1 1072 2080 1 1889 2100 2447 2018 1 1 1595 C00314 169.0737 *169.0738* 169.0738@1.2610033 1 1 1 1 1 1 1 1007 1 1 1 1 2481 1 1 1 1266 1 1 1 1 1580 1 1 1 1 4753 1 1 1 1 1 2223 1 1 1 1 1 1 1 1212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1033 1 1 1 1 1 1 1 1 1 1 1 1211 1 1 1 1 1281 1 1 1 1 1 1 1 1 1 1 1 169.0738 *169.075* 169.075@1.1280063 1 1 1 1 1 1 1 1500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.075 *169.0758* 169.0758@2.9715674 1 1 1 1 1 1 1 1773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.0758 *169.0794* 169.0794@1.2050115 1 1 1 1 1 1 1 1 1 1 1119 1922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2571 1092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.0794 *169.0802* 169.0802@1.2449938 1 1 1 1 1 1 1 1 1 1 1041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.0802 *169.083* 169.083@0.9150139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.083 *169.0845* 169.0845@0.8223897 1 1 1 1 1 1 1 1203 1 1 2377 2125 1 1 1 1 1 1 1 1 2025 1669 1 1 1 1 2653 2063 1 1 1 1 1 1 1 1095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1097 1231 1 1 1 1 1 1 1 1 1 1 1 1392 1557 1 1782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.0845 *169.0847* N(pai)-Methyl-L-histidine 23549 23240 34848 35288 63116 60068 46786 48358 23887 23343 77339 77311 31488 32092 27076 27531 27512 25113 47695 48092 68826 67999 20964 21730 23945 23296 105068 99158 31182 29968 56793 52912 37995 38957 45195 46822 26891 26207 37409 38880 32760 32375 42797 42983 26404 26437 33232 33353 47114 47934 34775 34734 53788 52373 46563 48258 32973 33494 29591 28584 45942 44951 51159 50551 40969 40795 100266 109188 55912 50535 28970 29087 28559 27282 32171 33640 25530 25430 24990 23907 32364 33180 24698 24584 43509 43835 59011 57775 34362 32301 C01152 169.0847 *169.0861* 169.0861@3.9920864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.0861 *169.0964* 169.0964@1.2530392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1085 1 1 1 1 1 1 1 1 1 1 1 1 169.0964 *169.1021* 169.1021@1.2462085 1 1 1 1 1 1079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1208 1174 1 1 1 1 1051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1072 1 1 1 1 169.1021 *169.1056* 169.1056@4.8262453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.1056 *169.1076* 169.1076@1.1880325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1229 1 1 1 1 1 1 1 1 7062 7768 1 1 1 1 1008 1 1 1 1 1 169.1076 *169.1078* 169.1078@4.7947326 4535 3666 4117 3391 5310 5881 3243 3022 3477 3465 3252 3807 3174 3736 4704 4775 2914 3026 6550 8189 2539 2442 2482 3458 2665 2599 3575 6115 3634 3553 2868 3632 28753 29989 2738 2449 6766 7098 4690 6008 2874 2970 2910 3054 4624 6426 2228 1770 2116 2177 2155 3180 2372 2213 2727 2838 2740 2907 4070 4432 2625 2344 3098 2903 2069 1968 18131 16968 2864 3646 2793 3092 2381 2554 2269 2352 1 2552 3389 3089 2310 2153 2223 2596 2252 2640 2476 1431 2991 2257 169.1078 *169.1078* 169.1078@4.0701475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3423 3467 1 1 2445 2350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.1078 *169.1958* 169.1958@0.8780086 1 1 1 1 1 1 1 1 1 1 1006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1467 1304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.1958 *169.9628* C4 H7 Cl O S2 1744 1675 1160 1136 1287 1702 1831 1549 2231 2212 1620 1744 2529 2348 1848 1642 2237 2183 2095 2463 1 1743 3033 3333 1197 1275 1368 1483 1451 1492 2179 2618 1566 1339 2275 2385 2659 3011 2508 3092 1747 1931 2271 1 2143 1749 2023 2173 1576 1402 2087 1955 2633 2771 1916 2073 1 1307 3252 3465 2844 3121 3007 2751 1344 1704 1644 1881 1954 2313 2472 2909 1564 1612 1822 1776 2131 2350 2821 2989 2513 2396 2091 1959 3056 3214 1 1567 3570 3411 169.9628 *170.0248* 170.0248@0.774984 1 1 1 1 1 1318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0248 *170.0556* 170.0556@1.8440645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12573 1 1 1 1 1 1 1 1 1 1 170.0556 *170.0561* 170.0561@2.0150912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5147 1 1 1 1 1 1 1 1 1 1 170.0561 *170.0564* 170.0564@2.3651032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1096 1 1 1 1 1 1 1 1 4997 6800 1 1 1 1 1 1 1 1 1 1 170.0564 *170.0564* 170.0564@3.6594212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4539 5723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1147 1 1 1 1 1 1 1 1 1 170.0564 *170.057* 170.057@2.2897701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4410 3271 1 1 1 2566 1 1 1 1 1 1 170.057 *170.0574* 170.0574@3.1480603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1342 1147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0574 *170.0577* 170.0577@3.376568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1283 2523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0577 *170.0589* 170.0589@3.6951375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0589 *170.0598* 170.0598@1.3750242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1124 2252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2007 1 1 1 1 1 1 1 1 1 1 170.0598 *170.0619* 170.0619@4.270191 1 1 1 1 1715 1889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0619 *170.0635* 170.0635@1.2235886 1224 1 1 1 1 1 1 1048 1 1 1 1 1417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0635 *170.0635* 170.0635@3.7100334 1 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0635 *170.0682* 170.0682@1.2250228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0682 *170.0699* ANETHOLE 1 1 1 1 4810 1622 2715 2444 1 1995 5173 5665 1 1 1 1 1 1 3714 3243 4262 4495 1 1 1 1 7579 12161 1 1 3175 2571 1 1317 2775 2374 2725 2337 2320 2060 2623 1301 1753 1610 1 1 1775 1 1348 1 1 1 1 3027 3461 4047 1 1 1 1 3945 3787 3427 3558 1433 1 6082 5412 3609 3353 1408 1299 1 1 1 1 3281 1745 4762 4646 2962 3041 1 1 2606 2697 2675 1908 1767 2586 170.0699 *170.0716* 170.0716@1.0250007 1 1 1 1 1 1171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1813 1 1 1 1 1 1 1 1 1 1 1 1 170.0716 *170.0921* 170.0921@3.6459653 1 1 1 1 1 1 1 1 1 1 1 1198 1 1 1 1 1984 1054 1 1 1662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2225 1967 1 1 1 1 1 1 1 1 1 1 1535 1356 1 1 1 1 1462 1021 170.0921 *170.0925* 170.0925@1.2299868 1 1 1 1 1 1 1 1 1 1547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0925 *170.0926* 170.0926@3.4599357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4547 3049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2218 1 1 1 1 1 1 1 1 1604 1990 1 1 1 1 1 1 1 1 1 1 1 1047 1 1 1132 1 2951 3847 170.0926 *170.0959* C9 H14 O3 6381 6654 8358 7262 6691 7833 7023 6555 6909 8991 6875 8498 8444 7181 8889 7062 8974 7022 8610 8859 8869 6547 1 8533 8134 7251 6483 6285 6761 6842 6389 8770 6884 6871 8552 6346 6707 6611 6470 7621 6868 6645 7167 8927 6236 7934 8875 8471 1068 9537 5781 7918 8096 8360 7193 7836 6342 5970 7935 6674 6090 8168 8545 8380 6948 7089 8370 1 8583 6702 8307 7651 6229 8215 5876 8249 7709 7929 7069 6762 7657 5933 6878 8764 7584 6328 8300 7645 7799 6542 170.0959 *170.096* 170.096@5.7640877 1 1 1 1 1 1 1 1 1 1 1 1 1129 1 1280 1 1094 1 1 1295 1 1 1 1 1021 1 1318 1 1 1 1 1133 1 1 1 1 1 1476 1 1 1 1108 1 1 1 1 1 1 1 1 1 1 1136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.096 *170.0973* 170.0973@3.5567353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1071 1 1 1642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1157 1 1 1 1 1 1 1 1 1 1 1 1 1261 1 1 1 1 1 1 1 1 1 170.0973 *170.0991* 170.0991@4.7963877 1 1 1 1 1757 1 1 1 1 1 1 1 1 1 1352 1693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1545 1 1 1 1 1 1 1 1 1 1 170.0991 *170.1005* 170.1005@1.2179797 1 1 1 1 1 1 1 1 1436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1005 *170.1008* 170.1008@3.5620978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1008 *170.1032* 170.1032@3.766407 1 1 1 1 1 1596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1421 1286 1 1 1 1 1 1 1 1 1 1 1244 1 1 1 1 1 1 1 1338 1341 1 1 1 1 1 1 1 1 1 1 1 1 1318 1695 1 1 1 1 1 1370 1 1 1 1 1 1 1142 1 1 1 1 1 1 1 1 1 1446 1527 1 1 1 1 170.1032 *170.1104* 170.1104@3.7707105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1104 *170.1176* 170.1176@3.7609243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1176 *170.1198* 170.1198@4.8179693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1198 *170.1256* 170.1256@5.551992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1256 *170.1277* 170.1277@9.112644 1 1 1 1624 1 1237 1 1 1 1 1 1 1 1506 1691 1 1 1282 1 1 1 1 1 1072 1 1 1 1328 1 1 1 1420 1 1 1 1832 1 1 1 1 1532 1 1 2000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1277 *170.1281* 170.1281@4.824965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1281 *170.1289* 170.1289@13.560414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1289 *170.1306* 170.1306@13.51019 1 1 1 1 1 1 1 1 1939 1 1 1 1 1 1 1 1 1 1 1 1 2441 1183 1 1 1528 1 1 1818 1 1 17768 1 1725 1 1 2657 1 1 1 1 1825 1 1 1 1 1 1 1 1 1 1 1 1 16815 1 1898 1 1 1 1 1 1 1 1 1 1621 1688 1 1 1 1 1 1 1 1 1 1 1 1 1555 16069 1 1 1 1 1 1 1 1 170.1306 *170.1309* 2-decylenic acid 19525 19851 18640 18938 18790 19581 18924 19463 18220 19653 19441 18739 20111 18961 18660 19867 19425 17741 17961 19112 18062 17832 17265 19798 17635 19546 17057 18318 17436 19147 18940 1594 17242 17281 19870 16969 17776 17021 18413 17592 18039 18112 17267 18483 19046 18566 17764 18667 19139 17262 18131 19552 20078 19408 1244 16506 17574 19852 18753 17711 16998 18514 16652 18074 17884 19048 16325 16520 18106 17333 18187 17608 19009 17802 19053 18233 17968 17126 19117 17370 17358 2216 18198 18513 17833 16438 17861 17199 18437 17160 170.1309 *170.136* 170.136@6.455408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.136 *170.1398* 170.1398@2.1951435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2070 1 1 2496 1 1 1 1 1 1 1 1 1 1 1 1 1307 1 1 1 1 1 1 1 1 3280 1 1 4893 2544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4093 6681 1 1 1 1 1 1 1 1 2238 1 170.1398 *170.1402* 170.1402@6.44821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1243 1 1 1 1 1319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1402 *170.1408* 170.1408@2.22328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1654 1 1 1 1 1 1 1 1 1 1 1 1 1976 1 1 1 1 1 1 1 1 1 1 1 1 6124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2466 1 1 1 1 1 1 1 1 1 1 1 170.1408 *170.1413* C9 H18 N2 O 7671 8088 15783 15543 8769 7595 9921 10075 6664 5764 11513 10147 1134 4907 9353 8223 8037 8171 9241 9200 8845 9356 7039 8030 37622 35127 9057 8951 9838 10191 10343 10005 7561 7616 7864 7911 18706 18206 8888 8697 7137 5241 9322 9725 9595 8754 10819 10714 7625 7242 7164 7953 7872 8793 7208 7558 6510 7541 12137 13129 8992 9069 10087 8953 9388 8684 8280 7302 9789 10218 11911 12130 6924 6570 7231 7055 6809 7098 14418 13080 7299 6838 6607 6112 6231 6343 6879 8400 7117 7407 170.1413 *170.1417* 170.1417@0.69600934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1417 *171.0203* 171.0203@0.77739114 1 1 1 1 1 1 1 1040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1076 1 1 1 1 1 1 1 1 1 1 1054 1185 1 1 1178 1 1 1 1 1 1 1 1 1127 1 1 1 1 1213 1 1 1 1 1 1 1 1 1 1 1114 1 1 1 1 1 1 1 1073 1 1 1 1007 1 1 1 1 1 1 1019 1 1062 1027 1 1 1 1 171.0203 *171.0349* 171.0349@1.2582579 1 1 1 1021 1432 1230 1159 1 1 1 1 1041 1 1 1 1 1 1542 1 1 1024 1275 1 1 1 1036 1 1 1 1 1369 1280 1052 1 1 1110 1 1 1 1 1 1 1 1018 1085 1 1045 1 1 1812 1052 1 1 1 1 1 1264 1423 1305 1 1 1 1716 1315 1565 1556 1579 1 1246 1 1232 1 1017 1295 1167 1 1 1 1 1 1423 1421 1 1 1 1 1653 1054 1505 1696 171.0349 *171.0533* 171.0533@1.223525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.0533 *171.0621* 171.0621@1.2200047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1548 1225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.0621 *171.0647* 171.0647@1.2200489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 1 1 1 1 1 1 1017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.0647 *171.0663* 171.0663@0.99653465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3623 3275 1 1 1 1 1 1 1 1 1 1 171.0663 *171.067* 171.067@3.7926645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1424 1971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.067 *171.0827* 171.0827@1.2430325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1890 1 1 1 1 1 1 1148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.0827 *171.0897* 171.0897@1.2461555 1 1 7165 7006 1 1 2398 1 1 1 1 1 1 1 1 7332 1 1 1 1 3740 3694 2014 1 1 4405 1 1 1 2991 1 1 1 8335 2998 3231 1 1 1 1 1 1 1 6005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2495 1 1 1 1 1 1 1 1 1 1 7377 8170 1 1 1 1 1 2656 1 1 1 1 1 1 1915 1826 171.0897 *171.0912* 171.0912@1.2461783 2785 1 1 1 3089 3375 1 1 2319 2249 4300 1 4716 4042 7767 1 2481 2174 2488 2215 1 1 1 1950 4238 1 5391 5797 2672 1 3263 2971 7475 1 1 1 5657 5536 3131 3969 1 1 5364 1 2266 2865 1906 2355 2685 2504 2787 1 2604 2688 2218 2394 2618 1 2082 1518 5608 5591 3002 1 1 1 5691 5661 3988 3764 1 2293 1 1788 1 1 5339 5116 6814 6718 2621 1 3168 3310 1 2891 11029 10393 1 1 171.0912 *171.0978* 171.0978@3.3850403 1 1 1400 1 1 1 1 1 1759 1242 1 1 1473 1 1118 1 1 1 1 1 1 1 1 1 1 1 1 1474 1 1 1 1 1 1 1 1 1628 2108 1 1 1 1241 1 1 1 1 1 1 1 2623 1 1 1 1 1 1 1482 1 1 1 1 3427 1973 1 1804 1 1 1 1 1 1 1 1 2277 1 1 1 1 1 1 1 1 1 1 1 2994 1 1 1 1 171.0978 *171.0984* 171.0984@1.2459886 1 2381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.0984 *171.0994* 171.0994@3.3482423 1 1 1 1 1 1 1 2058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17699 1 1 1 1 1 2075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9118 1 1 1 1432 1419 1 1 1566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7953 1489 1 1 1 1 1 1 1 1 3301 1 1 1 1 1 1 1 12714 171.0994 *171.1086* 171.1086@1.2429973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.1086 *171.1102* 171.1102@2.0610943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3042 1 1 1 1 1 1 1 1 1 1 171.1102 *171.113* 171.113@1.2490305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.113 *171.1136* 171.1136@2.1951103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4499 6253 1 1 1 1 1 1 1 1 1 1 171.1136 *171.1177* 171.1177@1.2340403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1223 1 1 1 1 1 1 1 1 1 1 1 1 1 1905 1 1 1 1 1 1 1 1 1 1 171.1177 *171.1236* C9 H17 N O2 1951 2954 3154 1 1 1 1 1 1 1 2495 2399 1 1 1 1 2700 1 2962 3683 1 1 2780 1190 2520 4475 1 2679 1 1 3754 1 13782 10117 4229 5047 4461 1 5277 1 3815 3956 5882 1 11360 1 1 1110 4126 4059 1 2141 6748 3467 2414 4003 2295 1967 1 1270 4790 1 3237 5701 1 1 1631 1 1 1 1 2074 2093 1 1 1 4245 1680 1 1 1 1 2414 3674 1 1 3599 1 1730 2540 171.1236 *171.1243* 171.1243@4.571645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1603 1420 1253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.1243 *171.1254* 171.1254@5.1485963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1129 1 1 5631 8383 1 1 1 1 3368 1 1 1739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1917 2725 1 1274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2284 1 171.1254 *171.1407* 171.1407@6.044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.1407 *171.162* (R)-(+)-Citronellal 2194 1869 1677 1542 1495 1258 2104 2060 1 1643 2287 1862 2077 2095 2247 1 2111 1904 1670 1590 2901 3054 2525 2900 3155 3269 1847 2218 2742 2364 1729 1614 2375 2259 2953 2612 2290 2122 1940 2026 1696 1608 2286 1974 1860 1947 2358 2095 1946 1675 3841 4018 3610 3827 2647 3162 2509 2565 3774 2690 2447 2335 2944 2925 2518 2695 3012 2566 3173 3361 2513 2335 2739 2085 1778 1820 2512 2164 2829 2983 3059 3237 2695 2943 3296 3312 2977 2882 2883 2988 C09848 171.162 *171.9725* C10 H Cl O 11248 11400 12067 11068 12244 11693 11744 11656 12299 12319 12320 1 11756 13006 11540 12158 11758 12138 11937 12350 11649 12029 11365 9940 11554 11417 11106 11830 11545 10979 11046 1 11088 10950 10760 11979 11200 11775 11565 7733 12081 10424 10458 12151 12474 11877 11792 11907 6247 11946 12225 12266 12010 11287 11705 7483 6321 12107 11018 8609 12068 1 10753 1 10495 9997 10830 10765 11894 1 11227 11202 11767 11740 10649 9349 11284 11394 11491 11439 9702 1 11310 1 9606 11346 11428 10235 12752 10825 171.9725 *171.9726* 171.9726@0.8707218 1 1 1 1 1 1 1 1 1 1 1 2150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3756 1 1 1 1 1 1 1 1 4812 1 1 1 1 1 1 4324 1702 1 1 3113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.9726 *172.0339* 172.0339@0.9195214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2377 2147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0339 *172.0366* 172.0366@1.2542357 10547 9244 1 1 1 1 1 1 20692 20250 12394 12762 20605 20303 1 1 1 1 30762 21093 1 1 1 1 1 1 1 1 1 1 1 1 35681 1 1 1 1 1 15854 1 16522 19347 1 1 28822 1 9832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0366 *172.0375* 2-Heptenedioic acid, 4-oxo- 1 1 2641 1762 1 1765 1 2923 1553 2129 3146 3581 1 1 1 1 2624 1 4761 4091 1 1593 1 2242 1 1 1 2170 1 1 1 2383 2875 2563 1 2607 5300 5925 3169 1 3255 3743 4028 3796 4691 4828 3587 4537 5176 5304 3794 3213 6307 5211 1 1 2569 1 4037 5760 3953 5016 4728 5111 2818 3345 1 1 4310 3686 3008 3684 2479 3101 2085 2763 1 3185 2177 4009 3979 4208 1 3680 4557 4945 2689 3190 4127 5205 172.0375 *172.0395* 172.0395@1.2793571 1 1 1 1 1 1 10869 10072 1 2310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3225 4521 1 1 1 1 9261 1 1 1 1 1 1 1 1 1 10745 9365 1 1 1 9485 9062 8273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0395 *172.0442* 172.0442@1.2930081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0442 *172.0444* 172.0444@1.378009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0444 *172.0453* 172.0453@0.91625917 1163 2981 1 1 1823 1 1 1 1 1 1 1 3356 1 1 2659 1 2185 1 1 2137 1 1 1 1 1 1 1 1608 1 1 1 1 1 2934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2205 2398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0453 *172.0463* 172.0463@1.3209805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0463 *172.0582* 172.0582@1.3748053 1 1963 1 1 1 1 1 1 1 1075 1892 1185 1 1 1 1 1 4065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0582 *172.0621* 172.0621@1.3159834 1 2084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0621 *172.0625* 172.0625@1.2909642 1 1767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0625 *172.0709* 172.0709@2.788115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1958 5591 172.0709 *172.0709* 172.0709@11.571166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0709 *172.071* C4 H8 N6 O2 + 0.79939455 1615 2043 1 1713 1644 1646 1774 1645 2013 1585 2107 1870 1923 1776 1855 1918 1 1556 1637 1675 1589 1531 1933 1658 1 1 1468 1855 1714 1684 1669 1585 1769 1939 1725 1 1666 1517 1689 1555 1525 1718 1555 1583 1653 1162 1 1242 1 1238 1440 1 1369 1 1801 1228 1 1 1125 1 1 1222 1039 1415 1 1 1179 1 1 1068 1 1 1043 1 1 1 1170 1310 1038 1 1206 1 1 1 1 1136 1191 1231 1 1 172.071 *172.071* 172.071@3.166095 1 43014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16927 1 1 1 21963 1 1 1 1 1 1 1 1 1 19398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11455 1 1 1 11814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4468 3935 172.071 *172.071* 172.071@1.0140042 1 1 1 1 1 1 1 1 2408 1881 1 1 1 1 1 1 1 1 1 1 1 5966 1 1 1 1 3480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4139 2441 1 1 1 1 1107 1 1 1 1 1 1 1 2725 1 1 1 1 1 1 1 1 1 1 1 1 1 1549 1 1 1 1 1 1 1 1 1 1 1 2917 1 1 1 1 1073 1 1 1 172.071 *172.0711* C4 H8 N6 O2 40257 47402 2979 1 1 14182 1 1 8643 1 1 22860 1 3248 1 24088 1 3479 1 1 1 11129 1 1 1 1 1 14775 1 1 2579 8150 1 10093 1 1 23026 16913 7230 6726 10958 1 6044 3205 20329 20982 2660 1 11798 20115 5276 3412 6499 1 1 1 1 4650 2179 21992 11499 8800 7128 7598 16016 1 1 1 14594 12324 13901 1 13480 16343 1 1 1 1 1 3729 5825 1 5892 1 1 1 1 12967 21938 27977 172.0711 *172.0712* 172.0712@14.084742 1 1 1 1 1 1 1 1 1 1 1 1770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0712 *172.0713* 172.0713@2.2035546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4563 1 1 1 1 1 172.0713 *172.0713* 172.0713@14.525441 1 1 1 1 1 1 1 1 1 1 1 1079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0713 *172.0714* 172.0714@3.0282252 1 8524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6854 1 1 1 20813 1 1 1 1 1 1 1 35037 1 1 1 7408 3052 3824 17452 1 1 1 1 1 12583 1 1 1 1 1 1 1 27463 1 3743 1 1 1 1 1 19308 1 1 1 1 24160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8497 6101 172.0714 *172.0714* 172.0714@9.106316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0714 *172.0716* 172.0716@2.6681056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2446 2549 172.0716 *172.0717* 172.0717@2.2790723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2241 1 1 1 1 1 172.0717 *172.0718* 172.0718@14.082221 1 1 1 1 5980 4226 1 3039 1 1 1 2077 1 1 7366 1 1 1 1 1 1 1 1 1 1 1 4956 1 1 1 1 6209 1 1 1 1 1 8816 1 1 3798 1 1 1 1 1 1 1 4877 1 4053 1 1333 1 1 1 1 1 1 1 3957 1 1 4589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2717 1 1 1 1 1 4879 1825 172.0718 *172.0718* 172.0718@5.5601034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0718 *172.0719* 172.0719@2.325075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1916 1 1 1 1 1 172.0719 *172.0722* 172.0722@1.1737314 1 1 1 1 1 1 1 1 1 1 1 2141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1902 1 1 1 1 1 1 1 1 1 2632 4019 1 1 1 1 3626 1 1 3349 1 1594 1 1 1 1 1 1 1 1 2536 3854 1 2734 1 1 1 1 1 1 1 1 1 1 1 1 1 1815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0722 *172.0722* 172.0722@6.062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0722 *172.0732* 172.0732@7.8235087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13543 13243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0732 *172.0764* 172.0764@4.66889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4581 4869 1 1 1 1 1 1 1 1 1 1 1 1 172.0764 *172.0765* 172.0765@3.2820897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0765 *173.0464* 173.0464@4.2162876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2143 173.0464 *173.0467* 173.0467@3.7322087 1 1 1 1 1721 1946 1 1 1 1 1 1 1 2455 1 1 5359 1 1 1 1 1 1 1 1 1 1 1 1537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5015 1 1 1 1 1 1 1 1 1 1 1741 1 1 1 1 1 1 1 1 1 1 1 1 173.0467 *173.0746* 173.0746@0.9465324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1403 1249 1 1 1 1 1 1 1 1 1 1 173.0746 *173.0792* 173.0792@3.1151435 1 1 1 1 1 1 1 1 2911 1 1 2152 1 1 1 1 1 1 1 1 1 1 1 1 1 3310 1 1 1 1 1 1 1119 1 1 1 1 2357 3239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.0792 *173.0822* 173.0822@1.1800814 1 1060 1 1 1 1 1189 2162 1 1 1400 1467 1 1 1 1 1665 1030 1238 1010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.0822 *173.085* 173.085@5.1292086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1760 1746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.085 *173.0879* 173.0879@1.1950346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1379 1 1 1 173.0879 *173.0943* 173.0943@1.2264984 1 1 1 1 1 1 1 1 1 1 1038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.0943 *173.0969* 173.0969@1.2365208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1342 1 1 173.0969 *173.102* 173.102@1.1345721 1238 1 1 1 2181 2072 2418 1602 1 1 2245 1 1 1 1203 1 1313 1772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1891 1 1 1 1 1 1 1 1 1886 1742 1140 1049 3803 1 1 1 1128 1 1 1 1 1 1 1 1 1 1 1 1 1 2082 1555 1 1219 1 1 1 1 1 1 1 1 1 1687 1164 1 1 1 1 1 1 1 1 1 173.102 *173.1038* 173.1038@4.92045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 1 1 1 1 1 1 1 1 1 1 1 173.1038 *173.1043* 173.1043@3.3807158 1 1 1 1 1 1 3271 3653 1 1 1 1831 1 1 1 1 1 1 1719 1 10474 10529 1 1 2255 2139 1 1 1 1 1 1 1 1 1 1 1222 1 1 1 1 1 1 1 1 1 1 1 1 1 5509 6435 1 1 1 1 1 1 1 1 1876 1277 1 1 1 1 2336 1010 1426 1476 1 1 1 1 1 1 1 3152 1 1 1 1 1 1 1 1 1 1 1 1 173.1043 *173.1054* 173.1054@1.1482667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1828 1 1 1 1 1 1 1 1 1 1312 1 1 3291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1417 1 1 1 1 1 173.1054 *173.1102* 173.1102@1.2440181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1636 1 1 1 1 1 1 1 1 1 1147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.1102 *173.1107* 173.1107@3.001106 1 1 1270 1 1062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3490 4851 1648 1297 1 1 1 1237 1 1 1 1 1 1 1 1 1 1 1 1 1144 1268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.1107 *173.1115* 173.1115@1.2420181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1227 1 1 1 1 1 1 1 1 1 1 1 173.1115 *173.1151* 173.1151@2.7883983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4041 1 1 6985 3531 3203 1 1 1643 1491 1606 1 1 1 1 1 1 17013 20409 1 1 1 1 1 3518 1 1 1 1 173.1151 *173.116* Indospicine 1 1 1 1186 1 1 1385 1410 1 1 2391 2291 1 1 1 1 1967 1950 1486 1652 4007 4168 1590 1564 2681 2148 1 1 1 1 10763 9898 1354 1 4185 4137 5817 4994 1 1 1 1 1 1 1 1 1 1 1 1 3748 4027 6902 8425 2712 2752 7794 7748 3574 3798 11568 12687 7048 7113 15324 16142 22383 23480 10428 11291 4244 4865 5776 6257 3824 3999 3205 2380 27007 26875 8624 9030 3923 3574 9769 9419 4801 5045 6301 5855 C08288 173.116 *173.116* 173.116@2.8843265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1268 1 1667 1 2126 1 1 1 1 1 1 1 1 5074 4087 1 1 1 1 1 1 1 1 1 1 173.116 *173.1346* 173.1346@1.2470032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1542 1 1322 1473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.1346 *173.1387* 173.1387@6.2387714 1 1 1 1178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.1387 *173.1389* 173.1389@3.101521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2273 1835 1 1 1 1 1576 1158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.1389 *173.141* 173.141@5.127278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4123 1521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13258 13441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9608 9006 11705 12423 1 1 1 1 4855 4465 1 1 1 1 1 1 1 2240 1 1 21142 23099 1 1 1 1 173.141 *173.1564* 173.1564@3.6000848 1 1 1 1 4273 4827 1147 1356 1 1 1 1 2585 2595 1 1 7868 8329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3631 3831 1 1 1 1 1 1 1 1 1 1 1 1 173.1564 *173.2005* 173.2005@3.595947 1 1 1 1 1031 1005 1 1 1 1 1 1 1 1 1 1 2261 2275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1303 1038 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 173.2005 *173.9307* 173.9307@0.82212937 1119 1 1103 1 1 1098 1018 1 1298 1 1134 1 1028 1 1 1 1 1279 1247 1189 1197 1 1335 1 1 1 1 1 1 1 1 1 1 1 1 1256 1 1047 1204 1 1 1420 1 1 1 1385 1 1253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1132 1 1003 1 1 1 1 1 1 1 1 1 1 1135 1156 1 1073 1 1 1 1 1 1 1 1 173.9307 *173.9981* 173.9981@1.5499963 1 1 1 1 1 2089 1 1 1 1 1 1 1 1 1733 1 1 1 1 1 1 1850 5520 4122 1 1 1 1 1 1 1 1 1350 1 1 1 1 2659 4180 2122 1 1988 1 1 1 1 1 1 1 4020 1 2443 1 1 2153 1 1 1 1 1 1 1 1 1 1 1 1 3831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2818 1 1 1 1 1 173.9981 *174.0026* C6 H7 Cl N2 S 2795 1 4609 1 1 1156 5450 1 3371 1 3262 3754 1 3789 1158 4726 4674 1623 2187 4844 3760 1 1 1 2674 4709 1 3001 1 1 3181 1 1 3428 4202 1693 2920 1 1 1 3870 1 1 1952 2463 3134 3793 4096 5306 1 2475 1407 3990 2515 1 2616 1432 3675 1 5505 1 2310 2337 3551 3694 5938 5843 1 2164 1 3416 1851 3867 4727 1592 2157 1 1 1 2519 4058 1 3995 1 1977 5463 1 1 1 2907 174.0026 *174.007* 174.007@1.4719908 1 1 1 1 1 1704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.007 *174.0099* 174.0099@1.3815279 1 1 1954 1 1 1 1 1 1 1 1 1975 1 2535 3764 1 2383 1 1 1 3854 1 1 1 1082 1 1 1 1 1612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2075 1 1 1 1 2178 1220 1 1 1 1 1715 1 1 1 1103 1 1 1 4520 1 1 1 3691 1 1 1 1 2157 1 1335 2074 1 1 1 1 1 1959 1 1 1 1 1 1 1 174.0099 *174.0108* 174.0108@1.2785894 1 2439 1 1 1 2156 2310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4187 1 1 1 1 1 1 1 2163 1 1 1 1 1 1 1 1 1 1 4220 1 1 1 1 1 1 5684 2027 2229 1 1 1 1 1 1 1 2956 3668 1 1 1 1 1 1 3244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0108 *174.016* 174.016@1.370519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.016 *174.0164* trans-Aconitate 13741 11658 17438 17269 13912 12280 10616 12520 15806 14708 19346 15873 17853 20864 13613 19497 13648 15488 17017 18344 16834 19317 10493 11116 17339 18863 21067 21983 10538 8133 14204 13372 16155 15058 16182 16314 13317 12444 18856 17427 13796 15194 20509 20491 12522 11971 14764 13710 9231 12180 18355 16894 18043 16344 10220 7264 15178 15071 12084 13732 15817 16022 12906 12890 10720 11252 9632 12027 10250 13200 11949 13391 17016 12717 21385 22146 18904 16779 12718 14967 8456 9343 21956 21354 16448 17341 20971 20961 11973 13332 C02341 174.0164 *174.028* 174.028@3.8131676 1 1 1348 1 1 1315 1325 1125 1 1002 1 1316 1 1 1 1 1 1575 1 1179 1 1 1 1 1 1 1 1 1 1 1 1 1403 1241 1 1 1 1 1 1 1 1 1 1 1 1596 1225 1584 1322 1441 1 1 1 1 1 1 1 1 1 1 1432 1168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1197 1 1 1 174.028 *174.0281* 174.0281@3.936714 1 1 1 1198 1173 1153 1251 1644 1 1531 1950 1039 1403 1428 1 1249 1235 1 1405 1 1 1 1 1 1 1 1241 1292 1 1 1 1 1494 1352 1 1 1 1 1 1 1 1454 1335 1508 1574 1 1963 1 1422 1698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1297 1 1 1 174.0281 *174.0375* 174.0375@3.7536507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0375 *174.0403* 174.0403@2.735881 8286 1 18249 15349 20211 16149 1 18866 20226 1 34523 32978 1 1 13578 1 13663 14296 1 26729 1 1 1 1 1 1 1 1 8944 1 7178 1 45196 1 1 1 1 1 1 30061 1 1 1 16274 1 1 1 1 40935 1 1 35835 1 26477 15059 1 37074 47183 1 6333 27119 1 1 39039 1 1 40636 40431 1 1 31369 36693 1 18025 25010 1 6339 1 1 17533 27129 1 1 1 29282 1 1 20121 1 1 174.0403 *174.0403* 174.0403@2.8240762 15031 3910 1 16691 1 9235 1 34670 1 1 1 1 1 34614 1 1 1 1 58222 1 1 19883 1 4930 31699 9654 91777 80780 1 1 15462 1 1 1 31008 1 11428 1 1 1 1 1 1 43565 1 1 1 1 1 1 11389 1 53680 54727 31464 1 10999 1 11448 1 1 1 1 1 1 1 1 1 28482 27580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0403 *174.0404* 174.0404@2.8875434 1 1 1 18263 1 36258 1 1 1 1 1 1 1 1364 28779 1 1 1 1 1 1 1 1 1 1 20270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21764 1 1 48637 1 1 1 1 1 1 1 12939 1 1 1253 10862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0404 *174.0527* 174.0527@0.9395144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3508 1 1036 1 1 174.0527 *174.0533* Shikimic acid 18808 19915 21614 24711 19667 15381 28367 28119 18844 19150 18019 18783 21113 21152 22836 21653 20454 20857 29063 28953 22244 23689 26876 26723 14430 16097 15082 14105 20406 19745 28408 24927 18613 19688 26129 25904 40579 41026 31776 30878 33607 36008 23322 22445 21385 23867 28815 31581 23590 22974 27630 26051 32146 31783 19507 19775 19767 19844 45915 44367 35575 32400 32485 32413 18540 19661 19249 14144 22224 19384 36081 35712 18241 18988 19771 17979 26169 27594 21085 27675 27152 28317 24766 24456 37271 34756 16766 15834 40699 44124 HMDB03070 C00493 174.0533 *174.0575* 174.0575@0.99651885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8096 1 1 1 1 1 1 1 1 1 1 1 174.0575 *174.0844* 174.0844@6.011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0844 *174.0882* 174.0882@3.9739068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1036 1 1 1 1 1 1 1 1 1 1955 2657 174.0882 *174.094* 174.094@1.0410367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3471 3799 1 1 1 1 1 1 1 1 1 1 174.094 *174.1014* 174.1014@1.1836613 1 1 1 1 1 1 1 1 1 1929 1 1 1 3326 7281 7265 1 1 4723 1 1 1 1 1 1 1 1 1956 1 1 1 1 1 1 1 1 4310 1 1949 1 1 1 1 1 2698 1 1 1 1 1 1 1 1 1 2174 1 1 1 1 1 2817 1 1 1 1 1 1 1 1 1 3266 1 1 1 1 1 2538 1 1 1 1 1 1 1 4654 1 1 1 1620 1 174.1014 *174.1039* 2,4,6,8,10-dodecapentaenal 2106 2363 1 3447 4659 3452 2046 2489 1 1823 1668 1 3270 3314 2722 3362 1 1469 1156 4711 1188 1431 1 1 2020 1305 1 3165 1670 1264 1807 1783 3046 1917 1 1 1 3295 2051 1 2668 2273 1733 1199 1695 2011 1540 1115 3486 2709 1 3631 3206 1356 1 2849 1883 3086 1 1 1085 1716 4049 3199 2139 3865 3094 1290 1410 3886 1363 2549 3096 1441 1126 2076 2364 2376 1 1 2310 2322 3579 2070 1978 1702 1291 2404 1 1 174.1039 *174.1045* 2,4,6,8,10-dodecapentaenal + 1.227618 3270 2463 2028 2482 3362 3971 2985 4354 2227 1 3013 2601 3641 1 1 1 2184 2174 1214 1 3251 2505 3885 2858 4212 2489 1500 1022 1412 1330 2405 1902 3797 1 4063 2626 3653 1945 1 3916 3604 2605 3366 2342 1 3543 2028 2334 2252 3125 4069 1 2091 2635 1685 3941 1823 1 3140 4329 1 2029 2602 2987 1490 2060 4211 1653 2898 1 2901 3373 2838 1859 4213 2593 1 3298 1 1 1701 1 5687 5597 1 3431 2427 1 3231 3141 174.1045 *174.1052* 174.1052@1.0976336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1352 1 1 1 1 1 1 1 1 1 1 1 1033 1 1 1519 1 1 1 1 1 1203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.1052 *174.1109* 174.1109@1.1880348 1605 1 1133 1 1 1 1446 1355 1268 1307 1 1412 1 1949 1 1 1183 1355 1862 1418 1 1 1 1 1 1 1 1826 1 1 1 2206 4238 3144 1 1 1 1 1 1 1 2960 1828 1487 2170 1 1 1 1 1 1 1 1210 1035 1 1 1384 4785 1 1 1 1 1 1007 1 1 1 1 1 1 1 1 1 1 1 1237 1474 1 1 1 1 2403 1 1 1 1 1 1195 1 1 174.1109 *174.1119* 174.1119@1.1383448 1 1521 1138 1 1 1 3061 3013 1 1639 2226 1443 1 1 1 1 2949 2884 1 2260 1 1 1 1 1 1 1 1 1 1 1 1 1 1274 1 1 1 1 1422 1373 2169 1 2383 2809 1 2887 1 1 1888 1385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1337 1 1 1 1 1 1 1 1 174.1119 *174.1121* Arginine 158211 159551 147362 146272 101421 99581 128522 126292 126276 128053 125298 125763 118590 120856 131303 133167 145746 146852 95514 123913 161140 163227 115248 117873 114434 114169 80362 78069 113530 114110 152139 153042 133807 134374 121681 124111 33320 98011 122582 122304 122531 121299 122430 121454 102018 102502 85460 88425 90046 88068 99622 98109 135115 135214 130847 134890 166839 160362 124372 124687 99869 99222 124481 121870 117556 114234 126275 127313 146819 148281 117010 107650 109678 107840 117085 114684 109367 108972 87850 88879 140502 141398 142147 142092 111649 108742 130310 131118 135391 138636 C00062 174.1121 *174.1139* 174.1139@0.8993345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.1139 *174.124* 174.124@4.6098785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1722 2042 174.124 *174.1245* 174.1245@4.5462494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1488 1552 174.1245 *174.2208* 174.2208@0.8739575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.2208 *175.0116* 175.0116@5.3846703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1358 1580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.0116 *175.0291* 175.0291@1.2346572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1072 1 1 1 1123 1249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1017 1160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.0291 *175.0343* C8 H5 N3 O2 2663 2352 2937 2645 3608 1 2134 2494 4143 3814 2412 2013 2601 2586 2984 2874 2843 2914 2447 3595 2767 2499 3133 3012 2855 2496 2679 2471 1961 2246 2504 2686 2265 2472 2907 3164 1627 1962 2997 2731 2347 2788 3165 2945 2950 3126 2635 2289 3285 1 3499 3272 4814 3029 1 2481 3050 3320 1 3070 3190 1 2627 2522 2840 2801 2101 1 2501 2735 3109 2022 2891 2894 3124 3070 2777 3340 1 2598 3513 2882 3080 3139 2244 2539 2527 2841 2469 1919 175.0343 *175.0366* 175.0366@1.2320145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.0366 *175.0394* 175.0394@0.95203173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2196 1 1 1 1 1 1 1 1 1 1 1 175.0394 *175.0433* 175.0433@2.8910065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.0433 *175.0439* 175.0439@2.7473426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1402 1 1 1 1 1 2609 1 1 1 1 1 1 1 1 175.0439 *175.0446* 175.0446@2.8160036 1 1 1 1 1 1 1 1 1381 1 3474 1 1 1 1 1 1262 1 1 1 1 1 1 1 1 1 4038 10392 1 1 1 1 1 3193 1 1 1 1 1 1791 1 1 1 1 1320 2606 1 1 6321 1 1 1 1 1 1 1 2463 1 1 1 1 1 1 1 1 8081 1 7276 1 1 4958 1579 1317 1 1 4264 1 1 1 1 1 4075 1 2235 1 4251 2544 2710 1 1 175.0446 *175.0487* 175.0487@1.2300463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60370 55380 1 1 1 1 1 1 1 1 1 1 175.0487 *175.0591* Guanidinosuccinic Acid 1629 4160 5926 4828 1 2715 6063 1 2464 4719 1 3038 2579 4381 6387 6053 1 1 3325 5031 2202 1750 5014 2870 1 1 1 2583 1124 1761 6977 1 2428 5350 1 3197 1743 1597 8814 3342 4955 4300 1 2008 1 2774 3374 1 1674 1 2689 1303 1252 1 1 1 1612 1 4405 2135 2798 1 3072 4992 4229 3920 5275 2624 1 1 1676 1 5950 3273 1 1 1 2675 1 1 1 1 5229 1 1 1 7886 7460 4066 1 HMDB03157 C03139 175.0591 *175.0591* 175.0591@2.294812 1 1 1 1 1 2429 1 1 2883 1 1 4109 2453 3522 1 1 1 1 1 1 1 1530 1 2434 1 5548 4701 3569 1 1 1 1 2329 2383 1 2223 3703 3956 1843 1 2802 1 1 1 1 2688 1 1 1 1 2336 1712 1 1 3580 3539 2121 5157 1 2004 1 1 2463 1 1 1 1 1132 1 1 2780 1 1 1 2033 1390 1 1 1557 3282 4032 1 1 2284 1 1 1 1 1 1 175.0591 *175.0613* 175.0613@2.2189465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.0613 *175.0629* 175.0629@5.983928 1 1 1 1 1 1 2343 1995 1 1 1773 1668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1211 1197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1251 1 1 1 1 1 1 175.0629 *175.0857* 175.0857@1.0430145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1546 1 1154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.0857 *175.0896* 175.0896@1.0904207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1034 1 1 1 1 1 1 1 1 1075 1 1 1 1 1 1 1 1 1 1 1 1726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7326 6110 1 1 1 1 1 1 1 1 1 1 175.0896 *175.093* 175.093@1.0459317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1111 1 1 1 1 1083 1 1 1 1216 1 1 1 1 1 1 1 1 1 1237 1 1 1 1 1 1 1 1 1 1 1 1004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1460 1788 1 1 1 1 1215 1 1704 1295 1 1 1 1 1132 1 1 1 1 1 175.093 *175.0981* N-Acetyltranylcypromine 1552 1 1874 1 1 1 2288 1 5158 4369 1824 1 1473 1 1522 1 2550 2390 1 1 1277 1400 1 1 1176 1092 1992 3611 1 1 31919 1074 1 2328 1359 3831 1 1 1987 2007 3098 5433 28002 1 1 1 1131 1042 1143 1 1 1 1 1305 1 1122 1200 1020 1 1413 1237 1535 1670 1 1 1 1509 1 1069 1046 2027 1884 1123 1 1 1187 1258 1 1 1 1 1519 1064 1 1232 1420 1 1356 1 2461 175.0981 *175.0999* 175.0999@5.1287084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1566 1946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.0999 *175.1031* 175.1031@1.1205834 1 1 1 2919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4794 4337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7943 5171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.1031 *175.1072* 175.1072@1.0976568 1 1 1 1 1737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1921 1 175.1072 *175.1092* 175.1092@3.2840161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1395 1485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.1092 *175.1125* 175.1125@1.2189847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.1125 *175.1154* 175.1154@1.2194958 1 1 1 1 1468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.1154 *175.1157* 175.1157@1.1155081 1 7262 1 1 1 1 1 1159 1 1 1 9583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1494 1 1 1577 1759 1 1 1 1 1 1 1411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.1157 *175.1199* C8 H17 N O3 4480 1 1095 1 7290 6325 9257 11158 1 1236 6497 1 1995 1 4531 5506 1 8344 1 1 4535 6706 6629 6263 1332 1461 3179 3392 5453 5405 9267 9908 1 1 1048 1079 10992 12877 9093 10128 1334 1 1 1 7315 7783 9650 9438 10135 10372 1769 1857 2391 2227 1668 1 1 1396 1 1 10517 9941 1883 1823 2902 2449 1 1 2451 2062 2239 1851 1 1875 4881 5846 1519 1827 1 1 11983 12053 1672 1 2067 1483 1 4143 1 1 175.1199 *176.0118* 176.0118@1.1717745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1290 1250 1 1 1 1 1 1 1665 1086 1 1 1 1 1 1 1 1 1 1 1 1 176.0118 *176.0313* 176.0313@1.1945091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1265 1 1 1 1 1 1 1 1 1 1 1 1 1 10558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0313 *176.0322* 176.0322@1.1273508 27696 30129 4507 5292 5385 5970 183475 184312 81866 81929 82085 83294 53617 51187 1 1 149550 150072 130145 134162 1987 2592 1 1 1 1 76529 79787 1 1 1 1 132556 131521 1 1 1 1 71211 71280 73876 82605 147476 157116 126895 128977 47050 50671 39262 36634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0322 *176.0475* 10-hydroxy-8E-Decene-2,4,6-triynoic acid 12504 11542 8211 8891 8176 7285 12667 11607 9053 8833 10956 10587 11671 11301 9846 9281 10304 9439 8743 8830 13126 13367 12235 12912 12714 13250 8859 9595 12437 11011 9211 8677 11533 11561 11673 12664 10780 10774 10123 10219 9535 9663 10688 9924 8784 8078 9601 9782 7692 8385 14780 13974 11987 12162 11343 12721 11227 11670 10901 11150 9977 11290 11472 9471 9715 9718 9921 10056 11612 11362 7790 7387 8340 8916 8618 8935 9276 10057 9805 9273 10856 4157 9783 9684 12299 11403 11254 10457 9703 8882 176.0475 *176.0478* 176.0478@8.9900055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7812 1 1 1 1 1 1 1 1 176.0478 *176.052* 176.052@0.8214486 3543 3527 5320 5516 5615 5375 4773 5418 4582 4664 5727 6077 5027 4808 3910 4085 4609 3198 3965 3425 5315 4243 3578 4451 3739 3065 3841 4505 4426 4852 5166 4810 3807 3378 4387 3935 3449 3646 4095 2940 3629 3321 4428 5540 2960 3852 4060 3989 2263 4447 3578 3451 4829 4188 3316 3411 3914 4656 1919 3194 3617 3732 3578 1872 4703 4503 4251 3997 5980 6142 4100 4135 4713 3213 3171 3457 4060 4393 4071 3330 3228 3671 3642 2719 3271 3269 6239 5928 2601 2654 176.052 *176.0944* 176.0944@1.3156561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1333 4030 1086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0944 *176.0958* 176.0958@3.080358 1 1 1 1 1 1 1 1 1 1 1 1160 1 1 1859 1772 1 1 1 1 1150 1 1 1 1 1 1 1 1 1 1 1 2587112 2610732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392506 385021 1 1 197961 200514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0958 *176.0963* 176.0963@3.82199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0963 *176.0969* 176.0969@3.3738854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0969 *176.098* 176.098@3.3555238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7831 1 3116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2783 1 1 1 3049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.098 *176.0988* 176.0988@4.2368293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0988 *176.1019* 176.1019@4.5294895 1998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.1019 *176.1036* 176.1036@3.337173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.1036 *176.1041* 176.1041@3.5032134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9770 1 2132 1 1 1 1 1 2981 1 1 1 1947 1 1 1 1 1 1 1 2159 1 6353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.1041 *176.1041* 6,8-dihydroxy-octanoic acid + 4.223625 1766 1379 1845 1748 1 1572 1402 1 1638 1831 1292 1318 2285 1912 1450 1603 1115 2025 1339 1243 1043 1444 1455 1086 1643 1164 1 1748 2059 1601 1 1524 5090 1 1 2000 1317 2038 1511 1405 2041 2001 1243 1810 1 1 1 1 1 1 1 1 1 1465 1 1 1591 1806 1 1599 1493 3117 1 1 1 1 1 2122 1468 1874 1 1 1376 1 1 1 1 1 1709 1658 1 1759 1 1 1444 1396 1 2030 1 1680 176.1041 *176.1044* 6,8-dihydroxy-octanoic acid 12078 1 1 1 12219 2513 12836 1 12418 1 1 10017 12245 1 13201 1 4675 12130 1 1 4124 1 6035 1 14466 12986 1 1 9490 1 1 6283 17165 13493 1 1 1853 1 1 1 1 1 12158 2982 3728 2075 1 1 1764 4255 1 3425 1 8774 2234 1 2777 1 1926 1 1 9155 5703 1 1 2469 1 1 1 6077 1 1 1 3108 4001 1 2820 1981 1699 1818 1 8166 1 1 7720 9597 1 5980 5174 8735 176.1044 *176.1044* 176.1044@5.514435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6875 5413 1 1 1 1 1 1 1 1 1 1 176.1044 *176.1059* 176.1059@6.008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.1059 *176.114* 176.114@6.1465154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.114 *176.1173* 176.1173@6.1391673 1 1 1244 1137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2807 2075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.1173 *176.1297* 176.1297@0.89703023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1759 1808 1 1 1 1 1 1 1 1 1 1 176.1297 *176.145* 176.145@1.1299853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.145 *176.2074* 176.2074@3.065609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7512 7960 1 1 2118 2950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.2074 *176.9255* 176.9255@3.0790074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.9255 *177.0293* 177.0293@5.26466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1166 1299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.0293 *177.0501* 177.0501@0.8876589 1 1 1 1 1 1 1 1 1 1 1 1 1 1436 1 1 1 1 2204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.0501 *177.0525* C3 H8 Cl N7 1 3597 1 1 4396 4319 4297 4163 3937 1087 1 1 1 2099 2645 2512 1 5472 1653 1 3501 3403 1 1695 1 5141 3159 1 2737 1 1 1 1 1 1 1 2788 3477 1 1 1 3625 3381 3644 3987 2968 1 3406 1 2219 2932 2757 1 1 3824 1434 1 1 5844 3416 1 1 4289 1 2728 3150 2395 1 2946 1 1 1511 5106 1 4400 1 2727 1 1 1 2794 1 1 1 1 2390 1 1 3680 1585 177.0525 *177.0704* 177.0704@1.2540193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.0704 *177.0761* 177.0761@4.6854625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1551 1 1 1 1 1 1 1 1 1 1 1 1 7293 6787 1 1 1 1 6521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3639 1 1 1 1 1 1 177.0761 *177.0767* 177.0767@4.6591406 1 1 1 1 1 1 9018 1 1 1 14547 1 1450 1618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4078 2416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4025 4025 1 1 1448 1360 1 1 1 1 1 1 1 1 1 1 1 1 1 6429 6585 7811 1 1 1 6743 1 1 1 1 1 1 1 1 1 1 1 1 3712 3114 1 1 177.0767 *177.0788* 177.0788@4.0600476 1 1 1 1 1 1 1 1 1 1 1 1693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.0788 *177.0791* C3 H11 N7 S 1 1 1 4135 3068 3372 1 4805 5287 5297 3570 1 1 3841 1 1 4788 5100 6094 5692 1 1 3070 1 1 2141 5459 5694 1 1 5181 6046 3268 1 1 1 1 1183 3240 1 4007 3289 4079 4001 4791 5646 3638 4389 1 1 11585 6647 1 1 1 2558 4025 5263 1 1 2577 3017 1 1 1 1 1 3234 5799 4633 1 1 1 4872 4094 4413 1847 1863 4029 8755 1 1150 1 1 7039 5893 2657 8747 1 1 177.0791 *177.0797* 177.0797@1.2118506 2776 2325 3088 1 1 1 4289 1 1 1 1 2953 3694 1 2188 1 1 1 1 1 3550 3878 1 2273 2223 1 1 1 1460 1332 1 1 1 3768 7505 7852 3646 2520 1 3077 1 1 1 1 1 1 1 1 1667 1 1 1 4968 4445 2494 1 1084 1 1 1202 1090 1 4522 4307 2141 3105 3029 1 1 1 3175 3324 5208 1 1 1 1 1 1 1 1530 1 1679 1 1 1 6759 1 3007 3150 177.0797 *177.0803* 177.0803@3.7448363 1 1 1 1 1 1 1730 1405 1 1 1 3781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1219 1 1 1 1 1 1 177.0803 *177.083* C4 H11 N5 O3 1245 1405 2433 2023 2791 3528 1166 1506 1 1 1304 1450 1738 1 1 1 4087 4700 1 1 1946 2309 1077 1 1 1 1113 1252 1 1133 1 1 1 6264 1 1 1 1 1 1 1 1 1 1 1977 2210 1491 1277 2354 1924 1548 1617 1730 1731 1 1 1537 1959 1 1 1 1 1991 1982 2535 2142 1 1 1 1 2499 1841 1 1 3379 4176 1 1678 1 1 3433 3614 1237 1066 1 1 2047 1 4879 3941 177.083 *177.0855* 177.0855@3.7077215 1 1 1270 1766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1042 1221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1543 1 1 1 1 1 1 1733 1 1 1 1 1 1 1 1 1 1 1 1 177.0855 *177.0955* 177.0955@0.9024917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1569 1666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.0955 *177.0982* 177.0982@3.2649498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1162 1304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.0982 *177.0987* 177.0987@3.3410087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.0987 *177.1241* 177.1241@3.921226 1 1 1 1 1 1 1 1 2016 1790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1428 1340 1 1 1 1 1 1 1 1 1 1 1 1 1727 1538 2714 2404 1 1 1 1 1 1 1 1 177.1241 *177.2098* 177.2098@3.081455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7044 7523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.2098 *177.9981* 177.9981@0.96197605 1 1 1 1 1899 1995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.9981 *178.0643* 8S-hydroxy-2-Decene-4,6-diynoic acid 1 3524 1 4119 1 2219 2046 3705 2017 3573 3653 3853 4342 1487 2063 1 1 1760 1590 4056 1896 4048 3380 1 1 3458 1 1617 3291 3164 1455 1 3351 3060 1593 1 1 1 1 3180 2306 4028 1752 1 3759 1682 2234 1 1 2955 3499 2897 3583 1339 1 3088 1226 3029 1 3490 2055 1377 1146 3214 1766 1334 1 1783 2054 1327 3321 3141 1 1 1 1 3539 1720 2045 3505 1 1 3500 3554 3222 3385 3368 3325 3381 1865 178.0643 *178.0647* C3 H10 N6 O S 3865 1 4113 1 2101 1206 1 1 1556 1 1 1 1 2455 1414 3390 2515 1829 1819 1 1655 1 1 3372 3443 1 3793 1543 1 1 2039 3157 1 1 1950 3409 3662 3337 1 1 1 1 1931 3893 1 1819 1046 1951 3014 1 1 1 1 2112 1339 1 1327 1 1479 1 1 1 1703 1 1055 1703 2418 1385 1104 2153 1 1 3168 3367 3700 3589 1 1 1462 1 3397 3292 1 1 1 1 1 1 1 1 178.0647 *178.0718* 178.0718@3.0463088 1 1 1 1 1 1508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.0718 *178.0739* 178.0739@1.2254925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6416 3246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.0739 *178.0777* Anthracene 1 1 1 1 1 1 2871 2708 1 1 1 1 1 1 1 1 11622 12457 13429 15021 1 1 2022 1931 1 1 1 1 1 1 1 1 1 1 1490 1833 1 1 1853 1605 7529 6936 1 1 3238 3643 1 1 2265 2085 11338 12280 1 1 1 1 1 1 1007 1269 1960 1821 1554 1742 1548 1290 5166 7037 1890 2274 11087 10542 1732 1792 1 1 1 1 1 1 1 1 13813 11759 11673 1 1 10930 1 1 178.0777 *178.083* C7 H14 O5 2437 2560 2025 1861 1 1326 2274 2131 2056 1923 2124 1879 1777 1731 2209 2138 2622 2438 2060 2093 2014 2099 1932 1773 1961 1908 1241 1250 1708 1862 1911 2467 2624 2170 2009 2153 2157 2122 1593 1711 1994 2008 2002 1809 1552 1650 1960 2120 1986 1839 2000 1849 2376 2993 2241 2184 2525 2176 1915 2162 2203 2295 2685 2791 1633 1647 1817 1970 2291 2511 1258 1311 1849 2161 1476 1382 1603 1748 1574 1443 1848 2098 2308 2446 1844 1750 2283 2069 2083 1996 178.083 *178.1* 178.1@6.308465 1 1 2267 2443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2140 2070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.1 *178.101* 178.101@6.199594 1 1 1 1031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.101 *178.1095* 178.1095@4.7752295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1297 1 1 1 1 1 1 1 1 1 1 1 1 1 1108 1 1108 1034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.1095 *178.1191* 178.1191@1.0949695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.1191 *178.12* C9 H14 N4 3481 3241 2627 2292 2378 2981 3276 3222 1 3193 2853 2643 2718 4088 3611 3501 3081 3591 2386 2644 2795 2961 2952 2274 2881 2783 2635 2859 2776 4449 1730 1636 3377 2521 1 3400 2575 2471 3304 2252 1719 2339 1915 2632 2385 2130 1839 2034 2300 2380 1989 2165 2172 1962 2475 2061 1966 1800 2472 2226 2162 2505 1958 1807 2236 2493 2238 2167 2052 2394 1828 1611 1719 2403 2020 2003 2100 1768 1928 2244 1619 1692 2028 2137 2011 2109 2162 2421 1522 1860 178.12 *178.1206* 178.1206@1.0661373 1 1 1 1 1 1 4736 1 1 1 1349 6185 1 1 1 1 1 2157 3926 1 1 1 1 1 1 1 1 1 1 1 1 1 5420 6712 1 1 1 3067 1 1 1 1 1 1 1 1 6819 7092 8733 9322 1 1 4843 1 1 1 1 1 1 1 8254 1820 1 1 9136 1891 1 4077 3772 1 6656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5623 5958 1 1 4423 178.1206 *179.0377* 179.0377@2.269571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2594 1328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179.0377 *179.0588* 179.0588@4.366316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7055 8436 1 1 1 1 1 1 1 1 1 1 179.0588 *179.0739* 179.0739@3.3971903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1026 1 1 1 1 1 1 1 1 1 1 179.0739 *179.0748* 179.0748@1.0470185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2699 1 1 1 1 1 1 1 1 1 1 179.0748 *179.0794* 179.0794@0.9040281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55632 1 1 1 1 1 1 1 1 1 1 1 67112 1 1 1 1 1 1 1 1 1 1 80690 179.0794 *179.0795* 179.0795@1.0042143 18436 1 1135 1 1 83024 1 1 1331 1 1 1 1849 2662 1 58817 1 1 1837 2078 1 1 65985 1912 1 1 1 1248 1 59896 1 1 1 1 1 1 1465 2075 1 1 68057 1 1 1 2007 1 1 1 1555 1361 1 1 1 74443 1 1 1161 1 1 1237 1738 1688 1 54595 1 1 1029 1 1 1 1 1 1 1 1341 1 1 1 1816 1 1 1 1 1456 1 53567 1 72069 1954 2361 179.0795 *179.0856* 179.0856@3.1301486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179.0856 *179.0873* 179.0873@1.2483174 1 1 1 1562 1 1 1 1 1 1256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179.0873 *179.0923* 179.0923@3.9894347 1 1 1 1 1 1 1 1 1630 1 4903 1 1 1 1 1 1 1 2145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1333 1680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179.0923 *179.093* 179.093@3.1104639 1 1 1 1 1 1 1 1537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1571 1600 1 1 179.093 *179.0945* 179.0945@5.198861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1012 1459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179.0945 *179.1663* 179.1663@6.108694 4450 4584 5578 5227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179.1663 *179.9717* 179.9717@0.7940106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1258 1 1 1 1 179.9717 *180.0013* 180.0013@0.90311337 1 1 1 1 1 17860 1 6691 1 9933 1 9855 13195 13656 1 1 1 1 1 1 1 1 1 1 1 1 13950 1 16308 1 1 1 1 9529 1 15541 1 1 16621 1 1 1 7426 1 1 8225 1 1 7546 7540 1 1 1 14193 1 1 1 11009 1 16413 1 1 1 1 1 1 9314 8476 15558 15109 1 1 1 12028 1 1 13401 13848 22570 1 1 14959 1 1 1 1 1 1 13230 1 180.0013 *180.0188* 180.0188@2.0385516 41294 45215 27060 20833 1 1 1 1 45232 1 26653 32082 1 1 1 43908 27191 35653 1 14760 34626 1 36391 1 29533 21775 1 1 1 1 57320 48973 1 1 1 1 1 1 1 46590 1 1 41196 1 39860 1 1 1 1 10055 1 39988 38232 1 1 1 11527 1 1 1 1 1 1 1 1 1 1 1 13579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0188 *180.0191* C7 H4 N2 O4 1 1 1 11895 45389 47315 37330 37352 1 42757 1 1 48293 41232 43380 1 10760 1 33066 10761 1 43104 1 35313 1 1 84035 84353 30835 29982 1 1 41392 40819 33710 36381 36501 42221 47535 1 33873 30899 1 40776 1 43999 40190 36120 27419 14828 44647 1 1 38241 42185 43927 16959 42689 40988 47464 21592 25198 39754 42180 36636 30760 23081 18169 8967 19807 17041 23792 18821 18066 25486 26608 20171 23905 31085 25537 15593 16271 26875 26642 23042 24030 22792 21958 19831 27039 180.0191 *180.0401* 180.0401@5.0276356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3356 3039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0401 *180.0479* 180.0479@1.2120914 1 1 2771 1 1 1 1 1 1 1 4034 1 1 1 1 1 1 1485 1 1 2095 1 1 1 1392 1 1 2800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2187 1 1 1 1 1 1 1 1 1 1 1509 1 1 1 1 1 1 2488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2629 2752 1 1 180.0479 *180.0492* C7 H13 Cl O3 1 1074 1 2594 3055 1 2328 2378 1 1 1 4017 2221 1 2212 1140 2001 1 2005 4102 1 3754 1 1 1 2807 3489 1 1 1 3848 1957 3439 3107 3147 1151 1 1 1 1 1 1 1210 1 1223 1 1273 2208 2589 1 1 1 1567 1369 1 1 2762 1 1 1 1 2151 2648 1862 1167 1979 4697 1 2333 1465 1 1 1822 1 1361 1 1 1 1 1 1 1 1 1553 1 1824 1 3299 1674 1844 180.0492 *180.0536* 180.0536@3.0141616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1368 1 1 1 1 1 1 1 1 1 1 180.0536 *180.0572* 180.0572@1.2285149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1955 1 1 1 1 1 1 1 1 1 1 4457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3819 1 1 1 1 1 180.0572 *180.0599* 180.0599@1.2363632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2060 1 1 1 1 1 1 1 1 1 1 1 1 2177 1 1 1 1 1 1 1 2661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2252 1 1 1 1 1 1 1 1 1 3829 1 1 1 1 1 2108 1 1 1 1 1 1 1 1 1 1 1 1 180.0599 *180.0627* 180.0627@1.2466319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2092 1088 1 1 1 1 1 1 1 1851 1 1 1 1 1188 1 1 1 1 1 1 2479 1 1 1 1 1 2487 1 1 1 1 1 1 1 1 1 1 1 1590 1 1 1 1 1 1 1364 1 1 1 2040 1 1 1 1 2639 1 1 1149 1 3711 1 1416 1 1 1608 1 1 1 1 1 2952 1 1 1540 1 180.0627 *180.0649* D-Glucose + 3.6962345 2937 3011 1 1 62175 62848 75091 75826 100469 97052 100583 99717 257440 244326 49150 48589 1 2893 57827 2720 34488 35208 126163 116355 2675 1 7433 7893 105965 104012 23307 22625 61932 61443 86432 85658 18907 18591 54737 52959 110398 109239 1648 1 26613 27164 8864 9524 1 21041 30027 31113 202301 1498 19243 19798 30579 1653 103287 107265 49854 47984 1 1 129835 135384 8397 8800 78064 78243 111931 114331 158007 165556 149207 153192 151745 147980 149582 151308 50056 48459 2454 31710 99412 99946 69711 65728 36523 39657 HMDB00122 C00031 180.0649 *180.065* D-Glucose 134533 127946 1 1 60002 60026 314393 308979 286307 288500 88680 91445 142328 143118 259813 258061 136261 138210 267587 265019 34319 34278 116394 120402 97474 102595 236022 235524 76942 76756 323671 314309 93066 96346 87306 89912 241744 245725 207436 209645 1 535369 35774 34974 35031 34999 372285 1 58432 58616 178108 181070 1 472843 15069 16105 24427 25606 77479 78787 57846 55862 15561 15274 87608 89130 123663 121448 236311 231782 104093 101847 121953 127017 87065 88087 275189 278904 105828 103118 177933 176813 30004 29442 95881 99284 45481 43611 125920 126347 HMDB00122 C00031 180.065 *180.0653* 180.0653@3.5296855 1 1 1641 1387 1 1171 1 1 1 1 1 1 1 1 1 1 1 1 1 55352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524447 1305 1 1 1 1 1 373687 1 1 1075 1 469897 195467 1 1 1955 27538 1 1 1 1 1 1 1 1 1 1 1 3769 1 1 1 1 1 1 5717 3889 1 1 1 1 30224 1 1 1 1 1 1 1 180.0653 *180.0774* 180.0774@5.310243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0774 *180.0783* 180.0783@4.5005984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1560 2083 1 1 1 1 1 1 1 1 1 1 180.0783 *180.0816* 180.0816@0.92 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0816 *180.0829* 180.0829@3.8741946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1138 1 1 1 1 1 1945 1 1 1 1 1 1 1 1 1 1074 1321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0829 *180.0829* 180.0829@4.5068617 1 1 1 1 1 1 1 1 1 1 1838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0829 *180.0877* 180.0877@3.8712888 1 1 1 1 3041 2871 1295 1 1 1 1212 1373 3461 3869 1 1 1 1 1 1 1 1 2007 1 1 1 1 1 1 1 1 1 1 1 1 1682 1 1 1 1 1 1684 1 1 1286 1 1 1 1 1 1 1 3410 3119 1769 1707 1 1 1608 1 1040 1099 1 1 1 3356 1 1 1799 1756 2090 1278 1689 1535 2976 2866 2005 1677 2501 2641 2374 1087 1 1 1874 3558 2011 1684 1 1 180.0877 *180.0988* 180.0988@2.9791775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2835 8145 1 1 1 1 1 1 1 1 1 1 180.0988 *180.1175* 180.1175@4.8975525 1 1 1 1 1 1134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.1175 *180.1243* 180.1243@4.8966775 1 1 1 1 1112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.1243 *180.1508* 180.1508@6.939523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.1508 *180.1776* 180.1776@3.3996367 1 1 1 1 1 1 1 1 4470 5004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1270 1229 1 1545 1 1 4549 4415 1363 1 1 1 1 1 1 1 1 1 1 1 180.1776 *180.1781* 180.1781@3.515662 1 1 1 1 1 1 5297 3977 1141 1096 1 1 2676 3508 3468 4071 1 2008 4130 4457 1 1 1004 1377 1088 1 3628 3985 1 1096 5097 5386 1 1100 1 1017 4188 3915 2979 2861 1 10131 1 1 1 1 6818 6646 1 1 2519 1 9330 2680 1 1 1 1 1 1004 1 1 1 1 1775 1440 1 1 3671 3854 1516 1228 1910 1950 1 1760 1658 1376 1937 2063 2476 2482 1 1 1 1 1 1 1427 1381 180.1781 *180.2195* 180.2195@3.4092028 1 1 1 1 1 1 1571 1 1 1286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.2195 *180.2245* 180.2245@3.4339886 1 1 1 1 1 1 1 1597 1211 1 1 1 1097 1094 1262 1225 1 1 1206 1340 1 1 1 1 1 1 1057 1 1 1 1342 1567 1 1 1 1 1186 1173 1 1 1 3215 1 1 1 1 1 1850 1 1 1 1 2614 2696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1 1394 1297 1 1 1 1 1 1 1 1 1 1 1 1 180.2245 *181.0511* 181.0511@1.0243349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1891 1 1 1 1 1 1 1 1 1 1 1 1 1 1980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2898 1 1 181.0511 *181.0523* 181.0523@1.0320004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3302 3674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1437 1516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2865 1 1 1 1 1 1 181.0523 *181.0718* 181.0718@0.9147504 1 1 1 1 1 4041 1 1 1 1 1 1 3390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1738 1 1 1 19878 181.0718 *181.0731* 181.0731@1.506022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0731 *181.0736* 181.0736@1.8440388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0736 *181.0738* 181.0738@3.1848066 1 1 1 1 3566 1188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1293 1 1 6329 1 1 1 1 1 1 1 1 1 1 1 1 1 1283 1 1 1 1 1 1 1 1 1 1 3144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4592 1 1 1 1 2718 1 1 1197 1 1 1 1 1 1 1 1 4186 1 1 1 1 2458 2788 181.0738 *181.0738* 181.0738@3.9647958 1 1 1 1 1 1 1603 1426 1 1 1 1 1 1515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2825 1 1 1 1 1 1 1 1 1 2077 1458 1 1 1 1 1 1 1 1 1 1 15121 1 181.0738 *181.0741* 181.0741@1.7647585 1 1 1 5617 1 1 1 1 4540 1 1 1 1 1 1 1 1 1 1 1 1571 1 6419 1 1 1 1 1 1 1 1 1 1 7924 1467 1 2084 1 1 1 2898 1 1 1 1 1 3147 1 1 1 1 1 1 1 1 2338 1 1 3208 1 1 6742 1194 1 1 12157 1 1163 1 1 1 1 1 1 1 1 4600 1 1 1 1 9972 1 1 1 1 12102 1 1 5098 181.0741 *181.0742* Tyrosine 3581 5901 7487 10427 10575 9234 6617 9148 6115 2650 5899 1 1 8704 9831 4666 8826 13632 3341 1 1 8913 1944 7606 5780 8589 5374 2128 4219 4654 10770 4812 8050 7535 7521 7108 7561 1 1 9809 18190 1 1 1 6061 6076 7220 7192 3441 2386 8031 6974 1 9079 7312 7120 2408 1 5653 4808 8054 1731 1 4913 2210 10927 2471 1 1 8914 7892 1536 1 1 8880 1 1 1 6629 2735 8619 8696 8760 1 1 1 12647 1 1 4393 HMDB00158 C00082 181.0742 *181.0744* 181.0744@1.3509644 1 3379 7002 1 1 1 3980 1 1 3162 1 1252 1 6061 1 7581 1 1 7808 1358 1 1 3159 1 5200 1 2796 1 1396 2165 1 1 1 1157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6622 1 1 1296 1005 1 1 1 1 3138 1 1 1 1 3889 1 1514 1159 1 1182 1 1172 1 1 1 1 1 1733 1966 6255 1 1 1 1 1 1 1 1 1 1 2264 181.0744 *181.0745* Tyrosine + 1.775995 8425 1 1 6050 11396 2857 1 1 1348 6290 1 1 1 1 2888 9365 12155 17090 9126 1 8246 11634 1017 7452 1356 1 1 6914 6866 5920 1 11179 7414 2059 8503 1 5445 1619 1 1 18933 1 13976 1 2329 1 4395 6335 1 12430 8546 1 1 1 7958 4957 2800 1556 4234 7391 10008 2501 8461 1 1 2664 5054 1515 1 1 4037 7713 1 22962 13196 8606 10077 16502 9775 1 12318 2047 9405 14394 1 1 2016 21649 6642 2064 HMDB00158 C00082 181.0745 *181.0759* 181.0759@2.9990795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1631 1 181.0759 *181.0765* 181.0765@0.9701783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1484 1 1 1 1 1 1 1162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2585 2301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1556 181.0765 *181.0789* 181.0789@1.2470021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0789 *181.0794* 181.0794@3.3503096 1200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1581 1 1 1 1 1 1 1 1054 1832 1 1 1 1 1 1 181.0794 *181.081* 181.081@2.9866784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3711 4735 1 1 1 1 1 1 1 1 1 1 181.081 *181.0832* 181.0832@1.0180136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0832 *181.0886* 181.0886@1.0406822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1602 1 1 1 1 1 1 1 1 1 1 1745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1367 1 1 1 1 1 1 1 1 181.0886 *181.0896* 181.0896@4.9995956 1 1 1 1 1 1 1 1 1 1 1 1 1743 1311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0896 *181.0942* 181.0942@0.9930524 1 1 1 1 2724 1 4828 1 1 1 1 1 1 1 1 1 1 8743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1314 1926 4520 5465 1 1 11498 1 6842 6316 1 3575 1 1 1 1 1 1 9514 1 7654 1 1 1 1003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1032 1 1 1 1 1 3723 4618 1 1 2839 7546 5685 6357 181.0942 *181.0949* 181.0949@5.258849 1 1 1 1 1 1 1 1 1 1 1 1 1126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0949 *181.095* 6-methyltetrahydropterin 12567 11660 1 10425 1 3604 1 4553 11719 11808 1 1 10916 1 1 18578 10004 1 10234 10579 8407 9176 9416 10303 10021 9335 1 1 7763 7443 10785 11311 1 1 1 1 12242 12648 1 10875 1 1 3336 1 11815 9394 10671 9277 12352 11786 1 7995 1 8785 12251 12231 6274 7948 8799 8240 11440 11329 5728 7326 8758 8796 8230 1 12235 12213 15065 16122 4193 3887 6975 6728 9194 10179 12478 10498 1 10087 1 1 6651 7727 4604 1 1 1 HMDB02249 181.095 *181.1462* 181.1462@7.216673 1 1 1 1 1613 1724 2701 2825 1 1 1 1 1 1 1985 1875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1914 1934 1 1 1259 1317 1 1 1 1 1 1 1 1 1487 1926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2807 1 2923 2747 1 1 1 1 1 1 1 1 181.1462 *181.182* 181.182@5.6539516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5479 1 1 1 1 1 1 1 1 1229 1 1 1 1 1 1 1 1 1 1 1 1 2845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.182 *181.1828* C12 H23 N 7704 9018 8283 7778 7277 6570 7153 7936 7532 7751 7316 7547 7456 7344 7707 7308 7513 5888 6873 6800 7207 6433 6999 6847 6702 7840 6525 6369 6613 6584 6580 5852 6265 1307 6248 6879 6782 5838 6060 6888 6264 6386 5481 6657 7027 6499 6730 5456 6196 6388 5658 6429 7425 6070 6169 3920 5796 6114 5923 6325 6506 5448 5517 6441 5946 5551 5418 5419 6227 6428 6064 6655 5471 6262 6562 6030 6151 5822 5247 6021 5555 5380 5324 5707 6103 6360 5470 6071 5880 5434 181.1828 *181.9551* C8 H3 Cl O S 15929 15236 9779 14848 13965 13790 14567 13793 14968 14493 14090 13793 16586 13775 15263 14964 15212 15153 13198 8364 9037 14072 15851 16664 13561 14011 14339 14188 9171 14874 14194 14260 14651 15662 16723 15815 17325 15878 8722 11652 13511 13689 15122 15378 14690 14428 14293 14117 16904 17419 11854 15047 16098 15971 14290 14536 15354 14780 16770 16622 15287 14614 13955 14187 14519 13509 15092 15439 14578 15502 14441 14876 14265 14410 15482 15436 9545 13680 13895 14283 17157 14535 17803 16827 14847 14591 14623 13061 13335 15878 181.9551 *182.0578* 182.0578@8.975129 3628 1 3794 3840 1 1 3455 3581 1 3576 3956 1 3420 1 3876 1 1 1 1 1 1 1 1 1 1 1 1 3689 1 3901 1 1 1 1 1 1 1 4159 4491 1 1 4090 1 1 3916 1 1 1 1 1 1 1 1 1 3992 1 2386 1 1 1 1 1 3472 3567 1 1 1 1 1 1 1 3640 1 3916 1 3790 1 1 1 3750 1 1 3602 1 1 1 3550 1 1 1 182.0578 *182.0583* ,4-Dihydroxyphenylpropionic acid 1 4046 1 1 3919 3692 1 1 3558 1 1 4473 1 3565 1 4741 4125 3622 3703 3809 4102 4363 4161 4568 3643 3747 4241 1 3886 1 3965 3690 3458 4046 3929 3767 3788 1 1 4343 4043 1 3793 3904 1 4208 3901 3857 4382 3881 4307 3946 4304 3923 1 3667 1416 4038 3704 3673 3701 3870 1 1 3639 3242 3383 3656 4145 4083 4147 1 3732 1 3752 1 3911 3704 3099 1 3445 3697 1 3306 3728 3105 1 3626 3387 3592 HMDB00423 C10447 182.0583 *182.0729* 182.0729@6.227651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2674 1 1 1 1 1 1 1 1 1 1 1 182.0729 *182.075* 182.075@6.231521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1548 1976 1 1 1 1306 1 1140 1 1 1 1 1 1 1 1 1 1561 1300 1 1122 1 1 1 1 1 1 1 2350 1 1 1 1 1 1 1 1 1 1 182.075 *182.0797* Mannitol 3505 3952 4088 3643 210288 9021 184055 6757 4461 3906 4516 4440 4224 3922 3930 4572 4903 5120 4787 4621 263104 13520 1 5341 4409 4858 4716 4920 3562 3646 6504 7370 4030 4168 6879 7057 5872 5913 5955 6582 4845 5477 5271 4655 2767 2507 7292 7875 3814 5770 5752 6006 5126 1 4209 3878 4306 4459 5263 5514 4499 4832 3925 4480 4886 4261 5816 5020 3495 3474 115145 5563 160396 5642 5332 4812 4067 4163 10846 10163 4382 4836 5732 5186 4601 98514 4282 4773 11126 11736 HMDB00765 C00392 182.0797 *182.08* 182.08@5.670287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1210 1 182.08 *182.0819* 182.0819@6.2439947 1 1 1 1 1 1 1 1 1 1 1 1 1 1864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0819 *182.0824* 182.0824@3.6911035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1156 1 1 1 1 182.0824 *182.0926* Dacarbazine 4643 5613 6198 6946 4045 4537 3481 1 1 3535 4905 3803 1 3919 4050 4912 3462 1831 4326 4375 4021 1 1 2940 6223 6000 5062 4442 4866 5589 1 3291 1 7598 3848 5130 6224 6476 1 5128 6461 6958 3402 1 2826 3043 4045 4536 4724 4626 5654 5370 3737 3862 2839 2181 5455 5139 5679 4949 1 1 3103 4052 1 4413 1 2794 3489 1 4703 1 5248 5024 4970 4616 1 1 1 3209 1 5281 5857 6570 4066 1 4498 4523 4783 3215 C06936 182.0926 *182.0936* 5-oxo-7-decynoic acid 1 1317 1374 1 1 1 1 3778 3845 1 1 1 3161 1 1 1 1 1260 1 1 1996 4042 3367 1 1 1 1 1 1 1 3226 1 6433 1300 1156 1 1 1 3798 1 1 1 1316 4264 1464 1 1 1 1339 1754 1 1 1 1 1 1 1640 1 1 1 2727 3734 3611 4483 2984 1425 2607 1 2814 3542 1 4941 1 1 1 1 4285 4146 3255 1 3469 1 1211 1 1 4066 1 1 1 1 182.0936 *182.0942* 182.0942@5.1884227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2882 2430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0942 *182.0943* 182.0943@5.154254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1606 1354 1 2283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3599 1151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0943 *182.0955* 182.0955@4.3650928 1 1 1 1 1 1 1 1448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0955 *182.1016* 182.1016@0.8599723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.1016 *182.1019* 182.1019@4.4411707 1 1 1 1 1263 1541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.1019 *182.1021* 182.1021@0.8424803 4597 3628 1 1 3907 1 1741 1 1 1 1 1 1 1 7197 8341 1 3141 1 1 1467 1386 1 1 1 1 1 1 4763 1 5243 1 1 1 1 1 1 1767 5518 1524 1 1 1 1 1587 4893 1273 1814 1884 5404 1 1 1 1 1 1 1 1 3128 1 1492 1830 1 1 1 1 1 1 1 1 1 1 1 1 4607 4748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.1021 *182.1052* Phenylalanine + 3.1124516 1325 1 1015 1 1624 1987 1 1 1 1 1222 1 1 1338 1 1658 1 1 1766 1803 5352 5518 1 1 1 1 4022 2944 1 1 4146 3769 3687 2662 1 1 1601 1513 1856 2182 1816 1932 1049 1 1924 1 1874 1537 1968 1881 1036 1 1 1 1 1 1304 1184 1 1 3307 2989 1144 1681 2766 2139 7004 7765 1667 1501 1327 1219 1 1 1664 1255 1 1 1 1 1142 1 1 1129 3185 4193 1910 2053 1549 1647 HMDB00159 C00079 182.1052 *182.1284* 182.1284@6.7601547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.1284 *182.1303* 182.1303@6.7908263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6758 1714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.1303 *182.9559* 182.9559@0.7760007 1 1 2992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2253 2578 1 1 1 1 1 1 1 2845 1 1 1 1 1 1 1 1 1 2566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2917 1 1 1 1 1 1 1 1 1 1 1 1 1 182.9559 *182.9809* 182.9809@7.0614657 1 1 6530 6499 1 1 1 1 1 1 2958 2824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3641 3254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.9809 *183.0337* 183.0337@3.3554277 1 1 1 1 1 1 1519 1844 1 1 1 1 1 1 1 1 1 9109 8761 9776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4373 3473 1 1 1984 2003 1 1 1200 1 8029 7588 1 1 1 1 1 1 1 1 1139 1 1146 1 1 1 2946 3925 1180 1478 8828 7417 1018 1217 1 1 1 1 1 1 1 1 10017 10683 7198 1 1 6178 1 1 183.0337 *183.0381* 183.0381@0.77617043 16090 16641 12724 12717 14863 12105 12115 12463 12862 11756 11792 11659 12302 12248 12791 12168 12867 11855 12190 12876 12963 13277 13499 14163 12597 13022 13083 12110 13075 13229 13172 13693 14290 13801 13816 14826 15400 14183 13784 13905 13426 13066 14880 14328 13810 14322 13356 13607 15019 14983 14209 14082 15303 15442 14448 13228 14008 14238 14831 14542 14270 14458 13843 13407 13828 13948 14339 14978 13696 13226 14625 14211 13968 13535 14607 13358 13541 13316 14474 13363 13767 13328 14534 15147 14540 14076 13002 12890 13565 14076 183.0381 *183.0475* 183.0475@3.84849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1113 1008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1140 1409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0475 *183.0514* 183.0514@1.2320229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0514 *183.0527* 183.0527@2.9551244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3479 2761 183.0527 *183.0528* 4-Pyridoxic acid 2071 2548 2907 3165 3177 12957 3327 3383 3141 3020 2146 2637 1 3176 2393 3272 2847 1 4011 4227 3464 3469 1 1 1766 1 2589 2709 1985 2578 1 1 2851 2760 1 1 1 4606 1 4121 2971 3766 2622 2813 2948 1 3055 4600 3031 2655 2632 1 3519 4482 1605 1722 1927 1703 1 1 3033 3338 2547 2861 2385 1 1 2238 2346 2192 1 2717 1922 2176 2394 2643 2402 2979 4386 3710 2504 2751 1 2980 2644 1 2647 2468 4823 1 HMDB00017 C00847 183.0528 *183.0531* 183.0531@5.933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0531 *183.0565* 183.0565@1.2755375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1994 1620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0565 *183.0665* C4 H13 N3 O3 S 1732 1806 2412 2088 2735 2650 1 2489 2218 2130 1 1324 3248 2937 2690 1839 1958 2019 2794 2043 2922 2945 2767 3046 1825 1815 1887 2005 3512 3714 1612 1592 1727 2016 1 1635 2139 1491 2448 2742 2267 2626 1319 1 1658 1877 1 1 2864 2711 1290 1357 2232 1992 1382 1 2100 2109 2807 3268 1388 1 1706 1955 1877 1579 2187 2356 2347 2672 2131 1866 2035 1 1142 1491 2557 2041 2081 2649 1128 1336 2837 2894 1971 1974 1893 1385 4164 4227 183.0665 *183.0788* 183.0788@0.9809938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0788 *183.0859* 183.0859@2.3420765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1594 1 1 1 1 1 1 183.0859 *183.0867* 183.0867@0.9335487 6163 1 1 1 1 1 1 1 1 1 1 1 1 1 8663 1 1 1 1 1 1 1 1 6050 1 6582 1 1 1 8464 1 1 1 1 1 1 1 7190 1 1 1 1 9062 1 1 1 1 1 1 1 1 1 11277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7082 1 183.0867 *183.0875* 183.0875@2.4166236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5471 3799 1 1 1 1 1 1 183.0875 *183.0884* 183.0884@3.173858 1 1 1 1 1 1 1 1 1338 1167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0884 *183.0919* 183.0919@1.2477782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1399 1 1 1 1 1 1337 1 1 1 1 1 1314 1 1 1 1 1 1 1 1 1 1 1 1 1 2157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0919 *183.0985* 183.0985@1.2488723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2508 1 1 1 1 1 1 1 2068 2280 1 1 1 1 1602 1 2977 1 1 1662 1 3675 3789 3828 1 1 1 1485 1245 1 1 1 1 1 1 1 3739 3032 1 1 2299 2383 1413 1131 1792 1 3130 3669 2693 2586 1 1 1 2019 1437 1621 1360 1394 1049 1 5287 5390 6517 5285 3562 2839 2371 2235 2764 3116 2726 1 1212 1440 1 1 183.0985 *183.1015* 183.1015@1.248973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.1015 *183.1239* 183.1239@5.4620275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.1239 *183.952* 183.952@0.77575123 1 1 2660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3514 3697 1 1 1 1 1 1 1 3939 1 1 1 1 1 1 1 1 1 2949 3545 1 1 1 1 1 1 1 1 1 1 3622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3251 1 1 1 1 1 1 1 1 1 1 1 1 1 183.952 *184.0203* 184.0203@3.3992343 1 1 3609 4179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23571 24549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0203 *184.0278* C10 H4 N2 O2 1991 2643 2941 4348 5561 5061 4210 4013 2847 2749 3907 2676 2653 3132 3285 3000 3200 3301 3145 2511 3232 3499 1922 2540 3370 4443 4828 3601 5663 3231 4408 3863 3721 2366 3228 2880 2645 2665 3162 2260 3646 4537 3252 4080 3501 3780 5665 3279 2694 2298 4068 3863 4228 5663 3659 3407 2408 4039 3872 4088 3701 5150 2289 2583 3568 4305 2025 4887 3451 2817 3776 2835 5712 5333 4356 3987 3077 2864 1172 1863 3331 2720 3574 4143 4272 4020 5284 2743 3542 4018 184.0278 *184.0346* 184.0346@2.2103167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1045 1 1 1 1 1 1 1 1 1 1 1 1039 1 1 1 1 1 1 1 1 184.0346 *184.0347* 184.0347@0.70075387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2221 1 1 1 1 1 1 1 1 1062 1 1 2045 1 1 1 1 1 1 1 1 1 1 1190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1999 1 1826 1 1 1 1 1 1 1 1 1 1408 1 1 1 1 1 1 1 1 1 1 184.0347 *184.0349* 2-Hydroxyadipic acid 2160 3892 1 2240 1 2095 1 7928 1 1780 1 1 1 1 2163 1 1 1 3180 1 3406 1 1 2143 2441 1789 3172 4382 1 6769 1795 2189 8936 1 1 1 5248 2839 1543 1 1 1 5834 1 1 1 1 3824 1 5596 3650 1 4664 2584 1 5059 1531 1369 3604 1 1 1375 1 1 1891 1070 1 2756 1 2472 1 2473 1 1 1 1 1 1256 1 1796 7797 1008 2564 1 4289 1 1 1 1247 1 HMDB00321 C02360 184.0349 *184.0349* DIBENZOTHIOPHENE 1 1778 1 1 3303 1677 3217 1133 4963 7253 1762 3358 3634 5886 1374 3928 2564 4549 2543 2774 4459 6435 9936 6398 9479 10837 4676 5661 5689 1093 1962 1311 5921 5784 8037 7593 5246 8056 5647 4467 2222 5493 2908 2801 1465 3027 9741 11708 1050 9752 1584 2772 7080 2634 3488 1043 5328 2465 1604 2433 8863 2519 6824 6198 5026 2441 15693 2319 2453 10055 3544 9865 10478 6821 6048 6088 1750 7235 4585 3030 14263 12478 4803 5411 14041 2364 5215 4285 5396 5210 184.0349 *184.0349* 184.0349@1.1308613 1 1 1 1 1 1 1 1 1 1 4119 1 1 1 3850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2206 1 1 1 1 2877 1 1 1 1706 1 1 1 1 1 1 1 1 1 1 1442 1 1 1 1 1 1 1 1 1 1819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0349 *184.035* 184.035@0.6428155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4894 4583 1 1 1 1 1761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4432 1 1 1 1 1 1 1 1 1 1 184.035 *184.035* 184.035@1.5725797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1700 1 1 1 1 1 1 1 1 1 1 1151 1 1177 1 1 1 2071 1 1 1 1 1623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1257 2308 1 1 1 1 1239 1 1157 1 1 1 1 1 1 1 1 184.035 *184.0352* 184.0352@2.6789675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2953 1 1 1 1694 1 1 1 1 1 1037 1 1377 1 1 1 1 1 1 1 1 1 1 1 1 1553 1 1 1 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1483 184.0352 *184.0354* DIBENZOTHIOPHENE + 1.3471979 1313 1040 1 1 1 1390 3566 2574 3357 1911 1751 1 2360 1 1131 1 2133 1 3268 1740 1288 1 2998 1 1 3273 1 1355 1 1 1 2729 1 1 1 1123 1 3149 1 1 1464 1 1954 2733 3755 3850 1 1 1026 1 1 3251 1 3233 1759 1392 2458 1690 2505 1694 2720 1 1705 1 1256 1970 2080 2461 2041 1 1599 1059 1 2857 2192 1 1 1 2579 1 1 1524 1 1 1328 1869 3135 1236 3385 3578 184.0354 *184.0355* 184.0355@1.8861617 1 1 1 1 1 1 1 1 1 1 1374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1390 1 1 1 1 1 1 1 1 1 1426 1 1 1 1 1 1 1 1 1 1 1 1093 1 1 1 1 1 1 1 1 1151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1071 1 1 1 1 1 1106 1 1 1 1 184.0355 *184.0355* 184.0355@2.5129573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0355 *184.0356* 184.0356@1.2525084 1 1 1 1 1 1 1 1 1 1 1265 1 1 1 1616 1 4065 1 1 1 1824 1 1404 1 1 1 1 1 1 1 1 1 1 1 1 1400 1 1 1 1 1895 1 1 4287 1773 1 1 1 1 1 1 1 1 6171 1 6172 1 2223 1 5564 1 1 1 1 1669 1038 1 1 2041 1 6338 1 1 2071 1861 1 1 1 1 1 1 1 1 1 1 2743 3302 1 1454 1 184.0356 *184.0357* 184.0357@2.355255 1 1269 1 1 1 1 1 1 1544 1 1 1 1 1 1347 1 2398 1 1 1 1 1 1 1 1 1 1472 1787 1 1 1 1 1 1 1 1 1 1055 1 2104 1 1 1 2903 1277 1 1 1 1 1515 1822 1 1 1 1 1 1 1 1 1030 1 1 1 1 1 1 1 1 1 1633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1501 184.0357 *184.0361* 3,4-dihydroxymandelate 1 1 4422 4278 1 2941 4150 4304 4891 3658 5246 3690 4834 1 8416 5102 1 1 1 3391 5218 4958 4953 6727 6101 5024 6346 3913 1 7343 7980 3718 6138 5729 5662 6377 2374 5589 6244 1 4307 8410 6290 1 5719 1 1 5909 8511 5059 1840 8977 5227 6104 5252 6033 4531 1 5954 6239 5893 4959 1 1 6058 5190 6193 7171 5623 5876 1 5329 6464 1 8964 5275 1 5277 1 5041 1523 6562 5842 6364 7469 1 1654 1 1 4585 184.0361 *184.0361* DIBENZOTHIOPHENE + 1.2266107 1 1 1 1 1627 1 1568 1895 2430 1 1314 1028 1598 1 1119 1799 1305 2044 1467 1168 1509 1 1035 1 1 1 1697 1 1433 8963 7353 8136 1 1 1888 1491 2039 4527 1301 1 2046 1 4152 4489 1757 2634 2000 1 9367 4887 1 2137 2070 1448 1401 1132 1104 5037 6313 1490 1 9831 2432 1315 1994 5593 1 17343 11844 1 1444 1 1 2372 1653 1435 7702 1815 2013 1234 1 1211 1888 1 1929 13511 2085 1590 1166 3036 184.0361 *184.037* 184.037@3.2888186 1 1 1 1 1 1 1 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.037 *184.0372* 184.0372@8.974745 1 1 1 1 1 1 1 1 1 1 1 1241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0372 *184.0386* 184.0386@1.0352591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1628 1 1 1 1578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0386 *184.0638* 184.0638@3.472413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1775 1820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0638 *184.0743* 184.0743@2.955005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0743 *184.083* 184.083@2.8983438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1983 1 1 1 2655 2504 1 1 1 1 1 1 1 1 1 1405 1 1 1 1 1 1925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2151 1752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.083 *184.0851* 184.0851@2.9329803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1351 1 1 1 1511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2126 1 1 1 1 1 1 1 1 1 1 1268 1 1 1 1 1 1 1 1 1 1 1 1 184.0851 *184.0905* 184.0905@8.399797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2305 2099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0905 *184.1061* 184.1061@4.900685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.1061 *184.1076* 184.1076@4.1294646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4278 3764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.1076 *184.1077* 184.1077@3.9226708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1952 2563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.1077 *184.1105* 184.1105@5.930018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2072 1 1 1 1 1 1 2230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1100 2282 1 1 1 1 1 1 1 1163 1 1 1 1 1 1 1 3724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2382 1 184.1105 *184.1114* 184.1114@5.6005197 1410 1 1 1 1445 1 1 1070 1 1 1033 1031 1524 1184 3261 1199 1 2159 1 2209 1 1777 1224 1 1 1 2583 2773 2783 1 2733 1 1202 1304 1 2646 1036 1 1516 1494 1095 1 1181 1289 2427 2196 1 1 1984 1 1023 3038 1 1385 1 1 1 1085 1 2205 1 3024 1 1 1 3188 1 1193 3017 1 1 2559 1 1 1 1 1122 1 1662 1180 1 1 1 1 1 1 1 1 1042 1 184.1114 *184.1115* 184.1115@1.2460358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1076 1 1 1 1 1 1 1 1 1 1 1 184.1115 *184.1126* 184.1126@6.446168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.1126 *184.1143* 184.1143@3.7461178 1315 1 1 1427 1 1 1 1 1 1 1 1750 1 1 1 1239 1 1 1 1204 2550 1 1 1 1 1 2064 1 1 1 1 1 1817 1 1 1224 1 1 1 1 1 4484 1 1 1 1 1 1 1 1 2594 1 1 1 1 1 1 1 1 1 2725 1 1 1 2286 2123 1 1 1 1165 1 1 1558 3100 1 1 1 1 1 1 1 1 2260 1 2076 1631 1 1721 1 1 184.1143 *184.1157* 184.1157@1.2380092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.1157 *184.1175* 184.1175@4.5536695 1 1 1 1 2386 1464 1 1 1 1 1 1 1 1 1 1 1 1 1983 1144 1 1 1 1 1 1 1 1 1 1 1 1701 1 1 1 1 1 1 1 1949 1 2503 1 1 1 1 2223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1178 1423 1 1 1 1 1358 2062 1 1 1 1 2940 2625 1 1 1886 2382 1 1 1 1 184.1175 *184.118* 184.118@7.351189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.118 *184.1188* 184.1188@1.1935575 1 1 1 1 1 1 1 1 1 2286 1 1 1 1 1 1 1 1 1382 1300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1337 1 1321 1 1 1 1 1 1 1 1 1 1184 1 1 1 1 1992 1 1 1 1 1 1576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1776 1 1 1 1 1 1 184.1188 *184.119* 184.119@4.24692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2140 1 1 1 4468 4431 1 1 1 1 1 1 1 1 1 1 1 1 1007 1 1 1 1 1 1 1 1 1 1437 1 1 1 1 1 1 2765 1 1 2030 1 1 1 1 1 184.119 *184.1203* C9 H16 N2 O2 2250 9005 12165 2220 7951 2105 2994 10230 3072 1142 2297 1 9351 1 1 8672 12536 3683 3215 2978 2998 1 12204 15603 4895 1670 2828 2292 7806 3375 3504 11256 1 16441 2758 9124 27225 28768 14467 4242 14843 10470 14292 13977 16651 12969 15883 15224 14801 12505 9914 10985 19460 4981 10033 9343 6544 2178 16711 15151 4265 13935 2566 21154 2606 9183 2022 4133 10163 12783 25426 26302 2879 2822 1 8409 12824 13762 19381 18209 1 14127 14334 9645 19931 13396 10832 9927 18703 21611 184.1203 *184.1208* 184.1208@3.69388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8529 1 1 1 1 1 1 1 1 1 1 1 1 1 2607 1 1 1 4446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1836 1 1 1099 1 8501 1 1 1 1 1 1 8410 1 1 1 1 1 1 1 184.1208 *184.1213* C9 H16 N2 O2 + 3.6158738 113820 115579 86484 88874 65909 66649 49452 49782 16610 16860 149326 151822 107708 110446 149728 147370 63006 67547 147532 143760 325309 333493 89101 85748 103068 100500 270764 270518 49875 50491 206714 207892 176994 181864 89295 95429 138868 136831 131700 131232 246434 253231 142449 140790 144688 143838 119824 121380 183727 184163 190648 198728 124877 119833 153141 158134 142161 142312 29142 29672 170097 172610 121560 119545 139434 137733 340874 336092 113458 112605 154211 151491 83830 83074 112404 107495 88200 86438 134196 134708 198879 202342 180632 183060 142559 142234 165382 161994 116593 118332 184.1213 *184.1224* 184.1224@5.914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.1224 *184.1793* 184.1793@9.697093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1141 1 1 1 1 1 1 1 1 184.1793 *184.1825* 9-dodecen-1-ol 1 1 1 1 1954 2114 4648 4034 1747 1700 1 1 1 1 2126 2394 1296 1 1582 1 2373 2262 1572 1385 2370 3264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2418 2868 1 1 4958 4294 1 1103 1 1 1 1 1476 1200 2775 2958 1 1 2264 2272 2278 2689 2172 2495 1 1 1 1 1329 1138 1985 1606 4532 4871 5282 6004 1 1 1 1 2613 2114 2000 2479 184.1825 *184.1945* 184.1945@6.1096134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1107 1153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.1945 *185.0278* 185.0278@0.7760215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2596 1 1 1713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2745 1 1 1 1 185.0278 *185.0323* 185.0323@0.77754885 1 1 1 2382 1 1 1 1 1 2164 1 1 1 1 1 1 1 1 2593 1 1 1 2152 1 1 1 1 1 1 1 1 2720 2923 1 2564 2940 2959 2875 2365 2322 1 1 2226 1 2662 1 1 1 1 1 1 1 2905 1 1 1 1 1 1 1 1 1 1 1 1 2700 1 1 2662 2959 1 1 1 2483 1 2560 2849 2730 2722 1 1 1 1 1 2883 1 1 1 1 1 185.0323 *185.0342* C7 H8 Cl N3 O 2279 2500 1 1 2167 2417 2210 2360 2558 1 2143 2478 1 1 1 2243 2210 2210 1 2424 2346 2154 1 1 2618 2265 2755 2641 2670 1 1 1 1 1 1 1 1 1 1 1 2461 1 1 1 1 2853 2228 2795 2670 2945 2623 1 1 2788 2213 2596 3054 2760 2538 3066 2400 2800 2608 2588 2658 1 2744 2533 1 1 2816 2689 2834 1 1 1 1 1 1 2860 1 2607 2553 2838 1 1 2741 1 2762 1418 185.0342 *185.0484* 185.0484@4.7045207 1 1 1 2944 1 1 1 1 1 1 1 1 1 1 1 1926 1 1 1 1 1 1 1 1 3686 1 1 1 1 1 1 1 1 1 1 5684 1 1 1 1 1 1 1 1 1 1 3449 1 1 1 2982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 185.0484 *185.0529* 185.0529@4.703015 1 1 1 1 1 1 1 1 1 1 1 1 1302 1 2063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1279 1 1 1 1 1 1 1 1 1 1507 1 1 1 1 1 1 1 1 1 1 2709 1 1873 1 1 1563 1761 1 1 1 1 1 1 1373 1377 1 1 2716 2117 1 1 1 1 1 1 1 1 2444 2144 1 1 1 1 1 1 1 1 1 1 185.0529 *185.0591* 185.0591@4.699539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 185.0591 *185.0609* 185.0609@6.094241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16284 17740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5426 7349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 185.0609 *185.0614* 185.0614@5.984613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1973 1164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 185.0614 *185.0652* 185.0652@3.0741827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1460 185.0652 *185.0666* 185.0666@0.69033706 1 1 1 1 1 1 1 1 1 1 2367 1 1 1 1 1186 1 1 1 1 1741 1776 1 1772 2266 1 2096 1 1 1 1 1 1 2657 1 1932 1470 1 1064 1 2232 1 1 1 2046 1 1 1 2724 2874 1 1888 1 1 1 1795 2202 1 1182 1141 1 1 3096 1 1 1 1 1 1 1 1 2410 1 1 1 1 1690 1612 1 1 1610 2840 1 1 1 1 1 1 1789 1 185.0666 *185.0672* 185.0672@0.6657531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1191 1 1 1059 1 1 1 1 1 1 1 1 1 1 1 1465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 185.0672 *185.0672* 185.0672@1.2000148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1156 1117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 185.0672 *185.0683* 185.0683@4.2268643 1 1 1 1 1 1 1 1 1 1 1 1 1556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 185.0683 *185.0701* 185.0701@0.97200674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 185.0701 *185.0774* 185.0774@2.9971602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3097 1 1 1 1 1 1 1 1 1 1 185.0774 *185.081* 185.081@1.2320464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 417116 410743 1 1 1 1 1 1 1 1 1 1 185.081 *185.0895* 185.0895@1.1725175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2149 1807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6176 7781 1 1 1 1 1 1 1 1 1 1 185.0895 *185.101* 185.101@1.286804 1 1 1 1 10185 11157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1511 1099 1 1 1 1 1 1 10328 9861 1 1 12574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1684 1 1261 1 1 1 1 1 1 1 1 1 1 1 1892 1 1 185.101 *185.1052* Ecgonine 14449 61701 13992 13403 1 1 69821 78809 63337 61317 68780 70089 13032 12293 66675 65977 59650 61567 70543 10275 9625 9251 70827 70842 56565 59296 56317 56702 53932 56700 106863 106564 65527 64321 1 1 92884 93435 1 14177 15426 99620 68149 68814 58910 59279 90193 83527 51042 53996 75378 72737 87835 88441 55502 55682 50692 48258 78734 79524 89795 89580 85762 83867 71050 71818 60013 61013 67050 67035 83450 84682 65405 65831 68146 68356 73637 71405 1 1 64775 67433 59059 55631 79338 81682 76422 73889 73913 81780 185.1052 *185.1229* 185.1229@3.6729662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 185.1229 *185.1405* N-methyl-Gabapentin 1 1129 1073 1 1 1 1 1504 1 1075 1299 1 1481 1419 1809 1565 1274 1 1 1001 1 1584 1 1435 2159 1 1447 1057 1581 1609 1 1 1 1135 1463 1606 1210 1346 1666 1 1 1 1277 1354 1179 1 1 1 1 1 1397 1438 1465 1089 1071 1 1060 1 1 1276 1 1 1 1 1 1 1031 1211 1348 1150 1 1 1271 1 1 1260 1 1 1728 1 1013 1 1 1 1 1069 1226 1 1 1069 185.1405 *185.1954* 185.1954@1.2315463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7104 7238 1 1 1 1 1 1 1 1 1 1 185.1954 *185.2141* C12 H27 N 5426 5484 5592 4215 6342 6292 6718 6097 6109 5706 5321 5108 5373 5062 5548 5834 5344 5562 6445 5400 5542 5838 5157 5556 5508 5421 5608 5332 5652 5520 6181 5598 6574 5879 5890 5319 6041 6007 6241 5530 5767 5835 5998 5365 4891 4916 5105 4489 4491 5050 4182 4409 4645 4058 5072 3880 3839 4437 4306 4653 4467 4778 4965 4028 4717 4494 5260 5046 4048 4801 5144 5167 5191 4602 4458 4804 4924 4681 4223 4664 5023 4504 4737 4673 4299 4891 4731 4466 4400 3978 185.2141 *185.2145* 185.2145@6.6155686 1 1 1 1851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 185.2145 *185.9885* 185.9885@0.80821913 1071 1 1 1 1 1049 1 1364 1 1 1 1 1 1032 1 1239 1047 1111 1 1 1 1011 1 1033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1038 1 1 1 1 1 1 1065 1 1 1 1018 1 1088 1 1 1035 1 1054 1 1086 1 1 1 1 1 1 1 1 1 1 1 1087 1 1 1 1 1111 1 1 1 1 1 1 1 1 1 1 1 1 185.9885 *186.0152* 186.0152@0.8885172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3557 4798 1 1 1 1 1 1 1 1 1 1 4639 4681 1 1 4982 1 1 1 1 4082 186.0152 *186.0349* C8 H10 O3 S 1 1039 1007 1082 1122 1 1082 1 1 1296 1 1 1 1 1 1120 1 1 1406 1460 1006 1 1224 1250 1176 1 1 1011 1157 1173 1259 1010 1179 1022 1287 1260 1107 1312 1587 1366 1396 1 1 1101 1 1 1333 1289 1323 1634 1096 1271 1411 1183 1080 1090 1376 1063 1450 1777 1 1152 1192 1273 1 1 1211 1318 1034 1 1368 1262 1 1 1060 1 1 1186 1 1 1444 1 1309 1439 1111 1092 1 1 1124 1 186.0349 *186.0392* 186.0392@3.1555712 1 1 1 1029 1 1050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.0392 *186.0423* 186.0423@3.2100244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.0423 *186.0507* 2-Deoxyglucose 55820 58996 44156 43863 22868 11748 28089 28117 56263 57180 37718 1 52792 50064 1 73597 46082 45914 41426 42814 42450 44616 43942 47449 44282 42176 52186 1 37450 38950 44210 42327 9515 8203 30424 31009 51230 49612 1 38521 31516 31422 18591 21638 52834 49018 47897 49266 56589 1 40407 40904 48547 50108 47146 53550 28401 33211 40267 39332 1 48010 29544 30718 45464 1 1 30191 43662 47398 60566 61594 25188 25478 30624 29441 41310 1 1 35969 1 42773 24170 25537 29358 31834 1 31267 32500 30961 186.0507 *186.0509* 186.0509@0.9886193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6711 1 1 1 46733 1 1 1 1 44749 1 1 1 1 1 1 1 1 1 1 1 1 33803 1 1 1 1 1 1 1 32228 1 1 1 186.0509 *186.0509* 186.0509@1.1025589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4076 1 1 1 1104 1 1 1 1 1 1 1 1 1 6212 7524 1 1 1 1576 1 1 1 1 1 1 1616 1 1951 1 1 1 1 1 1676 1604 1 1 1 1 1 1 1 1 1 1 1 1452 186.0509 *186.0518* C3 H11 Cl N4 O3 1999 1626 1 1 2007 1 1612 1809 2328 1882 1979 1 2189 1904 2326 2366 1523 1884 2069 1655 2110 1892 1585 1416 2304 1563 1 2183 1 1 2331 1202 1 1086 2012 1839 2467 2299 1 1 1989 1542 1770 1 2396 2072 2657 1607 2041 2592 2218 1720 2860 3222 1 1603 1092 1 1315 1923 2742 2499 2721 2324 2771 2868 1 1623 2320 1885 1613 2240 2478 2916 2680 1771 1543 2355 1 1 2082 2164 2236 2076 1698 1622 1923 2141 2029 2092 186.0518 *186.0556* 186.0556@1.1830071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.0556 *186.0862* 186.0862@3.2690008 1 1 1 1 1 1 1 1 1 1 1 1617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2127 1766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1319 1 1 1 1 186.0862 *186.0908* 186.0908@9.3807335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3452 3669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.0908 *186.0921* 186.0921@1.6080706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1032 1 1 1 1 1 1 1 1 1 1 1 186.0921 *186.1185* 186.1185@7.714433 1 1 2280 2220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4758 4613 1 1 1 1 1 1 1 1 1 1 1165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.1185 *186.1251* 186.1251@3.9809768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.1251 *186.1262* 186.1262@7.275289 1 1 1 1262 1 1 1375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2819 2510 1 1 1 1 1071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1077 1 1 1 1 1 1 1 1 186.1262 *186.1305* 186.1305@3.618745 1 1 1 1 1 1699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.1305 *186.1353* 186.1353@3.9708474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.1353 *187.0279* C4 H11 Cl2 N3 O 1 1 1 1 1167 1022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1365 1417 1 1 1957 2394 1328 1 1 1 1252 1298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1161 1 1 1182 1185 1358 1 1 1128 1128 1 1 1 1074 1 1 1 1 1 1 1 1 1 1646 1 1 1 1 1 1 1 1074 1 1 1172 1081 1 1 1088 1 187.0279 *187.0485* 187.0485@2.0222864 1 1 1 1 1 1 1 3465 1 1 1507 4285 1 1 2267 1 1 1 1 1 2169 2064 1 1 1 1 1 1909 1 1 2653 1 1 1999 1 1 1 1 2790 1 1 1768 1 1711 1 1 1 1 2606 1857 1 1 1 2958 1 1 1 1 1 3710 1 1837 1 1 1875 1055 1 1 1 1 1555 2676 2163 1 1 1 1 1 1674 2414 2365 2259 1591 1 1 1 3125 1 1 1 187.0485 *187.0496* 187.0496@1.9640814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1171 1 1 1 1 1 1 1 187.0496 *187.0543* 187.0543@1.0050099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1784 1 1 1 1 1 187.0543 *187.0553* 187.0553@0.98552907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1580 1 1 1 1354 1 1 1 1 1 1 1 1 1 1 187.0553 *187.0595* 187.0595@6.0761023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.0595 *187.0608* C6 H9 N3 O4 1 31707 41684 1 1 1 34438 1 25832 26956 44452 44222 31184 33458 32782 34669 1 44590 1 30161 32205 30769 1 1 34813 35436 35761 35611 36202 38359 38088 38470 1 32563 34303 33470 1 1 1 1 1 1 1 33838 1 1 1 33870 34201 35021 1 31370 1 1 1 1 1 1 1 1 32268 31703 37067 36646 52282 52226 1 1 41450 42843 30192 1 45397 44967 36804 37566 33156 34204 1 24837 28649 29662 41127 40630 1 1 60874 60650 1 27420 187.0608 *187.0634* Indoleacrylic acid 18054 19523 29332 29573 20924 20536 24643 23984 18678 18414 36872 35112 32606 30818 24256 26822 30052 30335 24314 23534 23502 22928 18892 19929 19613 19451 17253 17868 18461 19324 28269 27954 22777 22540 17916 17856 12517 11790 27311 28074 33011 33441 24084 23183 19055 19478 23750 23083 21888 20952 21933 22168 34993 35121 19304 19690 26389 25337 19518 20799 22639 20874 24920 26205 37564 37769 19133 19492 26450 26364 23861 23792 39309 38534 27067 27791 24584 24307 21788 21935 21756 21123 21418 21320 19458 20230 38485 39549 19173 19465 HMDB00734 C00331 187.0634 *187.0634* Indoleacrylic acid + 4.1127377 6821 6740 3132 2824 1 1311 11787 11234 4737 4731 2689 2225 4528 4678 32483 32383 10532 10709 41748 41471 9044 8592 8202 7683 2555 2499 6952 6464 7152 7902 1 1 9133 9725 1 1 17168 17014 1136 1 12846 12385 7480 7982 1 1 9557 9738 1607 1512 3427 3379 8890 9541 4110 5194 1 1 8444 7943 1 1 4791 4630 2200 2191 7353 7578 1134 1 3915 3968 2530 2528 3240 2624 3816 2675 1327 1863 3622 3154 1 1 1085 1 9339 8562 1 1 HMDB00734 C00331 187.0634 *187.0883* 187.0883@1.0210359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4047 3587 1 1 1 1 1 1 1 1 1 1 187.0883 *187.0961* 187.0961@1.050021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1199 1 1 1 1 1 1 1 1 1 1 187.0961 *187.0983* 187.0983@1.2350465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6014 6102 1 1 1 1 1 1 1 1 1 1 187.0983 *187.1078* 187.1078@0.9936147 1 1 1 1 1 1 1 1 1 4664 1 1 1 1 1 1 2839 1 1328 1 1 1 1357 1 1 1 1 2980 1 1 1 1239 3643 1 2369 1 1861 2126 1125 1 3996 4236 1 1 1797 1579 5361 1199 1 1489 1146 1 1 4049 1107 1 1 1 1339 4946 1138 1 1 5897 1 1 1 1 1 1 2462 2062 1 1 1 1 1503 1375 1 1 1 1 1 1 1513 5181 1 1 1267 1567 187.1078 *187.108* 187.108@0.99280345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3353 1 1 1 1 1 4872 1 1 4716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5843 1 1 1 1 1 1 1 1 1 1 1 2653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.108 *187.1135* 187.1135@1.206982 4999 5202 2214 1 2311 1 1 1 1 1 1 1 1 1 1 1 3384 1 1 1530 1865 1917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2305 1 1 1 1 1 1 1 1 1 1 187.1135 *187.1203* 8-Amino-7-oxononanoate 1041 1057 1 2358 1 3138 4115 4249 4361 1004 6704 7802 3258 2929 3863 3389 1292 1092 3601 3066 1933 1901 2216 2216 2306 2655 5373 6045 3196 2756 5929 5639 2567 3027 2892 2751 4501 4242 1 3531 3887 1194 1061 4412 2032 2548 3366 3410 4986 4606 3820 3934 2946 2761 3462 1036 3223 3350 2157 2598 5284 4746 2525 2605 5465 5716 4540 4287 4401 4644 3210 3560 2885 3316 2760 2432 3679 4290 1 1 2076 1763 2898 3007 3561 3002 8442 8744 1575 1760 C01092 187.1203 *187.1207* 187.1207@1.1901462 1 1 1 1 1 1 1 1 1049 4468 1 1 1 1 1 1 1 3769 1102 1622 1 1 1 1 1 1 1610 1308 1 1 1291 1251 1 1 1 1 1238 1337 1 1 1 4122 1 1 1 1 1 1 1 1 1 1 1 1 1 3089 1 1 1 1 1091 1118 1 1 1387 1632 1 1 1340 1229 1 1 1 1 1 1 1425 1123 1 1 1 1 1 1 1 1 2695 2968 1 1 187.1207 *187.1207* 187.1207@5.528044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.1207 *187.121* 8-Amino-7-oxononanoate + 5.501855 1897 1856 1280 1862 2131 1889 2166 2578 1 2339 1815 1813 2247 1849 2111 1813 2062 1982 2457 2096 1999 2161 1964 1845 1831 1846 1 1497 1887 2508 2047 2192 2262 2144 1955 2642 1835 1095 1902 2185 2003 2007 2197 2074 1 1 1362 1 1 1 1 1 1555 1 1 1 1659 1 1 1 1 1 1 1015 1 1517 1 1 1 1 1 1536 1381 1501 1155 1559 1497 1597 1 1618 1424 1421 1 1 1592 1 1 1 1634 1352 C01092 187.121 *187.121* 8-Amino-7-oxononanoate + 4.7958198 1 2013 2000 2120 3612 4327 1017 1 1 1706 1850 1726 1 2426 3172 3326 1187 1688 4594 4358 1 1 1 1 1 1 2819 2904 2670 2378 1 1 19773 20411 1254 1 3905 3595 3527 3051 1578 1 2273 2253 2925 3236 1 1 1 1 1 1 1 1 1610 1 1 1 2977 2829 1 1 1782 1 1 1 10682 10999 1 1 1 1 1176 1 1 1 1 1 1 1889 1 1 1 1 1 1 1 1473 1 1 C01092 187.121 *187.1554* 187.1554@3.751705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.1554 *187.1683* 187.1683@0.94428045 1567 1 1 1 1 1 1 5074 1 1 1 1 1 1 1453 1 1 1 1 1 1 1 1 1 1 1077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1722 1 1 1 1 1 187.1683 *187.1684* N1-Acetylspermidine 20288 22740 23888 23440 12690 11170 18042 12897 17939 18280 20279 20765 17146 16217 22856 21073 14663 15823 14694 15013 19197 19054 9800 10197 27537 25063 21007 20932 11927 12774 16253 16714 21949 19918 15560 15910 10498 10408 14597 15530 22806 23680 20081 19842 10618 15690 13849 15332 13745 14606 18281 19995 18058 17596 15134 16138 13369 15828 17486 13768 14159 14094 18531 19994 14783 13922 14343 15863 13510 12332 18915 17833 18761 17616 20086 18983 14375 13504 7756 8782 9747 9649 19269 18596 15256 16718 16214 16632 12055 11732 HMDB01276 C00612 187.1684 *188.0242* 188.0242@0.7729733 1369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0242 *188.0305* C11 H8 O S 1 1249 1313 1604 1438 1680 1262 1 1521 1472 1528 1 1 1684 1515 1634 1684 1441 1625 1 1483 1 1862 1 1618 1793 1635 1 1900 1 2064 1765 1970 2023 2063 1952 1954 2298 1926 8601 1703 2170 1915 1938 1743 1915 1 1854 2002 2330 1918 1904 2124 2119 1939 2457 1927 1965 1895 1795 1790 2139 1987 1 2088 1 1972 2666 1 1 9479 9690 1 1 1 1 2389 1 23473 2294 2325 1 2526 1 8906 1 1 1 9112 2249 188.0305 *188.0321* 188.0321@0.7677423 1 1 1 1 1 1 1 1579 1 1 1 1 1 1 1 1 1 1 1 1402 1 1 1 1 1 1 1 1884 1 2247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2034 1 1 1 1 2300 2513 1 1 1 2314 2450 2249 1 1996 1 1 1 1 1 2798 1 2185 2348 2196 1 1 188.0321 *188.0334* C11 H8 O S + 0.8816153 2270 2524 2315 3124 2212 2562 3958 4037 3630 3246 2730 2565 2878 2348 3243 1816 1998 2499 3296 3879 2910 2518 3824 4043 2213 2746 3876 3705 2552 2270 11358 10627 2574 2523 2805 2988 4180 4405 8067 1785 2332 2656 3336 2663 8053 9087 3102 3539 2426 2937 3866 6748 2889 3495 2990 2745 1835 2118 2825 2832 3916 4041 2589 2779 2967 2537 3003 3619 4254 3895 2188 2316 2336 2607 2866 2267 3705 4164 2128 22897 3522 3943 3163 2716 2300 5138 2423 2368 2610 9289 188.0334 *188.038* 188.038@0.89601815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.038 *188.0661* C12 H12 S 4165 4408 3975 3927 4116 1 4739 1 5058 5267 3941 3858 6170 7120 3983 3144 3670 4179 4987 4888 5215 5466 4353 4953 3235 3215 3690 3632 3518 3666 4074 4238 1 3595 1113 3644 4161 4349 2806 2130 4761 5124 3959 1 4212 4877 3798 5586 4984 5535 3892 3498 1 4217 3116 3733 1752 4599 3750 1 5242 4972 3894 4538 5349 4888 4396 4248 3590 3532 5520 4848 1420 3422 3482 2999 3653 3708 1 7190 3729 4181 3745 3322 4753 4469 3039 1235 5181 4993 188.0661 *188.0669* 188.0669@1.1078321 1 1 1 1 1 3752 1 4491 1 1 1 1 1 1 1 1 1404 1666 1540 1 1 1 1104 1 1 1 1 1001 1 1 1 1 3528 1 3810 1 1 1 1 1398 1 1 1 3591 1 1 1210 1231 1083 1 1 1 5036 1 1 1230 2586 1 2201 2787 1 1 1181 1 1333 1430 1 1234 4576 4865 1151 1461 3577 1 1333 1289 1570 1380 7417 1014 1 1253 1 1 1 1 1282 3049 1233 1586 188.0669 *188.0693* 188.0693@4.429266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1576 1459 1 1 1 1 1 1 1 1 188.0693 *188.0714* Ethyl Oxalacetate 4704 4270 4256 4337 1 3252 9013 7550 4189 5063 5648 6075 4364 3685 6128 1 11292 10395 13229 12026 5883 5679 8596 1 2836 3768 6583 5831 3759 1 5704 1 7042 6075 6839 6314 1 4768 1 1 1 5560 3379 3335 4367 5910 8647 9974 8691 7578 9001 8752 5397 1 10771 9350 4033 5235 19319 21080 5276 1 7145 7419 6611 7440 4235 4452 32724 29201 8353 8253 7087 1264 10087 9726 8568 9031 10720 12122 9201 9380 3591 3271 4764 4316 6743 7606 8008 7153 HMDB01998 188.0714 *188.0717* 188.0717@3.0066671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1440 1089 1 1 1 1 1 1 1 1 1 1 1 1 188.0717 *188.0718* 188.0718@1.2029086 1 1 1 1 2662 1 1 1 1 1 1 1 1 1 1 7002 1 1 1 1 1 1 1 10714 1 1 1 1 1 4137 1 6064 1 1 1 1 1 1 4221 1 6951 1 1 1 1 1 1 1 1 1 1 1 1 5385 1 1 1 1 1 1 1 6084 1 1 1 1 1 1 1 1 1 1 1 8110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0718 *188.0768* 188.0768@1.2029989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0768 *188.0775* 188.0775@2.0511053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1004 1 1 1 1 1 1 1 1 1 1 1 188.0775 *188.0779* 188.0779@2.0135965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2061 3389 1 1 1 1 1 1 1 1 1 1 188.0779 *188.0799* 188.0799@2.1121104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4421 1 1 1 1 1 1 1 1 1 1 1 188.0799 *188.082* 188.082@1.2090089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.082 *188.0962* 188.0962@1.226754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3771 4434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0962 *188.1035* 188.1035@1.2268565 1 7750 1 1 1 1 1 1 8247 8216 1 1 1 1 1 1 1 1 1 1 9531 9728 1 2558 1 1 1 1 5091 4631 1 1 1 1 1 1 3155 1 9815 8830 1 9855 1 1 6606 6271 8856 1 1 1 1 1 1 1 1 1 1 1 1 1 9302 1 1 1 1 1 1 1 1 10029 7938 1 1 1 1 1 1 1 4921 3940 4512 4401 1 7740 1 10273 1 1 7246 6525 188.1035 *188.1055* 188.1055@1.2265129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7075 1 1 1 1 8813 7709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9231 1 1 1 1 1 11259 1 1 1 1 1 1 1 1 1 1 1 1 188.1055 *188.1076* C7 H16 N4 S 6901 1 11749 10841 9059 9671 8244 10195 1 1 11337 14091 8913 11144 9585 8851 9073 10217 12334 12591 1 1 1 1 11831 9938 14765 14247 1 1 8970 10663 1 11081 12343 11163 1 1 1 1 9475 1 13752 14813 1 1 1 1 6699 8185 8178 8868 1 1 4684 4861 6466 5322 1 1 1 10463 10440 7186 9138 10076 5217 5029 9370 1 1 1 10463 9865 12450 12171 8124 1 1 1 1 1 9636 1 10285 1 15537 16284 1 1 188.1076 *188.1135* 188.1135@1.0788444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1831 1 1 1 1 1 1 1 2604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2325 2113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4852 3641 1 1 1 1 1 1 1 1 1 1 188.1135 *188.1282* Homoarginine 4522 4303 6755 5928 12799 14779 10217 10950 1 1989 8204 7316 2600 2685 2825 1 10274 9577 6804 7085 7177 7234 2614 2730 1 1 9492 9625 1531 1 11832 10692 9286 9278 7273 7536 9844 9722 10576 11786 20590 19915 11021 10351 4348 5888 10070 9221 11436 10945 4214 4478 6841 7517 3546 3517 8419 9516 3364 3482 11157 11922 11381 11362 9649 9547 13530 14890 5525 5011 3592 3623 5518 5273 8046 9029 5385 5744 5672 1 8403 1 1 3350 14916 13968 11882 11931 1 1 HMDB00670 C01924 188.1282 *188.1333* 188.1333@0.9616619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2738 1 1 1 1 1 1 1 1 1 2532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2837 1 1 1 1 1 1 1 188.1333 *188.1351* C6 H16 N6 O 14735 16685 10968 12000 14373 8061 1 1 2658 1 1 1 7691 9010 11863 10393 1 1 1 1 1 1 1 1 2718 12173 1 1 1 2130 1 1 1 1 11813 1 1 3544 6296 1 1 1 1 1 7406 6986 1 4152 1 1 9414 9729 19953 18964 13394 11071 10303 9713 9691 9818 11037 1 10830 1 1 1 5307 1 1 1 1 1 1 13714 1 10535 9493 6611 1 1 1 1 21199 18677 1 1 1 1 1 1 188.1351 *188.1432* 188.1432@0.89618593 1 1 1 1 1 1 1 1 1 1 3067 1 1 1 1 1 1 8150 1 1 1 1 11898 1 23511 1 1 1 1 1 1 1 1 3556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7323 1 1 1 30159 1 11759 1 1 1 1 1 12472 10659 1 1 1 1 1 1 13804 1 188.1432 *188.147* 188.147@0.89011633 1 1 1 1 1 1 16688 1 12940 12983 1 1 1 1 1 1 10686 1 8619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20958 1 1 1 1 1 1 15724 12865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.147 *188.1519* 7,8-Diaminononanoate + 0.86831826 18319 19237 15205 15073 21807 28628 21743 25625 15834 13234 29085 34487 19516 18927 17594 16415 18582 21594 22371 29084 31341 32571 13279 25245 1 10136 27140 26361 24251 25571 34685 33341 22895 22252 17228 26800 12398 18098 22104 23071 36181 35563 16184 22840 17486 17546 21093 14436 20568 23814 17811 17311 13477 12406 16756 17598 14532 14290 19816 20206 20397 1 13662 1 21569 25737 21623 18581 17919 22236 15713 15387 1 17287 15179 17023 16288 19431 19843 21912 17670 15663 10321 12222 27449 28291 27878 28492 16593 27253 C01037 188.1519 *189.0192* 189.0192@3.5926719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1829 1897 189.0192 *189.0387* 189.0387@3.682746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3152 3031 1 1 1 1 1 1 1 1 1 1 189.0387 *189.0649* 189.0649@3.0441499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1416 1 1 1 1 1 1 1 1 1 1 1333 1 1 1 1701 1 1 1 1 1 3538 1 1 1 1 1 1 1 1853 1842 1763 1543 1 1666 1938 1 1 1993 1 1 1 1 1 1 1 1 1247 1 1 1 1038 1 1 1 2140 1133 1029 1 1 1 1 1 1482 1 1 1 1 1 1 1 1 1 1 189.0649 *189.0656* C7 H12 Cl N3 O 1388 1138 1 1 2120 1146 2576 1957 2030 1943 1971 2320 3314 2733 1 1 1 2241 2754 2348 1617 1 1999 2487 1 1 1037 1 1314 1599 2971 1 2318 3051 1274 1 3806 1 3163 3381 3454 3153 2317 2335 2738 1 1 1 1 1712 1 1 2083 2562 1 1406 1453 1 2769 2597 1930 1614 2450 1 1325 1237 1 1 2391 1450 3489 1 1 1 1 1106 2489 2019 3427 1 2817 2833 1243 2395 3036 2525 1400 1169 2824 3059 189.0656 *189.0792* 189.0792@4.5266595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22636 21848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0792 *189.0801* 189.0801@5.1292086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2249 2174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0801 *189.0809* 189.0809@1.2440038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0809 *189.0832* 189.0832@1.2490329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1025 1 1 1605 1 1 1 1508 1133 1 1869 1 1 1 1 1 1 1 1 1 1 1925 1 1 1 1379 1 1 1 1 1 1 1 1 1419 1 1 1 1 3776 2556 1 1 189.0832 *189.0842* 189.0842@3.7406442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1783 2850 1259 1 1 1 1 1 1 1 1 1 1 5115 5218 2043 2161 2462 2374 1 1 1 1 1 1 1 1738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14147 14554 1 1 1936 1709 1 1 2754 2712 1 1 1 1 1 1 1 1 1333 2626 1934 1994 2050 1236 189.0842 *189.0913* 189.0913@1.2429192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2007 1 1 1 1 1151 2307 1 1 1 1 1 1 1 1 1 1 1 1092 1 1 1 2714 2749 1 1 1 1 1653 1 1 1 1 1 1066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2556 189.0913 *189.0956* 189.0956@1.2360256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5156 1 1 1 1 1 1 189.0956 *189.0995* 189.0995@2.3201115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2564 1 1 1 1 1 1 1 1 1 1 189.0995 *189.0999* 189.0999@1.1405416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2441 2585 1 1 1 1 1 1 1 1 1 1 189.0999 *189.1001* 189.1001@1.8410879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1822 1 1 1 1 1 1 1 1 1 1 1 189.1001 *189.1005* 189.1005@1.2391343 1 1 1 1841 1 1 1 1 1 1 1 1 2023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2293 1 1 1 1 1 1 2988 1 1 1 2645 1 1 1 1 1 1 1 1 2527 1 12319 13438 1 1 1 1 1 1 1 1 1 1 189.1005 *189.1069* 189.1069@1.238356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4324 1 1 1 1 1 2484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.1069 *189.1305* 189.1305@0.9013486 1 1 1 1 1 1 1 1047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1046 1 1 1 1 1 1 1 1 1 1 1 1687 1 1276 1 1 1 1 1 1077 1101 1 1 1 1 1 1 1 1 189.1305 *189.138* 189.138@4.2374935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1343 1775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3760 9960 1 1 1 1 189.138 *189.148* 189.148@0.87850636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.148 *189.1504* 189.1504@0.87359047 1 1 1 1 1 1 1 1 1 2255 1 1 1 1 1 2676 1 1 1 1 2138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1441 1 2412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.1504 *190.0146* 190.0146@1.2419987 1 1 1 1 1 1 1 1 1 1 1 1152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0146 *190.0338* 190.0338@0.85710657 1 111767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113763 1 1 104575 1 1 1 1 1 1 53356 1 1 1 1 1 1 1 1 1 1 1 1 140530 1 1 1 31455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105669 1 1 1 1 1 1 93669 96869 1 1 1 44479 1 1 190.0338 *190.0345* C4 H6 N4 O5 117602 1 89674 85350 100711 103358 110288 109341 125777 127027 122084 118795 86015 93705 98434 100356 112455 108901 1 90297 104078 96621 88205 92973 119425 119089 86269 87948 116406 1 93143 95868 1 105025 101759 99982 125648 122144 88684 1 114101 107550 97525 97963 94378 95071 130715 125808 109053 110325 84410 120332 1 139594 117931 118849 62424 98661 118076 119011 139452 143684 115220 112886 107397 104095 83265 86284 94881 95462 82828 82642 111131 114735 102126 1 107205 106660 90082 94352 95037 100031 1 1 99879 99614 126204 89264 99966 97744 190.0345 *190.0504* 190.0504@1.3595783 1 1 1 1 1 1089 1 1 1173 1 1 1 1 1 1 1 1 1 1 2225 1 1 1 1 1 1 1 1 1 1 1 2531 1 1 1 2766 3164 4495 2061 2132 1591 1 1 1 1 1 2542 2690 1 1 1 1 2842 3191 1 1 1 1 4019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2762 1 190.0504 *190.0542* 190.0542@1.7712882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2199 1271 1 1 1 2070 190.0542 *190.0549* 190.0549@1.3429577 1 1 1 1 1 1 1220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0549 *190.0631* 190.0631@0.82250977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20692 1 1 24118 190.0631 *190.0684* C8 H14 O3 S 16296 19257 20711 24932 24609 20534 24709 26770 22615 19423 28459 30266 25780 22681 17139 17619 21167 26369 19704 22026 16003 1 25170 22151 24536 23801 22369 19597 1 13063 23473 16239 20791 19003 23486 22351 20459 1 16476 20966 23366 20689 31008 31901 25508 27311 27694 31002 28667 26096 22705 23192 19042 20859 20620 24709 26526 24372 13504 1 26279 23888 20819 23654 20342 17778 20773 17478 26686 27914 15134 17172 30633 26629 19408 14263 15851 15879 22784 20873 15055 14031 20018 16234 23164 20719 1 17879 18378 1 190.0684 *190.0743* 190.0743@3.306045 1 1 1 1 1 1 1 1 1 1 1419 1 1 1082 1 1 1 1 1 1018 1 1065 1 1 1 1 1454 1666 1 1 1284 1 1 1067 1 1 1 1247 1 1 1102 1 1 1 1 1 1 1 1 1 1 1 1510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1017 1 1 1 1 190.0743 *190.1284* 190.1284@0.88226897 2349 1 1 1 2422 2291 2013 2577 1 1 1838 2370 1 1 1959 1941 2373 1 1 1 2473 2136 1 2134 1 1 1 1 1852 2029 2324 2830 1 1 1 1 1822 1858 1 2177 1 1 1 1 2067 2342 1866 2094 2059 1 1 1 1 1 1 1 1 1 1 1 2143 2124 1 1 1 1 1 1 1 1 1 1 1 1 1662 1 1 1 1 1 2135 2116 1 1 1 1 1 1 1 1 190.1284 *190.1416* 190.1416@0.9575329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1372 1325 1 1 1 1 1 1 1 1 1 1 190.1416 *190.1498* 190.1498@0.84986657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1850 1 1 1 1 1 1 1 1 1 1131 1 1 1 1 1 1 1 1 1 1 1 1 1 1093 1 1 1646 1446 1 1 190.1498 *190.1564* 190.1564@7.719117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1709 1618 1 1 1 1593 1 1 1 1 1 1 1 1 1653 1 1 1 1 1 1 1 1 1039 1 1 1 1 1 1 1 1 1 1 1 1 1396 2281 1 1 190.1564 *190.1714* 190.1714@9.650298 1 1 1 1 1 1 1913 2517 1 1 1 1 1 1 1 1 1 1 1 1 1255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.1714 *190.1717* 190.1717@9.597513 1 1 1 1 2128 1998 3666 3360 1 1 1 1 1 1 1 1 1 1 1 1 1 1664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.1717 *191.0172* 191.0172@1.1010078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.0172 *191.0549* 191.0549@0.89998007 1 12037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.0549 *191.0588* 191.0588@0.88661957 1 1 1 1 1 1 1 1 1 1 1 1 1 3386 2661 1362 1 3748 1 1 1 1 1 1 3847 1516 1 1 1 1 1 1 3546 4000 1 1 1 1 1 1 1577 3111 1 3460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4195 1 1 1 1 1 1 1 1 1 1 4655 1 3406 1 1 1 1 1 1 1 1 3627 1 1 3598 1 1 1 1 1 1 191.0588 *191.0635* C7 H13 N O3 S 1 1 1 3655 9486 8957 6139 6731 1 1 7034 8278 3030 1 1 1 1 1 4103 5407 6481 8162 1 1 1 1 1 1 3599 3909 8747 8721 1 1 4084 4262 1 1 4235 3457 1 1 3478 1 1 1668 4503 5049 1 5373 4053 4134 6653 6806 4527 4008 4862 5459 1 4218 6422 6124 3888 3918 1 3891 11317 1 5059 1 4013 1 5310 4752 1 3957 1 1 1 1 1 1 3527 1 5279 5711 5996 7003 1 3646 191.0635 *191.0648* 191.0648@3.9415734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1172 1251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.0648 *191.0841* 191.0841@0.9360329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26798 1 1 1 1 1 1 1 1 1 1 191.0841 *191.0973* 191.0973@4.1491 1 1 1 1 2458 3172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3117 2851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1336 1 1 1 1 1 1 1337 1241 191.0973 *191.098* 191.098@4.2977266 1 1 1 1 1448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.098 *191.1004* 191.1004@4.059318 1 1 1 1 1802 2035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2297 1 1071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1906 2916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21681 21761 1 1 17591 18015 1 1 1 1 1 1 1 1 1 1 1 1 34297 1709 191.1004 *191.1041* 191.1041@4.2798634 1 1 1 1 1 1 1 1 1 1 1 1 1962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.1041 *191.1314* diethyltoluamide 1 1191 1 1 1 1 1289 1245 1 1 1 1 1 1080 1 1 1 1 1 1 1168 1205 1 1193 2215 1775 1183 1250 1138 1406 1 1 1 1226 1169 1306 1176 1173 1 1313 1 1 1 1041 1 1 1035 1394 1 1 1496 1229 1794 1608 1659 1506 1184 1114 1236 1 1 1 1 1 1 1 1 1155 1007 1507 1 1 1 1064 32620 32804 1 1 1 1 1 1 1 1 1 1153 1147 1 1245 1168 191.1314 *191.1505* 191.1505@1.29701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.1505 *191.1515* C9 H21 N O3 + 1.6091526 8137 6132 6328 6265 1 7221 1001 6516 7966 7827 4235 1 4374 4750 8059 8773 5255 6055 8601 7922 6302 2824 6320 7919 6280 1 1 1 13861 13839 7057 6864 4140 1 5544 4920 5435 6695 7780 6933 7349 5230 9458 15234 10292 12514 5420 6653 5990 7792 7863 8034 6263 4849 7238 8477 2482 7732 9488 1 3953 1 7237 7362 7824 6540 7688 1626 6766 6450 1913 10481 1 1 4988 7748 7050 9987 9047 1 5746 6062 5895 1 6198 6481 5679 1 5526 1 191.1515 *191.1518* 191.1518@1.5215024 1 2171 2478 2263 1382 1 1004 1 1 1 1 2183 2121 1 1019 1 1 1 1 1 1 1028 1 1 1 1287 1468 1 1 1312 1 1 1685 2963 1623 1410 1 1 1 1 1 1 1150 1 1 1 1 1 1390 1 1 1 1174 3596 1 1 1055 1446 1438 2313 1 1 1 1 1 1 1 1063 1 1 2308 1 1177 1 1 1 2730 1 1 1763 1 1 1 3054 1 1 1 1 1768 1382 191.1518 *191.1519* C9 H21 N O3 17131 16629 19531 19097 16164 16183 13474 13414 16082 16894 13342 13214 15329 14906 21273 19777 13789 14576 15868 14786 13596 13770 13571 13759 12716 11858 32516 31788 29520 30317 16169 15202 19448 20275 14268 13798 13875 15267 14430 13979 17423 16077 26000 26667 23404 22015 13809 13546 14884 15144 14525 15202 14130 14735 13743 12423 19176 18272 19545 19001 12532 12052 15970 14964 16291 15791 14162 15043 12698 12541 19543 19593 9429 9677 13362 13294 17642 19763 17782 18110 12129 12179 15183 14471 12166 12338 9928 10393 15158 14812 191.1519 *191.1521* 191.1521@1.5727642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3162 5958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4356 1 1 1 1 1 1 1 1 1 1 1 1 1 1660 1 1 1 1 6755 1 1 1 2489 1 1308 1 1 1 1 4423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.1521 *191.1522* 191.1522@1.6277744 1 1 1 1 6615 1 5425 1 1 1 2223 4461 1 1 1 1 1 1 1 1 1 1 1 1 1 2164 11047 11858 1 1 1 1 1 6655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3304 1 1 7544 1 1 1215 1 1 1 1 3379 1 1 6543 1 1 1 1878 1 1 1 1 8415 1 1 1 4845 1 1 1 1 1 5633 191.1522 *192.0272* 2,3-Dioxogulonic acid 52622 56327 91543 96515 61718 60735 53813 56020 68162 69447 76322 78107 105851 106657 100000 96497 60599 63067 94386 80072 90995 96738 37172 36543 112015 114339 108346 106532 47221 45811 58921 66566 65782 77612 81086 72180 56129 62484 82698 96987 72009 68974 133256 125419 60289 61270 64426 66140 49857 47013 93077 96641 81443 81018 42320 47245 96250 96564 55367 55139 85048 85280 64160 61499 57727 66755 46068 51782 61020 64743 57801 59129 85500 85490 130412 133012 101017 99686 54907 56004 39655 41005 128179 127696 74409 76798 126638 128469 52926 57749 192.0272 *192.0277* 192.0277@1.3594259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1461 1 1 1 2117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1406 1 1 1 1 1 1 1 3740 1 1 1 1 2315 1 1 192.0277 *192.0312* 192.0312@0.8343367 1 1 1 1 1 1 1119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1114 1 1 1 192.0312 *192.0366* 192.0366@3.391117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0366 *192.0379* 192.0379@3.6980202 1 1 1 1 1 1 1 1 1 1 1488 1379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0379 *192.0657* 192.0657@0.9323849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1395 1 1 1 1 1 1 1 1 1351 1 1 1 1 1 1 1 1 1 1 1 1436 1 1 1 1 1 1 1 1825 1 1 1 1 1 1966 1 1 1 1297 1429 1 1 1 1 1 1 2090 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0657 *192.0691* 192.0691@4.3081827 1 1 1 1 1 1 1 1 1 1 1 1 2368 1972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0691 *192.0775* 192.0775@3.2300835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0775 *192.0809* C8 H16 O3 S 1802 1932 1 2025 1621 1 1842 1688 1854 1 2057 1 1 2127 1 1686 1 1841 1 1 1 1589 1888 1 1 1682 1971 1763 1886 1723 1837 1 2026 1865 1 2188 1825 1871 1923 1814 1899 1804 1971 1 1763 1 1 1 1628 1 1465 1 1 1 1 1 1780 1663 1 1884 1507 1 1 1 1607 1914 1 1 1 1788 1 1 2034 1 1824 1 1 1 2328 2477 1 1641 1866 1 1 1 1 1 1 1582 192.0809 *192.0811* 192.0811@0.937032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128133 134368 1 1 1 1 1 1 1 1 1 1 192.0811 *192.0897* 192.0897@2.7394633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3400 3606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0897 *192.0897* 192.0897@3.5733366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7768 7152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0897 *192.0898* 192.0898@2.786462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1722 1522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0898 *192.09* 192.09@2.202199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 704669 861271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39680 33911 1 1 4126 3275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.09 *192.0902* 192.0902@3.015997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7315 7186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0902 *192.0903* 192.0903@3.0630016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13889 12771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0903 *192.0904* 192.0904@2.6974645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3983 3283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0904 *192.0905* 192.0905@2.358502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0905 *192.0935* 192.0935@4.1512766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1637 1694 1 1 1 1 6338 6785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2065 1848 1 1 1 1 1 1 192.0935 *192.0991* 192.0991@3.9673169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2913 1 1 1 1 1 1 1 1 1 1 1 192.0991 *192.1233* 192.1233@0.81201184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.1233 *192.1252* 192.1252@5.564499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1891 1678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.1252 *192.1309* 192.1309@3.6161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.1309 *192.1331* C5 H16 N6 O2 1891 1 1689 1684 8747 1 1213 1599 1390 1348 1522 1160 1 1008 2889 1362 2096 1 1 2028 1591 1721 1 1672 1774 1885 1455 3060 1567 1602 1749 1376 1609 2708 2610 1433 1430 1660 1 1710 1300 1 1 1014 1453 1383 1 3801 1 1 20217 2608 1 1883 1 1108 1640 1 1211 1 1 1 1 1 1 1 1 1768 1 1 1 1 1 1 1126 1 1 1472 4206 3280 1 1 1 1 1 1129 1 2586 5004 1 192.1331 *192.1336* 192.1336@5.249528 1 1 1 1 1 1 1 1 1 1061 1 1 1 1 1 1000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1323 1162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.1336 *192.1357* 192.1357@4.603229 6337 12775 4692 9261 1639 6118 11506 3061 5553 4952 5806 2529 13659 12703 10691 10482 4635 1 8534 7263 5756 9610 7725 4310 9186 7671 9379 2277 7922 11113 7381 8017 10328 12717 12145 12029 7706 9830 5121 5816 7521 4846 5621 6156 5695 4896 9004 3296 3862 6412 56181 59000 6977 4421 5974 3944 4573 4529 12205 7569 7601 6561 5444 5618 7467 9390 7545 4174 3679 6476 5235 5247 2416 5637 8584 8179 7061 6743 12033 16443 7095 4484 6501 5450 6754 4949 8335 1 83520 76967 192.1357 *192.1361* 192.1361@4.5834494 1 1 1 1 1 1 1 3533 1 1 1 3297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16328 20535 1 3406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42728 43312 192.1361 *192.1363* 192.1363@4.5251646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1443 1 1 1 15325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2533 5612 192.1363 *192.1363* 192.1363@4.6850476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2067 1 1 1 1 1 1287 1 1 1 1 1 1 1 1 3332 1 1 1 2104 1 1 1 1 1 2231 1 1 1 1 4853 2430 1 1 1 1 1 1 2493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1963 1 1 36285 24964 192.1363 *192.1371* 192.1371@0.93201476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.1371 *192.1467* C8 H20 N2 O3 1584 1700 2053 1 2604 2309 2328 2546 1062 1 2601 2367 1007 1045 1061 1 2374 2719 2223 1877 1927 1833 1 1 1 1168 3532 3350 1 1 2007 1869 2894 2838 1768 1856 2530 2857 3258 3168 6497 6177 3841 3316 1678 1280 2002 2155 2301 2331 1 1 1717 1662 1 1 2543 2577 1 1 3341 3451 2239 2201 3137 2852 2016 1794 1799 1415 1 1285 1628 1483 2134 2109 1681 1675 8024 8873 1439 1639 1104 1 2150 2368 4108 3615 1687 1879 192.1467 *192.2064* 192.2064@2.2419455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.2064 *192.2066* 192.2066@2.180976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4575 4631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.2066 *193.0611* 193.0611@1.143991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 193.0611 *193.0725* 193.0725@3.4900734 1 1 1 1 1 1 1818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2536 1 1008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 193.0725 *193.0741* 193.0741@3.6501603 1 1 1 1 1 1 1 2054 1 1 1 1 1 1 1 1 1222 1269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1365 1 1 1 1 1 1 1 1 1 1 1 2726 1916 1 1 1 1 1 3609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1571 193.0741 *193.075* 193.075@4.896871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3479 2770 1 1 1 1 1 1 1 1 1 1 193.075 *193.0753* 193.0753@4.730854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4524 4286 1 1 1 1 1 1 1 1 1 1 193.0753 *193.0811* C4 H11 N5 O4 159186 170874 171084 170834 163664 162789 166058 167311 175616 175766 164230 167819 167735 174356 159255 172434 168025 169807 170096 169800 166791 165945 177621 177617 163829 163084 166196 164153 161525 165131 168968 172814 175438 174811 175878 171357 175693 171395 171607 173053 171692 168925 174791 176795 169196 173754 178087 176972 171726 169825 151199 156067 169836 170525 159704 160444 164473 160644 169501 169068 165536 164730 166963 168400 168385 170231 162270 163284 165063 168734 163159 163615 160738 163856 165529 166762 164591 166717 165389 164818 156894 156716 171051 169064 163719 158727 163930 164394 162774 163513 193.0811 *193.0857* 193.0857@3.0651855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2007 2861 1 1 1 1 1 1 1 1 1 1 193.0857 *193.0948* C7 H15 N O5 1511 1614 1694 1556 1201 1268 1936 1655 1518 1 1160 1240 1 1915 1623 1535 1588 1728 1906 1657 1617 1384 2388 2419 1126 1087 1273 1 1765 1732 2456 2047 1941 1446 1919 1799 2874 2213 1 1 2018 2169 2036 1876 2372 2945 1842 2116 1852 1945 2365 1935 1885 2190 1231 1415 1580 1140 2457 2493 1898 1 1807 2012 1530 1334 1 1043 1592 1613 2868 2945 1463 1525 1 1188 1991 1844 1750 2266 1927 2207 1785 1560 2740 2497 1207 1084 2908 2314 193.0948 *193.0985* 193.0985@0.8850082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 193.0985 *193.1075* 193.1075@3.9770129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 193.1075 *193.1076* 193.1076@5.2176886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3301 1 1134 1995 1651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 193.1076 *193.1077* 193.1077@5.170197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2118 1 1 1 1 1 1 1 1 1 1 1 2601 1 1 1 1935 1 8372 12710 2283 1 1 3967 1 3300 1 3462 3964 4458 7763 7265 1 1 4004 1 1 1 1 11904 3105 2111 1 1 1 1 1 1 1 1 1 1 2455 4997 1 1 1 1 1 1 1 1 1 1 1 1 2621 1 3196 1 1 1 1 1685 1 1 193.1077 *193.1993* 193.1993@3.2373555 2177 2390 2363 2189 1 2317 1901 2139 2431 2192 1796 2429 2120 2484 2462 2496 2414 2332 2080 2006 1806 1947 1885 1988 1348 1 2126 1871 2296 1822 2158 1 2238 2273 2522 1 2660 2133 2330 1999 1963 2306 1 2018 2491 2223 1937 2332 2421 1 1 2242 2291 1882 2327 1975 2116 1605 1 2020 2206 2093 2192 2218 2314 1 1318 2065 1 1914 2381 1727 1 2249 1 2415 2288 1 2248 2031 1 1230 1 1726 1 1 1761 1816 1878 1 193.1993 *194.0582* 194.0582@2.9696224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51463 51107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.0582 *194.0816* Caffeine 1 1 1 1 970723 952751 252783 243645 829709 802362 488226 477121 2228425 2260426 303424 293500 1 1 225257 240135 292655 283868 598784 601200 1 1 1 1 551717 524874 1 1 444061 435708 261035 253743 75037 76596 225092 223788 643107 609639 1 1 328207 318160 1 1 1 1 179453 174555 1563599 1588384 245950 235661 425153 443238 569075 592716 96036 95723 1 1 519510 527534 1 1 225631 214895 702888 710107 540686 545309 1032463 1056697 672917 667298 758479 794583 376690 378101 213940 215962 802559 783260 348596 346321 385212 401745 HMDB01847 C07481 194.0816 *194.0857* 194.0857@4.214619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33140 33395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23242 23254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.0857 *194.0935* 194.0935@4.2102776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.0935 *194.102* 194.102@4.256615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5851 5209 1 1 1 1 1 1 1 1 1 20915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.102 *194.108* C15 H14 37642 37760 1 23945 72362 71875 51726 43082 42201 37496 54983 55989 28394 31533 1 1 32243 33299 31522 31154 37699 37237 41103 42231 21712 1 55815 52051 53636 45558 41005 36588 33733 35737 53360 56757 71521 70946 61569 61595 28244 29370 47669 39748 22100 25288 47239 52857 58239 63274 70605 76580 71780 71628 61967 64196 36479 37517 25277 27941 64136 56268 41825 42486 62749 51749 43696 48753 75763 81254 35120 41452 37948 35927 44372 44796 48782 46710 57603 51715 76025 74222 49736 43797 56025 57440 37174 41606 25672 25373 194.108 *194.1101* 194.1101@1.2699919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8773 7977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.1101 *194.1126* 194.1126@4.2637887 1 1 1 1 1 1 1 1 1 1 23319 1 1 1 1 1 1 1 1 31604 1 1 1 1 4099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9738 1 1 1 1 1 1 5053 1 1 1 1 1 4065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19252 1 1 1 1 1 1 1 1 1 14745 194.1126 *194.1147* 194.1147@0.6520018 9999 1 1 6387 1 1 1 1 1 1 1 1 4090 6281 1 1 1 7193 8601 1 1 8097 1 1 5293 6156 1 1 1 13901 1 11271 1 1 1 1 10889 1 1 1 1 8574 1 1 1 6479 4674 1 1 1 6740 1 1 1 1 1 3140 1 1 1 1 2632 1 1 1 1 1 2734 1 5082 1 1 1 1 5850 1 1 1 8153 1 1 1 1 1 1 1 1 1 1 1 194.1147 *194.1147* 194.1147@0.7207244 5537 1 1 10580 1 1 1 5953 1 1 1 1 1 8981 6466 1 1 1 1 1 6201 7826 1 1 1 1 1 1 1 1 9731 1 1 1 6484 1 5912 1 1 1 1 5569 1 1 1 10484 4233 1 8023 1 1 4113 1 4201 1 1 2499 1 1 1 1 2721 1 1 1 1 1 5628 1 2592 1 1 1 5461 1 1 4420 1 2315 1 1862 1 1 1 1 1 1 2179 1 1 194.1147 *194.1151* 194.1151@5.7257185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.1151 *194.1153* 194.1153@4.0504885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.1153 *194.1156* 194.1156@3.3660684 1 1 1 1 1 1 1 1 1 294138 1 1 1 207007 1 893056 1 1 374722 1 1 1 320774 267876 1 1 1 1 1 1 327961 939711 1055239 1 1037910 1 1 338849 1 367232 398759 376839 941733 1095274 1 160598 231855 244498 1 225161 1 1 223637 221621 1 1 152627 1 1 1 1 137327 1 656329 88552 1 1 1 1 215252 1 180215 1 1 1 1 266669 1 1 89557 187887 1 1 1 1 547528 1 1 1 1 194.1156 *194.1156* 194.1156@3.5261154 1 1 1 1 1 1 1 1 1 91195 1 1 1 1 1 14197 1 1 67301 1 1 1 1 150221 1 1 1 1 1 1 1 1 1 1 1 1 1 102720 1 102723 76129 1 5233 1 1 1 1 1 1 1 1 1 46963 1 1 1 1 1 1 1 1 1 1 1 110075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126675 83796 1 1 1 1 1 1 1 1 1 194.1156 *194.1157* C8 H18 O5 998124 1062143 1103519 1025284 1008125 1079564 1122287 992959 1068028 585571 1129431 915977 1056523 900743 1120110 8157 1039091 1081899 567342 1095585 912843 905950 777609 639449 942018 1122890 1135655 1109823 1040025 1026637 697539 11328 12084 1038912 9899 989626 975493 470328 1122161 665078 529724 626339 7813 7134 832137 598589 453344 369047 679123 524475 605210 706017 324598 422785 677475 646847 438784 708130 676185 679571 665188 508659 614672 3706 489474 593546 614419 687089 672177 486932 580944 495280 536068 710359 518417 657753 466335 696802 957123 742475 451947 702625 582260 564641 688012 6306 675642 630424 654319 655632 194.1157 *194.1229* 194.1229@9.341485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.1229 *194.1983* 194.1983@4.2129917 1 1 1 1 1 1 1 1 1 1 10870 11983 1 1 1 1 1 1 1 1 4985 1 1 1 1 1 1 1 1 1 1 1 9334 10041 1 1 1 1 1 1 1 1 1 1 5767 5145 1 1 1 1 1 1 1 1 1 1 8779 9242 1 1 1 1 1 1 1 1 1 1 1 3772 1 1 10891 1 1 1 1 1 1 1 1 7470 1 1 1 1 5771 6480 6752 7254 194.1983 *194.225* 194.225@3.7051392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.225 *194.2322* 194.2322@3.4356146 14438 15860 10653 17515 15303 4960 14163 13387 11722 11024 9561 4679 12649 18049 18827 18465 15245 17584 18527 18495 18535 15352 13888 17357 18420 18704 18900 19177 14440 15541 12351 18370 18970 13050 18640 7109 18387 12646 12575 12986 16051 15104 18342 7458 15659 8327 8533 5998 9073 10346 7817 8813 5507 10630 10085 10572 7835 3360 8222 8261 1132 6878 10801 5856 7759 5137 3719 6578 10199 10238 6414 7821 9938 6590 8719 4866 4699 3153 15404 13101 5957 10332 7099 6526 9653 5580 7744 4560 7871 7940 194.2322 *194.2327* 194.2327@3.347692 2907 3286 1995 1 1182 1332 4557 3829 3020 6238 8330 1 6026 1 1 1 4663 1 1 1 1 1468 5315 1 1 1 1 1 4767 3965 6508 1 1 5275 1 10888 1 6628 5553 6083 1647 3286 1 1 1 1748 1413 3073 1 1 2579 1158 1 1 1 1 1977 6667 1600 1068 4098 1474 1 1 1 1048 2784 1 1 1 1 1768 1 3037 1 4786 3906 1384 1 3556 2057 1 2275 1910 1 1649 1 2954 1 1527 194.2327 *194.2332* 194.2332@3.4353144 1 1 2492 1 1 8588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1979 1 1 1 1 1 1 1 1 1 1 3318 1 1 1 1 1 1 1 1 1 1 1 1 194.2332 *194.2377* 194.2377@4.216965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.2377 *194.2414* 194.2414@4.214064 1 1 1 1 1 1 1648 1 1 1 1 3323 1 1 2299 1 1 1 1723 1 2133 1544 1 1 1 1 1 1 1 1 1 1 1 3588 1 1987 1 1 1174 1 1 1 1 1 2082 2405 1 1 1 1 1 1 1 1 1425 1282 3261 2988 1 1 1 1 1 1 1 1 1 1 1043 1 1 1 1 1 1 1 1 1 1 1 1 1 1353 1316 1 1 2382 1 2568 1 194.2414 *194.8538* 194.8538@4.2178645 1 1 1 1 1 1 1 1 1 1 1 1 2873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.8538 *194.9048* 194.9048@4.2141695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.9048 *194.9361* 194.9361@4.2188644 1 1 1 1 1 1 1 1 1 1 1 1 1378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.9361 *195.0742* 195.0742@1.22499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.0742 *195.0907* 195.0907@1.1709512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.0907 *195.111* 195.111@4.277058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.111 *195.1112* 195.1112@0.88044673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1175 1277 1 1 1 1 1 1 2536 2006 1 1 1 1 1 1146 1 1 1 1038 195.1112 *195.1177* 195.1177@4.331735 1 1 1 1 1132 1 1 1 1 1 1 1 1 1 1 1173 1 1 1 1 1 1 1 1 1 1 1232 1 1 1 1 1 1 1 1725 1 1 1 1 1 1 1 1666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.1177 *195.1182* 195.1182@3.9964466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1234 1922 1 1 1 1 1 1 1 1 1 1 1 1 1073 1 1 1632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.1182 *195.1186* 195.1186@3.384021 1 1 1 1 1 1 1 1 1 1 1 26333 1 1 1 1 1 1 1 1 42731 30002 44793 15174 1 1 1 1 1 1 1 28751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26059 1 1 1 1 8891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8986 1 7948 12891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.1186 *195.1187* 195.1187@3.3336976 12983 1 1 1 14935 16880 1 1 11955 9833 1 16682 1 1 1 1 1 16863 1 1 15946 12739 1 1 1 1 1 1 1 18940 1 20009 23652 1 1 16178 1 1 1 1 1 1 20426 1 1 1 1 1 1 1 1 1 1 1 12395 1 5561 8636 1 8730 1 1 1 8019 1 1 1 1 1 1 1 1 10927 1 7956 6743 1 14049 1 1 1 1 1 10241 1 9823 1 1 1 1 195.1187 *195.1188* 195.1188@3.4140096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.1188 *195.1188* 195.1188@3.4842288 1 1 1 1 4706 1 1 1 1 1143 1 56165 1 1 1 37446 1 1 1 1 30470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 65523 1 1 1 1 1 1 1 1 1074 1 1 1 1 19030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29810 1 1 1 1 1 1 1 1 1 1 23235 1 1 1 1 195.1188 *195.1199* 195.1199@6.013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.1199 *195.2016* 195.2016@4.2130675 1 1 1 1 1297 1 1 1 1 1 1 1 4199 1 1 1 1 1 1 1 1 1 1 1081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2411 1 1 1 1 1 1 1 1 1 1 1 1030 1 1 1 1 1 1 1 1 1 1918 1251 1 1 1 1 1 1 1 1 1 1 1 1 1 195.2016 *195.858* 195.858@0.8571159 33025 32635 34256 14093 33466 34238 32091 33201 32983 31861 32243 32017 33480 32181 33572 33674 33856 31800 31884 1 33313 32359 32658 33976 33380 1 33168 32689 32880 32964 33810 32075 32271 33239 32790 33860 32683 1 1 32660 32107 32479 32705 32800 32880 32444 31084 32602 34137 1 14118 32188 34124 33128 30289 29626 17255 32318 32963 33439 31287 20092 31276 30994 32068 31257 33026 32163 31097 32178 32396 1 33158 32901 32099 1 32281 32144 1 31703 1 1 33467 34040 9779 31615 31642 31312 33351 31427 195.858 *195.8581* 195.8581@0.8467406 1 1 1 20567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30809 1 1 1 1 1 31781 1 1 1 1 1 1 1 1 1 1 1 32383 33435 1 1 1 1 1 1 1 1 1 1 12371 18749 1 1 1 1 1 8178 1 1 1 1 10798 1 1 1 1 1 1 1 1 1 31815 1 1 1 32329 1 1 31588 1 32961 33295 1 1 22664 1 1 1 1 1 195.8581 *195.971* C5 H8 O2 S3 7908 8750 6225 6444 4191 6846 5594 8331 5854 6279 5295 6882 5695 7608 7678 5734 6174 7017 6920 4326 6147 7786 8630 7377 7005 5791 6585 6521 7378 7548 6220 7743 4883 7874 6214 8784 7103 6571 6309 6037 7309 7163 8252 7060 7291 5080 7754 8357 9613 5459 5770 7355 8453 9226 8157 7701 8055 8835 9134 7360 6712 6351 7226 4637 4661 5422 6008 8508 6209 5948 4916 6773 4371 4727 6931 5214 8225 8622 6032 1 7811 1 9136 8675 7779 5262 5873 1 6969 7273 195.971 *196.0586* 196.0586@1.0465369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1847 1972 1 1 1 1 1 1 1 1 1 1 196.0586 *196.0933* 196.0933@0.8894591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1159 1 1 1 1 1 1 1 1000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1229 1 1 1 1015 1 1 1 1 1 1 1 1227 1 1 1006 1060 1 1 1 1 1204 1 1 1 1 1276 1 1 196.0933 *196.0939* 196.0939@1.2500471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3906 1 1 1 1 1 1 1 1 1 1 196.0939 *196.0942* C7 H16 O6 90926 174524 66806 130936 92190 46801 153598 152242 77676 80127 141661 75552 129345 66229 77731 151812 91095 90711 76021 75531 81359 154957 67803 67022 131067 130048 89622 84713 129118 134434 81588 79294 84012 160075 141385 143523 71657 140617 120182 120336 137675 137937 76210 75752 117198 118293 77389 76814 126541 68577 138265 75046 92748 92306 93229 90623 165678 165586 136555 73090 80333 81909 91582 92146 64027 125794 148299 148316 82983 155520 52208 98858 66348 130663 104308 106081 119785 117770 57253 112511 146551 145387 160030 160378 121678 124770 77191 77055 146222 143842 196.0942 *196.0958* 196.0958@0.8871625 1 1 1 1 1 1489 1 1 1 1 1 1286 1 1 1 1783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1218 1 1 1 1 1 1 1 1 1 1 1 1239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1166 1 1 1 1 1 1 1 1 1 1 1 196.0958 *196.0981* 196.0981@4.2109575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.0981 *196.1112* 196.1112@5.725094 1377 2075 1294 2722 1 1 1 1 1 1 1 1401 1 1 1 2466 1 1 1 1 1 1 1 1 1551 1 1 1043 1 1 1 1 1 1 1266 2188 1 1 1 1 2447 1 1 1 1660 1650 2278 1 1 1 2902 2851 2337 2001 1 1 2539 2670 1 3127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1658 1 2087 1297 1 1 1639 1 1 196.1112 *196.1132* 196.1132@5.6918206 1 1 1 1 1 1 1693 1 1 1 2787 1 1 1 2206 1 1 1 1 1772 1 1 1 1 1 1 1 1 1 1 1 1 1 2369 1 1 1 1 1 1 1 2436 1983 1716 1 1 1 1516 1 1 1 1 1 1 1 1 1232 1683 3255 1 1 1 1 1 1132 1 1 1 1 1 1578 1500 1 1 1 1 1 1645 1514 1 1644 1 2046 1 1 1 1601 1 1 1 196.1132 *196.1184* 196.1184@4.105872 1 1 1552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.1184 *196.1192* C10 H16 N2 O2 + 3.384578 1 8557 4928 5339 11925 1 7019 1 4587 13263 1 1 6399 4395 1 4500 6373 1 1996 1 1 1 5712 11710 1 12167 6176 1 12851 1 5726 12998 1 5830 1 1 5534 1 5324 2924 4490 1 12647 2844 8642 1 1 7381 4665 1 1034 1 1 8514 1 1 1 1 3294 1 1 1 1 2638 1 1482 5380 1 1 1 3033 1 1 2237 8832 1 1 1 2671 2789 1 1 1 3525 1 8325 1671 1 1 1859 196.1192 *196.1203* 196.1203@5.2884164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1305 1 1 1 1 1 1 1 1 1 1 1 1 1 196.1203 *196.1206* 196.1206@3.3867936 1 1 1 1 1 1 2302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.1206 *196.1208* 196.1208@3.3968575 1 1 1 7930 1 1 2712 1 1 1 1 1 1 1 1 1 5737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6569 1 1 6994 1 1 10803 1 1 1 1 4160 1 1 1 1375 1 3041 1 1 1 1 1 1 1 5399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2554 1 1 1491 196.1208 *196.121* C10 H16 N2 O2 + 4.166667 3785 1 1207 1 1 1 7618 1 1 5991 11138 1 1 11771 3075 2158 1 1 8286 1 1 1802 4053 3468 1 1191 5329 4350 4132 3162 1 1 1241 1 8518 1 1 6252 8375 7551 10764 9617 1 3519 1 3640 15404 1 7150 1 1 1 1 10675 3184 1 1 1 3429 3501 11810 10095 1 1 12278 1 8970 9496 21293 1 6524 2791 5742 1 14731 1 8090 8105 7950 6976 8912 1 1 4651 18932 19228 1 5528 4948 1 196.121 *196.1211* C10 H16 N2 O2 + 4.2648683 23233 23803 10208 10392 54427 51944 29671 27109 34975 36767 27680 29242 26328 27181 23899 24068 26060 28098 38380 35318 15808 16198 31343 30502 13870 12626 39123 38767 22708 22692 35675 34966 25225 26489 32447 34367 22587 22745 61543 61850 37647 36701 20708 18460 17811 15946 64179 65116 36412 36081 31963 32957 26188 26090 19694 19985 15441 14790 14490 16038 34370 33055 12342 10919 27185 25732 26744 25103 45588 44149 21327 21249 29647 33044 61365 62869 41719 38816 17409 16828 44311 43519 25660 23945 26561 27381 20396 20635 25007 24416 196.1211 *196.1212* C10 H16 N2 O2 3546 4401 1503 1 16592 16046 1617 7211 5850 2939 1529 10433 11525 2523 2026 2365 1 1 1459 7159 1488 2064 3131 2773 1 2380 1994 1311 2361 2168 14737 15054 8318 8746 2233 9205 5090 3465 2779 2175 1172 2295 3588 2352 4878 1755 2299 15218 2099 6766 1 2684 11737 1083 1992 3352 5249 5609 2192 2273 2630 1351 2460 2464 2466 13035 2205 2000 2086 23007 1695 7662 2301 5406 2603 14967 2164 2469 2154 1296 2320 9053 4553 2308 2534 2631 7209 2054 2409 4663 196.1212 *196.14* 196.14@4.323741 1 1 1 1037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.14 *196.1445* 196.1445@7.541747 1 1 1 1 1 1 1 1 1 1 2433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.1445 *196.1461* 196.1461@7.542231 1 1 1 1 1 1 1 1 1 1 1401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5049 44624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.1461 *196.2123* 196.2123@0.8515524 1 1738 1 1 1 1 1 1 1 1422 1046 1 1 1 1347 1 1671 1 1 1 1 1 1 1 1171 1 1 1 1062 1 1472 1 1 1 1 1365 1 1355 1 1 1228 1 1 1 1 1 1 1 1 1 1 1 1755 1 1 1 1 1 1281 1 1 1 1645 1 1 1 1 1341 1 1584 1 1 1 1 1 1 1 1044 1016 1 1 1 1341 1 1 1 1388 1 1300 1336 196.2123 *196.9718* 196.9718@0.77650213 1 1 1 1 1366 1 1 1 1 1 1 1 1226 1 1 1601 1080 1 1 1306 1494 1 1 1 1 1 1447 1514 1 1 1 1 1595 1 1 1 1 1 1 1 1 1 1 1495 1 1204 1 1 1 1630 1 1 1 1 1 1 1 1 1 1751 1 1 1 1378 1554 1 1523 1 1 1 1391 1 1251 1368 1777 1252 1 1 1 1 1 1 1 1 1 1796 1271 1505 1 1 196.9718 *197.0457* 197.0457@2.011508 1 1 4277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3773 1 1 1 1 1 1 1 1 1 2161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.0457 *197.0462* 197.0462@2.041157 1 1 2526 6323 1 1 1 1 1 1 2991 2559 1 8274 1 1 1 3903 1 6080 1 1 1 1 1 3645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2226 1 1 1 1 1 1 8076 1 4966 1 1 1 1 1 1 1838 5029 1 1 1 1 1 1 1 1 1 1958 4573 4531 2805 1 1 3333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1351 1 197.0462 *197.0492* 197.0492@4.1543775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2063 1944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.0492 *197.0627* 197.0627@7.0405207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.0627 *197.0769* 197.0769@1.2415117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2675 2309 1 1 1 1 1 1 1 1 1 1 1 1 8147 2677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.0769 *197.0797* 197.0797@1.2279468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.0797 *197.0806* N-Acetyl-L-Histidine 23558 25879 38882 44095 24741 26078 49961 49367 42964 43589 43529 44674 81846 81978 48182 45222 1 1 79055 78120 37036 35247 57442 55334 22679 23541 38257 37425 54353 56818 1 33075 46134 45934 34065 33315 113711 114313 69234 67767 60351 57271 1 28131 67212 64991 54284 57987 36873 36451 41380 42115 94304 94175 29067 31730 32990 37467 82861 81653 68031 71096 54204 53129 20361 19716 23230 23711 68860 68725 40088 40243 44986 44636 51128 50387 46275 45340 104881 107270 91231 90721 49254 46421 35313 37786 40040 38613 79883 78602 197.0806 *197.0843* 197.0843@1.1242015 1 1570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2156 1 1 1 1 1 1203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1254 1 1 1 1 1 1 1 1 1 1 1 197.0843 *197.09* C6 H15 N O6 144524 149743 130292 133191 203564 205497 216853 215290 158157 160169 149333 99611 156156 155795 150992 148083 165962 178291 148491 142675 178295 176982 90561 108170 168732 114056 140917 97081 1 93426 188981 183606 103844 141074 179142 184214 1 1 157579 153766 169396 167856 175072 181565 180414 185835 205184 203291 156592 158432 1 119030 1 121209 1 1 104830 185106 180107 175625 174151 115771 145732 142864 1 1 93620 146419 147859 91683 1 100966 1 145769 161600 159437 1 1 108750 1 154014 104934 107003 1 1 1 1 1 206482 205855 197.09 *197.0913* C7 H11 N5 O2 1 1 1 1 1 1 1 1 1 1 1 54191 1 1 1 1 1 1 1 1 1 1 71446 50757 1 58824 1 43981 157129 63169 1 1 37459 1 1 1 163124 166694 1 1 1 1 1 1 1 1 1 1 1 1 177676 58322 194398 72406 176110 166766 82338 1 1 1 1 57088 1 1 169178 168486 54965 1 1 57913 155094 53359 212398 66391 1 1 109192 154105 40313 146845 1 53941 74935 176051 141108 141916 145030 144417 1 1 197.0913 *197.0956* 197.0956@0.8800192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47954 1 1 1 1 1 1 1 1 1 1 1 1 1 197.0956 *197.1415* 197.1415@6.1151567 1643 1840 1759 1811 1265 1517 1245 1620 1523 1204 2182 1841 1334 1548 1478 1454 1326 1106 2091 2155 1051 1284 1261 1330 1476 1284 1888 2311 1474 1388 1689 1092 3132 3630 1587 1269 2225 2174 1447 1709 1670 1446 1 1273 3214 3097 1 1 1 1 1 1188 1099 1184 1260 1693 1083 1034 1399 1486 1680 1303 1577 1652 1102 1 3437 2273 1268 1384 1694 2091 1261 1 1217 1 1 1191 1577 1661 1297 1633 1496 1300 1 1095 1 1266 1141 1232 197.1415 *197.1768* 197.1768@7.3523335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1604 1574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.1768 *197.1768* 197.1768@9.879293 1 1 2509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1897 1 1 1 1 1 1 1 1387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.1768 *197.1776* 197.1776@6.9371657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.1776 *197.1782* C12 H23 N O 16880 15858 13615 15937 12798 12785 15499 14302 14446 12868 15444 14390 14863 14819 16889 17086 12677 13498 13645 15476 19412 18676 18211 17097 19309 19411 17208 17498 19838 20639 16985 16255 14007 15603 16143 14643 14683 14820 14238 14893 13103 13475 16118 15964 16785 16565 11675 11758 15028 14531 17470 17659 18822 18527 17674 15824 14764 15123 17974 16856 13517 14476 11628 11956 12236 12782 11599 9299 12042 12692 11131 10992 11790 11798 15827 13718 12042 10896 12474 12730 13132 11688 11569 11818 13451 11263 13315 13540 14563 14222 197.1782 *197.2084* 197.2084@0.90190864 1 1 1264 1150 1669 2880 2216 1 1769 1552 1 1 1 1 1 1036 1168 2466 1072 1 1 2173 1273 1 1 1 1 1162 1 1 1 1378 1 1 1928 2107 1 1533 1 1558 1 1 1 1 1 1 2264 1 1 1 1 1 1 1 1 1 1085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1169 1 1 1046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.2084 *197.855* 197.855@0.85382086 32033 32184 32419 31589 32038 1 32237 31330 31557 31573 30041 31007 1 31763 32262 1 33348 32745 30002 30519 1 1 32403 1 31866 21563 32643 20486 31169 31718 1 32459 32487 32421 1 32350 1 32329 32397 31679 31958 31265 31242 32454 1 32519 12039 1 33564 34942 32103 14257 1 1 29995 1 14863 33014 32211 32094 30538 30461 1 29974 31645 31330 31880 32317 30730 1 31688 31393 32021 1 31117 31749 1 1 30445 30732 31188 30815 32676 32885 29824 30236 11559 30655 31389 31317 197.855 *197.8551* 197.8551@0.8615053 1 1 1 1 1 32770 1 1 1 1 1 1 31455 1 1 32212 1 1 1 1 31875 31057 1 31986 1 10195 1 12253 1 1 31328 1 1 1 34297 1 25938 1 1 1 1 1 1 1 32983 1 19653 30726 1 1 1 18140 33687 32559 1 30102 17393 1 1 1 1 1 30438 1 1 1 1 1 1 30778 1 1 1 31725 1 1 31713 31104 1 1 1 1 1 1 1 1 1 1 1 1 197.8551 *197.9374* C6 H2 N2 S3 1 1 4363 1 1 1 1 1 1 4010 3725 3918 1 1 1 1 1 1 1 1 1 1 1 1 3349 1 1 3079 1 1 6513 6578 5290 5066 5240 5715 1 1 4214 4357 3972 1 1 1 4791 4587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5184 5430 4120 3962 5053 4923 4422 1 3773 1 1 1 4706 4892 1 4690 1 3556 1 1 6812 6859 4723 4279 1 1 197.9374 *197.9415* C3 H6 N2 S4 3479 3028 1 4354 3595 3573 3511 3797 3859 1 1 1 1 1 3312 1 1 1 3590 3140 3767 3529 3801 3908 1 3146 2963 1 2975 1 1 1 1 1 1 1 5880 5484 1 1 1 4315 4198 4363 1 1 3819 3426 1 3815 3582 3819 3294 3377 3042 2739 3267 3572 4633 4006 3553 3585 3261 4067 1 1 1 1 1 1 1 4324 1 3856 4672 4490 1 1 4275 1 3446 1 3535 3568 1 1 1 1 1 1 197.9415 *197.9481* 197.9481@0.7759825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.9481 *198.0368* 198.0368@0.8810284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1032 1 1 1 1 1 1 1 1 1 1 1 198.0368 *198.052* 198.052@3.2717052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1074 1340 1 1 1 1 1 1 1 1 1 1 198.052 *198.0581* 198.0581@1.009014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3910 1 1 1 1 198.0581 *198.0644* 198.0644@1.0115131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7324 1 1 1 1 1 198.0644 *198.0683* 198.0683@1.0100125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.0683 *198.0796* 198.0796@1.2472082 1 1 1 1 1201 1 1646 1444 1 1 2195 2372 1 1 1 1 1 1 1214 1 1 1 1 1 1 1 1 1 1 1 1 1 1807 1 1 1 1 1 1 1 1368 1 1 1 1 1 1 1 1 1 1 1 1326 1546 1 1 1 1 1 1 1 1 1 1 1825 1838 1 1501 2231 2616 1 1 1 1 1851 1 1666 1 1 1 1 1 1 1 1889 1905 1 1358 1 1 198.0796 *198.0839* 198.0839@1.2456018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1434 1 1 1 1679 1464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1146 1 1 1614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2158 1 1437 1 1 1 1 1 1 1 1 1 1 1 1 198.0839 *198.0959* 198.0959@3.226432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2450 1 1 1 1 1 1 1 1 1 1 1353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3440 1 1 1 1 1 1 1 1 1 1 198.0959 *198.0983* 198.0983@1.2510474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2494 2379 1 1 1 1 1 1 1 1 1 1 198.0983 *198.0993* C9 H14 N2 O3 + 3.2517543 3288 1 2220 2271 1 2769 3087 3548 5038 4404 4677 4728 4575 4992 2201 2298 1 1379 5770 3835 1 1 1 2338 1 1 5729 2673 1167 1400 1822 1619 3707 3264 2420 2587 1 1818 4334 4376 4760 4333 1 1 1 1759 3177 3400 3404 1683 1 1118 4648 6873 1 1428 2373 2705 1959 2076 3969 3790 1 1 6526 6493 1 2902 5625 5780 4480 4183 1829 2400 2729 2498 4452 3217 2468 1 2113 2117 1 1 2735 3000 2225 2538 1614 1485 198.0993 *198.101* C9 H14 N2 O3 1 1074 1840 1258 3510 3303 1837 2233 1 1 4273 4129 1 1797 1233 1164 1 2455 3125 2353 4047 3889 1 1 1 1 3487 4977 1987 1 3549 3730 1684 1 2478 2748 2241 3258 3042 3220 3774 3325 1161 1723 1076 1 3631 3647 5290 5930 2347 2725 2634 2753 1601 1541 1226 1 1067 1 3807 3666 2558 2329 1724 2194 7834 6636 2422 2084 2233 1687 2875 2740 2626 2844 3056 2991 2532 2372 3328 2208 1303 1364 3115 4081 2523 2909 1 1946 198.101 *198.1014* 198.1014@3.3446653 1 3339 1 1 1 1 1 1 1 1 1 1 1 1197 1869 2086 1 1256 2501 4065 17674 17724 1 1 1 1 4272 6662 1 1 12172 11612 4618 4125 1 1 1 1 2416 3467 3286 3237 1 1 3659 3085 1 1 1 5270 1897 1244 2412 1628 1150 1 1796 1560 1 1 7605 8328 2669 2438 3542 3497 37481 38012 1 1 1682 2535 1 1 1 1 1 1 1129 1 1 1 1 1 8622 8907 3705 2391 3950 3664 198.1014 *198.1057* 198.1057@3.344907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1678 2406 1 1 1 1 1 1 1 1 3255 3366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2742 2750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.1057 *198.1067* 198.1067@0.8740218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2589 1 1 1 1 1 1 1 1 1 1 1 1 198.1067 *198.1225* 198.1225@3.3622024 1 1 1 1 4856 4463 1 1 1 1 1 2498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.1225 *198.1267* 198.1267@11.87583 1 1355 1345 1 1147 1 1489 2393 1 1526 1 1 1290 1099 1396 1460 1 1146 1 1421 1393 1308 1007 1169 1165 1192 1494 1 1316 1244 1 1 1 1 1 1 1275 1151 1 1 1099 1175 1 1 1210 1213 1383 1 1316 1209 1 1 1 1 1012 1175 1 1 1 1107 1265 1 1 1 1 1 1 1 1264 1123 1 1 1438 1106 1 1055 1023 1 1 1 1 1 1 1 1 1 1 1 1 1 198.1267 *198.1282* 198.1282@3.351538 1 1 1 1 1 1 1 1 1 1 2452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1294 1 1 1 1 1 1 1 1 1 1 1 1 1 198.1282 *198.1303* 198.1303@4.9136763 1 1 1 1 1845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.1303 *198.1355* 198.1355@4.8748317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1145 1 1 3250 3497 1 1 1 1 1 1 1 1 1 1 1 1 1 1519 1 1 1 1 1 1 1 1 1511 1724 1 1 1 1 1173 1106 1 1 1152 1 1 1 1 1 198.1355 *198.1365* 198.1365@3.3538368 1 1 1 1 1 1 4149 4118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9592 9411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18830 20293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.1365 *198.1405* 198.1405@3.9602108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1511 1 1 1 2285 2006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.1405 *198.1612* 9-lauroleic acid + 12.430359 1774 1870 1770 1584 1495 1570 1409 1484 1624 1493 1 1830 1576 1551 1510 3887 1 4353 1280 1 3707 1948 1 1574 1701 1806 1 3626 1749 1751 1 1351 1557 1 1620 1 1341 1781 1672 3414 1 1315 1 1 1390 1428 1 1423 1 1412 1291 1 1 1314 1 4216 1 1108 1490 1355 4562 1 3644 1 1 1429 1 1229 2632 1513 1 1 1 3390 1 1 1649 1289 1847 1473 1441 1606 1546 1538 1 1 1559 1 1398 1549 198.1612 *198.1617* 9-lauroleic acid 2110 2328 3011 2753 2178 2297 2986 2759 2365 2796 2652 2862 2469 1 2937 2697 2288 2840 1810 2202 2881 2775 2827 2075 2176 2498 3071 2720 2951 2299 2597 2512 2377 2920 2777 2766 3153 2726 2858 2739 2217 2764 2743 2441 1576 1419 1 1460 1533 1 1 1 1 1275 2192 1297 1 1 1676 1496 1463 1514 1486 1 1647 1 1477 1677 1601 1 1421 1608 1559 1583 1653 1 1 1 1431 1936 1 1969 1798 1 1943 1840 1 1418 1620 2201 198.1617 *198.1682* 198.1682@6.008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.1682 *198.1693* 198.1693@6.067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.1693 *198.1719* 198.1719@1.0320175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.1719 *198.173* 198.173@0.6890092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.173 *198.2092* C12 H26 N2 2958 2654 2494 2192 2667 2557 2419 2470 2549 2476 2566 2581 2767 2629 2606 2550 2757 2552 3027 2142 2290 2876 2353 2501 2552 2416 2479 2519 2463 2418 2586 2310 2806 2279 2559 2504 2347 2914 2446 2263 2489 2300 2411 2290 2434 2806 2338 2823 2467 2706 2639 2870 2822 2521 2534 2767 2480 2219 2565 2817 2168 2406 2806 2722 2608 2419 2250 2445 2259 2360 2781 2523 2460 2718 2629 2413 2477 2382 2621 2325 1934 2230 2339 2654 1963 2201 2400 2096 2160 2689 198.2092 *198.9902* C4 H6 Cl N O6 2742 2683 2884 2719 2494 2752 2411 2646 2625 2961 2649 2710 1 2608 2638 2683 2340 2635 2568 1 2811 3109 3267 3033 2588 2581 2480 2515 2728 2797 1 1 1 1 3354 1 1 3215 3105 3230 2960 1 3144 3003 1 1 2708 2723 2968 3205 2805 2755 2955 3229 2753 2656 2731 2780 3062 3406 2835 3117 2761 2742 1 1 2906 1 1 1 2896 3214 2846 2958 2800 2983 2823 2815 1 3227 1 2619 3162 3189 1 1 1 2996 2448 1 198.9902 *198.9919* 198.9919@0.77522874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2472 1 1 1 1 1 1 1 1 1 1 1 1 3336 3163 1 1 1 1 1 1 1 2694 1 1 3039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3038 1 3024 3008 1 1 1 1 1 1 1 1 1 3137 1 1 1 1 1 1 1 1 1 1 1 198.9919 *198.9981* 198.9981@0.77446455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3124 3186 1 1 1 3046 3472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3269 1 1 1 1 3330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3661 3902 2882 1 1 1 198.9981 *199.0337* C5 H5 N5 O4 19277 18814 16715 16865 22415 22744 24833 24256 17790 20025 22425 22386 20219 19550 17630 17572 23748 24297 18539 17946 17271 18746 14602 14811 24444 23665 22343 21474 20085 20603 16839 15776 19830 21722 16665 17047 19291 18429 18395 17975 21612 22453 20188 20272 21321 21163 19453 19214 15388 16077 19106 18607 20112 19774 16122 16537 16662 16527 19382 18965 21388 21570 17289 16115 21600 21778 14086 14394 19321 19654 17966 17692 24120 24176 18145 17491 18982 18222 13095 12912 15181 14766 12561 12459 14901 14125 28332 27356 18585 18881 199.0337 *199.0871* 199.0871@3.0981886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1419 1324 1 1 1 1 1 1 1 1 1 1 199.0871 *199.1005* 199.1005@1.2437006 1 1 1 1 1 1 1 13698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1440 1423 1 1 1 1 1 1 1 1 1 1 199.1005 *199.1154* 199.1154@1.238031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1117 1243 1 1 199.1154 *199.1561* 199.1561@6.786669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2963 1 1 1 1 1 1 1 1 3505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.1561 *199.1566* 199.1566@6.794821 1 1 5685 1 1 1 1 1 1 1 2601 4157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7193 3581 1 1 1 1 6102 7629 1294 1 3652 6327 1 1 1 1 1 4550 5782 22072 1 1 1 1 1 1 1 1 1550 3601 1 1 1 1 1 1 1 1 1 1 1648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2797 2917 1 1 1 1 1 1 199.1566 *199.1757* 199.1757@0.62400794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.1757 *199.1758* 199.1758@0.73201007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.1758 *199.1769* 199.1769@0.67500895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.1769 *199.1931* dodecanamide + 10.117273 3125 2592 2566 2919 3149 2573 2937 2459 3347 2857 2984 3429 2685 3465 3525 2810 2307 2556 2326 2966 2492 2694 3506 2255 1 2797 3352 3608 2766 3334 2346 2079 2495 3263 3658 2949 2546 2910 2491 3063 2864 2480 2324 2613 3295 3022 3216 2882 2719 2470 2795 2597 3172 2803 2972 3382 2550 3204 3619 2594 2828 1 3198 2625 2839 2532 3158 2619 3473 1 2919 2566 3197 3271 2476 3182 3508 2986 2537 3114 2709 2712 2978 3235 2372 3103 2927 3071 2643 2106 199.1931 *199.1937* dodecanamide + 10.603764 15525 5085 14752 15291 15083 14206 14669 15591 13631 14675 15085 15991 14488 15016 15628 15891 14399 14966 14712 14452 15888 15012 13945 16162 14655 16093 17630 16085 15611 15445 13408 13729 14796 14469 15065 16158 14428 14891 14201 13765 15084 13851 14342 14413 14309 15148 14716 14529 13181 14021 15523 15859 5339 17031 16206 15609 15193 13120 14513 14427 12469 13860 14511 14045 14473 13301 14826 14419 3475 15311 15354 2147 14430 15144 14365 13128 13508 15039 14196 14163 14093 14997 13884 13458 13211 14742 14571 12347 14894 14299 199.1937 *199.1938* dodecanamide 3696 3158 3911 3416 3560 3419 3433 4211 3934 3619 3234 3501 4207 3197 3708 4150 4170 3940 3379 3705 3641 3237 3646 4095 4013 3522 3181 3169 4527 3775 3693 3455 4121 4029 3504 3413 3838 3288 3458 3433 3584 3450 3652 3532 3303 3388 3621 3633 2924 3879 3886 4301 3223 4977 3287 3021 3535 3757 3097 4124 3284 3580 2853 3928 3578 3648 3111 3818 11476 6736 3408 3548 3148 3010 3567 3437 2772 3908 3926 2911 4093 3700 3416 3716 3863 3055 3108 3355 3496 3954 199.1938 *199.1941* 199.1941@10.639955 1 11171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1207 1 1 1 1 1 1 1 1 1 1 1 1 1244 1 1 1 1 1 1 1 1 1 1 1 1 1 1161 1 1 1 1 1 11009 1 1 1 1 2372 1 1 1883 1 1 1 1 1 1 1 1 1 1 12049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.1941 *199.8522* 199.8522@0.85545367 10702 10570 10442 10187 9826 9931 10291 9915 9394 10687 10688 10111 9861 3488 10269 9918 10412 9789 9809 9298 10255 10339 10328 10666 9992 9941 10248 10441 9989 9925 10463 9702 10094 10971 10049 10084 9410 10291 10680 10028 9690 9612 10454 9611 10339 10540 10382 9625 10898 10631 10258 9700 10428 10467 9426 10057 1 9711 10634 10020 9605 10163 9790 9903 9665 9643 10202 9658 9588 10046 10153 10445 10492 9676 10113 10578 9824 9707 9271 9617 9826 9332 10775 9813 9521 9704 5387 9662 10583 10308 199.8522 *199.8526* 199.8526@0.8330194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3593 1 1 1 199.8526 *199.9635* 199.9635@0.7752617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2084 1 1 1 1 1 1 1 1 2266 1 1895 1 1 1 199.9635 *199.9693* C8 H5 Cl O2 S 2334 2241 2112 2252 2308 3337 2317 2360 2156 2288 1 2080 2054 1998 1984 2088 1782 2298 2019 1778 1997 2049 2227 2278 2000 2095 1991 1727 1986 1937 2210 2004 2343 2029 2110 2382 2228 2391 2273 1999 1840 1 2027 2281 1640 2004 1708 1795 2050 2409 2026 2236 2007 2001 2129 2100 2056 1965 2206 2317 1777 1720 1883 1952 2229 2143 2171 1913 2131 1942 2283 1981 2176 2120 2162 1 2294 2080 2072 1856 1838 1806 2140 2389 1 2358 1 1845 1638 1639 199.9693 *200.0485* 200.0485@0.9019969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.0485 *200.0567* 200.0567@3.746107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4100 3106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.0567 *200.0667* 200.0667@3.0540364 1 1 1 1 1 1 1 1 1 1 1 1 1204 1 1 1 1 1 1 1 2136 4045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2366 2161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2288 2032 1 1 1 1 1 1 1 1 1 1 200.0667 *200.0796* 200.0796@2.9666765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11195 8990 1 1 1 1 1 1 1 1 1 1 200.0796 *200.0851* 200.0851@3.6680157 1 1 1 1 1 1 1 1 1 1 1991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1629 1743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.0851 *200.0852* 200.0852@3.541127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.0852 *200.0922* 200.0922@4.1714654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2259 1837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.0922 *200.1044* 200.1044@4.36304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3685 5318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.1044 *200.1518* 200.1518@4.0523734 1 1 1 1 1629 1667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1067 1 1 1 1 1 1 1 1 1 1 1 1 1 3070 2844 1 1 1 1 4455 4225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.1518 *200.152* Ethambutol aldehyde 2548 2541 4062 4031 2248 2702 3319 3612 1844 2049 2762 2403 2481 2614 2644 2406 3020 3183 4459 4659 2468 2542 3310 2804 2645 2838 1927 1 2265 2192 2522 2492 1969 2052 4139 3724 14287 13206 6590 6356 3892 4882 2227 2558 4833 2923 4328 4708 2728 3185 2727 2606 4119 4575 5772 6111 1523 1634 4763 5113 4664 5198 8973 9304 4775 4665 3397 3044 2837 3120 5902 5963 1775 2089 1397 1626 5846 5249 3175 5697 4693 4747 6645 6872 6075 6148 1 1364 5722 5583 200.152 *200.9763* L-Cysteinesulfonic acid 1928 1 1014 1317 1 1 1265 1 1035 1114 1008 1 1 1219 1154 1193 1164 1164 1215 1 1 1 1207 1367 1325 1038 1138 1 1 1 1046 1105 3084 1 1 1 1260 1110 1017 1 1153 1 1266 1 1 1203 2543 1 1228 1409 1 1236 1180 1112 1066 1076 1 1008 1 1228 1 1220 1045 1043 1 1767 1558 1120 1 1105 1204 1043 1242 1122 1235 1 1 1139 1093 1 1150 1 1186 1085 1204 1076 1 1 1 1 HMDB00731 200.9763 *200.981* 200.981@0.7740096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.981 *201.0609* 201.0609@0.8545092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1143 1392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1145 1272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.0609 *201.075* 201.075@0.95703286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2554 2241 1 1 1 1 1 1 1 1 1 1 201.075 *201.1012* 201.1012@3.429304 1 1 1 1 1122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1213 1233 1 1 1 1 1 1 1 1 1 1 201.1012 *201.1062* 201.1062@1.25402 1 1 1 1 1 1 2327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2623 1864 1 1 1 1 1 1 1 1 1 1 201.1062 *201.1106* 201.1106@1.9726229 1 1 1 1 1 1 1 1 1 1 2239 1850 1 1 1 1 1604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.1106 *201.1112* 201.1112@1.8599998 1 1 1 1 1 1 1 1 1 1 1 1549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.1112 *201.1143* 201.1143@1.2629912 1 1 1 1 1 1 1 2133 1631 1519 3765 3967 1 1 1 1 2099 1979 1424 1920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1205 1657 1 1 1 1 1 1 1 1799 1634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.1143 *201.1147* 201.1147@5.6490707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.1147 *201.1166* 201.1166@1.2613343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1799 1718 1 1 1 1 1 1 1 1 1 1 1 1 1 1580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.1166 *201.1194* 201.1194@5.5579367 1 1 2501 2399 2607 3033 3534 3664 1 1 1 1 1 1 1 1 1 1 1745 1161 1 1 1 1 37978 34419 1 1 1 1 6698 6814 1 1 1 1 1 1 1 1 2242 2665 1 1 1 1 1284 1464 1 1 1 1 1 1 1 1 1 1 1784 1451 2346 2444 10115 11475 1 1 1 1 2600 2754 34943 34998 1 1 1 1 1061 1 1 1 1 1 1 1 1 1 1 1 1 1 201.1194 *201.1217* 201.1217@5.5540915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.1217 *201.1246* 201.1246@1.2489835 1 1 1 1488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1757 1584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.1246 *201.1267* 201.1267@5.5483522 1218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 1 1 1 1 1 1127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1593 1 1 1 1 1 1008 1 1 1 1 1 201.1267 *201.1299* 201.1299@1.2469841 1 1 1478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.1299 *201.1727* 201.1727@2.0937686 1 3801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31065 34379 60419 52723 28404 23543 36818 33100 12705 14301 12266 1 1 10806 24181 21379 24730 23171 1 19778 24462 22829 8837 7806 12648 1 24669 26086 21920 17687 201.1727 *201.1727* 201.1727@2.2155094 1 3765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5814 4753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29743 72084 96856 31110 45887 45759 38750 23791 21128 12759 25667 26891 11281 18052 27841 16640 32334 1 37512 23284 25573 8769 7119 23833 41154 42069 41064 17156 22915 201.1727 *201.1727* 201.1727@2.1765642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4777 1 6265 1 1 1 11520 1 201.1727 *201.1728* 201.1728@6.282489 1 1 1 1 1 1 1 1 1 1 3225 3456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3653 3570 1 1 1 1 1 1 1 1 2972 2969 1 1 1 1 1 1 6402 6891 1 1 1 1 1 1 1 1 1 1455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1752 2042 1 1 1 1 1 1 1 1 201.1728 *202.0017* 202.0017@2.0321436 1 1 1728 1 1 1 1998 1 1 1 1 1 1 1 1 1 1100 1 1 1 1 1 1 1 1 1 1 1 1 3054 1 2744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2113 1 2012 1 1 1 1 1 1 1436 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0017 *202.0019* 202.0019@2.0363092 1474 1 3207 1 1 1 2608 5609 1 2103 4141 1 1 1 1 1 3912 1 2456 4565 5684 1 5519 1 1 3654 1 1 5095 1449 1 4599 1 1 1 1 4095 1 1 1 1 4266 1 1 6032 1 3270 1 2426 1 1 2077 1 1 1 1 3249 1 6136 1 1487 1 1 1 1 4415 3868 2331 1 2353 3698 1 2097 1 1 1 1698 1 1 4001 2756 2613 1 1 1 1 1 1 4132 1 202.0019 *202.0049* 202.0049@1.9980193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0049 *202.0336* C8 H11 Cl N2 S 6775 7566 8094 6680 6411 7020 8572 8581 6712 7260 6523 8630 6910 7305 7798 7029 7517 1 7067 7832 8912 6759 6847 8605 6806 7302 7327 7395 7038 7119 7108 1 7976 8716 7960 7831 7890 1 1 6572 7321 8975 6809 8117 7857 7735 7043 8077 7600 7661 9195 7743 8310 1 6365 8207 7421 8020 8039 1 9386 7197 8490 9036 7750 5679 8283 7307 1 7383 8500 7950 7739 6459 8621 7894 8931 8813 8776 6943 8340 8809 7324 7607 7595 1 7521 6903 7275 6822 202.0336 *202.036* 202.036@2.017054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.036 *202.0451* C8 H10 O6 + 1.2135421 1620 5797 1705 3380 15499 15836 1 14986 9029 10325 1 10935 1 5812 2117 11008 1 11750 1205 5935 11668 10514 1 2057 12231 1457 10153 10436 2435 1 11263 14355 2606 8209 8779 8316 1 1 5656 1 1448 9148 15561 12339 4615 3484 16852 17668 10454 1 1276 4966 1 1 3177 6017 1830 4354 9735 1 1657 3593 2986 6605 1155 3616 4656 1 5758 13606 4525 6722 27983 28484 2488 4317 1 1559 1 2324 3215 2940 3186 9840 1 8324 1 1070 1 2740 202.0451 *202.0452* C12 H10 O S 9077 10401 9203 9519 12325 14205 16395 17153 13362 13180 16456 15916 9407 10229 7840 8722 15159 15088 7431 7277 9878 10617 5793 6050 16093 14719 11280 11937 12599 4013 11953 6662 5616 6191 13372 8760 9037 5053 6046 5431 7231 10419 13942 14388 11765 13463 13648 12503 9641 11923 11210 11809 14725 14956 10220 11455 6868 7024 5185 1 13317 13378 9134 8576 11914 14080 4565 6292 10629 5842 6861 7071 10912 16522 9095 7522 14258 13493 3827 3868 5029 3680 8282 9416 9190 6230 16990 17015 4591 6308 202.0452 *202.0456* 202.0456@1.0039796 22883 1 1 6169 1 1 134213 1 1 1 9536 1 1 1 1 9953 1 253758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9200 1 1 1 1 1 1 1 1 1 1 1157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409731 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0456 *202.0459* C4 H6 N6 O4 39960 1 1 1 1 1 22448 1 22399 1 30444 1 40639 1 38678 42198 1 45184 1 46511 1637918 1 36123 37211 1 1 1 40077 1 1 1 36058 45991 44935 1 1 1 31986 35751 39209 19090 1 33636 1 1 1 1 1 38147 37258 33440 33708 1 37645 33308 1 28289 1 1 37361 1 32393 42898 1 1 19110 70382 62891 35847 31610 40261 40944 1 29618 1 1 32596 29491 1 46192 37302 1 49666 1 28901 26742 32293 27327 37652 33412 202.0459 *202.0459* 202.0459@0.92295355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0459 *202.0466* C8 H10 O6 1539545 1568260 1383443 1408236 2248136 2244030 2127913 2280307 1619145 1615295 1470006 1494160 1582419 1556353 1505352 1252747 1669343 1452800 1359048 1381199 148990 1800899 1569544 1575067 1713850 1701456 1501475 1487845 1573196 1580671 1819798 1795141 1246935 1277537 1798600 1809251 1530528 1535832 1433184 1414494 1492179 1501087 1602710 1631010 1729444 1757431 2168161 2167982 1625686 1616845 1782200 1806947 1830934 1850749 1541380 1601608 1828678 1803222 1805827 1807744 1635251 1623018 1358086 1340747 1552305 1537221 1509515 1536646 1318212 1332751 1435594 1418801 2185424 2134565 1528724 1500975 1008995 1412115 1376631 1383269 1423924 1435176 1752923 1718111 1351289 1349206 1183148 1182957 1894430 1893008 202.0466 *202.0472* 202.0472@3.7054825 1 1 1 1 4301 6803 3802 1 5490 5194 4284 1 1 16756 1 1 1 1 1 1 1 1 1 7644 1 1 1 1 1 1 1 1 3720 1 1 1 1 1 1 1 1 6243 1 1 1 1131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2673 1 1 1 1 1 1 1 1 1 1 9542 1 1 1 1 1 1 1 1 1 1 1190 8494 8028 1 2781 1 1 202.0472 *202.0474* C8 H11 Cl N2 O2 1 1 1167 2133 8129 1688 1 3843 7495 2062 1 1 1 1 1 3412 1 3259 1 2656 1 1 1 1370 1543 1 3602 4068 1630 1 4024 1 2110 2329 1690 2065 1 1 1564 1 3426 1443 1317 2638 1 1189 7546 7350 6315 2570 2812 1 1 5470 1910 1632 1855 1 2241 8124 2707 1643 1 2427 4953 1900 2497 1 1 1 2836 3087 10901 4278 1709 1 1823 1768 2763 2741 1 1334 1 3437 2285 2860 1 1 1 1 202.0474 *202.0484* 202.0484@1.3555846 1 1 1 1 1 4212 1 4592 1 1 1 1 1 1 1 1 1 1759 1 1 1 1 1 2044 7244 1 1 1843 2359 1 4332 1 1 3277 1 2887 1 1 1 1 1 1 1644 1 1 2791 1210 1 1444 1 1 1 1 1 1 1 1 1 3314 1 1 1 1 1 1 1 1 1 1 1 1 2859 1 1611 2068 1 1 3041 1 1 1 1 1 4173 1 1707 1 1 1 1 202.0484 *202.0486* 202.0486@2.1043112 1 1 1 1 1 1 1 1 1 1 1 1 1 1232 1 1 1 1 1 1 1 1 1 1 1 1 1 2472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0486 *202.0487* 202.0487@1.7584066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3046 1 1 1 1 1 1 1 1 1 1 1 1 1363 1 1 1 1 1560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1000 1 1231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0487 *202.0489* 202.0489@1.406517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2252 1 1 1 1 1 1 1 1 1 1 1 2799 1 1 1 1 1 1 1 1 1 1 1282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0489 *202.0497* C9 H6 N4 O2 1 4979 1 1 1 1 1 3854 1 1 3154 3675 1 1 4097 2601 1 1 2776 2848 2303 2185 3854 1 3545 3636 1 1 2979 3194 1 1 1 3308 3385 3446 1384 1407 3219 2668 6788 1 1362 1817 1143 1973 1 1 2188 1787 1921 1663 1 1184 1005 1 1322 1425 2674 3106 2455 2820 1 1 3315 1 1 1 3914 3450 1 3629 5873 1 1 1 1 1 1 4062 2381 1661 1 2011 1 1 3243 1041 1421 2977 202.0497 *202.0534* 202.0534@1.7939998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0534 *202.057* 202.057@4.5503864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1407 1 1 1 202.057 *202.0776* 202.0776@7.4331446 1 1 1 1198 1 1 1 1 1 1551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1397 1 1 1 1 1 1 202.0776 *202.083* 202.083@7.4391975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.083 *202.0844* 202.0844@3.463572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2294 1 1 1 1 1 1 1 1 1 202.0844 *202.0934* 202.0934@3.4251955 1 1 1 1 2166 1 1 1 1 1 1 1 1757 1 1 1798 1 2134 1662 1797 1 1 1 1829 1 1385 1227 1049 1 1 1865 1 1 1221 1 1 1 1 1 1 1 1 1 1 1 1673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1889 1 1 1 1 1 1 1 1 1 1 1 202.0934 *202.0978* 202.0978@3.4424791 1 1 5144 4785 1 5009 1 1 1912 1109 1 2902 1189 1886 1 1238 1674 1 1713 1 1784 1 1 1970 1 1817 1 1 2067 1 1 1595 1978 1 1 1 1065 1 1 1712 1 1 3300 3272 1 1 1 1 1727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0978 *202.0983* 202.0983@8.975585 2984 2366 2862 2606 2551 2744 2510 2751 2835 3047 2069 2452 2691 2422 1993 2470 2466 2404 2618 2490 2444 2809 2478 2606 2477 2790 2441 2858 2527 2028 2579 1963 2568 2458 2394 2553 2409 2519 2516 2328 2788 2555 2553 2362 2157 2002 2375 2082 2411 2046 2562 2353 2301 2479 2173 1 2528 2737 2571 2615 2770 1793 2391 2179 2154 2549 2504 2183 2761 1958 2425 2301 2316 2317 2385 2298 2169 2361 1989 2208 2002 2176 2198 2200 2345 2065 2278 2237 2306 2116 202.0983 *202.0983* 202.0983@3.357875 1 1 1 1 1 1 1 1 1497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0983 *202.0992* C13 H14 O2 8815 9165 8599 9152 8418 8171 8220 8564 8003 9456 9128 9092 8935 8226 9066 9354 8342 9171 8863 8590 8374 8219 8866 8419 9072 8518 8654 8068 7709 8558 8128 8443 8481 8250 8126 9013 9028 8577 7949 8694 7893 8797 8543 8771 8590 8395 8531 8991 7557 8012 7940 8455 8921 8039 8714 9209 6944 9144 8367 7788 8027 8934 8220 7273 8578 9143 8172 7953 7579 8238 8125 7944 7463 8081 8614 7574 7882 8665 7734 8362 8335 7478 7898 7687 7919 8003 7954 8573 7756 8209 202.0992 *202.119* 202.119@4.274139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.119 *202.1296* 202.1296@1.9565923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2280 2662 1 1 1 1 1 1 1 1 1 1 202.1296 *202.1302* 202.1302@4.8953714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1606 1778 1 1 1 1 1 1 1 1 1 1 202.1302 *202.131* 202.131@1.529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.131 *202.131* 202.131@1.1928036 1 1 1 1 1 1 4444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2145 1 1 1 1 1 1 2478 1 1 1 1 1 1 1 1 1 1 1 1 1 5224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6980 1 1 1 1 1 1 1 1 1 1 202.131 *202.1311* 202.1311@3.2344701 1 1 1 1 1 1 1 1 1 1 1 1 1 1033 1 1 1 1 1 1 1 1 1248 1118 1 1 1 1 1 1 1 1 1 1 1 1 1141 1469 1 1 1 1 1 1 1239 1000 1139 1 1 1 1166 1303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.1311 *202.1315* Ile Ala 9497 8315 8613 8492 8727 9362 12348 12727 8075 7830 9162 9348 8761 8968 8963 8220 8902 9090 13234 11780 8413 8362 9900 11380 10937 8912 8100 8290 6916 7892 15500 13419 9263 9572 13073 12148 15215 15747 13919 13509 13829 16098 9544 10305 8958 8075 10703 11477 6475 8036 11091 13221 15116 15115 8327 8534 3423 4292 11875 11854 11461 10992 12387 11875 11041 11915 8400 9334 10451 9425 13117 14322 10333 9921 6891 7462 11308 12627 11157 12524 10877 11207 10307 10738 11680 12698 11118 9985 13041 11806 202.1315 *202.1316* 202.1316@1.404999 1 1 1 1 1203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1566 4604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1131 1 202.1316 *202.1319* 202.1319@1.273553 47527 1 43873 44102 47528 48806 4069 1 1 3093 1 1 46691 44536 1 1 1 1 1 62181 54946 57200 1 1 3545 1 1 1 1 1 1 1 1 1 74687 74020 1982 1 78395 78755 82290 4008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 54137 53876 1 1 1023 1 1 1 1 1 7587 1 202.1319 *202.1352* 202.1352@1.2155149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.1352 *202.142* 202.142@1.0808848 1 1 1 1 1 2747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5419 1 1 1 1 1 1 1 1 6964 1 1 6851 1 5156 3561 1 1 1 1 1 1 1 1 1 1 1 5195 1 1 1 1 1 1 1 1 1 1 1 1 1 9878 1 1 1 1 1 1 1 1 1 1 1 202.142 *202.143* Asymmetric dimethylarginine 54359 56248 61972 62148 41344 37260 47448 47177 46256 45951 53242 55160 58743 61030 72465 69853 66175 63648 62430 64497 82325 79150 44792 44018 41235 39455 61477 62404 46627 45646 90103 90540 75127 71762 46244 47648 49051 44922 53456 51367 47166 47907 47409 47627 54935 56018 52724 57290 73237 67871 56669 53421 47756 54322 33399 34861 59355 61062 44597 44597 77150 76511 88919 89161 65047 69059 87740 89708 72022 69574 61855 59619 52484 53667 74732 74290 56558 57124 59303 64866 54176 53715 46570 44420 52383 51891 72292 70385 44799 45237 HMDB03334 202.143 *202.1608* 202.1608@1.2009835 1454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1542 1 1 1 1 1 1 1 1345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.1608 *202.1655* 202.1655@1.1986779 1 1 2086 1516 1 1 1 1 1 1 1 1 1 1101 1 1 1 1 1 1 1 1 1 1799 1461 1368 1 1 1 1 1 1 1 1 1 1100 3240 3614 1 1 1 1265 1 1502 1 1882 1 1 1 1 1 1 2348 2509 1952 2099 1 1 1 1 1 1 3621 3153 1607 2028 1 1415 1 1 2564 2345 1059 1113 1 1 1039 2036 1727 1 1 1 2165 1963 1766 1 1 1 2463 2744 202.1655 *202.1748* 202.1748@2.146575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1150 1 1 1 1 1 1 2024 1 1 1 1 202.1748 *202.1756* 202.1756@2.160156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13502 13698 16816 1 1 4175 10780 1 1 2791 1 1 1 1 4481 3956 3958 1 4908 9026 1 1 1 1 1 2384 1 1 1 1 202.1756 *202.2517* 202.2517@1.2455697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 202.2517 *202.8472* 202.8472@0.8859886 1 1 1 1 1 1 1 1 1320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.8472 *202.8532* 202.8532@0.8874307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1147 1 1 1 1 1 1 1 1 1 1 1251 1 1466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1258 1 1 2283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1154 1 1 1 1 1 1 1363 1 1 1 1 1 1 202.8532 *202.8641* 202.8641@0.8890004 1 1 1 1 1 1 1667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1012 1 1 1 1308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1395 1 1 1 202.8641 *202.881* 202.881@0.8905114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1558 1 202.881 *202.8943* 202.8943@0.8886669 1 1695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1151 1 1 1 1 1 1 202.8943 *202.9044* 202.9044@0.89154756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.9044 *202.906* 202.906@0.887973 1 1 1 1 1 1 1 1 1 1 1 1 1 1219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.906 *202.9078* 202.9078@0.8868328 1 1 1 1 1 1105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1265 1 1 1 1 1 1 1 1 1 1542 1 1 1 1 1 1 1 1 1 1 1 1 1283 1312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.9078 *202.9182* 202.9182@0.8860094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.9182 *202.935* 202.935@0.8829801 1 1 1 1 1 1 1 1 1 1366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.935 *202.9448* 202.9448@0.88847464 1 1 1 1 1 1 1837 1 1 1 1 1 1 1 1342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.9448 *203.0352* 203.0352@0.7710026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1329 1279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1408 1 1 1 1 1 1345 1 1 1 1 1 1 1 1 1462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1361 1 1 1 1 203.0352 *203.0493* 203.0493@0.91434085 1 1 1 1 1 1 1 1 1 1 6800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2122 1 1 1 1 2025 1 1 1 1 1 1 1 1 1 1 10210 1 1 1 1152 1 1 6430 1 1 1 1 1 1 1 1 12212 1 1 1 1 1 1 1 1 1 1 1 1 2772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10458 203.0493 *203.0542* 203.0542@1.810063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.0542 *203.0543* 203.0543@0.95899296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2315 1 1 1 1 1 1 1 1 1 3671 1 1 1 1 1 1 1 1 1 1 1 1 4243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.0543 *203.0554* 203.0554@4.6842823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1004 1 1 1 1 1 1 1 1 1 1 203.0554 *203.0554* 203.0554@3.967572 1 1 1 1 1547 1393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4410 203.0554 *203.0562* 203.0562@1.4604672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.0562 *203.0567* 203.0567@1.4396116 1 1 1 1 1 1 1 1 1 1 5896 1 1404 4276 1 1 1 1516 1 1 1 1642 1 1 1 1683 1 1 1 1 1 1 1 1 1417 1 1 1 1 1226 1 1 1 1169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3014 3478 1472 1686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.0567 *203.0576* 3-(3-Indolyl)-2-oxopropanoic acid 1672 1 4206 3924 2102 1403 1 3231 1 1 6290 5050 3902 4076 3481 2703 3707 1 2731 1734 1 1 1 1 3013 2840 1 1 1 1 2850 2297 1832 1 1 1 1 1543 1246 3120 1 4783 1 4334 1 1 1 1 1973 1 2604 2980 1 1206 2882 2304 1 2283 2962 1 1 1 2942 3118 3177 1434 1 1 3798 3241 3056 2204 4474 1 1 1585 1 1 4215 2246 1 1 3753 1 2264 2119 5448 1 1 1231 203.0576 *203.0603* 203.0603@1.7146591 2297 1 1 1 1 1135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1308 1381 1 1 203.0603 *203.0609* 203.0609@0.9778725 1 1 1 1 1534 1 3432 1 1673 1 1 1 1 1 3413 1 1 1 1 1 1 1 1 1 1 1 2362 2874 1 1 1 3206 1 1 1 2293 1 1 1 1 1 1 1 1 1 1 3423 1 1 2352 1 1 1 1 1 2357 1 1 2612 1 1 1 1 2279 1 1 1 1702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1934 1 1 1 203.0609 *203.0707* 203.0707@0.9817562 1 1 2578 3069 1 1 1 1 1 1683 1 2054 1826 1 1 1991 1 1 2974 2782 2967 1 1 1743 1 1 1 1 1 1 1983 1 1 1 1 1 2626 3372 1 2964 1 1 1 1376 1 1 1 1 2286 1 1 1 1 2845 1498 1 2409 1926 1 1 1945 1 2903 1 2356 1554 1 1 2918 2210 3442 2983 1 1 1 1463 1816 3392 1 1 2487 1664 1 1 3383 2550 1 1365 1 1 203.0707 *203.0807* C8 H14 Cl N3 O 1 1 1 1 1257 1713 2291 1930 1144 1 1273 1 1205 1134 1 1020 1307 1473 1817 1411 1189 1040 1542 1817 1 1 1 1 1 1068 1728 1 1288 1375 1289 1163 1518 1745 1292 1303 1555 1526 1 1 1067 1064 1899 3141 1436 1375 1223 1428 1714 2555 1109 1 1 1 1503 2174 1806 1683 1 1054 1 1371 1 1 1384 1433 2420 1814 2141 1389 1338 1293 1865 1892 1 1 1382 1222 1228 1407 1674 1739 1 1 2413 1174 203.0807 *203.1062* 203.1062@3.0116806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4300 3450 1 1 1 1 1 1 1 1 1 1 203.1062 *203.1064* 203.1064@1.1035397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1989 1104 1 1 1 1 1 1 1 1 1 1 203.1064 *203.1159* L-Glutamic acid n-butyl ester 56336 66269 85388 82531 114318 115012 104863 113501 70404 69051 115624 101156 78962 75729 91880 97119 98304 96057 119771 126542 62768 63237 52510 60776 48850 45703 129619 135848 52324 55863 108556 110286 127931 136197 30116 31126 75509 79954 69555 69287 62464 60779 115458 112313 68678 71262 92637 78263 100016 102514 54041 52079 106322 103880 57075 74209 31770 54638 44653 43656 64117 62318 86752 93888 91916 96179 78456 84943 110309 109451 71042 71979 90090 93713 59432 51020 76752 78587 50893 51444 49885 51202 138077 139205 58693 66482 180139 177872 44304 35921 203.1159 *203.116* 203.116@1.4217625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8262 1 1 1 1 1 1 1 1 6556 1 1 1 1 1 203.116 *203.1163* 203.1163@1.307008 1 1 10067 1 1 1 1 1 1 1 1 1 1 1 8017 1 1 1 77127 1 1 1 6512 1 1 1 1 1 1 1 1 1 46792 1 1 1 29563 1 1 1 98026 1 171597 6541 10011 1 1 1 1 1 1 1 1 1 54943 1 4875 1 36741 1 1 1 1 1 1 1 1 1 1 90461 1 1 31148 1 1 1 1 26208 69062 3431 1 1 1 1 60949 41390 1 1 1 1 203.1163 *203.1167* Isopentenyladenine 212728 218258 274098 274785 377637 389558 361850 364273 230726 229077 368896 366551 253784 257667 345397 329379 374067 381963 318442 391814 215018 217765 195120 197197 159044 155991 422586 425701 179747 179493 377413 368980 413128 453045 114468 111717 243116 267218 233256 232443 122720 214569 189929 352144 236249 240377 324618 319351 355438 359945 166286 164141 335798 334722 166376 222269 184113 189523 117731 155960 241546 245521 292751 286934 302052 316203 267995 267599 329264 131135 250200 234163 266740 300101 201954 202957 251555 237078 123870 194086 167100 170196 449214 445482 165760 180061 563428 557333 146960 143313 HMDB02313 203.1167 *203.1267* 203.1267@2.3661156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3687 4020 1 1 1 1 1 1 1 1 1 1 6547 13832 1 1 1 1 1 1 1 1 1 1 203.1267 *203.1272* 203.1272@2.0774443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3490 1 1 1 1 1 1 1 1 1 1 1 15069 8151 1 1 1 1 1 1 1 1 1 1 203.1272 *203.1272* 203.1272@2.2124565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1625 1 1 1 1 1 1 1 1 1 1 1 2836 4877 1 1 1 1 1 1 1 1 1 1 203.1272 *203.131* 203.131@0.92735815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1043 1 1 1 1 1 1 1 1 1 6330 5684 1 1 1 1 1 1 1 1 1 1 203.131 *203.151* 203.151@4.6014094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1342 1 1 1 1 1 1 1 1 1687 1659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.151 *203.1689* 203.1689@0.88550615 1 1450 1 1 1 1 2347 2598 1 1 1 1 1 1 1 1455 2078 1 1 2141 1 1 1 1 1952 1 1395 1 1 1 1889 1321 1 1 1 1865 1 1 2121 1 1 1 1086 1 1 1 3057 3443 1 1 1 1 1 1 1 1 2012 1 1 1306 1 1 1 1 1781 1 1 1 1 1550 1 1 1 1 1408 1 1 1 1 1 1 1063 1 1099 1 1 1 1680 2842 1 203.1689 *203.2075* 203.2075@0.8845038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.2075 *203.2134* 203.2134@0.88483906 1 1 1 1 1 1612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1399 1104 1 1 1 1 1 1 1 1 1565 1 1 1 1178 1 1 1 1 1 1 1 1 1 1 1 1066 1 1 1 1 1 1 1 1 1 203.2134 *203.2188* 203.2188@0.8874176 1 1 1 1 1764 1 1749 1 1 1 1 1 1 1 1 1 1451 1 1 1 1 1865 1 1 1 1556 1 1 1602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1218 1 1 2003 1 1 1 1 1046 1 1149 1 1 1 1 1 1 1 1 1 1 1207 1 1 1 1 1 1 1 1 1 1089 1 1 1 1 1 1 1 1 203.2188 *203.225* 203.225@0.88650525 1 1 1 1 1 1 1 1 1 1 1 1137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.225 *203.2351* 203.2351@1.2472343 1 3456 4033 1 7636 8360 5832 7076 4139 3231 7452 6159 4542 4566 6566 6576 7773 7838 7909 8056 3684 3935 2610 1 1918 1914 9701 7506 2726 2297 7141 8053 10063 10552 1348 1147 3970 4707 3133 3144 1 3855 6717 7203 3373 3544 6228 5631 7490 7092 2489 2627 6910 7053 3898 3406 2643 2862 2151 1 1 1 3921 5807 5951 6445 4495 4456 6317 6942 3394 4123 5565 5198 3167 2666 4672 4349 2604 3169 2549 1 9534 9468 4245 3949 1 1 2229 1 203.2351 *203.2383* 203.2383@0.89202446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1578 203.2383 *203.2425* 203.2425@0.8880099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1635 1 203.2425 *203.2522* 203.2522@0.8879783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.2522 *203.9503* C5 H4 N2 O S3 4786 5267 5712 4803 5257 4266 5399 5053 4749 4904 4519 4698 4025 5023 5306 4653 4928 4883 4330 5091 4135 4188 5342 5720 4817 4490 4695 4305 4226 4808 4812 5518 5257 5099 4574 5279 5544 5342 5688 5141 5301 4742 5296 5895 4349 5415 5043 5446 5574 5701 5137 5160 4874 5737 4115 4797 5123 4794 5414 6041 5135 5084 4759 5614 5367 4941 4812 5472 5204 4991 6244 5057 5179 4543 4973 5445 4151 4824 5232 5076 5034 4911 5602 5336 5632 4712 5014 4891 4610 4151 203.9503 *204.0129* 204.0129@0.7746692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1269 1 1083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.0129 *204.0202* 204.0202@0.773168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1387 1268 1651 1 1 1488 1 1292 1267 1 1222 1 1313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1247 1 1 1 1413 1 1 1 1 1 1356 1 1 1 1 1 1 1 1 1546 1200 1 1 1 1 204.0202 *204.0251* Oxaloglutarate 1 1080 1 1 1264 1 1 1364 1 1 1 1 1057 1 1 1 1 1130 1055 1 1 1195 1 1 1227 1270 1433 1153 1304 1 1 1 1 1 1 1 1 1 1 1195 1 1 1 1465 1 1495 1131 1 1418 1428 1 1252 1 1310 1344 1374 1207 1 1129 1241 1 1 1 1 1 1 1 1 1 1 1 1 1 1226 1 1 1 1 1 1352 1 1 1470 1437 1 1 1262 1355 1 1258 C05533 204.0251 *204.0349* 204.0349@1.1949869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1156 1 1 1 1 1 1 1 1 1 1 1 1 1628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.0349 *204.0411* 204.0411@1.192984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.0411 *204.0437* 204.0437@1.9090674 1 1 3139 2156 1 1 2193 1 9679 7880 5540 2983 4742 2055 12704 23355 2113 1 2870 7482 1 1 2427 1 1 1 1 1563 1 1 3782 6915 1 1 3390 2786 2451 1746 5121 2860 4423 7211 1 1718 4275 7121 3266 2807 2076 1862 4286 2983 2313 1 1 1092 2121 1348 7349 9003 1 1 2336 8029 1 2762 5205 5194 7069 6139 4954 3017 1 1 1876 1 3794 3013 1 1 1 1 5271 1 15324 38501 4802 4593 1 3933 204.0437 *204.0439* 204.0439@1.9477696 1 1 1 1 3212 1240 1343 7396 12021 1 1 2441 1 2374 10946 1 1 1112 1 1 1 1 5161 2172 1 1 1831 1 1 1 3279 1 1 1 2309 4322 2066 2388 1412 1143 3012 1 1 1 3164 1 1578 1 2025 2676 1 1136 1 1 2294 2445 1901 1639 8697 5370 1280 1 1 1 1 2105 1 1 10620 11665 1 1984 1 1 1 1 2766 3658 1 4488 4849 2348 1 1 21659 1 4599 5165 1 1 204.0439 *204.0452* 204.0452@1.9459918 1 1 1 1 1 1 3573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 1 1 1 1 1 1 1675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.0452 *204.0531* 204.0531@1.1865003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.0531 *204.0586* 204.0586@1.183401 1 1 1 1 1 1030 1 1 1 1263 1 1 1 1 1 1001 1653 1496 1 1 2083 1184 1 1 1634 1208 1 1129 1089 1 1 1 1 1 1 1 1 1 1 1 1214 1 1591 1 1 1 1 2241 1 1 1 1 1 1377 1 1 1203 1 1157 1 1246 1320 1855 1175 1404 1160 1 1 1 1 1411 1338 2692 2035 1 1 1 1 1 1 1 1 1 1 1138 1480 1486 1 1 1 204.0586 *204.0593* 204.0593@6.1693134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1528 1360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.0593 *204.0598* C4 H8 N6 O4 81902 83350 79434 81616 1 202874 1 172880 99135 97907 82915 82706 83782 84069 80381 79483 106943 107303 79761 78580 1 248664 88257 87663 86174 86504 78891 78596 83969 84413 141270 138074 62087 62835 122855 123305 95594 97416 91585 87257 89386 87095 89050 89390 74176 74817 157701 157246 86268 84518 105518 108189 100889 97803 87068 88637 116170 116218 128769 132446 89269 93560 83747 81825 92486 90156 74065 75331 63285 65287 1 106752 1 156742 103844 101069 76024 75843 163908 166378 78239 80162 91750 90932 93792 1 51910 48840 194420 192819 204.0598 *204.0679* 204.0679@0.827026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.0679 *204.0787* LEVULINIC ACID, 3-BENZYLIDENYL- + 11.658154 1934 2409 13091 2681 1458 15655 2261 2532 1165 1 2394 12440 1 12386 1 13589 1 1748 15913 2115 2308 15683 1 2393 15144 13103 12712 13156 1 12690 13924 1237 2113 1 1 1 1890 11880 2263 2001 14465 11448 11750 12287 2124 14350 1 2087 11777 14288 2064 1809 1 11924 1 1 6871 1991 1 11324 1 1 12920 2233 2138 1639 2001 10758 11376 10431 11146 1487 1 12171 9280 11920 1579 1806 1 1648 1 10900 1 1377 12615 10179 2201 1893 1 1 204.0787 *204.079* LEVULINIC ACID, 3-BENZYLIDENYL- 12555 13370 1 13787 12117 1 11956 13440 15470 12703 13466 2377 12059 1 13664 2250 12879 14156 1 12179 12608 1 14859 11843 1 2343 1 1 14209 1 1 11554 11203 12196 11575 12021 12519 1 11892 11900 1 1 1 1 12329 1 11236 11238 1 1 12131 11857 12032 1 10792 11785 4182 11587 14053 1 10988 11180 1 11815 11353 10603 10556 1 1 1 1 11411 12628 1 2496 1 10652 10473 11127 11386 12766 1 12203 10856 1 1 10259 11575 12410 10699 204.079 *204.0793* 204.0793@11.604793 1 1 1 1151 2391 1 1154 1 1 2396 1 1 2644 1570 1978 1055 2442 1 1 1 1 1 1 1 1 1 2178 1658 1 2279 1 2251 1 2420 1862 2074 1 2060 1 1 1 1978 2738 2247 1 1 2048 1 1446 1 1 1 2184 2077 1 1829 1395 1 1 1920 1930 1937 1 1 1 1 1 1 1821 1796 1958 1 1 1640 1682 1 1036 1 2150 1 1 1456 1 1705 1 1969 1 1 1 1555 204.0793 *204.082* 204.082@0.8386816 1 1 1 1256 1 2746 1 3199 1301 1 3888 3648 1 1 1 1 3061 1 1 1 1 1 1878 1 1205 1355 1 1 1 3316 1 3910 1517 1285 1 1 6071 4512 1 3583 1005 1 1 1441 1 1 1 1 3950 1 1 1361 1 1121 1 1282 1136 1269 1 1360 1 4377 1 1363 1 1 1 1 1 1 1 1 1 1062 1 1 1 1 4419 3517 3332 3209 1 1 1 1 1 1 1059 1 204.082 *204.0847* 204.0847@0.82866716 1 1 1 1 1 1 3386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.0847 *204.0858* 204.0858@4.1967354 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.0858 *204.1047* 204.1047@1.0249747 1 1 1 1 1 1 1 1 1 1131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.1047 *204.1105* 204.1105@1.0274798 1206 1 1 1 1 1 1024 1 1 1 1 1 1 1 1 1 1 1 1299 1 1 1 1003 1191 1 1 1 1 1 1 1 1 1 1 1 1 1526 1635 1088 1 1296 1250 1 1 1 1 1 1 1 1 1 1 1436 1338 1 1 1 1 1389 1063 1232 1059 1 1022 1 1073 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 1341 1202 1 1 1 1 204.1105 *204.1128* 204.1128@6.601308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1751 2982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.1128 *204.1145* 204.1145@1.0310192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.1145 *204.118* 204.118@1.3366556 1 1 1 1 1 1 1 1247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1308 1 1 1 1 1223 1 1 1 1 1 1 1 1 1 1 3170 1 1 1 1 1 1 1 1 1 1198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1252 1 1234 1 1 1 1 1 1 1 1 1 1385 1 1 1 1 1 1 204.118 *204.118* 204.118@1.4242038 1 1 1 1 1 1 1 1 1 1 2270 1310 1 1 1 2268 1 1 1 1 1 1 1 1 1 1 1 1344 1 1 1 1720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1630 1 1 1 1 1 1 1 1124 4261 1 1834 1 1 3614 1529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.118 *204.14* 204.14@0.9075061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.14 *204.1443* C8 H20 N4 S 7037 5821 6263 7564 4049 3349 7127 8546 4016 6836 8213 7722 7197 7992 3982 1 6075 7031 7779 11960 6871 6253 7308 8285 3340 4814 4785 5974 5783 6393 9995 10444 9602 8335 6630 7202 5226 10135 8155 6954 9378 6694 7422 6635 7153 6872 1 6897 8099 5995 5690 6548 6110 1 8062 6329 5279 5820 7634 8262 7632 10360 10875 10454 7741 6718 1 8082 7440 10364 10132 9025 2572 6443 3776 4117 9236 5743 5807 1 7123 8939 1113 9619 1 12615 6184 5899 9510 8382 204.1443 *204.1464* 204.1464@0.8321867 1 1 1 1 2771 2983 1 1 2766 1 1 1 1 1 2690 1 1 1 17423 1 1 1 1 1 1895 1 1804 1 1 1 1 1 1 1 1 1 20124 1 2679 1 1 1 1 1 2687 14734 1 1 1 1 1 1 5182 17954 1 1 1 1 1 1 1 1 1805 1 1 3036 11094 1 2814 1 1 1 1822 1 1928 2168 1 2962 1 14284 6534 3542 6940 1 18288 1 2409 2736 1 1 204.1464 *204.225* 204.225@0.89297795 1 1 1 1 1174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.225 *204.2259* 204.2259@0.88752645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1156 1 1 1 1 1 1 1 1 1 1 1059 204.2259 *205.0088* 205.0088@1.1970075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.0088 *205.0843* 205.0843@0.8837485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10289 9269 1 1 1 1 9890 10722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.0843 *205.0908* 205.0908@0.8785025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9288 10706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.0908 *205.111* 205.111@5.3045006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1402 1362 1 1 1 1 1 1 1 1 1 1 1 1 205.111 *205.1682* 205.1682@3.7483113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1207 1007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.1682 *205.8868* C3 H4 Cl2 S3 46780 47219 74730 47367 45932 46939 45332 75739 77886 45660 44772 45815 77573 78655 47588 79337 77290 48485 46641 76304 46816 47870 78866 77287 46191 46156 76632 46251 77626 77445 46617 76442 77876 47740 79731 47133 48191 46849 77731 75612 45431 46167 77843 78269 45309 77810 78606 79309 84713 49250 80811 78281 49256 49620 75483 45879 47237 77781 79271 47712 75949 77046 46972 46779 45600 44309 45781 45964 44824 44800 45580 78363 48178 74851 47192 75791 43840 45580 75596 46989 45642 44549 48371 46810 45677 47360 45165 45389 46086 46102 205.8868 *206.0077* 206.0077@0.8738968 1 1 1 1 1 1 1 1 1275 1 1 1 1 1 1 1 14764 1 1 1258 1 1 1 1 1197 15801 1 1 1 16887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20044 1 1 1 1 1803 1477 1 1280 1 1297 1 1 1 1 1 1 1 1319 1 1 1 1 1 1 1 1 2033 1692 1 1 1 1267 1 1531 1 1 1934 1052 1 1 1 1 206.0077 *206.0086* C7 H10 O3 S2 14899 16779 14581 13921 16008 13479 17319 18701 17802 19631 18167 18586 14632 13722 14729 14349 1198 16650 14477 14724 15135 14377 14251 13531 15866 1427 12861 12869 18490 1158 15547 14462 14531 14141 16744 17238 18036 20226 12284 11741 18597 19386 16439 16726 16963 15389 20009 1203 17173 15533 16215 18285 17171 15991 16229 15996 14367 11133 16101 14367 19620 18126 16274 14382 18309 15799 10091 10658 14665 13083 11490 11822 16228 18597 14256 13802 14524 16844 13516 14824 11929 11893 13193 12313 16005 17379 16905 18141 13067 14342 206.0086 *206.0125* 206.0125@0.8820112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.0125 *206.0601* 206.0601@0.8975021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.0601 *206.0824* 206.0824@3.364738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2583 2845 1 1 1 1 1 1 2083 2297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.0824 *206.1034* 206.1034@3.6403484 1 1 1 1 1 1 1 1 1 1 1 1 1 1073 1 1 1 6908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19925 20433 206.1034 *206.1036* 206.1036@5.1101875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.1036 *206.1047* 206.1047@4.0380015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.1047 *206.106* 206.106@4.5801744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.106 *206.1067* 206.1067@4.5266595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5316259 5155108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.1067 *206.1108* 206.1108@3.6934767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2553 2304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2560 2066 1 1 1 1 1 1 1 1 1 1 206.1108 *206.1292* 206.1292@5.190579 1 1 1 1 1 1 1 1 1 1 1446 1201 1235 1112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1461 1 1 1 1 1 1 1659 1706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2932 3001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1250 1 1 1 1 1 1682 1972 206.1292 *206.1381* 206.1381@0.95257103 1 1 1 1 1 1 1619 1 1 1 1 1212 1 1 1 1 1 1 1 1126 1 1486 1 1 1 1 1959 1756 1 1 1 1 1795 1707 1 1449 1 1088 1994 1 1 1 1 1 1018 1371 1 1 2188 2024 1 1 1 1376 1 1 1 1 1 1 1381 1 1 1 1 1 1 1 1103 1070 1 1 1 1384 1936 1 1 1 1 1 1 1 1 1 1 1897 1 1 1088 1 206.1381 *206.1388* 206.1388@0.95346874 1 1 1080 1 1 1 1 1641 1 1 1246 1 1 1 1 1 1678 1500 1 1 1674 1 1 1 1 1 1 1 1 1 2142 2222 1 1 1415 1 1044 1 1 1789 3030 2777 2061 2026 1 1 1381 1586 1 1 1 1 1467 1 1 1 2204 2401 1 1 1 1519 1894 1668 1 1 1573 1384 1 1 1 1 1 1 1 2111 1 1043 1215 1370 1665 1573 1 1 1917 1 1607 1760 1 1188 206.1388 *206.1414* 206.1414@4.519997 1 1 1 1 1 1 1631 1572 1 1 1 1 1 1 3522 3026 1294 1 1 1 1 1 1 1 1 1 1 1 1 1 81112 79496 1 1 1 1072 1 1 1 1 1 1 1 1 1 1 1 1 1 1205 1 1 1 1 1 1 1 1 4554 3985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2288 2115 1 1 4085 3378 3829 4679 1443 1494 1 1 1 1 206.1414 *206.1439* 206.1439@6.213364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.1439 *206.1497* 206.1497@5.673631 1 1 1905 1 1 1 1 2052 1 1 1936 1 2780 2419 1887 2266 1 1 2274 1019 2902 3008 2230 2458 1 2898 3276 2929 1927 1 1982 1223 2190 1935 3327 1630 2696 2227 1506 2032 1 1 1 1 1 1 1 1 1 1 1 1 2051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2790 1 1 1 1 1 1 1 1 1 1842 2627 1 1 1 1 1 1 1 1 2258 1562 206.1497 *206.1503* 206.1503@5.7480426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.1503 *206.1504* 206.1504@5.702771 1 1 1 1 1 1 1 1 1 1 1 1 2922 1 1 1 1 1 2997 2583 1 1990 1 2188 1 3035 1 3225 1447 1 2035 1 1 1 1428 1 1 1 1031 1253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2108 2447 206.1504 *206.1507* C6 H18 N6 O2 2304 2477 2345 1791 2013 2321 2536 2691 2025 2163 2497 1651 2609 2355 2651 3288 2233 2314 2095 2048 2273 2641 2423 2376 2671 2521 1931 2778 2707 1881 2281 1915 2231 2426 2476 1923 2384 1927 2535 2170 1544 2180 2271 2032 2404 1736 1800 2087 1489 2098 1800 1516 2589 2592 1457 1577 2583 1557 2170 2624 2035 1 1559 1206 2534 2966 2226 2131 1450 1 1571 1 1709 2009 2056 2304 1332 1508 2708 1588 2097 1433 1798 1279 2070 2232 1782 1419 1848 1843 206.1507 *206.1532* 206.1532@0.9567452 1 1 1 1 3540 3363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2626 2602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.1532 *206.8939* 206.8939@4.53715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.8939 *206.9611* 206.9611@4.5261493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.9611 *207.0642* 207.0642@1.2380465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7294 1 1 1 1 1 1 1 1 1 1 207.0642 *207.0695* 207.0695@1.2340091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207.0695 *207.0899* 207.0899@6.217086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30051 30561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207.0899 *207.126* 207.126@5.809511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2798 2504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207.126 *207.1466* 207.1466@2.4667754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1102 1 2276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1648 2474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207.1466 *207.2299* 207.2299@4.52617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207.2299 *207.884* 207.884@0.8381687 30610 30103 1 29879 29968 29123 29420 1 1 29418 28820 30118 1 1 30209 1 1 30670 28922 1 29505 30255 1 1 28851 29246 1 28946 1 1 29969 1 1 30359 1 30544 30347 31787 1 1 29398 29350 1 1 29086 1 1 1 1 31441 1 1 31991 31639 1 29803 29294 1 1 30243 1 1 29687 29476 29706 27286 30835 28644 28614 29678 28980 1 29816 1 28382 1 29021 29706 1 29230 28763 29249 32353 30409 29212 29880 29136 28129 29764 28920 207.884 *207.9962* C4 H4 N2 O8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1379 1 1743 2190 1 1 1 1 1 1554 1 1 1 1 4161 2086 1 1 1 1 1 1 1 1 1 1 1 1 3327 1951 3114 2898 3910 2852 2386 3533 2403 3882 1 1 2674 3515 1257 1 3944 2837 1 1 2713 3092 2117 1 1 1 3872 2234 3436 1978 1 1 5025 5058 1 4018 1644 2018 2927 1 207.9962 *208.0062* 208.0062@0.83899546 1 1 1 1 1 1292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1137 1043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.0062 *208.0357* 208.0357@2.9991794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1152 1474 1 1 1 1 1 1 1 1 1 1 208.0357 *208.0506* Cys Ser 2053 2244 2170 2306 1484 1334 1534 1734 1673 2136 2739 2333 1733 1882 1578 1386 1395 1948 2320 2449 2912 3005 1678 1594 1119 1231 3426 3258 1265 1278 2935 2768 2593 2780 1658 1815 2017 1774 2417 2570 1913 2088 1312 1520 1605 1445 1859 1725 2665 2909 1632 1695 1399 1691 1016 1081 1314 1632 1420 1252 1794 1534 1493 1926 1391 1663 3990 3986 1569 1869 1897 1854 1018 1238 1895 1811 1213 1408 2352 1 1201 1534 1758 1476 2115 1957 2027 1919 1 1416 208.0506 *208.0566* 208.0566@1.2250459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2460 1 1 1 1 1 1 1 1 1 1 208.0566 *208.0884* 208.0884@3.209481 1 1 1 1 1 1 1 1 1 1 1 1 1660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3265 1 1920 1 1850 1 1 1 1248 1 1427 1 1 1 1 1 1 1 1 1 1 1475 1 1 1 208.0884 *208.0893* epinephryl borate opthalmic solution 1349 1 1 1 1 1420 1 1 2271 1 1 1794 1 2278 1659 1495 1 2512 1624 1164 1327 2391 1 1295 1828 1051 1 1157 1 1371 1 1 1940 1 1198 1260 1 1 1120 1436 1282 1 1 2582 1 1 1 1 1 1 1 1 2868 1 1 1 1318 1822 3503 3447 1 2032 1262 1 2328 1 2478 1 1265 1068 1 3469 1422 1 1835 1 1 1 1896 1595 1 1347 1 1 1 1385 1 1 1578 1 208.0893 *208.095* 208.095@3.3779562 5578 4816 5948 7811 6156 6816 6967 5465 6192 5499 5746 5073 10635 9162 3108 5880 25294 27172 6071 6619 4632 3826 5565 5459 5269 6564 8435 6191 5647 6270 5046 5636 2192 5081 5302 4697 5998 1 8781 6165 1 2780 9365 8447 5196 4856 5114 5142 2551 3780 4401 3688 5336 5418 3789 4647 5221 4400 4112 3417 5347 6769 5373 4221 1352 2923 3824 3436 4681 4877 2808 6089 4490 5531 2029 3981 3461 4494 58321 59902 6175 7257 3684 1981 5173 5127 4519 4757 4474 3946 208.095 *208.108* 208.108@4.2252016 1 1 1 1 1 1 1 1 1 1 1 1 1991 1927 1 1 1 1 1 2572 4096 3921 1967 2020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2138 1649 1648 1544 1 1 1 1 3983 3731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1699 1860 1 1 1 1 1 1 1 1 1 1 208.108 *208.1082* 208.1082@4.5870037 1 1 1 1 1 1 1 1 1 1 1 1 1 1147 1 1 1 1 1 1 3317 3048 1 1 1 1 1 1 1 1 3727 3028 1 1630 1 1 1 1 2088 1 2877 1937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.1082 *208.11* 208.11@7.1121926 1 1 2253 2035 1 1846 1 1 1633 1369 1 1 1591 2093 2064 1742 1 1 1 1 1202 1 1 1280 1 1 1 1 1454 1508 1 1 2335 1744 1 1 1 1 1 1 1 1 1220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.11 *208.111* 208.111@0.937031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2240 1 1 1 1 1 1 1 1 1 1 1 208.111 *208.1131* 208.1131@4.1325436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.1131 *208.1172* 208.1172@2.9981794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1302 1259 1 1 1 1 1 1 1 1 1 1 208.1172 *208.1181* 208.1181@3.9853272 1 1 1 1 1489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4273 4140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.1181 *208.1187* 208.1187@5.023964 1 1 1 1 2928 2076 1 1 1 1 1469 1 1 1298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1356 1615 1 1 1 1 1 1 1 1 1351 1367 1 1 1516 1542 1 1 1 1225 1 1 1341 1571 1 1 1585 1494 1 1 1152 1 1 1157 1349 1617 1790 1988 1946 1387 1 1 1355 1535 1219 1 1859 1559 1 1 1 1 208.1187 *208.1192* 208.1192@5.0075097 1 1 1 1 2381 3214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1510 1 1768 1306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1309 1 1 1757 1 1 1 1 1 1 1 1651 1815 2399 1386 1621 1721 1 1 1415 1398 1 1 1 1 1 1 1 1 208.1192 *208.1207* 208.1207@4.7553506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.1207 *208.1217* 208.1217@5.1573935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.1217 *208.1265* 208.1265@4.0811257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.1265 *208.1306* 208.1306@4.076286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2274 2705 1 1 1 1 1 1 1 1 1 1 208.1306 *208.1383* 208.1383@5.121601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1066 1 1 1 1 1 1 1 208.1383 *208.1464* 208.1464@7.3532977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21368 1 1 1 1 1 1 34954 37212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.1464 *208.1821* 208.1821@9.632733 1 1 1 1 1897 1786 3081 3232 1331 1148 1589 1 1311 1020 1 1044 1 1 1027 1 1848 1171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.1821 *208.1831* 208.1831@9.609127 1 1 1 1 3101 3152 4722 5082 1 1093 1 1 1 1 1 1 1 1 1 1 1 1987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.1831 *209.0483* C13 H7 N O2 6655 7036 7653 8076 6091 5810 6914 6358 5521 6635 8506 8052 6455 6262 7836 6810 8149 8635 5952 5702 6347 6296 6024 5656 6816 6878 6736 7519 7113 7535 8065 7101 6527 6932 6429 6880 5364 5568 6409 5956 8165 8040 6959 6325 6040 5581 6415 7221 7218 6529 6946 6346 7826 7900 6457 5806 6683 6576 6431 5594 6544 6272 7987 8089 9376 9056 5159 4747 7639 7449 6257 6065 8695 8445 7013 6854 6689 6428 5302 4709 5677 5907 7902 7715 5657 5562 10338 10481 6029 5104 209.0483 *209.0487* 209.0487@4.116275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 209.0487 *209.0542* 209.0542@1.0499939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1994 1 1 1 1 1 2266 1509 1 1 1 1 1 1 1 1820 3614 2851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 209.0542 *209.0543* 209.0543@1.3770065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1647 1 1 1 1 1 1 1 1 1 1 1 1 1 209.0543 *209.0546* 209.0546@1.1783285 1 1 1 1 1 1 1610 1538 1 1 1 1 1904 1 1535 1 1072 1 1 1 1 1 1 1 1 1 1066 1 1 1 1 1 1416 1262 1 1 1 1 1 1439 1400 1 1425 1444 1832 1 1079 1 1 1 1 1802 1 1744 1 1 1 1 1 1 1 1 1 1318 1 1 1 1 1 1 2394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 209.0546 *209.0666* 209.0666@3.0349894 1 1 1 1 1 1 1495 1603 1 1 1537 2012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1841 1580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 209.0666 *209.105* 209.105@4.668433 1 1 1 1 1 1 1 1 1 1 1 1 1173 1 1 1 1 1 1 1 1 1 1 1 1387 1 1 1 1 1 1 1 1 1 1 1 1054 1375 1 1 1 1 1 1 1 1 1 1 1 1 1021 1081 1 1019 1745 2447 1107 1397 1 1 1346 1447 1 1 1288 1261 3124 3517 1062 1232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1288 1322 1 1 1 1 209.105 *209.1621* 209.1621@4.693329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2200 209.1621 *209.8814* 209.8814@0.8379374 4904 4580 4583 4838 4652 5087 4241 4849 4748 5138 4494 4644 4877 4680 4580 5111 4870 4716 4464 5072 4949 4733 5156 4657 4914 4667 4669 4840 4910 4645 5208 4553 4929 4967 4962 5550 5042 5109 4751 4946 5078 4467 4725 5232 4878 4623 4764 4839 5210 5330 4622 4930 5353 4682 4820 4480 4738 5047 4684 4826 4991 4734 4636 5263 4894 5228 4567 4546 4539 5061 4709 4864 4914 4952 4393 4442 4611 4779 4489 4894 4415 5032 5008 5120 5008 4859 4777 4736 4839 5069 209.8814 *209.9866* 209.9866@0.7763805 1156 1591 1476 1560 1003 1012 1101 1148 1289 1188 1237 1376 1046 1030 1 1435 1262 1142 1373 1453 1020 1 1457 1339 1633 1582 1126 1 1265 1536 1248 1048 1385 1310 1305 1358 1520 1416 1794 1156 1195 1463 1218 1363 1284 1046 1079 1562 2181 1529 1298 1745 1439 1431 1292 1106 1592 1141 1315 1437 1171 1453 1180 1047 1106 1047 1272 1239 1503 1331 1461 1294 1313 1448 1669 1 2028 1166 1456 1178 1115 1166 1495 1690 1215 1540 1205 1273 1242 1 209.9866 *210.0121* C7 H11 Cl O3 S 1 1439 1 1759 1452 1102 2422 2439 2081 2029 1866 1855 1591 1698 1 1 1541 1500 2947 2587 1830 1873 2652 2705 1527 1280 2137 1746 1433 1617 1 1 1844 1396 1311 1404 3209 3787 1 1 1677 1890 2386 1604 1 1 2007 2657 1 1678 2894 1 2273 2532 1757 2035 1335 1346 2260 2461 2636 2607 1996 2261 1857 1686 1750 1 3580 2582 1 1 1 1322 1 1 2505 3238 1 1 2638 2859 2099 2778 1 4822 1596 1084 1 1 210.0121 *210.0618* 5-aminosalicyluric acid 10492 12130 12878 13126 13909 13522 13966 14830 14954 13332 12024 13402 18226 16593 11698 11999 12217 12677 16216 16949 19555 19934 16494 16551 13943 13608 15389 14915 16262 15420 15638 17968 18860 18253 14965 13711 16621 17291 18909 17673 16790 16697 18101 18180 12216 12284 15717 15634 12630 8845 15228 18770 18279 18295 9870 8885 10378 12555 15104 16562 14405 15218 11005 11673 11244 12593 9410 9234 11685 12643 17433 17441 17634 17029 18132 15395 15055 15889 9542 8671 11324 10694 17569 17567 17026 18436 15765 14743 16252 17074 210.0618 *210.0761* C7 H15 Cl N2 O3 1822 2444 1 1 1 1 4189 4444 4303 4801 1 1 1 1 5154 3969 3485 3766 7086 7792 1602 1396 1949 2546 1586 1596 5954 5895 1 1 6229 6474 3647 3712 1 1358 6352 7538 5343 5172 5865 5973 1 1 1953 1545 6954 6073 1856 1554 3772 3027 4324 3992 1 1 1 1 1 1 1 1 1 1 1 1 1 1888 3772 3320 1 1 1 1 1 1 2262 2468 1 1 1998 2010 1 1 1 1 1 1 1958 1883 210.0761 *210.0894* 210.0894@5.7644553 1 1 1 1 1 1 1 1 1181 1205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.0894 *210.0896* 3-(2,5-dimethoxyphenyl)propanoic acid 19907 21372 19487 20283 18457 20540 5302 20411 20496 20765 17656 18808 20435 20186 23092 22441 21005 20953 20301 19565 19844 20706 20825 20112 20773 21299 21029 19984 22262 20805 18456 18361 20241 20688 19632 20150 19574 19761 5847 19958 18813 20774 19556 19883 20704 21171 19428 18380 17125 19132 22742 22308 20164 18445 19630 18265 18969 19750 20512 20543 19385 20148 17125 18394 21688 22778 20101 18015 16979 18389 15527 15763 18201 16541 19738 19144 16838 17089 19784 19029 17382 18597 18964 17095 18961 18370 21045 19751 19408 17930 210.0896 *210.0946* 210.0946@5.763883 1 1 1 1 1 1 1123 1 1 1 1266 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1 1268 1 1043 1 1268 1 1 1 1 1 1091 1 1026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1353 1021 1 1 1 1 1 1 1 1 1 210.0946 *210.0963* 210.0963@3.2372024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1263 1 1 1 210.0963 *210.1005* 210.1005@3.2439764 1 1 1 1 1 1 1 1 1 1 1 1520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1673 1578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1999 2045 1 1 1 1 1 1 1 1 1 1 80107 67938 1 1 1 1 1 1 1 1 1 1 210.1005 *210.101* 210.101@3.275181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5045 1 1 1 1 1 1 1 1 1 1 210.101 *210.1088* 210.1088@0.96997476 1 1 1 1 1029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.1088 *210.1229* 210.1229@4.543152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.1229 *210.1231* 3-Hydroxycapric acid + 5.362054 2323 2348 2739 2094 1184 3064 1 1 1 1 2675 1997 6239 5593 1 1 2291 2414 6415 7322 2851 2806 2227 2192 2736 2804 4169 4217 5404 6122 2943 3101 1 1096 2127 2335 5342 4058 3145 3361 1697 2076 3680 3715 1727 2633 2232 2374 12297 11836 6233 6931 3467 3384 1697 1921 1 1285 13768 14001 2522 3020 1197 1 1098 1 2256 2431 19795 19209 2943 3210 2796 3374 12463 9746 1 1 5336 5789 3433 3421 9215 9037 2377 1625 3571 3288 2395 2223 HMDB02203 210.1231 *210.1236* 210.1236@5.5466404 3983 3591 1 1 1 2218 1 1 1 1 1 1 1117 1445 1 1 1 1 7659 7173 8006 6297 1499 1 1 1 1729 1917 1 1638 1 1 1 1 1 1 1 1 1 1989 1 1189 1681 1242 2699 2099 1 1 4861 4294 1511 1917 2727 2594 1 1 1 1 1 1 1 1 1 1 1 1 3162 3117 1 1 1 1334 1259 1507 1384 1 1 1 1 1 1 1 1 1 1 1996 1 1304 1467 1722 210.1236 *210.124* 3-Hydroxycapric acid 1 1 4759 2455 2450 5532 1479 1560 1 1 3501 3084 3020 1 3455 3352 1876 1549 3726 2677 21730 22490 1 1 1755 1 1578 1 1 1 80788 87343 3841 3369 1 1 2457 1607 15632 15257 2574 2796 1261 1 1 1 1854 1071 1687 1333 2117 1 2374 2866 1 1 1593 1418 1336 2225 1 1 1339 1360 1 1 1086 1035 1 1 1 1 1101 1 1 1 1 1 3682 3660 1952 1017 4373 2891 1494 1546 1557 1861 1 1 HMDB02203 210.124 *210.124* 3-Hydroxycapric acid + 4.517981 1 1 2883 4888 4456 2655 1463 2074 1 1 3586 4187 1 2386 2947 1532 1392 1783 2296 4135 7697 8403 1314 1 2128 1760 1271 1 1 1 6756 1 2686 2776 1 1 2664 1116 1472 1 5630 5441 1 1 1 1 1 2936 1 2817 1163 1346 2808 2500 1 1 1451 1764 1945 1212 1 1 1198 1 1 1 1587 1 1 1 1057 1 1389 1795 1 1 1 1 1 1 1308 1515 3195 2783 1 1 2282 1481 1 1 HMDB02203 210.124 *210.1241* 210.1241@4.170652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3315 1 1 1 1 1522 1257 1 1 1 1 1 1 1 1 2754 3067 1 1 1 1 1 3291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1612 1340 1 1 1 1 1 1 210.1241 *210.1242* 210.1242@3.7488117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1634 1433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.1242 *210.1244* 210.1244@5.5849533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.1244 *210.1304* 210.1304@4.6708107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4770 1 1 1 1 1 1 1 1 1 1 1 1 2335 1 1 1 1 1 1435 1 1 1 1 1 1 1368 1 1 1 1 1 1407 1 1 1 1 1655 1 1144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1282 1 1 1 1 210.1304 *210.131* 210.131@5.1520805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.131 *210.1344* C7 H14 N8 1209 1 1700 1 1 2455 1 1874 1 2198 2064 1967 1 1534 1 1 1462 2252 1648 1 1 1155 1809 1 1785 1444 1442 1661 2277 1 1 1008 1796 1611 2063 1829 1810 1 1 1289 1598 1 1600 2010 1786 2030 1690 1802 1403 1533 1 1721 1590 1470 1439 1633 1 2239 1650 1795 1 2423 1 1 1724 1283 1 1 1102 1 1 1 1632 2035 1969 1905 1 1761 1780 2263 1805 1828 1958 1 1 1 1459 1793 1887 1639 210.1344 *210.1349* 7,8-Diaminononanoate 9331 8719 6964 7422 11046 11423 13862 13805 9894 9378 12878 12365 8878 9488 8531 8348 11874 11065 10793 10996 11533 11558 8639 8689 6185 5867 9412 9359 9221 8950 12873 12732 10416 10377 9867 10030 9607 9166 8874 8186 13310 13098 8627 9220 8360 9021 11953 12570 10994 10920 11003 10486 10780 10906 9691 9925 7007 7442 11095 10874 12187 13214 9108 8509 9537 9250 9778 9989 9302 9653 9613 9767 9362 9508 7878 8236 9178 9157 9574 8728 10139 9536 9030 9514 10882 10626 12228 12164 10391 11034 C01037 210.1349 *210.1357* 210.1357@4.161663 1 1521 1 1771 1791 1 1710 1 1646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2091 1 1 1 1 1 1 1 1769 1493 1 1 1 1 1 1 1 1 1 1 1 1543 1 1 1 1 1 1 1 1 1 2184 1 1 1645 1 1 1967 1464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1810 2049 1 1 1 1 210.1357 *210.1358* C11 H18 N2 O2 1505 2098 1 1 11172 13065 4582 4498 2392 1344 5345 3441 4143 3129 1 1 1 1 4371 1 1 1 1891 1718 1 1 1568 1 2649 2230 1 1 1 5306 3547 4640 5092 4568 4664 4689 2858 4530 1878 2364 1 1 7958 8022 2998 4213 2343 1563 8051 5640 1993 2811 3073 2937 2220 2853 3832 3730 1 1 7590 7605 5000 4881 9619 9872 4712 1 4495 4678 8352 6811 3625 4127 4173 5220 7936 7851 4316 5221 11739 11495 3794 4054 2367 1 210.1358 *210.1362* C11 H18 N2 O2 + 5.146793 3575 4052 1 1 37832 35151 7296 7270 5733 6467 6215 6292 16043 15132 1 1289 2075 2121 4334 4347 2656 2550 9016 6671 1017 1 2910 4126 6472 7762 1 1 6893 5151 7123 5826 7506 10390 10468 10820 8250 10270 5649 5503 2465 2300 5122 4534 1 2964 8141 8634 11088 1 9316 10554 4061 4523 7368 8089 4686 7185 1260 1265 13069 12809 2037 2648 3871 4848 11032 10009 18717 19597 34069 33765 17895 18523 8452 7777 13670 14996 6078 5442 11130 1 6709 7177 5496 6054 210.1362 *210.1364* 210.1364@5.004948 1 1 1 1 1709 1 1 1 1 21956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.1364 *210.1368* C11 H18 N2 O2 + 4.970427 12572 12602 7921 7864 74042 78287 28407 28588 22505 3500 35101 34144 42302 43042 3977 5310 10294 10852 18696 18807 6790 5896 21897 22261 2993 3193 13805 12078 20996 23389 1 1 20300 17986 28836 28340 23719 23068 35652 35552 22477 20807 12794 14385 7734 7207 23162 22927 17205 16389 22527 20571 38080 37561 20923 23154 23747 23579 19142 18401 28113 25796 4388 5449 50263 50890 25118 24811 30563 37114 26476 27361 44442 46063 66104 66445 36289 35777 27178 26119 30152 30431 18306 18930 39325 41380 19536 18633 16988 16446 210.1368 *210.1602* 210.1602@8.234685 2586 1 1 3532 1 1095 1 1 1 2042 3942 1 3524 1777 1 1 1 1 1 1492 1 1 1 1604 1 1 1 1 1 1 1 1 1 1 4099 1291 4917 1 1 1869 2303 5588 2436 1 1 1 2013 1 1 1 1 1 1 1 2665 1570 1 1 1 1 1 1 1 1 2277 1 1 1 1 1 1 1 2034 1 1 1 1 1 2520 1 2720 2360 1 4338 1 2267 1 1 1 1 210.1602 *210.1604* 210.1604@6.3916764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1018 1 1 1 1 1 1 1 1 1 1 1 210.1604 *210.1616* 3E,5E-tridecadienoic acid 14749 24147 56159 4411 4771 1958 43575 3412 40347 15026 7477 71809 1704 2967 3645 24685 4865 24768 36308 2628 26720 9852 1 2720 3774 2567 66341 67818 28030 1760 26965 1968 6542 3278 3699 3051 3757 60597 3712 4801 6280 1787 44496 8384 171090 173732 11586 1145 1 20101 1 3743 3091 4797 24500 5062 5232 2576 1719 1 1 17904 1470 1 2302 2530 3848 2145 1 1218 1915 3208 2560 1321 3860 3488 13622 1 7309 1 1485 1389 32849 1794 1 1909 4588 2763 1 21816 210.1616 *210.1616* 210.1616@8.194996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.1616 *210.1678* 210.1678@8.085209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1754 2406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.1678 *210.2464* 210.2464@4.27286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.2464 *211.0503* 211.0503@3.0431988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1225 1089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1147 1 1 1 1 1 1 1 1204 1 1 1 1 1 1 1 1 1 1 211.0503 *211.0673* 211.0673@3.6925929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3871 3737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1209 1 1 1 1 1 211.0673 *211.0674* 211.0674@1.2577721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1867 1 1238 1 1440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1648 211.0674 *211.0759* 211.0759@1.2393647 1 1 1 2104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1621 1 1 1 1 1 1 1 1 2319 1 1 1 1 1 1 1 1 1 1 2290 1 1756 1 1 1 1 1827 1 1 1 2926 1 2937 1 211.0759 *211.0772* 211.0772@1.2262094 1003 1 1 1 2677 1 1508 1 1 2418 1 1 1 2857 1316 2053 1 1 1 1 3214 2438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2344 1 1 1909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1573 1 1 1 1 1708 211.0772 *211.0845* 211.0845@1.2240162 1 1 1 1 1 1 1 1 1 1 1 1 1774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2948 3382 1 4392 2456 1 3199 1 1 1 2439 2426 2117 2008 1 1398 1 1 4965 3961 1166 1 1 1 1 1 1 2295 3671 1 1 1 1 1 4006 3992 1 1 1 1 1 1 3144 1700 1 1323 1 1 2248 1 1 1712 1 1 1 1 211.0845 *211.092* 211.092@3.6161146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1345 1 211.092 *211.0923* 211.0923@1.2217666 1 1 1 1 1 1 1 1 1 1 3354 4458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4913 1 1 3329 1 1 4167 3875 1 1 1 1 1 1 1 1072 1 1 5301 1 4664 4467 1 1 1 1 1 1 1 1 211.0923 *211.0958* Zalcitabine 5829 5929 23281 23933 2040 30152 37173 37216 21283 22109 149166 143523 34922 35037 31897 33503 1 1 134540 141355 3491 54609 34317 2337 2749 2835 101032 96040 12214 12450 18753 17197 10179 10759 52445 2714 78383 74941 45086 44542 59151 59298 32183 2255 70994 75646 53670 58377 30111 28997 2638 2682 90084 91440 34677 37035 4487 4572 7251 6966 92111 95494 117738 122318 4512 3912 70475 68794 110449 113267 10060 9364 17769 18174 21592 22949 83357 82582 221715 226519 141580 142661 21321 21892 47731 45891 41408 44404 38606 43194 C07207 211.0958 *211.0965* Zalcitabine + 1.1630843 1 1 2756 3038 30416 3661 3937 3304 2001 2008 1 1 1 1 2636 2028 1 1 13951 14959 53614 4329 1 32365 1 1 11707 13902 1812 1802 4524 3415 5306 5110 3367 52604 4242 4502 6884 6956 3350 3081 1 33915 2438 1 5900 1 3236 2669 22013 23390 1 4697 1 1894 1 1121 1924 2038 9138 10595 6318 1 2222 1919 8249 7216 4732 1 1854 1843 1927 1 2946 2483 1 2621 11398 1 4866 1 2067 2484 4448 3412 8588 9037 3225 2677 C07207 211.0965 *211.0967* 211.0967@3.5902302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10491 211.0967 *211.0977* 211.0977@2.9482462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 211.0977 *211.1219* 211.1219@4.2352266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5719 1 1 1 1 1 211.1219 *211.1248* 211.1248@4.2423096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1849 2511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 211.1248 *211.1402* 211.1402@6.006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 211.1402 *211.1402* 211.1402@5.0535803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1095 1 1 1 1 1 1 1 1 1 1 1 1328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 211.1402 *211.1416* 211.1416@4.4945865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1587 1 1 1 1 1 1 1 1 1 1 1 1160 1 1 1 1 1 1 1 1 2346 1 1 1 1 1 1348 1 1 1 1 1522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 211.1416 *211.1417* 211.1417@3.4266057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39797 1 1 1 1 1 1 1 78637 1 1 1 1 1 1 1 1 1 1 26347 1 1 1 1 1 10188 1 9281 1 1 1 1 1 40192 1 1 1 1 1 26661 1 1 1 1 1 1 1 1 1 1 1 1 1 31582 1 1 1 1 1 1 1 211.1417 *211.1419* 211.1419@3.3702493 1 1 1 37218 1 1 1 1 19367 1 1 1 31890 34602 1 25374 1 1 1 1 1 32784 1 33461 1 1 29570 1 1 44428 1 31204 1 30860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9937 1 1 1 54894 1 1 1 8180 1 1 1 1 1 1 23348 1 8437 1 1 1 1 22123 18195 1 16967 1 1 1 1 1 19302 18974 1 1 24398 1 9120 9214 1 1 16126 211.1419 *211.142* 211.142@3.4834154 1 1 1 32267 54653 1 1 1 1 1841 1 1 41227 1 1 1 63513 1 1 1 1 39429 1 1 65961 1 1 1 1 1332 1302 1 43466 44104 1 1 1 1 1 1 1 1 1 1300 1 1 1 1 6416 1 35146 1 1 1 1 1 20846 1 1 1 1 1 1 31243 1 37092 1 1 10238 1 13176 1 38940 1 34646 1 1 1 1 1 1 1 1 1 1429 33969 1 1 1 1 211.142 *211.1421* C9 H17 N5 O 1 17728 1 1 11399 11121 1 1 1 13578 1 15869 1 1 14832 1 12106 12074 1 13451 21423 1 1 1 16543 18703 1 19056 15053 1 1 1 16325 1 1 1 20797 1 21198 1 1 1 1 13195 23034 1 1 1 12271 1 15399 1 1 1 11290 9183 3594 1 10026 14937 14525 1 16478 1 15886 7331 14366 11312 16254 12059 13657 1 12440 1 5462 9595 1 9538 9461 1 1 17195 20196 1 17484 9312 9778 11006 1 1 211.1421 *211.1489* 211.1489@5.921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 211.1489 *211.1519* 211.1519@6.7478995 2898 2164 4678 3079 1709 2826 2304 2321 2408 1667 6952 7622 2512 2990 2181 2844 1 2251 4314 3056 1 1 2261 2518 3841 2861 8691 8329 1996 2373 1 1 1 2646 2905 2403 7433 7379 1506 2860 4240 3992 2174 2217 13692 14094 1 1 1 1630 1640 1444 1 1940 3182 3287 1146 1277 2260 1 1 1915 2396 2036 3383 2052 2041 1827 2039 1904 2594 1714 1 1580 1 1 1557 1802 2533 3019 3017 3941 2765 2477 1 1 2639 2128 1693 1919 211.1519 *211.2189* 211.2189@1.0901337 1 1 1 1 1 1 1 1 1 1 1 1891 1 1 1 1 1 1 1656 1711 1 1 1 1 1 1 1 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1302 1 1 1 1 1 1 1 1 1 3223 1390 1 1 1 1 1 1 1 1 1 211.2189 *211.9497* C9 H5 Cl S2 2669 2971 3896 3760 2951 3831 2877 3301 3519 3368 3402 3431 2257 1991 2963 2849 2143 1945 3573 2886 2869 3034 3350 3640 3275 2900 2982 3073 2777 2736 5336 6168 4821 4996 4217 4649 5215 4982 3884 3527 3596 3695 4055 3677 3692 4634 2758 2742 3845 3341 3495 3124 3443 3049 2600 2680 3228 3414 3709 3750 3523 3724 3148 3253 5255 4873 3927 3924 4872 6089 3557 3936 3779 3945 4557 4106 4401 4532 3535 3363 2824 2931 2981 3105 6292 6657 3825 3964 2125 2043 211.9497 *212.0334* 212.0334@1.3640106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.0334 *212.0679* Vanillactic acid 2948 11101 9696 9904 5746 6017 8996 8638 10844 10751 8733 10284 9565 7992 10226 9459 11488 11858 11557 2825 2850 2558 7987 8529 9331 8842 6224 5719 7297 8252 11302 11490 10583 10226 9987 10282 7819 9079 9107 7395 9292 9566 10409 8833 7459 7358 8224 2802 7658 7041 2386 2316 2922 2829 11862 9815 12020 12085 8823 8810 2560 2693 2883 3343 2231 9688 10011 9606 12279 11095 7100 6855 2271 7448 6474 6373 7982 7390 7558 7828 10072 2954 3413 10262 2506 8760 8700 8254 2683 2964 HMDB00913 212.0679 *212.0815* 212.0815@1.2210457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1309 1 1 1 1 1 1 1 1 1 1 212.0815 *212.0924* 212.0924@3.4957416 1 1 1079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1494 1 1 1 1 1 212.0924 *212.0931* 212.0931@3.2541378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3276 1 1 1 1 1 212.0931 *212.0941* 212.0941@1.1660137 1 1 1 1 1 1 1 1 1 1 1536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1077 1 1 1 1 1 1 1 1 1 1 212.0941 *212.1076* 212.1076@6.952768 1 1 1 1 1 1 1 1 1 1 1 1 1 2438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.1076 *212.1165* 212.1165@0.99597454 1 1 1 1 2805 3212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.1165 *212.1177* 212.1177@3.8148296 1 1 1 1 1769 1239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.1177 *212.1424* 212.1424@3.3842106 1 1 1 1 1 1 3574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2060 1 1 1 1 1 1 2236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3050 1 1 1523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.1424 *212.1426* 12-oxo-10Z-dodecenoic acid 4674 4098 5836 4373 4050 4060 5184 5349 6563 5829 3070 3003 6668 4326 4987 8693 5101 5044 5294 4876 4063 4427 7289 6084 8073 5956 5944 3281 3644 2816 11238 10607 4006 4035 7205 6744 3209 3145 4550 3088 1984 1757 2529 2722 2597 2388 7518 7270 3958 3642 14029 14382 15111 15503 4026 6022 5650 9233 1721 1792 2323 2316 1 1 1 1337 1544 1821 2671 2753 1 1118 1 1 1971 1 1091 1218 2538 2154 2408 2853 1545 1698 1 1 1927 1 2245 2499 212.1426 *212.1449* 212.1449@3.4049299 1 1 3842 4346 8215 1865 2379 1 1 7580 1 1 1 3330 1 8173 1 1 1 1 1898 3013 1 8395 1 1 1 1 1 1 1 1 1 8773 1 1 2862 3459 1490 1 2327 3726 1 1 2769 1 1 5727 1 1 5842 1 1 1 1 1935 1 1934 1 1 1 1 1 1 1 2417 1201 1 1 1 3888 1 1 1 1 1618 1097 1 1 1 1 1 1559 1 1 1 1 1318 1 1 212.1449 *212.1454* 212.1454@6.745192 1 1 1 1 1 1228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.1454 *212.1501* 212.1501@5.6398597 1 1 1 1 1 2984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1438 1715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2142 1 1 1 1 1 1201 1 1 1 212.1501 *212.1503* 212.1503@6.230851 1 1 3521 3838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2532 2801 1 1 1 1 1 1 1 1 1 1 1601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.1503 *212.1509* 212.1509@5.9300547 1 1 1 1 2303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2649 1 1 1 1 1 1 1 1 1 1 4012 4109 1 1 1 1 1 1600 1 1 1 1 1 1 1 1 1 1 1 1 3201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3012 2414 1 1 1 1 1 2019 1 1 1 1 1 1 1 1 212.1509 *212.1511* 212.1511@5.2991133 1 1 1 1 1816 2183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1629 1867 1 1 1 1 1366 1200 1 1 1 1 1 1 1 1 212.1511 *212.9893* 212.9893@0.7750072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1622 1 1 1 1 212.9893 *212.9924* C8 H7 N O2 S2 1 1 1609 1605 1340 1 1560 1 1492 1445 1252 1 1 1 1 1 1 1 1 1542 1 1 1 1572 1 1374 1 1 1 1 1806 1 1 1 1829 1 1944 1881 1383 1644 1 1 1 1 1 1900 1 1 1 1807 1375 1 1 1 1 1 1 1 1 1 1805 1732 1 1438 1665 1 1 1 1456 1575 1370 1342 1548 1499 1 1508 1 1 1551 1560 1 1556 1 1 1 1 1 1549 1 1 212.9924 *213.0511* 213.0511@0.8446804 1 1 1 1 1714 1865 2355 2172 1 1 3929 3561 1 1 1 1 1036 1 1905 1827 3383 3272 1 1 1 1 5016 4498 1 1 1400 1583 1 1 2214 1803 1157 1260 1 1 1072 1095 1389 1692 1 1 1597 1309 1 1319 1 1 2238 2226 3025 2686 1 1 1 1 1825 1627 2544 2965 1 1 3606 3025 3089 3173 1 1 1 1 1 1 1 1 1 1128 1 1 1 1 1 1176 2111 1726 1037 1 213.0511 *213.0669* 213.0669@0.937031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23514 1 1 1 1 1 1 1 1 1 1 1 213.0669 *213.0824* 213.0824@4.0660176 1 1 69940 70596 1 1 1 1 11220 11872 1 1 27289 27034 1 1 15272 14321 1 1 26539 28290 1 1 1 1661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19038 21056 1 1 1 1 6115 5135 1 1 1 1 67598 65931 1 1 78541 76698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 119402 115529 1 1 1 1 1 1 1 33494 213.0824 *213.0831* C10 H15 N O2 S 2863 3218 3625 3530 3152 3122 2884 2241 2928 3410 2950 2898 3293 2715 4372 3560 3747 2797 3682 2931 3024 2565 2983 2880 2847 3302 3806 3389 2911 2416 2644 2465 4014 2402 3894 2510 3326 3392 3408 2581 3408 3350 3184 3266 3632 3269 3313 3476 3200 2769 2947 2839 2889 2479 3038 2692 2292 2760 3326 2899 2163 2531 1812 2594 2794 2846 2677 3005 1917 2582 1894 2090 2823 2890 2985 2960 2605 2314 3025 3073 1 1993 2722 2240 2666 2889 2120 2502 2106 3081 213.0831 *213.084* 213.084@4.2784348 1 1 1 1 1 1 1 1 1 1 1 1 1 1137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2631 2697 1 1 1 1 1 1 1 1 213.084 *213.1102* 213.1102@3.0666857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1368 1003 1 1 1 1 1 1 1 1 1 1 213.1102 *213.1115* 213.1115@0.9195248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1907 1842 1 1 1 1 1 1 213.1115 *213.1714* 213.1714@7.47468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213.1714 *213.1724* C12 H23 N O2 1423 2409 7949 8365 1 1 1192 1621 3193 3508 33480 6538 1 1 1 1 1942 1 1 1 1 1 1 1 1 4063 13296 17499 1 1 1 1 2567 2070 6609 1753 10778 11145 1536 1832 9000 6067 2240 4969 44412 5108 3349 1294 1 1362 1 2410 2035 4174 8720 1280 1 2138 1 3865 1 2329 1 1 3214 1 1 4125 3216 1 1 1557 4301 2341 1 1 1 1 5225 6697 6058 6492 7265 7787 1 1 1 3635 1 1 213.1724 *213.173* 213.173@7.553188 1 1 1 1 1 1 1 1 1 1 1 28377 1 1 1 1 1 1 1 1 1 1 1 1 1 2968 23926 19795 1 1 1 1 1 1455 1 2014 1 1 1 1 1 1 1 1 1 1 1 2083 1 1 1 1 1 1 1 7696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5968 2862 1 1 1 1 1 1 1 5040 1 1 1 1 1 1 1 1617 1 1 213.173 *213.2457* 213.2457@9.575858 1 1 2375 1 1468 1 1 1 1 1 1871 1552 1 1 1 1 1 1 1 1 1503 1 1 1 1 1 1 1 1486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213.2457 *213.9645* 213.9645@0.777018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213.9645 *213.9709* 213.9709@0.7760243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2104 1967 1 1 1 1 213.9709 *213.9743* 213.9743@0.778012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1798 1 1 1 1 1 1 1 1 1 1 1591 1 1 1 213.9743 *213.9785* 213.9785@0.7768221 1 1 1751 1677 1 1 1 1 1665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1955 1 1853 2063 1959 2037 1615 1555 1 1486 1629 1 1933 1813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1789 1 1 1 1740 1 1 1 1 1502 1884 1 1538 1718 1788 1 1 1 1 1 1 1 1 1708 1 1 213.9785 *213.9812* C12 H3 Cl O2 1799 2340 1 1 1474 1630 1649 1605 1 1649 1478 1952 1453 1482 1793 1632 1696 1493 1542 1442 2057 1416 2055 4046 1566 1588 1723 1651 1662 1686 1 1 1 1 1 1 1 1 1 1 1653 1 1 1956 1 1 1702 1458 1904 2070 1625 1882 1761 1641 2591 1680 1934 1765 1899 1921 1582 1630 1677 1784 1 1 1761 1861 1 1 1841 2049 1884 1 1 1 1 1 1 1505 1760 1592 2051 2109 1 1 1 1 1513 1375 213.9812 *214.0013* 214.0013@1.1270063 1 1 1 1 1 1 1 1257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.0013 *214.0064* 214.0064@1.1931705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1400 1 1 1 1 1 1388 1 1 1 1934 1408 1 1411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.0064 *214.0088* 214.0088@1.3977671 1 1 1352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2280 1 1 1 1 1 1315 1 1 1 1 1 1 1 214.0088 *214.01* 214.01@1.0544125 1 1 1 1 1 1 1 1 1724 1 1 1 1 1 1 1 1 1281 1 2266 1 1 1 1 1 1 1989 1 1 1 1 1 2612 2731 1 1 1 1 1721 1 2958 1 4623 4795 1680 2357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.01 *214.0512* 214.0512@0.92651594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1467 1 1 1 1 1 1 1 1071 1 1 1 1 1 1 1 1 1 1 1 1 1 214.0512 *214.0564* Ser Ser 1260 1172 1338 1513 2241 2080 1138 1270 1 1038 1618 1426 1765 1433 1591 1539 1 1 1247 1 1323 1481 1795 1580 1 1 1118 1097 1539 1440 1 1227 1 1 1415 1489 1110 1065 1145 1379 1219 1095 1 1 1448 1272 1379 1226 1 1 1 1 1 1368 1 1 1 1 1 1 1314 1 1 1 1320 1 1 1 1 1 1 1 1 1 1409 1395 1 1515 1 1 1 1 1 1 1651 1301 1 1 1127 1116 214.0564 *214.0624* 214.0624@1.5310619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4860 1 1 1 1 1 1 1 1 1 1 214.0624 *214.0626* 214.0626@1.8760908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2495 1 1 1 1 1 1 1 1 1 1 1 214.0626 *214.0634* 214.0634@1.9270948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2613 1 1 1 1 1 1 1 1 1 1 1 214.0634 *214.0635* 214.0635@1.1810436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6975 8026 1 1 1 1 1 1 1 1 1 1 214.0635 *214.0647* 214.0647@3.2531796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1498 1 1 1 1 1 1 1 1 1 1 214.0647 *214.0724* 214.0724@2.2303474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4445 9408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.0724 *214.0731* 214.0731@2.7069228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.0731 *214.0783* 214.0783@3.962232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1004 1 1 1 1 1 1 1 1 1 1 214.0783 *214.1003* 214.1003@1.2464576 1 1 1 1 4868 5056 1 1 1 1 6361 1 1 1 1 1 1 1 1 1 6001 5707 1 1 1 1 6035 5888 1 1 1 1 1 1 1 5124 1 1 1 1 1 1 4370 1 1 1 1 1 1 1 1 1 7338 7776 1 5275 1 1 1 1 1 4425 1 6007 1 1 6323 6257 8799 8786 1 1 1 1 1 1 1 10203 7293 1 1 1 1 1 1 1 1 1 1 1 214.1003 *214.1065* 214.1065@1.2485192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6419 1 1 1 6021 1 1 1 1 214.1065 *214.1114* 214.1114@1.2500112 1 1 1 1 1 1 1 4171 4444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5493 1 1 1 1 1 1 1 1 1 5312 5272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5933 1 1 1 7052 1 4247 1 1 1 214.1114 *214.1139* 214.1139@4.627817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1426 1 1 1 1 1 1 1 1 1 1 1 214.1139 *214.1175* 214.1175@4.613582 1824 1064 4864 1 1 1929 1 5125 3440 4082 3710 3129 1 1 1 1 3488 1304 1 1842 3564 1 1 3040 1 1 1 3235 1 1 1 1 1 1 1 1180 1 1 3771 1 1 1289 3195 4295 1414 1 1 1 1 1 1 2597 1 1 1 1242 1 1 1 3901 1 1 1 1 1 1 2341 3278 1284 1 1 1 2189 1 1 1 1 1 3694 1 1 2359 1 1 1 1 1 1 1 2379 214.1175 *214.1186* 214.1186@1.2525239 1 1 4395 5089 1 1 3762 1 1 4147 1 1 3580 3754 3425 1 1 1 1 1 1 1 4844 2879 1 1 1 1 1 1 1 5557 1 1 1 1 7020 7211 5013 3955 5422 5596 1 5572 1 1 5675 5309 4637 3405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3304 1 1 1 1 1 1 2105 1 1 1 1 1 1 1 3294 1 5663 214.1186 *214.122* 214.122@4.5871367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1951 1 1 1 1 1 1 1 1 1 1 1 1 1 1042 1 2377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.122 *214.1236* 214.1236@1.2548448 1 4322 1 1 1 1 1 1 1 1 1 1 1 1 1 3373 1 1 1944 1 1 1 1 1 1 1 1 1 2875 3140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.1236 *214.1255* 214.1255@1.2610118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3588 3407 1 1 1 1 1 2476 1 2580 1 1 1 1 2159 1 4067 4245 1 1 1 1 1 2125 1 1 1 1 1 1 1 1 1 1 1 2322 1 1 1 1 3539 3307 6668 5615 1 1070 1 1 4519 2845 1 1 1 1 4693 5499 1 1 4503 4477 1 1 1 1 1 1 1 1 1 1358 1 1 4584 1 214.1255 *214.1307* 214.1307@1.608007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4330 1 1 1 1 1 1 1 1 1 1 1081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.1307 *214.1349* 214.1349@5.9649696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2990 2956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.1349 *214.1358* 214.1358@6.1074705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4619 6395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.1358 *214.139* 214.139@8.723051 1 1 1 1 1 1 1465 1441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1283 1014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1510 1 1 1 2433 2921 1 1 1 1 1 1 1 1 1 1332 1 1 1270 1102 1 1 1 1 1 1 1 1 1 1 1076 1 1790 1565 1810 1861 1 1 1 1 1 1 1 1 214.139 *214.1393* 214.1393@8.512754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.1393 *214.1393* 214.1393@8.889826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.1393 *214.1394* 214.1394@8.531324 1 1 1 1 1 1 1608 1500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1764 2084 1 1 1 1 1 1 1 1 1 1 1 1 1888 1911 1 1 1 1 1 1 1 1 1 1 1 1 1029 1 1 1 1 1 1 1 1 1 1 1 214.1394 *214.1678* 214.1678@4.5365634 1 1 1 1 1 1084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1285 1344 1 1 1 1 2965 3792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.1678 *214.175* 214.175@7.56721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.175 *214.1751* 214.1751@7.4932046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.1751 *214.1849* 214.1849@0.9360329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1452 1 1 1 1 1 1 1 1 1 1 214.1849 *214.9708* 214.9708@4.49937 1 1 1847 1 1 1 1 1 1 1 2098 1850 1 1290 1 1 1 1 1 1 1040 1 1 1 1 1 1097 1 1753 1806 1 1 1 1 1 1 1395 1367 1 1 1 1 3993 4632 1 1 1366 1675 1 1 1 1 1 1 1 1 1308 1293 1 1 1 1 1381 1046 1 1 1 1 1 1 3082 2581 1 1 1 1 1 1 1217 1288 1 1 1 1 1507 1120 1 1 1 1 214.9708 *214.9842* 214.9842@0.7757589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1020 1 1047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1000 1 1003 1 1 1 1 1081 1 1 1035 1 1065 1 1027 1153 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 1 1 1128 1 1120 1 1 1 1 214.9842 *214.9891* 214.9891@0.7742133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1519 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1001 1089 1 1 1 1 1 1 1 1 1 1 1 1 1 1074 1 1 1 1 1 1 1 214.9891 *215.0075* C8 H9 N O2 S2 3019 3327 3256 3410 4355 4000 4526 4411 3723 2988 3719 4014 3229 3728 3362 3017 4384 3971 3425 3287 3130 3200 2497 2836 3720 4077 3994 3950 3637 3523 2620 3027 3693 2907 3218 3221 3349 3535 3239 3181 4063 4300 3518 3492 3659 3713 3123 3119 2711 2816 3438 3257 3386 3118 2796 2806 2849 2985 2911 3046 2923 3218 2936 2884 4213 3818 2163 2214 3514 3377 3131 2873 4128 4305 3118 2982 3141 3304 2276 2455 2503 2391 2168 2049 2753 2987 4541 4826 3122 2993 215.0075 *215.0636* 215.0636@3.2630522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2874 1 1 1 1 1 1 1 1 3273 1 5799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.0636 *215.0697* 215.0697@3.276156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1929 1 1 1 1 1 1 1 1 1 1 1 215.0697 *215.0753* 215.0753@2.1960042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.0753 *215.0795* 215.0795@1.125362 1 1 1 1 1 1 20529 20385 1 1 1 1 1 1 1 1 1 13278 15897 15693 1 1 1 1 1 1 1 1 1 1 1 1 11071 1 1 1 1 1 1 1 1 1 1 13123 1 10778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.0795 *215.0842* 215.0842@1.1239823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.0842 *215.0908* C3 H14 Cl N7 O2 5516 5440 9170 8813 6589 7635 3253 2445 4798 5280 5686 6778 6311 6186 4647 4959 3269 3272 4631 5943 8081 8537 1 1 1 1422 1 1 1 1 1 1 4404 3617 5601 5740 1 1 10885 10961 5479 5295 3576 3453 1 1 4397 1 3202 2914 1 2533 1 1 1 1 1 1 1 1 1 1 2626 2173 1 1 1 3463 1 1 2572 2154 1 1 12577 14383 1 1 93830 91675 1 1 2035 2080 1 1 1900 1998 1 1 215.0908 *215.0949* 215.0949@1.1634178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1438 1 1 1 1 1 4278 4264 1 1 1 1 1 1 1 1 1 1 215.0949 *215.0972* 215.0972@1.2341759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2272 1933 1 1 4563 4465 1591 1 2183 1491 1 1 1 1 1 2168 1 1 1 1 1 1 2129 2065 1 1 1 1 1977 1 1 1 1 1 1 1 1 1 2073 2031 1 1 1 1 3118 1 1 1 1 1 1 1666 1 1 1 1 1 1 2590 2157 1 1 2418 1 1 1 1761 1913 215.0972 *215.1056* 215.1056@1.2370008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.1056 *215.1215* 215.1215@4.594321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4433 215.1215 *215.1467* 215.1467@6.110997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.1467 *215.1512* C11 H21 N O3 1347 2216 1746 1888 1 1989 1 1552 1489 1802 2303 2347 1888 2107 1844 1 1 1 2216 2699 1 1 1 1684 1786 1768 3259 2752 1712 1638 1 1 4719 4130 1 1 3114 1 1342 1598 1 1015 1104 1097 4070 3957 1 1 1 1 1 1075 1 1399 1537 1284 1842 1517 1 1728 1715 1 2140 1112 1655 1554 2978 2856 1718 1119 2212 2220 1 1169 1 1 1616 1 1990 1 1555 1683 1209 2031 1341 1 1 1 1516 1 215.1512 *215.1883* 12-amino-dodecanoic acid 4230 4134 5499 6315 3002 3345 3703 4478 3268 3950 18922 19501 3914 3994 3122 2789 3830 3776 3371 3318 2879 2505 5346 5178 5730 5694 15866 16263 4302 4033 3993 3177 4657 3879 5361 5428 16507 15992 3147 3344 6216 5763 3821 3775 28665 28737 2601 3325 2218 2007 3688 3944 3458 3677 10126 9665 3261 3198 5191 5136 3808 3756 3731 4089 3606 4104 1641 1714 3003 1230 4068 3846 4043 4333 2776 3006 3485 2863 6065 5823 6842 6838 7618 8297 2611 2732 4658 5119 2943 3170 215.1883 *215.9154* 215.9154@0.87901825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.9154 *215.916* C3 H2 Cl2 N2 O3 S 180264 181986 173630 152482 177254 174503 179004 179594 179006 177281 178001 175866 179961 178335 183901 180454 181341 179383 175011 176126 174151 173256 175209 176223 173089 174121 173270 171972 176648 176312 172014 171109 178872 175784 176356 171679 175683 113286 176222 168606 173728 174658 176342 170531 174857 174109 181150 180986 178594 170794 177832 179490 180056 177324 179758 177200 176170 183765 176678 173654 175774 177107 178348 181275 37942 168590 170415 172027 168113 172031 167180 166154 174663 173524 162074 169893 171253 169277 171274 170619 172138 171941 180383 174359 170848 167778 164322 168938 174705 172220 215.916 *215.916* 215.916@0.80775243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3037 1 1 1 1 1 1 1 1 1 1 1 1 1 2848 1 3538 1 66714 1 1 1 1 1 4873 1 1 1 1 1 1 2232 1 1 1 1 1 1 1 1 1 1 1 1 1 90395 1 1 1 1 1 1 1 1 1 3142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.916 *216.0404* 216.0404@0.83166736 1 1172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1682 1 1 1 1 1 1 1 1 1437 1 1874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1030 2088 1 1603 1 1 1 1 1 1 1 1 1 1 1658 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0404 *216.0629* 216.0629@1.1977541 1 1 1 1 5632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8975 9007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3854 1 1 216.0629 *216.0659* 216.0659@4.212896 1 1 1 1 1 1 1 1 1 1 7685 6636 1 1 1 1 1 1 1 1 1 3883 8891 1 1 1 1 1 1 7385 1 1 7371 5608 1 1 1 1 1 1 1 10194 1 1 4454 4192 1 1 1 1 1 1 1 1 1 1 6585 5541 9390 10015 1 1 1 1 7563 1 1 1 1 1 1 1 8836 1 1 1 1 1 13256 1 4828 4443 1 1 1 1 3415 3500 1 1 216.0659 *216.0708* 216.0708@1.1993555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1261 1 1 1 1 1 1 1 216.0708 *216.0727* 216.0727@4.2142773 1 1 1 1 1 1 1 2373 1 1 1 1 1 1 3962 3103 1 1 2310 1774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2392 2574 1 1 1 1 1 1 1 1 1 1 1 1 1 2080 1 1 1 1 1 1 1 1 1 1 1 1 2482 2132 1 1 1 1 1 1 216.0727 *216.0777* 216.0777@4.2149577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0777 *216.0905* 216.0905@1.2019644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0905 *216.0909* 216.0909@0.9350329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2113 1 1 1 1 1 1 1 1 1 1 216.0909 *216.0932* 216.0932@3.7009501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4866 1 1 1 1 1 3858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4323 3437 1 1 4351 2940 1 5658 1 2444 1 1 2703 3671 3973 1 1 1 4383 1 1 1 3973 1 1 3054 1 1 1 216.0932 *216.0935* 216.0935@4.265245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0935 *216.0972* 216.0972@4.325759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0972 *216.0973* C6 H12 N6 O3 48632 35474 34322 1 1 25842 1 29251 35422 114114 1 1 1 1 1 75682 1 1 1 35702 60884 58633 1 1 1 1 1 1 1 1 128562 117247 1 1 48527 119564 50679 126167 1 1 52559 1 43482 21455 1 1 43500 1 1 1 31827 1 86267 40449 1 28751 17523 1 1 1 1 30866 29111 1 1 1 39238 1 1 16588 39090 21691 34589 1 1 1 1 1 1 1 1 1 12472 38428 1 1 1 1 77154 1 216.0973 *216.0975* C14 H16 S 1 1 1 28818 1 1 1 1 1 1 1 30891 1 1 1 1 1 24474 20428 1 1 1 1 1 25551 22200 1 31424 31265 33463 1 1 1 27573 31945 1 27032 1 21974 1 23353 26936 1 21869 36041 1 1 19171 13589 1 18432 1 1 17030 15166 1 10160 19766 27605 29510 14482 1 1 22948 20165 23960 1 17067 1 1889 1 1 1 1 36389 31274 1 1 25298 1 1 13726 24401 1 20303 25469 25340 13689 1 19583 216.0975 *216.0975* 216.0975@3.492579 3889 1 1 1 1 1 1 1 1 1 1 52767 1 1 1 48827 1 1 91738 1 49456 66509 1 1 84717 1 3581 1 1 1 1 1 1 1 42881 1 10371 1 1 2760 46312 87557 76998 1 66130 1661 4289 56582 1 1 24045 1 1 31081 1 49433 23059 3761 7933 1 1 23243 44399 4081 2426 38724 42197 1 1 1 42916 1 50690 1 54192 1 1 1 1 1 1 1 43534 41715 1 56588 1 36312 1 1 216.0975 *216.0977* C14 H16 S + 0.8082346 3397 2378 2035 1 4060 2167 2772 2920 2530 1 2533 2552 2990 2325 2775 3126 2760 3399 2015 2302 2074 1 2268 2305 2499 3064 2903 2577 3188 2219 2397 1969 1 2236 1 2459 2035 2496 1522 2790 1976 2021 1 1766 2404 2309 2002 3281 2213 2956 2070 2561 1 1 1948 1823 1 1946 1 1 1597 1 1662 1899 1571 2189 2283 1 1 1 1 1 1 1978 1 1 1 1 1 1 1770 1942 1 1 1603 1 1 1 1786 1 216.0977 *216.0977* 216.0977@3.5360165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0977 *216.0979* 216.0979@14.192037 1 1 1 1 1 1 1 1 2946 2631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0979 *216.0981* 216.0981@0.9449956 2834 4946 1 1 1 1 1 1 1 1 1 1 3063 1 4824 1 1 1 2870 1 3420 1 1 1 1 1 1 1 1394 1 3272 1 1 1 1 1 1 1 1 1 1 1 1 1 3601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0981 *216.0985* 216.0985@0.9180024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0985 *216.0986* 216.0986@7.822772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4968 3056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0986 *216.0996* C10 H16 O5 18809 13588 15170 16977 12816 13290 17891 17205 16128 13903 12743 10990 16716 15695 17594 16092 13708 15332 13716 14810 14366 14538 16969 18579 20756 19022 15641 15805 17660 19249 13165 14634 17305 17247 15072 16353 15528 17961 14636 14934 11231 9016 14989 14040 13940 15438 12147 10761 14124 12873 15679 14111 13825 16212 12288 14772 10407 12647 14651 19142 13397 14373 14738 13587 14071 15953 17066 17380 11298 14792 9933 12677 12921 11624 13775 12275 14208 13516 18876 18413 14313 12274 13593 13023 14825 15313 14180 12254 13424 14266 216.0996 *216.0997* 216.0997@5.335802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3386 1 1 216.0997 *216.1024* 216.1024@1.074906 1 1 1 1 3921 1 1 1 1 1 1 1 1 1 1 3646 1 1 1 1 1142 1 2986 1 3136 1 1 1 2931 1 1 1 1 1 1 1 1720 1 1 1 1 3113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1776 1 3264 1 1 1 1 1 1 1 1 1 1 216.1024 *216.1172* 216.1172@1.2860342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.1172 *216.1215* C8 H16 N4 O3 11646 11652 14484 17928 1 8381 1 1 13949 14250 1 1 13155 13897 12222 13593 14095 11526 17014 17434 1 1 16929 13784 10999 12683 17590 20003 11706 10152 1 1 13298 11868 16370 16693 11332 11152 14628 14347 19588 17664 17346 16590 11189 11149 1 1 1 1 12875 16037 15462 12995 14003 11897 13000 12431 15242 17194 1 1 30813 30073 16891 18099 16192 15347 14534 16754 13539 12218 13372 13341 1 1 13497 15481 10199 8649 1 1 15474 15429 15628 15748 37990 36642 14665 15909 216.1215 *216.1305* 216.1305@1.2411463 1 1 1 1 10729 1 11254 1 1 1 21098 22863 1 1 1 1 1 1 1 1 25571 23907 1 1 1 1 1 1 1 1 16769 16909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15771 14470 12937 12013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15826 17309 1 1 1 1 16355 15732 1 1 1 1 1 1 1 1 216.1305 *216.1359* 216.1359@3.0758333 1 2154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2299 1 1 1 1 1 1 1 1 1 1976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2069 1 1 1 1 1 1 1 1 1 1 2170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.1359 *216.1382* 216.1382@1.2435151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22584 21814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.1382 *216.1402* 216.1402@0.9340004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.1402 *216.1409* C6 H16 N8 O 2215 1 3092 3466 2260 1 7720 7851 2512 2628 1613 2261 2653 1781 1906 2117 1864 1 3742 2945 2693 1904 3392 3260 1278 1764 1776 1 1957 2287 3207 3238 2915 2613 3005 3043 6480 5789 4098 4355 2777 3013 3162 2623 2641 2997 4496 4634 1 1479 4067 3349 3799 4259 2796 2699 1329 1284 4843 5275 2945 3097 3367 3845 1 2103 1 1 3129 3267 1 3431 2269 1814 2500 1 2776 3141 3763 3570 3693 3275 2441 1920 2238 3547 2573 1818 3618 3157 216.1409 *216.1464* 216.1464@1.0415368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11654 12240 1 1 1 1 1 1 1 1 1 1 216.1464 *216.1497* 216.1497@9.01764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1130 1 1 1 1993 1 1 1 1 1 1 1 1 1 1 1 216.1497 *217.1011* 217.1011@3.4444854 1 1 1 1 1 1 3095 1 1 1 1 1 1 1 6920 1 1 1 5223 1 8800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.1011 *217.1013* 217.1013@3.3941376 1 2917 1 1 1 1 3810 12690 4462 12620 1 1 3567 1 6124 1 1 10242 7954 1 2969 1 10238 1 11807 1 2721 1 1 12154 1 12763 1 1 1 1 1 1 1 1 9161 11537 2108 6364 10066 4042 7726 8127 4147 1 6618 2161 1 1 1 1 1 1 1 1 8364 8888 1 3141 1877 1 1 8071 1 1 1 1 1 1 1485 8730 1 3896 1 3606 1 1 1 1 1 1 2236 8127 1 1 217.1013 *217.1086* 217.1086@4.635753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1339 1208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.1086 *217.1104* 217.1104@6.7341547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1683 1581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.1104 *217.1105* 217.1105@1.243047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5640 5334 1 1 1 1 1 1 1 1 1 1 217.1105 *217.1119* 217.1119@1.0960398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2371 1 1 1 1 1 1 1 1 1 1 217.1119 *217.1139* 217.1139@5.3504667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.1139 *217.1286* 217.1286@4.363101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.1286 *217.1299* 217.1299@3.065265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.1299 *217.1313* C10 H19 N O4 21307 21428 30136 29607 42905 43137 95089 96337 26147 26946 53748 53074 21345 20904 31459 33089 34025 34851 43211 40889 17922 19076 23184 23840 18919 19047 40701 41806 19921 19446 31798 32885 32504 35332 12867 12554 25231 25094 18762 18528 22411 21971 40932 38963 25130 24443 37425 38060 26824 25931 19483 19851 45713 45082 30811 31779 19744 19474 20508 20021 32933 33122 26928 26990 33600 33757 24658 25589 27798 29177 23292 23460 42456 40580 20888 20365 24484 24316 24744 25009 16120 16632 43005 44367 19263 21287 61268 62270 15067 14401 217.1313 *217.1336* 217.1336@0.97427654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1399 1 1 1 1495 1 1 1 1 2755 2345 1 1 1 1 1 1 1 1 1 1 217.1336 *217.1411* 217.1411@0.901351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2486 2540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2493 1 1 1 1 1 1 1 1 217.1411 *217.1446* 217.1446@1.2035449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1493 1433 1 1 1 1 1 1 1 1 1 1 217.1446 *217.146* 217.146@10.035761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.146 *217.9136* 217.9136@0.83200467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.9136 *217.9632* 217.9632@0.80140954 1 1 1 1 1 1 6623 1 1 1 1 1 1 6442 6493 6939 6829 1 6232 1 1 5537 1 6255 6657 1 1 5924 5261 5994 1 6341 1 6554 1 1 1 1 1 5536 6278 5425 1 1 1 1 1 1 1 1 7129 7148 1 1 5880 1 1 1 1 1 1 7103 6125 6687 1 1 1 6716 1 6023 1 1 1 6222 1 1 1 1 5561 6713 6403 1 1 6712 1 6878 1 6144 1 1 217.9632 *218.009* C7 H7 Cl N2 O4 1 1312 1653 1956 1600 1635 1100 1232 1234 1704 1753 1805 1 1 1061 1056 1 1 1365 1443 1202 1304 1461 1176 1045 1354 1461 1522 1 1031 1 1 1 1983 2083 2122 2080 1 1 1218 1630 1631 1975 1688 2275 1 1 1 1137 1483 1282 1558 1081 1183 1288 1 1619 1498 1 1 1 1303 1217 1203 2017 1 1724 1587 1 1869 1803 1610 1 1696 1908 2071 2037 1 1360 1608 1569 1218 1419 1 1 2607 1 1926 1173 1263 218.009 *218.0117* 218.0117@1.2190106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0117 *218.0169* 218.0169@1.1225277 1 1 1 1 1 1518 1125 1 1 1 1236 1267 1 1586 1 1509 1869 1 1 1 1 1 1296 1 1 1 1 1745 1 1 1817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1236 1 1 1 1 1647 1901 1 1754 1 1080 2413 1 1 1 1 1 2093 1 1 1 1 1 1 1 1 2045 1925 1 2088 1 1 1 1 1 1 1723 1 1 1 1 1 1 1 218.0169 *218.0194* C5 H11 Cl O7 1 1 1300 1437 1042 2308 1 2077 1 1 1 1 1 1 1 1043 1 1007 1 1 1622 1 1 1 2221 1839 1139 1 1 1 1667 2885 1 1 1342 1 1153 1 1 1 1 1 1093 1539 1 1 1546 1723 1 1146 1 1446 1674 1905 1049 1067 1558 1 1632 1002 2992 3116 1776 1 1197 1017 1 1108 1541 1316 1076 1559 3484 2648 1326 1330 1710 1920 1 1 1 1 3086 1761 1 1389 1672 2335 1 1081 218.0194 *218.0201* C7 H10 N2 O2 S2 36289 35065 36420 36179 46871 48089 54698 54551 39211 38820 32231 34265 32877 38826 37695 38154 10389 42947 35923 12156 38677 35549 35805 37460 11380 40637 40548 9993 40286 39350 43913 10024 30532 13003 40012 47273 36913 36364 38648 39033 40210 39682 40503 41172 48892 47439 51915 55635 39910 45927 45721 40540 39096 43565 43764 38659 25554 48483 44044 8127 34382 36599 10968 32334 39664 39816 38503 12873 25066 35026 31269 33814 54333 46006 38333 38402 37545 36413 12857 40002 33619 33367 42309 9250 45546 39244 22831 23341 39265 39479 218.0201 *218.0201* 218.0201@0.8752586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40243 1 1 34996 1 1 1 1 40522 1 1 37121 1 1 1 43427 1 26684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21006 1 1 42084 1 1 34016 1 1 1 1 34255 1 1 1 1 1 1 1 1 1 1 32467 1 1 1 1 44179 1 1 1 1 1 1 218.0201 *218.0754* C5 H10 N6 O4 80495 1 64876 1 1 45171 1 1 70863 70132 1 66014 1 61264 75466 1 78999 80228 73110 72656 70613 1 65611 65498 1 1 1 1 1 1 73261 72763 76866 1 1 1 61792 1 1 1 1 1 68086 69303 1 1 61617 63509 1 56117 1 66665 73315 69527 81647 80910 1 1 1 63115 68013 67609 78133 78159 63163 1 1 1 74237 1 53355 1 50877 1 1 1 1 1 45695 1 1 1 1 1 1 1 57911 60913 1 1 218.0754 *218.0764* 218.0764@1.1932187 1237 1276 3268 3278 4935 4803 1 1 1897 1687 1122 1208 3059 3170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1731 1533 1269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1880 1957 1451 1634 5409 5507 1 1 1 1 1 1 1 1 1 1 1 1 2175 1918 1 1 4555 4149 1 1 4522 4949 218.0764 *218.0786* 218.0786@1.5280617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1644 1 1 1 1 1 1 1 1 1 1 218.0786 *218.0804* TRIACETIN 1014 1 1310 1149 1278 1027 1 1074 1 1178 1162 1 1 1121 1 1 1 1 1105 1 1 1 1139 1 1122 1 1049 1290 1 1111 1105 1 1 1 1 1 1 1233 1 1 1124 1 1 1155 1082 1 1148 1341 1264 1 1142 1048 1 1136 1061 1267 1365 1160 1236 1395 1 1 1221 1045 1083 1 1290 1387 1317 1465 1 1241 1 1485 1 1171 1434 1252 1 1302 1188 1 1019 1228 1030 1250 1021 1593 1051 1236 218.0804 *218.0868* 218.0868@1.2820493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1059 1 1 1 1 1 1 1 1 1 1 1 218.0868 *218.1009* 218.1009@1.2453518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3267 3393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3859 1 1 1 1 1 1 1 1 1 1 218.1009 *218.101* 218.101@3.4369006 1 1 1 1 1 1 1 1 1 1 1001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.101 *218.1028* 218.1028@4.3060555 1 1 1 1 1 1 1 1983 1 1 1 1 1 1 1454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1544 1792 1 1 1 1 1 1 1513 1 1 1 1 1 1 1 1 2104 1 1 1 1 1 1 1 1 1 1 1 1 218.1028 *218.1057* 218.1057@1.2433593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5404 1 1 1 1 1 1 1 1 1 1 3547 218.1057 *218.1065* 218.1065@5.128208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1584106 1586069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.1065 *218.1106* 218.1106@3.4802628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.1106 *218.1121* 218.1121@4.2858076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2357 2514 1 1 1 1 1 1 1 1 1 1 218.1121 *218.1132* 218.1132@1.2407978 1 2304 1 1 3428 1 3134 3407 2824 2295 1 3464 1 1 1 1 1 1 1 1 2552 2531 1 1 1 1 1 1 1900 1641 4203 3792 2936 3411 2685 1 1 1 3748 2652 1 3381 1 1 1 1 1 3600 2106 1 1 1 1 3714 1 1 2804 2632 2564 3030 1 1 1 1 1 1 1 1 2721 1 1 2978 1 1 2567 2692 1 1 1 1 2143 2163 1 1 1 1 1 1 2941 1 218.1132 *218.1149* 218.1149@1.2405723 1 1 3863 1 1 1 1 1 1 1 3401 1 1 1 1 1 1 2584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2470 1 1 1 1 1 1 1 1 1 1 3815 2883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3396 1 1 1 1 1 1 1 1 1 1 1 1 1 218.1149 *218.1198* 218.1198@1.2404754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2755 1 1 1 1 1 1 1 1 1 1 1 4142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.1198 *218.1286* 218.1286@0.8905236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1042 1082 1 1 1 1 1 1 218.1286 *218.1403* 218.1403@3.9296694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1439 1703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.1403 *218.1498* 218.1498@5.917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.1498 *218.1526* 218.1526@0.88154376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.1526 *218.1575* 218.1575@1.0130347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1340 1 1 1 1 1 1 1 1 1 1 1 218.1575 *218.1628* C10 H22 N2 O3 1 1 1092 1 1596 1291 1677 1644 1 1 3013 2704 1 1 1 1 3750 3571 2047 2005 1 1 1 1 1312 1350 1747 1992 1 1 1454 1027 7192 7133 3857 4354 3707 3449 8421 9254 9431 9581 1 1 1 1 2128 2208 5491 5046 1774 1765 2944 3236 1 1 1 1 1 1 1058 1069 1 1 1 1 6773 5899 1 1 1 1 1 1 1347 1535 1 1 1 1 2332 2322 1506 1566 1 1 13749 13983 3312 3821 218.1628 *218.1874* 218.1874@9.838246 4073 1802 1108 1382 1 1 5412 1 1 1 5413 1 1 1 1076 1 1 1 1 1356 1 1 1 1495 1 1 1 2176 1 1 1 1 1 1 1 1 1 1 1 1 1 1162 2633 1 1 1 4898 2154 1 1525 2458 1 1 21993 1 1 2720 1 1610 4742 1 1921 1 3531 2240 1 1 1 1 2405 1 1 1 1 2601 2585 1 1273 1 1143 1603 1 1 1 1 1 1 1 2297 13132 218.1874 *218.1875* 218.1875@9.859415 1 2875 1640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1129 1 1 1 1 1 1 1 1 1 1 1 1 1 1007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1587 1 1 1 1 1 1 1 1 1 1 1 1 218.1875 *218.1876* C12 H26 O3 + 10.491899 2949 4807 2758 3628 3194 3038 3897 2710 2751 3601 2589 2694 3739 4083 2847 2312 1 3706 3600 3044 5465 5982 5454 5304 4509 5002 2592 3389 4436 4335 1832 1800 2609 2000 2963 3147 2460 2393 2763 2420 1831 1 2475 2737 2305 1 1841 2511 2165 2381 2508 3186 2627 2759 2232 1824 1863 1953 1878 3841 1997 1985 3058 3275 1919 3046 3747 3084 3713 4154 1784 2684 1 1627 2210 2323 3214 2950 1444 3232 2373 2365 1948 1 2148 2106 4619 2394 3094 3232 218.1876 *218.1884* C12 H26 O3 166401 168358 135800 137308 116247 116454 155204 156698 133585 133751 148226 151484 161303 164872 185428 188785 136855 137717 168708 168181 258507 263062 216689 223793 235632 235904 175735 178456 237448 233199 165528 171046 119606 120746 224515 224024 156548 150001 149328 148033 120360 123976 150476 158469 149252 144186 115165 117247 131349 132086 189876 185753 210673 186937 156639 157205 152627 158747 151639 154010 128444 127881 108419 105905 120762 114725 113985 112042 134313 140801 98311 94343 105827 108472 133799 135017 111729 104461 105288 108085 119018 114094 113215 110649 125546 122250 126643 124459 164481 149604 218.1884 *218.1992* 218.1992@0.8450066 1 1 1038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1283 1 1 1 1 1 1 1 1 1 1 1119 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1370 1 1 1 1213 1 1 1 1 1 1297 1 1319 1 1 1 1 1 1 1031 1 1 1 1 1240 1 1 1 1 1 1 1 1 1 218.1992 *218.9679* 218.9679@0.8011268 1 1 1 1 1001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1113 1 1 1142 1 1 1 1 1 1 1086 1 1 1063 1 1 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1021 1057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.9679 *219.0605* 219.0605@5.23127 1 1 10859 10109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.0605 *219.0627* 219.0627@1.0490094 1 1 2628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1588 1 1 1 1 1 1928 1 1 2945 1 1 1 1 1 1 1 1 2041 1 1 1 5438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.0627 *219.0658* 219.0658@3.8504899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1520 1830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2347 1969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.0658 *219.0906* 219.0906@0.8526146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7297 9030 1 1 1 1 1 8106 1 1 1 1 1 9258 1 1 1 1 1 219.0906 *219.0955* 219.0955@0.870519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1381 1 1 1 1 1 1 1645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2774 2968 1 1 1 1 15316 16053 1 1 1 1 13865 11501 4333 12815 16529 14469 1 1 219.0955 *219.1011* 219.1011@3.2890162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4954 5342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.1011 *219.1109* Pantothenic Acid 6258 6048 3777 3153 22457 21656 6622 6445 19188 18766 14264 14821 10935 11760 5271 5500 14422 14908 17116 17009 10758 10982 6631 6328 10217 10447 19173 18030 6246 6194 8916 8413 12391 11976 6541 6499 5574 5882 22658 20993 9485 9594 10225 10297 16286 16677 8438 8089 5636 6002 16314 16939 17896 18685 5325 6158 14541 14711 4114 4249 4688 4556 11848 12111 19107 19014 5425 5935 9760 9455 8183 10256 9462 9115 15138 12576 10084 10504 43682 45305 18931 18584 18155 17276 7187 7193 5614 4732 15029 14508 219.1109 *219.1125* 219.1125@3.3625934 6212 6794 1 1 1993 1 2421 1679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3066 2969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4008 4426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8165 7855 1 1 1890 1 1 1 2935 3082 1 1 1 1 1 1 219.1125 *219.1127* 219.1127@1.2407681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2395 2490 1 1 1 1 1 1 1 1 1 1 1 1 1096 1266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1116 1172 1 1 2488 2458 1 1 1 1 1 1 1 1 1 1 219.1127 *219.1171* 219.1171@1.2430127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1445 1 1 1 1 1 219.1171 *219.1653* 219.1653@9.834804 1 1 1 1 1 1 1 1 1 1 1 1 1111 1 1241 1265 1 1 1 1041 1283 1467 1 1 1380 1655 1290 1299 1363 1420 1 1318 1241 1 1 1401 1 1279 1 1 1 1 1 1 1 1 1 1 1 1 1 1072 1509 1352 1 1 1 1159 1 1243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.1653 *219.904* 219.904@0.8455298 1 1 1 1 7156 1 1 1 7900 1 1 1 7876 1 7752 1 1 1 7701 1 1 1 7653 1 1 1 7412 1 1 7497 1 1 1 1 1 1 7259 7518 1 1 1 1 1 1 1 1 1 1 1 1 1 7092 1 1 1 1 2646 1 1 1 1 7580 1 6995 1 1 1 1 1 1 7343 1 1 1 1 1 1 1 7448 7108 1 1 1 1 1 1 1 1 1 1 219.904 *219.9049* C6 H Cl O3 S2 7867 8263 7340 7653 1 7820 1 8173 1 8048 8097 7316 1 8039 1 8210 8495 8636 1 7179 1 8247 1 7768 7999 7721 1 7318 8013 1 7960 7465 8205 7505 8305 7985 1 1 7875 7425 8301 8035 7849 8235 7923 7703 7980 8288 3284 8458 7423 1 1 1 7928 8112 3948 1 8219 7947 7608 1 7153 1 1 7324 7230 7129 7408 7141 1 7561 1 8067 7557 6550 1 1 1 1 6943 1 7919 7428 6815 7184 7200 7297 7817 7903 219.9049 *219.9282* 219.9282@0.80301446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2943 1 1 1 1 1 219.9282 *219.9368* 219.9368@0.8070073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9368 *219.9961* 219.9961@1.1288413 1 1286 1 1 1 1 1 3775 3088 2484 2356 2755 1690 1806 1 1 4359 1 3007 3038 1 1 1 1 1 1 2584 2429 1 1 1 1 3426 3852 1 1 1 1 2120 1974 2331 2872 3656 1 3264 3835 1659 2111 1386 1700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9961 *220.0204* 220.0204@0.8374986 1 1 1 1 1 1 1 1 1 1 1 1 1451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.0204 *220.0251* 220.0251@0.86801964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3224 1 1 1 1 1 1 1 1 1 9955 1 1 1 1 1 1 1 3474 1 1 1 220.0251 *220.0296* 220.0296@0.88306403 1 1 1 1 7372 6295 1 1 1 1 4577 1 3677 1 1 1 4330 1 1 1 33544 35791 1 1 1 1 1 1 1 1 6372 5582 1 1 5482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5566 4420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5059 15815 1 5921 1 1 1 1 1 1 1 1 1 1 1 1 1 3633 5139 6271 220.0296 *220.039* 220.039@1.0194952 1 1 1 1 1 1 1 1 1802 1 1 1 1 1 2045 2401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2943 1 1 1 1 1 1 1 1 2039 1378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6250 6170 1 1 1 1 220.039 *220.0671* 220.0671@0.84301305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.0671 *220.0828* 5-Hydroxytryptophan 1 1 1 1 1646 1450 1598 1649 1 1 2090 2536 2564 2478 1 1 1 1 1 2082 1 1 1 1 1 1 1482 1611 1 1 1 1 2148 1912 1 1554 1 1 1155 1 2138 2073 1 1 1 1 1824 1701 1291 1 1 1 2615 1 1 1 1784 1677 1 1100 2355 1830 1 1 3649 3726 2061 2259 4257 3818 2794 2052 1 1 1624 1461 1990 2036 1833 1650 1333 1 1 1 1666 1581 1146 1297 1 1 220.0828 *220.0857* 220.0857@3.3085134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1909 1 1 1 1 1 2104 2358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1062 1 1 1 1 1 220.0857 *220.111* 2-ISOPROPYL-3-METHOXYCINNAMIC ACID 3025 2475 3075 1670 2429 2534 2679 2493 2304 2690 1927 1914 2617 2512 2199 2787 2852 2618 2765 1993 2437 2098 2474 2182 3034 2691 2403 2349 2230 1866 1976 2606 2506 2904 2446 1711 2818 2524 2809 2589 2705 2569 2784 2379 1 2710 2095 2267 2468 2412 2422 2256 2418 2511 1908 2484 2119 2651 2035 1630 2381 2137 2553 2680 2176 2341 2395 2671 2130 1807 2286 1911 1785 2166 2306 2171 1855 1 2371 2098 2444 2369 1620 2403 2413 2360 2305 1949 2333 2316 220.111 *220.1112* 2-ISOPROPYL-3-METHOXYCINNAMIC ACID + 11.305641 6319 7336 7131 7284 6724 6701 6320 7212 6280 6760 6399 6831 6616 7796 6479 6620 5889 6997 6832 6859 6893 6626 6335 6762 6269 6901 6551 7047 6653 7034 6407 6428 6507 6301 6298 6893 6704 6729 6315 6282 6657 6802 6137 6280 6885 6579 7661 6377 6339 6412 7006 4278 6422 6185 6624 4338 5818 7292 6214 6683 6042 6733 6191 6028 6842 6665 6933 5809 6243 6597 6117 5773 6557 4538 5863 6314 6855 6939 6364 6085 6291 5984 6182 6903 4048 6729 5808 5957 6835 5902 220.1112 *220.1159* 220.1159@3.3412933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3218 1 1 1 1 1 1 1 220.1159 *220.1204* 220.1204@2.964458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2526 2287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.1204 *220.1207* 220.1207@2.8940065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.1207 *220.1212* 220.1212@5.081223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.1212 *220.1301* C10 H20 O5 3448 3241 3465 3576 3110 3460 3276 3195 3416 3035 2807 3418 3080 3232 3044 3086 3519 2903 2878 2659 2888 3125 3590 3002 2946 3005 2763 3401 2767 3227 3339 3246 2725 3421 2911 2698 3213 3068 3338 2893 3478 3383 2744 2817 2280 2200 1821 1894 2002 2230 1580 1924 1 2137 2097 1867 1706 1986 2183 1906 1 1 1 1557 1 1505 1 1 1 1114 1868 1 1 1 1 2033 1 1 2303 2068 1 1 1641 1 1 1 1 1505 1 1 220.1301 *220.1301* C10 H20 O5 + 3.9464858 1621 1594 1474 1312 1253 1446 2227 1 1342 1330 1259 1054 1335 1 1 1367 1379 1603 1 1 1342 1371 1 1254 1205 1 1313 1408 1274 1275 1186 1189 1152 1 1204 1 1241 1 1324 1640 1 1201 1212 1285 1 1 1 1 1 1 1 1 1 1 1066 1 1 1 1 1 1 2049 1 1 1 1 1 1 1777 1 1 1765 2284 1 2454 1 1525 1833 1076 1 1 1 1 1 1354 1 1452 1 1 1 220.1301 *220.1302* 220.1302@4.227546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.1302 *220.1353* 220.1353@3.731706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1814 1 1641 1 1573 1 1 1957 1 1 1 1913 1 1 1 1 1 1 1847 1 1 1 1 1617 1 1 1436 1359 220.1353 *220.1563* 220.1563@3.6926582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1406 1 1 1 1 1363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.1563 *220.1572* 220.1572@4.6906624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2737 2589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.1572 *220.1589* 220.1589@3.6887312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1979 3056 1003 1 3417 6099 3403 1409 1033 1 1 1 1 1 1 1634 1047 1 1 1274 2158 3445 1 4382 1892 1744 2856 3549 220.1589 *220.1625* 220.1625@3.88222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2199 2264 2903 3364 2713 2919 8622 8295 4224 3875 3115 3127 1523 1680 1342 1345 3396 3585 2381 2184 2455 2493 2680 2599 3850 5929 3099 3417 6261 4251 220.1625 *220.1787* 220.1787@0.9099636 1 1 1229 1 1 1 1 1 1 1 1817 1714 1 1 1 1 1395 1288 1214 1 1 1 1 1 1 1 1348 1172 1 1 1 1 1 1 1 1 1 1 1325 1503 1084 1068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1471 1358 1 1 1 1 1217 1262 8272 8368 1 1 1282 1259 1 1 1632 1378 1 1 220.1787 *221.0909* 221.0909@0.9890159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 221.0909 *221.1383* 221.1383@6.805125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 221.1383 *221.1393* 221.1393@6.7866488 1 1 1 1 1 1 1 2060 1 1 4242 1039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2340 2619 1 1 1 1 1 1129 1 1 1 1 1 1 2922 3379 1 1 1840 1465 1 1 1 1 1 1 1 1 1139 1 1 1 1 1 1 1 1 1 1 1 1 1728 1 1 1 1288 1 1 1 1 1 1 1 1 1 1598 1 1 1 1 1 1 1 1 221.1393 *221.1618* 221.1618@3.0525382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2616 2641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 221.1618 *221.162* 221.162@2.933035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1273 1613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 221.162 *221.1621* 221.1621@2.960005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 221.1621 *221.1754* 221.1754@10.597167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1001 1 1028 1 1141 1 1250 1 1 1 1 1 1 1 1 1137 1 1 1 1 1111 1 1 1045 1 1 1 1 1 1315 1281 1021 1 1 1 1 1 1 1 1 1119 1017 1 1209 1 1 1 1115 1 1 1 1 1 1 1 1 1 1 1 1 1 1476 1 1 1281 1 1 1 1 1 1 1 221.1754 *221.178* 221.178@7.201641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4771 4660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 221.178 *221.8842* 221.8842@0.8396471 1 1 1 10494 1 1 1 1 1 1 1 1 1 1 1 1 11017 1 1 1 1 1 1 1 1 1 11600 5937 1 1 1 10848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5943 1 1 1 1 1 1 1 1 1 1 1 10671 1 1 5984 1 1 1 1 1 1 1 1 1 1 1 1 1 10480 11135 1 1 1 1 1 1 1 1 10284 1 1 221.8842 *221.8855* C7 H Cl3 S 5635 6056 5684 1 5955 5439 6253 6385 6147 5450 5634 5641 6004 5914 11598 6331 1 6222 5738 5782 11186 6054 6130 5677 11038 9836 1 1 5648 5612 5726 1 5565 5734 6452 5718 5933 6022 6202 10903 6019 6061 5861 5882 6047 5750 5912 11608 1 6506 5498 5901 11483 6305 1 6354 2483 6029 5513 5891 1 6495 6010 1 6063 5797 6228 5484 1 10452 5859 5625 5248 11197 5664 9716 5904 1 1 6388 6103 5657 6270 5773 5388 5746 5590 1 5950 6280 221.8855 *221.9803* 221.9803@0.8398598 1 1 1 1 1 1 1 1 1103 1 1 1 1 1 1 1 1 1 1023 1 1 1 1 1 1 1 1 1 1006 1 1 1 1 1 1 1 1 1097 1 1 1 1 1 1 1 1 1 1104 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1055 1 1 1 1 1 1 1 1 1 1 1 1 221.9803 *222.0635* 222.0635@2.9621944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3472 1 1 1 1 1 1 1 1 1 1 1 222.0635 *222.084* 222.084@0.91030705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5688 1 1 1 9208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7812 9228 8612 1 1 1 1 1 1 1 1 1 1 1 1 1 6206 6151 1 1 2170 1 7265 7121 15566 1 9568 13673 6928 7257 1 1 8807 1 8935 8812 1 1 1 1 7180 1 8214 8395 1 7254 1 4486 1 1 11418 14435 7881 7964 222.084 *222.0853* C8 H18 N2 O S2 86781 87625 78438 78146 128111 122475 57096 57201 65082 66239 71116 64986 7730 89543 89596 84591 1 34319 46282 45895 1 7961 97285 95383 6168 6611 100148 96871 108368 106409 31269 7511 43162 7057 78669 80008 1 1 1 43549 77033 77810 41828 40858 64017 64852 74212 75486 50209 47897 21424 21226 1 1 19715 6345 7518 8724 1 1 1 16048 1 1 1 1 21706 31501 1 8406 1 1 16506 16019 75286 74277 1 18280 1 1 7202 1 20044 2327 18051 18244 1 1 1 1 222.0853 *222.0904* VALERYL SALYCILATE 6728 7019 1966 4951 1 4257 2864 2857 5489 5102 6048 6868 6331 6271 5739 5574 5265 4974 5398 4820 7760 7263 3317 7754 8179 7499 5204 5017 6776 6933 5645 5286 7151 6470 7725 7314 6358 6256 5721 5673 5404 5328 6525 5709 5287 5104 2470 6186 4501 4824 8965 7754 8149 8046 7413 7846 6571 6386 6277 6541 6325 6132 6286 7188 6456 5650 5834 5882 7373 6817 4694 4812 2213 4718 4903 4920 5807 5683 5832 6218 6304 7191 5993 6145 7151 7174 5798 6553 5408 5936 222.0904 *222.0908* 222.0908@7.7181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1523 1716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1670 1370 1 1 1 1 1 1 1424 1695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.0908 *222.0985* 222.0985@3.1111681 1 1 1 1 1 1131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3048 3105 1 1 1 1 1908 2494 1 1 1817 2039 2351 2133 1 1 1 1 1124 1059 1293 1 1 1 1 1114 1001 1093 1013 1 1 1 1 1 1 1 1 1 1 1 1927 2069 1 1 1134 1266 4195 4926 1298 1526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2218 2291 1489 1545 1 1101 222.0985 *222.1104* 222.1104@2.999083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9926 10854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.1104 *222.1108* 222.1108@4.115332 1 1 1032 1035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.1108 *222.1218* 222.1218@8.105342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.1218 *222.1264* 222.1264@8.356783 1 1 1087 1 1 1 1 1106 1 1 1 1 1 1 1117 1 1444 1452 1 1 1 1087 1 1 1 1 1 1478 1 1245 1 1021 1 1265 1 1344 1230 1312 1214 1 1 1 1016 1084 1240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1244 1 222.1264 *222.9815* 3,5-dichlorosalicylic acid 5192 8621 9544 5396 4774 8439 8531 8456 8942 4746 7213 7935 4799 4879 9172 8900 8150 4887 8109 8148 8569 8478 6044 9493 8959 8273 8877 8435 9408 9229 9056 9627 10146 9886 10023 6107 10714 10145 9026 9055 8464 5308 9960 10716 9119 9166 5650 8736 11061 11250 9682 10031 6661 10305 8907 9781 9742 10147 10098 10920 10412 5927 8436 9641 9517 5251 9371 9998 9486 9742 8938 9048 8975 9614 9875 8994 5785 9749 9293 9264 5409 9593 11262 11028 10035 9692 5170 9082 8495 4720 222.9815 *222.9916* 222.9916@12.923443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.9916 *223.0124* 223.0124@5.3861704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1651 1656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.0124 *223.0208* 223.0208@4.3643155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1134 1039 1 1 1 1 1 1 1 1 1 1 223.0208 *223.0558* 223.0558@1.122041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 1 1 1 223.0558 *223.085* 223.085@3.1551943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3971 3866 1 1 1 1 1 1 1 1 1 1 223.085 *223.0875* 223.0875@0.90799886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.0875 *223.0938* 223.0938@0.895812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4048 1 1 1 1 1 4297 4630 1 1 1 1 1 1 1 31500 1 2896 1 1 1 1 1 1 3275 1 1 1 3328 3151 2855 1 3181 3523 1 1 1 1 1 1 2904 2983 1 1 2966 3459 1 1 1 1 1 1 1 1 223.0938 *223.1005* N-Fluorenylacetamide 4484 4336 4525 4432 5864 5872 3756 3521 5345 4881 1 2905 4880 4975 4578 5011 3471 2904 3953 4373 1 1 16015 14499 3060 2964 1 2121 1 1 1 3428 4187 4159 4299 4230 1 2256 1 4284 4660 4837 1 1 4747 4477 1 1 3468 3530 3479 1 2708 1 1 2630 2541 2460 3041 2556 1 1 1 1 1 1 1 1 1 1 2575 2339 2676 2949 3488 3518 1 1 2392 2578 1 1 2966 3031 2927 2645 1 1 3885 4028 223.1005 *223.1059* 223.1059@0.88333374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9959 10480 1 1 1 1 21249 18531 14225 18166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.1059 *223.121* 223.121@2.9980133 1 1 1 1 1 1 1 1 1 1 1 9041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.121 *223.8593* 223.8593@0.83906925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.8593 *223.8628* 223.8628@0.84139115 2604 2517 2821 2933 2525 2592 2505 2653 2509 2699 2466 1 2487 2520 2417 2542 2491 2670 2464 2316 2533 2443 2292 2235 2408 2260 2562 2453 2621 2159 2609 1 2267 2269 1957 2667 2261 2635 2776 2559 2895 2532 2358 2305 2184 2359 2606 2510 3083 2612 2411 2711 2415 2576 2058 2654 2397 2160 2339 2259 2114 2110 2598 2380 2425 2460 2228 2402 2405 2372 1 2419 2339 2304 2174 2495 2787 2310 2981 1 2379 2382 2423 1 3103 2655 2692 2246 2502 2433 223.8628 *223.9847* 223.9847@0.77700156 1842 1 1 1935 1 1 1 1 1 1780 1 1 1811 1 1 1 1 1882 1 1 1 1 2184 1 1 1 1 1 1 1 1 1 1 1 1 2136 1 1 1 1 1 1931 1 1 1 1 1949 1 1 1 1 1 2357 1 1 1 1 1 1 1 1 1888 1 1 1 1804 1 1 1 1 1 1 1 1 1 1 1989 1 1 1 1815 1 1 1 1 1 1873 1 1 1786 223.9847 *224.0277* 224.0277@0.8950015 1 1 25569 1 1 1 1 1 1 1 28969 1 1 29191 1 1 1 1 27085 1 1 1 1 1 1 1 1 1 1 1 1 1 26593 1 1 1 1 1 1 1 1 1 33038 1 31248 1 1 1 1 32075 1 1 36364 1 1 1 1 1 1 1 1 33146 1 1 1 1 1 1 1 1 1 1 1 35944 1 1 1 1 1 4256 1 1 1 1 1 1 1 1 1 1 224.0277 *224.0298* 224.0298@3.431718 1 1 1 1 1 1 1171 1 1 1 1 1 1307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1121 1 1 1 1 1 1 1 1 2095 2113 1 1 1 1 1420 1364 1 1 1 1 1973 2037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1034 1 1 1 1 1 1 1 1 1 1 1 1 1 224.0298 *224.0364* 224.0364@7.5040817 1 1 1 1 1482 1550 2650 2691 1241 1066 1 1 1 1198 1769 2065 1313 1341 1076 1 1 1651 1279 1373 1591 1516 1 1 1 1 1251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1218 1041 1 1 2847 2517 1381 1702 1 1 1 1 1 1019 1 1301 1 1 1004 1304 1504 1168 1245 1134 1 1 1 1 1 1 1 1 1 1940 1569 1719 1 1 1 1 1439 1077 1 1 224.0364 *224.0575* 224.0575@3.4150438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1242 1104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.0575 *224.0661* Benzylmalic acid 6923 7686 16280 16175 13709 14869 1979 2639 6380 7213 5988 5996 22964 22781 1201 50164 2163 2406 2839 2897 7965 8815 16720 16235 1626 1611 14984 15424 9766 9346 3785 4259 14601 15116 10227 10580 2384 2274 1 10091 9747 9739 2818 2836 5169 6610 6172 6156 3671 3258 1530 1653 1 1 1 1 1 1 1 1 1324 1088 1033 1135 1 1 1201 1455 1 1 1244 1075 1 1 34266 33234 2242 2410 1233 1292 1 1297 2028 1781 1102 1156 2385 1635 1 1 HMDB02081 224.0661 *224.0662* 224.0662@3.4775734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.0662 *224.0918* 224.0918@4.070847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18621 19432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.0918 *224.0966* 224.0966@4.066181 1 1 1 1 1 1 1 1 1 1 1 1 2337 3958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3257 1 1 1 1 224.0966 *224.098* 224.098@1.2450469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7167 1 1 1 1 1 1 1 1 1 1 224.098 *224.0987* 224.0987@4.0304537 1 1 1138 1 1 1 1908 1725 1 1 1 1 1 1 1 1 1 1 1 1 1193 1 1 1 1 1 1 1 1 1 1 1 1 1 1885 1 1 1 2413 1 2174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1076 1 1 1 1 2448 2212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.0987 *224.1237* 224.1237@1.0471117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1459 2118 1 1 1 1 1 1 1 1 1 1 1 1658 1 1 1 1 1 1 1 1454 1 1 1 1 1 1 1972 1 1981 1 1 1 1 1 1 1 1622 1 1088 1 1 1 1 1475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.1237 *224.1245* 224.1245@1.0451168 1128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1775 1 2328 2958 3053 1 1 1448 1 1 1 1284 2199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.1245 *224.1261* 224.1261@3.288707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9354 9159 1 1 1 1 1 1 1 1 1 1 224.1261 *224.1416* Methyl jasmonate 2064 1780 1 1 1 1602 2343 2202 1952 2178 1791 1937 1914 2140 1871 2288 1622 2400 2306 2374 2049 2339 1919 2464 1 1 1905 2338 2198 1908 1498 1604 1963 2027 1978 1997 1 1594 2414 2053 2026 2230 1875 2094 2128 1 2169 2342 2407 2618 2095 2026 2351 2065 2475 2279 2069 1830 1390 1247 1923 2578 2154 2173 2055 2228 2101 1 2051 2222 1052 1 1765 2034 2068 2358 2398 2782 1 2398 2239 2611 2010 2463 2043 2356 2443 2246 1983 2294 C11512 224.1416 *224.1479* 224.1479@8.567295 1 1 1 1 2363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1852 1 1 1 1 1 1 1 1 1 1 1 224.1479 *224.1735* 224.1735@9.448317 1 1 1 1 1 1 2539 2821 1 1 1 1 1 1 1430 1 1 1 1 1 1730 1318 1 1 1339 1711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1448 1582 1 1 2209 2266 1 1 1 1 1 1 1 1 1528 1997 1 1 1 1 1441 1648 1173 1 1 1 1 1 1 1 1 1 2200 2368 2735 2546 1 1 1 1 1 1 1 1 224.1735 *224.1858* 224.1858@8.552468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2006 1 1 1 1 1 1713 1 1 1 1 1895 2066 1 1 1 1 1 1 1338 1102 1 1 1 1 1 1 1 1 1 1 1 1 2306 2616 1 1 1 1 1 1 1 1 1048 1 5483 4580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.1858 *224.188* 224.188@8.459518 1 1 7754 8025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22667 20762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.188 *224.9807* 224.9807@0.77699924 1929 1 1 1735 1685 1 1 1 1 1533 1 1 1575 1935 1 1 1 1562 1 1 1 1 1775 1 1 1 1 1 1 1 1 1 1 1 1 2153 1 1 1 1 1 1613 1 1 1 1 3735 1 1 1 1 1 1740 1 1 1 1 1 1 1 1 2082 1 1 1 1740 1 1 1 1 1 1 1 1 1 1 1943 1 1 1 1655 1 1 1 1 1 1660 1 1 1852 224.9807 *225.0306* 225.0306@5.2656603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1529 1469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.0306 *225.0444* 225.0444@1.7945884 1 1 1 1 1 1 1 1 1 1 1 1561 1228 1 1 1 1 2122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2441 1 1 1 1 1 1 1 1 1588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.0444 *225.0578* 225.0578@1.7839701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.0578 *225.0666* 225.0666@1.49506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1074 1 1 1 1 1 1 1 1 1 1 225.0666 *225.0785* 225.0785@1.2467663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4297 4918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.0785 *225.0884* Acyclovir 2831 2782 4876 3327 1 2751 1 1 2815 2650 3091 2789 3181 3277 1 2246 2387 2520 5161 3074 1 1776 1669 1995 1432 1129 3843 3573 1 1 3158 2322 1 5485 1 2370 2718 2756 4010 4136 2664 2530 2365 2041 2341 3785 2410 2741 1 4441 2364 2958 2621 2910 1 2212 1661 1 2349 2361 2215 2115 1490 1 2155 2874 1 1856 2251 2460 1928 2413 1 2319 2490 2177 3235 3258 4678 3954 1884 1740 2277 1 2355 2127 1 2085 2209 2319 C06810 225.0884 *225.0887* 225.0887@1.2506217 1 1 1 1 2786 1 2368 1 1 1 1 1 1 1 1 1 1 1 1 1 2403 1 1 1 1 1 1 1 1 1 1 1 3274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2016 1 1 1 1 1 1 1 1 1940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1974 1 1 2242 1 1 1 225.0887 *225.093* 225.093@1.25353 1 1 1 1 1 1 1 2075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.093 *225.0974* 225.0974@1.5069492 1 1 1 1 1 1336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.0974 *225.0984* 225.0984@3.5152292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2927 4466 1 1 1 1 1 1 1 1 1 1 225.0984 *225.1105* 225.1105@1.0256289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3520 2817 1 1 1 1 1 1 1 1817 1 1 1 1 1838 1745 1243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2433 2700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.1105 *225.1174* 225.1174@2.0490615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1463 1 1 225.1174 *225.1187* 225.1187@2.1707478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2171 1 1 1 1 1 1 1 1 1 1 1 1 1 1359 1436 1 1 225.1187 *225.1192* 225.1192@2.2118173 1 1 1 1 1 1 1 1 1 1 1 1 1 2876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2960 1 1 1 1 1446 4862 1666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2347 1 1 1 1 1 1 1 1 1 1 1 1874 1065 1 1 1 1 1 1 1 1 1 1 1 1 3206 1129 1 1 225.1192 *225.12* 225.12@2.1940696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1753 1 1 225.12 *225.1204* 225.1204@3.3783157 1 1 1 1 1 1 1 1 1 1 1 1 1 1641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1104 1 1 1 1 1 1 1 1 225.1204 *225.1214* 225.1214@3.0071802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8125 7966 1 1 1 1 1 1 1 1 1 1 225.1214 *225.1332* 225.1332@4.6743326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2331 2216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.1332 *225.1685* 225.1685@13.685191 1 1 1 1 1 1 1 1 1 1 1389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.1685 *225.1725* 225.1725@13.688599 1122 1 1577 1444 1260 1 1062 1 1 1011 1 1 1 1 1 1 1 1 1062 1 1343 1 1235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.1725 *225.1728* C13 H23 N O2 8870 8662 13614 16030 8038 8375 8771 10877 8214 10632 22351 22411 9765 12629 8380 8754 7956 8098 11313 10637 5443 6479 10442 10144 9909 10704 19344 21915 8690 8639 8113 8733 8416 8310 13221 11206 21700 1 9551 9697 12996 13182 10276 10278 1406 1 7650 7372 6389 6497 8422 8174 7044 7280 12185 14593 7352 7106 8527 8800 8111 8285 9599 9487 10149 11167 8221 8616 8257 6908 9505 9160 10497 8375 6593 6789 7771 7377 9652 10992 9511 11226 11139 11871 6688 6758 8531 8718 8843 7463 225.1728 *225.9442* 225.9442@14.715733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1752 1 1 1 1 1 1 1 1 1382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1392 1 1 1 1 1102 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 2752 1 1 225.9442 *225.9449* 225.9449@0.81761223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37389 1 1 45887 1 1 1 88285 1 1 7422 1 1 1 1 9697 1 1 1 1 1 1 1 1 5421 1 1 37786 1 1 1 1 1 1 42346 4321 1 1 1 1 1 1 97045 1 1 1 1 1 1 1 1 1 4792 1 1 12245 7986 1 1 1 1 1 1 42709 1 1 1 1 1 37609 225.9449 *225.945* C4 H3 Cl N2 O5 S 140824 137368 93824 137160 137677 134801 141273 144336 137771 108305 141775 137653 140169 139680 145209 141043 143920 142229 97176 140103 99292 135358 135114 86373 136488 136101 130833 41812 138591 136913 126194 94708 132720 134923 126754 124291 129536 137117 134223 133654 135642 102129 137235 129719 130927 134719 139769 105595 130707 128775 136785 135847 133959 132625 100323 139040 136693 138352 133178 102990 140834 140579 41651 139990 131531 91951 131428 89910 103616 133753 88196 130797 128376 134540 129518 111453 94068 131279 98747 128381 134702 133323 132319 86270 125122 125619 127013 130041 139084 101477 225.945 *225.9477* 225.9477@0.791002 1 2686 1 1 3479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3214 1 1 1 1 1 1 1 1 1 1 1 1 4744 3463 1 1 1 1 1 1 1 1 1 4530 1 1 3716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3350 5700 1 1 1 3320 1 1 1 1 1 1 1 1 1 1 225.9477 *225.9585* 225.9585@0.78334004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3828 1 1 1 1 225.9585 *225.9687* 225.9687@0.77251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1094 1 1107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1674 1 1 1 1 1176 1 1 1 1 1 1 1 2073 1 1 1 1954 1117 1115 1 1 1 1 1 1 1 1 1 1 1 1 3873 1 1 1 1 1 225.9687 *226.0573* 226.0573@1.1780143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1270 2057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4417 2446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.0573 *226.059* 226.059@1.1299882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.059 *226.069* 226.069@0.812006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.069 *226.0713* 226.0713@0.81173563 1756 1 1 1512 1 1841 1 1311 1 1 1799 1 1 1 1 1 1 1463 1 1609 1592 1 1 1 1835 1 1 1 1 1 1 1 1 1 1590 1491 1 1 1 1 1 1 1 1 1264 1 1 1 1 1510 1 1 1 1 1 1 1 1 1 1 1 1 1004 1 1 1513 1 1 1160 1274 1 1614 1 1 1 1 1593 1 1 1 1 1 1 1 1 1 1 1 1 1 226.0713 *226.0731* C5 H14 N4 O4 S 3301 3252 5360 6140 5097 4750 7233 7342 6003 6466 11780 11752 17053 17102 6956 7233 5987 5842 6124 5950 4684 4926 6632 6365 1738 3909 3303 3163 6660 5958 5908 5794 6045 2936 4930 4961 2449 1906 6593 7091 11615 11009 4226 4292 4128 3913 4641 4448 3807 4119 5017 5088 15754 15958 4139 3871 5327 5820 6384 6218 4404 5168 4855 4799 14883 15832 3656 3444 7340 7412 3328 8202 16662 17813 10744 12196 9545 10361 8258 9318 5005 5389 4437 5038 5373 5771 12815 13105 4217 4202 226.0731 *226.0773* 226.0773@1.1965444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1269 1883 1 1 1 1 1 1 1 1 1 1 226.0773 *226.096* 226.096@3.317138 1 1 1 1 1 1697 1958 1907 1 1 1474 2186 1 1988 1735 1 1 1338 1 2090 1 1713 1926 1 1 1 1 1 1 1 1 1 1921 1824 1 1 1 1 1 1 1 1 1879 1 1239 1651 2486 2571 2012 1 1 1426 2621 2616 1 1 1 1 1 1 2291 1 1476 1878 1423 1 1673 1 1 2184 2064 2256 1550 1 1 1 2086 1 4463 3234 2105 1788 1 1356 2195 1 1 1 2457 2359 226.096 *226.0976* 226.0976@1.2470223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1182 1 1 1 1 1 1428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1910 2347 1 1 1 1 1 1 1 1 1 1 226.0976 *226.0981* 226.0981@3.3191788 1 1 1 1 1514 1 1 1 1 1 1 1 2195 1 1 1838 1 1 1740 1 1 1 1 1 1 1 1 1 1 1 1869 1987 1 1 1 1374 2485 3549 2249 1925 2438 3402 1 1 1 1 1 1 1 1737 1 1 1 1 1 1 1 1 2154 2039 1 1544 1 1 1 1 1 1694 1 1 1 1 1 1 1 1 1 2115 1 1326 1 1 1905 1 1 1461 1 1 1 1 226.0981 *226.1023* 226.1023@4.2750044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1819 1723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1023 *226.1082* 226.1082@1.2450314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1395 1719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1082 *226.1122* 226.1122@3.717105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1122 *226.1126* 226.1126@4.247966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1126 *226.1177* 226.1177@1.1094247 1 1 6691 1403 1 1 1 1 1 1363 1861 1 1 1 1 1 1002 1 1771 1789 1 1 1 1 1 1 1341 1 1 1 1620 1 1755 1946 1 1 1 1 1 1 1 1719 1219 1 1 1 1851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1177 *226.1182* 226.1182@3.7242074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1931 4256 4464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2138 2494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1182 *226.1183* 226.1183@3.0525382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9253 9233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1183 *226.1193* 226.1193@3.5397205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2194 1 1189 2110 1 1 1 1 1 1 1 1 2972 2100 1 1 1 1 1 1 1 1 1483 1398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1193 *226.1193* 226.1193@2.895063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1193 *226.1194* 226.1194@3.0042791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2221 2270 1 1 5278 9816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1194 *226.1197* 226.1197@4.478723 1 1 1 1 1 1 1 1 1495 1 1 1 1 1 1 1 1 1 1107 2217 1 1 1 1 1573 1115 1 1 1 1 1 1 3452 2459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2354 1989 1 1 1 1 3023 2479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1197 *226.1198* 226.1198@4.055519 1433 1447 1 1 1 1058 1 1 1 1 1 1 1 1 1 1 1 1 4083 4385 11152 10465 1 1 1274 1434 1 1 1 1 1 1 3206 2895 1 1 1 1 1 1 1 1175 1 1 1885 1536 1 1 5350 4581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2393 3119 2003 2509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1521 1 1277 1 1 1 226.1198 *226.1219* 226.1219@4.356615 1 1 1 1 1 1358 1 1 1 1842 2235 2218 1 1 1 1 1 1 1639 1372 1 1 1 1 1674 2135 1 1 1 1 1 1 1838 1994 1 1 1 1 1 1 1518 1851 1 1 1 1 1180 1395 1 1 1 1 2134 2296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5396 4980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1219 *226.1229* 226.1229@1.1169719 1 1047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1229 *226.1239* 226.1239@9.6531925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1239 *226.1241* 226.1241@3.989118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3429 1 1 1 1 226.1241 *226.1285* 226.1285@9.660295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1285 *226.129* C7 H14 N8 O 8695 9043 7466 7723 9920 9503 12415 11692 9232 9430 9921 9315 8277 9016 8613 8746 9693 9537 1 11836 9359 10200 9999 11129 6179 6413 7975 8715 8007 8284 11128 12436 9941 9192 10323 9849 1 14949 12011 10693 11264 11509 9573 9677 10908 1 13361 13249 9877 10181 9949 10084 13494 1 9518 9860 7546 8182 12639 11582 12633 11981 12604 12309 9637 9812 1 8100 10087 10726 11288 11728 8156 8396 8508 7305 9402 10673 10231 1 11659 11141 11256 11084 1 12983 9277 8910 13004 12930 226.129 *226.1327* 226.1327@4.025885 1 1 1 1 2952 2524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2332 1938 1 1 1 1 1039 1 1283 1 1 1 1 1 1572 1665 1 1 1 1 1 1 1 1 2008 1 1 1 1 1 226.1327 *226.1388* 226.1388@4.898615 1 1 1 1 1708 1778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1388 *226.1584* 226.1584@5.7487116 1 1 1665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1851 1 1533 1 1 1838 1431 1 1 1 1278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1584 *226.1652* 226.1652@6.423596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1652 *226.1662* C8 H18 N8 2145 5306 6380 2183 5335 2260 1 4237 1 2096 4076 2332 1 1 1 4881 2099 1 1 4213 1 1992 1 4559 2613 4916 1500 2408 3122 1952 1 1836 1 2631 5752 1656 2154 1138 4685 1950 2659 2496 5589 5398 1 1 2408 1 4594 1530 2040 1978 1087 1078 4529 1 1875 1797 1885 1 1 1 1 4702 2523 1180 5142 2543 1 1128 1 1988 2153 4939 4606 4225 2118 2269 1 1 2231 1 4738 5945 1 1 1 5368 2477 2164 226.1662 *226.1664* 226.1664@4.19023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1664 *226.1682* 226.1682@4.0984035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1624 1 1 1 1 1 89523 1 1 1 1 1 1 1 81990 81791 1 1 83368 1 1 1 89595 1 94208 86572 87698 81066 71845 74147 78851 78624 1 73627 79884 85701 89562 80485 1 1 1 1 1 1 1 1 1 1226 1 1 1 1 1 1 1 1 16317 16985 1 1 1 1 1 1 1 1 1 1 226.1682 *226.1695* 226.1695@5.92 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1695 *226.1699* 226.1699@7.355058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1699 *226.1875* 226.1875@11.993949 1 1 1271 1487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2291 1 1 1 1388 1 1 1 1 1 1 2743 1 1 1 1 1 1 1 1 2301 1 1 1 1 1645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1365 1 1 1 1 1 1 1 1 1 1 1 1 1 1407 226.1875 *226.2456* 226.2456@0.9694056 1 4448 6082 5698 2476 1 4157 5437 5020 5005 5886 5336 5567 5415 5635 5237 4433 4584 7610 8353 4535 3938 6610 6401 4031 4180 4435 3987 4748 4751 5103 4676 5786 5616 6409 7450 10185 10723 7143 7367 5967 5227 4791 4847 4815 4905 4510 5871 1 1 1 5120 7056 7743 1 4476 1 3303 6776 6866 7261 1 6225 7847 3910 3882 4933 1 6298 3753 7779 9329 1 1 1 1 5556 5289 3202 1 7547 7339 1 1 5777 1 1 4411 6358 6450 226.2456 *226.9474* 226.9474@0.8480114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1299 1 1 1 1 226.9474 *227.047* C6 H13 N O6 S 2610 2558 1998 1962 2210 2054 1962 1647 2424 2295 1381 1544 2441 2148 1296 1629 1241 1299 2047 1845 1644 1502 3612 3728 1893 2021 2268 2423 1737 1348 1 1 2277 2396 2093 2073 3205 2928 1692 1524 1994 2244 3681 3262 2053 2225 3016 1 1573 1740 2879 2670 2646 2515 1 1914 1 1 1470 1510 2666 2245 1 2405 2200 2672 2199 2705 1 2579 1266 1 1453 1597 1708 1472 2581 2293 1446 1225 2452 2140 1609 1443 1402 1393 2433 2342 2495 2216 227.047 *227.0512* 227.0512@0.895007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.0512 *227.0772* 227.0772@1.1870111 1 1 1 1 1 1 1077 1 1 1150 1 1 1 1040 1 1 1061 1572 1 1191 1049 1 1 1133 1 1 1 1 1 1 1140 1102 1 1162 1170 1257 1622 1915 1 1 1 1072 1 1 1256 1455 1782 1513 1 1246 1 1 1215 1350 1 1 1 1 1173 1322 1364 1186 1217 1 1 1 1 1 1 1 1422 1822 1 1 1 1 1342 1178 1 1 1341 1 1 1 1444 1070 1 1 1511 2021 227.0772 *227.0827* 227.0827@1.2447444 1 1 1 1 1 1 1 1109 1185 1147 2229 2312 2500 2093 1 1 1 1 1 1716 1 1 1 1 1 1 1 1 1 1 1 1 1129 1 3284 2667 1 1 3024 2537 4549 4447 1058 1 1 1 1538 1467 1 1015 1 1 2596 2685 1 1 1847 1713 1 1528 1496 1620 1 1 2242 2166 1 1 4004 4748 3082 2635 1076 1 1997 2123 1889 2074 1225 1276 1714 1568 1 1 2892 2435 1325 1241 1 1 227.0827 *227.0876* 227.0876@1.2490473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4017 6124 1 1 1 1 1 1 1 1 1 1 227.0876 *227.1157* 227.1157@3.4757843 1 1 1 1 1 1 1187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.1157 *227.1878* 227.1878@6.2110248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5197 4833 1991 2199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4303 3799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.1878 *227.1883* 227.1883@8.135626 1 10917 2130 1 1 1 1 7594 1 1 1 4189 1 1 1 4450 1 5744 1 1 1 15816 1 1 1 1 1 1 1542 1739 3031 7056 1 1 11080 7467 1 1 1 9107 20392 1 2474 14802 1 1 9114 6047 5914 1 1 1 2963 1 1 1 7386 18222 1 1 1 1 1 1 1 1 1729 1 1 1 1 1 8455 3359 1 1 2303 1 1 1 1 1974 10954 11206 1 1272 1 2053 1 1 227.1883 *227.1884* C13 H25 N O2 10209 1 1 93747 1 12155 1 1 1 23925 1 1 70375 69405 26832 9439 10168 1 1 1 1 20957 61703 61351 28804 55401 1 1 18005 12055 7302 14362 91186 86385 70396 100310 106979 1 76458 76071 1 98968 16208 86441 1 1 1 1 57879 8152 1 1 48927 56940 1 86794 11650 1 1 53299 22474 1 22714 47474 46751 1 59179 1 5141 45637 28060 53319 20797 14570 27612 1 6986 1 1 54934 55376 13645 1 73119 49941 23625 73919 68379 51117 1 227.1884 *227.1886* 227.1886@8.282332 1 1 1 1 1 13744 1 49296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20577 1 8147 1 1 1 1 1 1 1 1 17987 1 1 1 1 1 13233 39431 1 1 1 1 1 1 50435 1 14597 11815 36230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11277 1 1 1657 1 40919 1 1 11628 1 1 1 1 1 1 1 1 227.1886 *227.1887* 227.1887@8.0664015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1548 1 1 1 1 1 1 1 1444 11865 1 1 1 2607 1 1 1 1 1 1 1 1 1 1 1 3850 1 1 2244 1 1 1 1 1 1 1 1 1271 1 1450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6537 1 1 1 1 1 1 1 1 1 1 4543 227.1887 *227.1908* 227.1908@8.182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.1908 *227.225* C14 H29 N O + 12.095094 2354 2052 1937 1927 2230 2090 2233 2089 2037 1982 2452 1849 2142 1787 2023 2036 1983 2452 1992 2165 2363 2046 1927 2042 1566 2127 2019 1898 1838 2131 1563 1855 1682 1780 1882 2154 1723 1846 1810 1798 1819 1992 1755 1636 1953 2002 2010 1886 1815 1 1772 1715 2217 1863 1 1890 2021 1672 1481 1743 1768 1805 1645 1675 1922 1607 1408 1662 1407 1298 1725 1948 1579 1708 1647 1134 1614 1881 1876 1878 1711 1649 1655 1623 1808 1321 1414 1447 1563 1552 227.225 *227.2252* C14 H29 N O + 12.576045 1 2142 1840 1 1941 1556 1834 2122 1736 1550 1947 1620 1745 1985 2079 1657 2023 2046 1906 1757 1561 1780 1625 1767 1877 1632 1489 1764 1432 1618 1786 1696 1736 1 1811 1673 1749 1774 1416 1837 2042 1700 1431 1336 1305 1 1872 1655 1610 1580 1143 1373 1518 1430 1258 1654 1495 1689 1 1525 1280 1453 1612 1609 2071 1614 1435 1559 1386 1838 1588 1723 1397 1558 1736 1679 1552 1660 1269 1 1359 1515 1458 1324 1606 1448 1661 1416 1552 1509 227.2252 *227.226* C14 H29 N O 2444 2548 2660 2897 2756 2667 2070 2544 2963 2674 2750 2591 2608 2593 2659 2457 2637 2888 2293 2599 2735 2483 2129 2712 2421 2519 2529 2424 2701 2270 2460 2729 2970 2577 2397 2677 2365 2699 2473 2598 2709 2674 2467 2117 2486 2726 2427 2743 2680 2537 3137 2600 1 2958 2739 2513 2532 2769 2551 2539 2802 2602 2554 2708 2551 2760 2526 2472 2588 2699 2624 2784 2779 2416 2480 2202 2419 2190 2212 2129 2512 2708 2340 2255 2502 3077 2480 2603 2581 2308 227.226 *227.2612* n-Pentadecylamine 10204 9640 9702 9100 10119 1 10028 10969 11160 1 10517 9024 9989 10633 10533 11246 10172 10295 9994 11813 10271 9446 9976 10395 10595 10353 10489 11593 10298 9625 11056 9846 9973 10475 9810 9604 11549 1388 10790 10443 9884 1 9184 7856 1 7018 5660 6332 5801 6606 1 6740 6855 6600 6729 6042 4287 1 8084 1 6302 6358 6979 6823 1 6459 5754 6335 1 6716 6483 1 5995 6413 6281 7252 6221 5516 1 5737 5983 6467 1 5670 6786 6241 5838 6717 6279 5716 227.2612 *227.2617* 227.2617@9.67136 1 1 1 1 1 10976 1 1 1 10587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10382 1 1 1 11332 1 1889 9356 1 1 1 1 1 6686 1 1 1 1 1 2151 6545 1 7557 1 1 1 1 6648 1 1 1 5064 1 1 5436 1 1 1 1 1 1 5513 1 1 1 7018 1 1 1 1 1 1 1 227.2617 *227.9386* 227.9386@0.78428495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2659 1091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2697 1095 1 1 1 1 227.9386 *227.9493* 227.9493@0.81325424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1287 1 1 1 1 1 1 1 1 1068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1751 1 1 2489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.9493 *228.0422* C6 H16 N2 O S3 10767 11414 7701 7525 9122 8494 8258 9357 11121 11006 6414 6573 10878 10100 6556 6127 5675 5614 8161 8826 6067 6415 15663 15970 7634 8083 9167 10987 6040 5995 4419 4398 12562 11369 8427 8922 11622 13145 6880 6426 8959 9410 14954 15441 9643 9700 12801 12952 7862 1 11555 12004 10948 11677 7557 7911 6064 6010 5777 8616 11642 13388 9337 9254 11678 13173 11775 9223 11211 11401 4530 4659 6549 6331 5678 6508 9951 9026 4278 6493 12514 10479 6935 5297 5411 5406 9897 8927 10074 12872 228.0422 *228.0639* 228.0639@2.2050939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1789 1382 1 1 1 1 1 1 1 1 1 1 1 1 228.0639 *228.0877* 228.0877@4.673158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.0877 *228.0878* 228.0878@4.5851526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.0878 *228.0893* 228.0893@7.173361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.0893 *228.0931* 228.0931@4.5014057 1 1061 1 1 1 1 1 1 1 1 1170 1246 1 1 1 1 1 1 1336 1225 1447 1 1 1 1 1 1066 1 1 1 1 1 1606 1191 1294 1291 1 1 1341 1 1 1 1 1 1 1 1 1 1139 1179 1218 1239 1 1 1 1 1 1 1 1217 1 1 1 1 1 1 1618 1725 1 1 1 1 1 1 1 1 1 1 1 1 1390 1 1 1 1 1112 1 1 1 1 228.0931 *228.0974* 228.0974@3.2327018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2477 2040 1 1 1 1 1 1 1 1 1 1 228.0974 *228.1084* 228.1084@1.0890108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.1084 *228.1113* 3-O-Methyl-L-DOPA 1 2432 4105 4621 1727 1 6838 5430 2297 2510 8354 7653 1683 2142 2395 2011 4911 4333 3046 3113 2986 3161 1 1 1909 1538 8320 7226 1316 1705 3236 2405 3027 3111 1 1945 1 1 1 1 2057 1865 3959 3864 1 1 1 2417 2299 2345 1 1 1 1 1 1 1971 2691 1 1 2086 1 1 1 4602 3754 4442 4175 2551 2821 2528 2852 1854 2154 1 1 1 2222 2496 2423 1 1 1 1 1 1 7892 7566 2024 1701 228.1113 *228.1458* 228.1458@3.175231 1 1 1 1 1 1 1224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1249 1 1 1 1 1 228.1458 *228.1466* 228.1466@1.3496637 1 1 1614 1 1 1 1 1 1 1 1 1 1 1 1 1 1972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1604 1 1 1 1 1 1 1 1 1 1 1 228.1466 *228.1469* 228.1469@2.0678468 1 1 1 2616 1 1 1 1 1 1 1 1 1 1 1 1340 1 1 1 1 1 1 1 1 1323 1 1 1 1 1 1 1730 2670 1 1 1 1 1 1 1 1 1 1 1056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1443 1 1 1 1 228.1469 *228.147* Ile Pro 3628 1 6682 1 1 1 5196 1347 1 1122 1 1 1 4393 5101 1 1090 5588 11704 11462 1 8262 3986 3928 1 5243 1 1 1 1 1054 8984 2038 9969 1053 4579 1 7368 1231 6841 1 5902 1168 1 5006 5196 10547 9707 1 1 1 1 9494 1436 1 1 3201 1 1502 6725 11524 1280 1 9799 9507 1238 15337 1 7842 1214 1282 7520 6713 5373 1 6850 1203 7655 1 7153 7690 11342 8211 5934 5720 11380 1 1 6085 9234 228.147 *228.1471* 228.1471@1.727133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1524 1 1 1 1 228.1471 *228.1473* Leu Pro 17515 19672 28504 30728 19007 19306 29315 31214 23063 24057 36526 36725 15998 15136 22447 18379 23258 23087 42801 41182 31347 32378 14120 13077 20790 20368 46647 47272 17415 18352 29589 31205 33588 34476 19603 17981 28143 26775 19886 19344 18177 17076 20612 14908 18748 20247 33600 34217 26375 26157 15048 13099 30221 29895 10799 12465 25282 26160 20356 20823 42064 39743 38339 37102 32347 28911 54527 52213 27446 27828 31199 31962 20053 17501 25951 26658 26619 27028 21258 24181 29994 28676 18448 17935 33678 33623 38369 39097 31862 30591 228.1473 *228.1473* 1-L-Leucyl-L-Proline 1 4074 1036 6097 4066 4219 1037 7341 5104 5106 9764 9568 3724 1151 1 5323 6114 1040 1204 1370 8746 1 1391 1448 5909 1 13361 12684 4138 4849 7609 1122 9480 1214 6094 1157 7555 1997 5656 1223 6456 1398 5074 6112 1 1055 1363 1348 7475 6331 4316 3348 1352 8980 2483 3711 4333 8114 5885 1361 1166 12050 13036 1 1 9880 1 13283 1684 9603 9210 1488 1 1 7008 1062 7942 1 6804 1 1051 1287 1 1 5624 1147 14066 13776 1413 1512 228.1473 *228.1474* 228.1474@1.6119492 1 1 1 5273 3254 3382 1 1 5344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3745 1 1 1 2281 1 1 2480 4229 1 1 4755 1 1 3482 1 1 1 4012 3116 1 1 1 1 1 1 1 1 1 1 1 3050 2627 1 1 3510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4809 1 5889 1 1 1 4382 228.1474 *228.1478* 228.1478@1.683534 1 1 1 2319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3131 1 1 1 1 1 1 1 1 1 1 1 1 1 1548 1 1 1 1 1 1 1 1 1 1 1689 1 1 2146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1781 1 1 1 1 228.1478 *228.148* 228.148@2.3527675 1 1 1 1 1 1 1 1 1 1 1 1 1 1495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1140 1 1 1 1 228.148 *228.1827* 228.1827@5.3547487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1907 2017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.1827 *228.1899* 228.1899@8.249954 2947 1 1 6276 3932 2785 1 1220 1 1 1 1 2806 2310 3776 1 4219 3071 2055 2453 1971 1 4754 1 1 1 1 5614 1 1 1 1 1 1 1 1 1233 1232 1608 1 4053 2030 1 1 2567 4690 1 4675 1 3438 1 1 1 1 1 1 1 6200 1 1 2123 5606 1 1 1 1 1 2426 1 1 1 1 1 1 1 2111 1 1 1 1781 1836 1145 1480 1 1 1 1001 1 1 1 228.1899 *228.1911* 228.1911@8.225255 1 1 1 1 1 1065 1 1 1 1 1 1 1 1 1 1 1 1 2422 1 1 1 1 1 1 1 1 6123 1 1 1 1 1 1 1 1 1 2508 1 1 1 1551 1 1 1 1 1 1 1 3472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.1911 *228.1915* 228.1915@8.236524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.1915 *228.2159* 228.2159@4.5291595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19697 21000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.2159 *228.2679* 228.2679@4.5286593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6320 6361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.2679 *229.0774* 229.0774@3.4032142 1 1 6666 6371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41839 43272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1858 1891 1 1 1 1 1 1 1 1 229.0774 *229.0778* 229.0778@3.7656553 1 1 4081 4121 1 1 1 1 1 1 1 1 1 1 1 1 3151 3164 1 1 1334 1598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1268 1 1 4272 4819 1 1 1 1 1 1 1 1 1 1 1 1557 1 1 1 1 1 1 1 1 2287 2315 1 1 1 1 1 1 2144 1348 229.0778 *229.0778* 229.0778@5.158938 1 1 26896 27346 1 1 1 1 2594 2292 1 1 3381 3552 1 1 5180 4961 1 1 10365 10548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4418 5285 1 1 1 1 1900 1618 1 1 1 1 15688 15676 1 1 22089 22513 1 1 1 1 1 1 1 1 1 1 2358 2067 1 1 5222 5774 1 1 1 1 31277 28562 1 1 1 1 1 1 9395 9393 229.0778 *229.079* 229.079@3.964841 1 1 1375 1305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.079 *229.0902* C17 H11 N 2114 2421 1510 1279 2172 2751 1 1716 1646 1756 1809 2184 2270 2261 1524 1302 2021 2212 2753 2746 1 1 1 1 1 1 1346 1 1 1700 1 1 1 1 1 1930 1 1 1771 2012 3023 2786 2319 2832 1557 1623 3317 3672 1676 1592 1 1 1 1 1 1 1 1 1 1 1589 1925 1 1 1433 1379 1 1 1 1 1 1 1 1 1370 1643 1 1 1306 1222 1 1 1 1 1 1 1559 1909 1 1 229.0902 *229.0924* 229.0924@1.0100274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1400 1 1 1 1 1 1 1 1 1 1 1 1 229.0924 *229.1027* 229.1027@1.2630478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1653 1 1 1 1 1 1 1 1 1 1 229.1027 *229.1305* 229.1305@1.2505293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4097 1 1 1 3113 3601 1 1 1 1 1 1 229.1305 *229.1312* 229.1312@3.1988678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1044 1197 1 1 1018 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.1312 *229.1337* 229.1337@14.3192425 1 1 1435 1 1 1 1 1 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1301 1 1 1 1 1 1 1 1 1 1 1 1158 1 1 1 1 1 1 1 1 1 1 1 1 2167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.1337 *229.134* 229.134@12.966403 1 1 1113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1378 1 1 1 1 1 1 1 1 1 1 229.134 *229.1344* 229.1344@12.421422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1113 1 1 1 1 1 1 1 1 1 1 229.1344 *229.1385* 229.1385@1.2499317 2408 1 1 1 1 1 1 1 1 1 1 1 3397 2130 1 3687 1 1 1 1 1 1 1 2451 1 1 1 1 1 1 1 1 1 1 1 2305 1 1 2841 3195 2911 3078 1 2570 1 1 1 1 1 1 1 1880 1 1 1686 1518 1 1 4154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.1385 *229.1599* 229.1599@9.339522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1098 1 1 1 1 1 1019 1245 1 1 229.1599 *229.1612* 229.1612@6.75036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.1612 *229.1654* C8 H19 N7 O 1 1922 1 1935 2903 2706 2378 2097 1 1 1623 1233 1 2448 2705 1 2376 2088 2672 3037 2989 2457 1 2946 1 2939 1 2131 1295 1620 1 1 2142 2148 1 1 2261 2086 1 1266 1 1 1 1591 1 1581 1 1 2580 1820 1 1 1 1 2213 1 3712 1 1 1 1236 1761 1 1 1 1 1 1 1393 1615 1 1 1 1 1 1 1 1 1312 1411 1 1686 1 1 1 1 1 1 1 1 229.1654 *229.1664* 229.1664@6.7471256 4519 4135 5704 6172 3314 3527 3348 3816 3210 3008 11897 12255 3625 3502 3589 3253 3334 3053 4539 5098 1556 2745 3963 3413 4746 5122 13984 14006 2220 3241 1361 1389 2705 1348 3544 4404 12311 11992 3874 4012 5668 5504 3434 3045 24776 24310 1708 2360 2376 2589 2592 2353 2740 1794 6158 5895 2806 1 2794 1889 2356 1829 3407 3991 4133 2091 2829 3288 1617 2587 3694 3867 2079 3186 2889 2157 3215 3180 4226 4146 5664 6327 5007 5581 2513 2616 2855 3019 2963 2687 229.1664 *229.1715* 229.1715@2.2540462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.1715 *229.1766* 229.1766@2.420797 1 3169 3234 1923 1 1 1 1376 3055 1 1222 1 1 2437 1 1 3194 1 1 1 1324 4004 1 1 4917 1 1 1 1 1 1 1 1684 5963 10483 1 2923 1 1 1 1347 1 1 1843 3478 3237 1 1 2461 1 11416 1 10235 2101 4169 1 1153 1 1786 1 1 6582 12718 2173 1 1 1258 8925 2659 1 1488 1957 6221 1 1198 1 4759 1 1 1 1345 2319 2655 7482 1 1627 7015 8451 1 1 229.1766 *229.1768* 229.1768@2.3190546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.1768 *229.1773* 229.1773@2.393378 1 1 1 1 1 1 1 1536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2131 1 1 1 1 1 1 1803 1 1 1 1 1 1 1 1 1 1515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2468 1 1 1 1293 1 1 1 1 229.1773 *229.1776* 229.1776@2.4043913 4607 3982 1 2902 1 4213 4293 1082 1 1 5502 1 1 1962 5825 6811 1 1 1 7743 2235 1 1 1 6299 9991 1 3812 1 3279 7616 8233 10082 5051 1934 7144 2961 10187 5434 7143 3221 12692 8363 3388 1441 4498 5140 4291 3170 2308 7779 1 6826 1727 3912 5900 2064 1 5597 5215 1 1 10928 9264 1 4275 1 1647 1076 7336 1798 3866 3040 5035 1686 2096 2797 6460 7597 7398 3304 3316 3892 5097 6613 2570 2102 1 8100 7412 229.1776 *229.1781* 229.1781@2.4964976 1 1 1 1319 1 1 1 1579 1 1 1 1 1 1 1 1 1 1 1 1 2553 1840 1 1 1 1 1 1 1 1 1 1 1 15867 1 1 8094 1 1 1 11760 1 10788 8904 1 1 1 1 1 1 1 1 1 9292 1673 1 1 1 1 1 1 1 1 10716 1 1 1 1 1 1 8984 1 1 1 1 1 1 1 1 1 1223 4361 10670 1 1 10702 1 1 1 1 229.1781 *229.2025* 229.2025@4.696283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1086 1 1 1 1 1 1 1 1 1 1 229.2025 *229.2402* 229.2402@9.729525 1 1 1 1 1 1 1 3998 1 1 1 1 1 1 1614 1 1 1 1 1 1066 1 1 1 1 1 1 1 1 1 1 1 2596 1 1 1 1 1 1 1 1 1063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2961 1 1 2177 1 1 2431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.2402 *229.2407* C14 H31 N O 20234 20737 21120 20444 19666 21096 21918 16521 21150 20206 22907 20323 20157 1 18868 19637 19090 19377 19272 1 20156 1 21062 22419 1 19210 19158 1 20053 19102 1 19700 18225 1 19533 20051 19669 1 20995 1 1 20153 20230 1 1 17158 16966 17276 17089 17620 19227 19132 18608 1 16430 18010 8759 18001 18359 1 17356 1 16265 1 1 1 17638 17915 18543 18499 17741 17984 16780 18705 17037 1 16947 16061 23375 1 1 1 1 18448 16491 1 15900 16754 1 1 229.2407 *229.2408* 229.2408@9.633953 1 1 1 1 1 1 1 1 1 1 1 1 1 20330 1 1 1 1 1 21288 1 20732 1 1 20134 1 1 20780 1 1 19304 1 1 19243 1 1 1 19265 1 20081 21720 1 1 17987 17962 1 1 1 1 1 1 1 1 16941 1 1 5067 1 1 15713 1 17007 1 19240 19556 17522 1 1 1 1 1 1 1 1 1 16884 1 1 1 23442 16721 16238 16315 1 1 17031 1 1 18128 17294 229.2408 *229.9315* C5 H7 Cl O2 S3 35493 48399 34572 7550 48881 48409 33886 36100 32999 34924 48288 35583 36352 48279 36097 50159 35848 34519 35647 33493 33286 47195 29088 46811 47261 48212 46901 32109 49116 48267 2962 33800 35608 34896 34310 34194 1 7489 33468 6900 33739 35229 32409 45901 32566 27188 48320 35391 46882 34613 49525 35786 47778 47383 34787 35624 20888 35147 33314 48335 47908 34923 32955 49578 33377 33396 33520 33800 46682 32151 45597 31566 33435 33893 46382 45319 46129 32486 31665 32549 32642 45792 35398 45705 26800 33003 32064 31532 47499 48351 229.9315 *229.9315* 229.9315@0.84167427 1 1 1 25401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32163 1 1 1 1 1 5590 28508 1 25686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.9315 *229.9631* 229.9631@0.77601033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1035 1 1 1 1 229.9631 *230.036* 230.036@0.9360309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1456 1 1 1 1 1 1 1 1 1 1 1 230.036 *230.039* 230.039@1.2459651 1 1 1 1 1 1 1 1 1 2152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.039 *230.0426* 230.0426@1.2472222 3334 3296 2065 2138 1668 1722 1 1 2437 1 1449 3030 3143 4849 1 1 1 1 1 1 2665 2929 1 1 1 1 3203 2914 1 1 1 1 1638 1576 1 1 1 1 3846 3844 1720 1775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0426 *230.052* 230.052@0.90050095 1 1 1 1 1 1 1 1 1890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.052 *230.0564* 230.0564@0.8979321 1417 1 1 1 1246 1677 1 1 1 1318 1 1 1 1321 1 1 1 1 1091 1 1201 1614 2260 2639 1 1 1 1 1 1 1 1 1 1174 1249 1 1679 1569 1 1 1 1 2373 1766 1 1 1815 1834 1 1 1109 1098 1210 1105 1 1 1 1 1 1 1308 1133 1080 1421 1256 1317 1 1 1 1 1 1 1 1 1 1 1 1028 1 1 1 1 1 1 1 1 1 1 2220 1 230.0564 *230.075* 230.075@3.2406042 1 1 2104 1 2708 1 1 1 1 1 1 2151 3322 3663 1992 1 1821 2051 1213 1 1 1 1923 1 1 1 1 1 1 1017 2218 1 2203 1645 1 1 1 3183 1842 2118 1756 2155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2091 2157 2209 1 1 1 1626 1 1 1449 2399 1 1540 1268 5093 1091 2239 1 1936 1 1 1 1 1 1 1 1 1 1564 1 1 1 230.075 *230.0768* 230.0768@2.2715557 1 1 1 1 2407 1 1 1 1 1400 7670 1 1 1 1695 1 1 3402 1 1 1 1 1 9714 1 1 1 1 1 1 1 2025 24309 21187 8355 1 1 1 10553 1 1 1 4682 4971 1 1 11426 1578 1 5196 13343 1 1 15591 1 1 1326 1 1 1 10895 12862 4525 1 1 1 9180 1 3088 1 1 4607 13582 15842 1 1 1 1 5015 1 11893 9564 1 1 5284 1 1 47542 1 1 230.0768 *230.0768* 230.0768@3.343642 1 1 3289 1 1 1 1 1 1 1 1 1 1 1 2196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1958 1 1 1 1 1 1 1 1769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2506 1 1 5220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0768 *230.0771* C14 H14 O S 1663 1 6357 5858 3013 5260 11686 12178 2604 2450 6485 12687 21595 21033 1465 2832 4598 1640 9922 9298 3937 1048 10275 1844 15111 13734 3604 4063 6116 6127 3709 1347 4380 1 5708 16623 18649 18860 21817 28849 21054 22745 1 1 1 1 6448 13532 9985 5644 4550 14206 15179 1540 8891 8391 5308 8551 2252 2705 13795 10939 1961 6720 1 1 7920 17236 1 5577 6990 2970 21244 17938 5525 5495 7116 9801 1 5467 1953 2194 21506 22655 2652 5288 46642 13512 8800 6128 230.0771 *230.0773* 230.0773@2.9706662 1 1 1 1 1 1 1 1 1 1 1 1 1 3990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3629 3413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0773 *230.0776* 230.0776@2.0545368 1 1 1 1 1 1 1898 1 1 1 5937 5464 1 1 1 1 1 1 1 1 3652 1974 4034 1963 7853 7331 1 1 1 1 1 1 5352 10890 9163 2229 9048 9285 8136 8794 6313 1 1 1 1 1 5040 1 1 1 1989 1 7069 4139 1 2533 1518 2547 1 1 1 1 1 1 1 1 4327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3664 11218 5843 1 1 22384 7033 4758 3960 230.0776 *230.0934* 230.0934@1.1580029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1062 1 1 1 1 1 1 1 1 1 1162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0934 *230.0949* 230.0949@8.399776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32455 33375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1205 1788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0949 *230.0958* 230.0958@3.6345463 1 1 1655 1903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 1117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0958 *230.1014* 230.1014@1.2419925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.1014 *230.113* 230.113@3.7711856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1408 1738 230.113 *230.1159* 230.1159@3.8561924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2077 2455 230.1159 *230.1356* 230.1356@1.2655482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4835 4638 1 1 1 1 1 1 1 1 1 1 230.1356 *230.138* 230.138@0.9463265 1 1 1172 1318 1 1 1 1 1 1 1 1199 1 1 1 1 1 1036 1353 1 1 1 1 1 1 1 1251 1 1 1 1 1 1 1 1 1 1361 1478 1672 1251 1 1143 1015 1186 1 1 1 1 1 1 1 1 1031 1 1 1 1 1 1 1 1912 1129 1 1 1 1 1 1 1 1230 1 1060 1 1 1 1 1282 1345 3928 3204 1 1 1495 1066 1 1 1078 1 1 1 230.138 *230.1414* 230.1414@6.130227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2016 2134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.1414 *230.1473* 230.1473@0.947967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.1473 *230.1522* 230.1522@1.2300049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.1522 *230.1528* 230.1528@10.028557 1 1100 1 1 1 1 1024 1 1 1 1 1 1 1 1 1186 1 1 1 1 1 1 1 1229 1379 1103 1 1 1076 1 1 1 1167 1 1266 1 1 1 1 1 1 1 1138 1 1 1 1 1 1 1 1182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.1528 *230.1532* 230.1532@10.025385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.1532 *230.1624* 230.1624@1.2161087 1 1 1 1 1 1 1 1 1 1 1971 1941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1382 1085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2616 2411 1 1 1 1013 1 1 1 1 1 1 1 1 1 1 1 1 1500 1285 1 1 1 1 1 1 6137 5890 1 1 230.1624 *230.1637* 230.1637@3.2597988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1701 1424 1 1025 1045 1084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1096 1 1 1 1 1 1024 1 1 1 1 230.1637 *230.9402* 230.9402@0.81298155 1 1 1 1 1 1 1590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.9402 *231.0208* 231.0208@3.207507 1 1 1 1 1 1 3307 3765 1 1 1 1 3879 3522 1 1 6918 7743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12266 11573 1 1 1 1 1 1 1 1 5107 5122 1 1 1 1 1 1 1 1 1 1 9801 9559 231.0208 *231.0688* Sulfacetamide 1441 1621 1631 1 1336 1664 1 1466 1630 1114 1585 1228 1 1 1139 1 1348 1315 1 1540 1581 1141 1 1314 1449 1282 1229 1 1228 1 1 1 1 1279 1 1162 1 1 1310 1 1392 1 1529 1132 1 1 1162 1257 1 1159 1230 1 1 1198 1 1098 1 1124 1 1117 1 1 1440 1 1 1 1 1047 1003 1 1 1134 1 1 1 1186 1 1 1 1 1 1 1 1049 1243 1 1068 1 1 1180 C08051 231.0688 *231.0811* 231.0811@2.2369914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.0811 *231.0911* 231.0911@3.9422443 1 1 1 1 3096 2640 1 1 1 1 1 1 1447 1714 1 1 1 1 1 1 1 1 1 1 1051 1240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1519 1475 1 1 1 1 1 1 1052 1248 1 1 1 1 1 1 1 1 1 1 231.0911 *231.1226* Gly Val Gly 1 1667 1298 1 1 1 2218 1933 2462 2511 1377 1140 2374 2328 2047 1267 2039 2193 1929 2019 1 2070 3051 2700 1405 1173 1709 1491 2178 2426 1773 1561 1623 1456 1 1521 3405 3002 1690 1678 2867 2468 2239 2333 2554 2649 2675 2579 3025 2674 2455 2661 2580 3006 2007 2008 1766 1568 2407 2375 2193 2281 1268 1 1387 1494 1518 1115 2416 2057 2419 1938 2027 1919 1 1669 1659 2098 1 1824 2321 1805 2529 2707 3080 2033 1 1779 2831 2401 231.1226 *231.1259* 231.1259@1.2515473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2724 2702 1 1 1 1 1 1 1 1 1 1 231.1259 *231.1283* 231.1283@8.170914 1 1 1 1786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.1283 *231.1469* C11 H21 N O4 + 3.7027314 4543 3905 5538 5574 5444 4895 7850 6734 3664 4025 9433 8943 6805 6001 6211 6257 9679 9660 8394 9033 3393 3195 11263 11139 2868 2807 8362 8869 3709 3494 8826 8929 12861 12051 2583 2041 5303 4791 4046 4292 3012 2940 11938 11430 4172 4382 8509 7947 6824 7678 9221 9333 13457 11463 4704 5465 3639 3860 6498 6588 10264 9464 5902 5586 11110 11046 7485 7696 6670 6692 4537 4333 10687 10460 4221 4143 4372 4418 6196 5376 2975 3385 8117 7817 4297 4821 11566 11453 4386 4757 231.1469 *231.1471* C11 H21 N O4 21264 20067 28975 29119 44353 46093 40230 40622 25799 27491 31132 32234 20838 20208 18538 18969 25041 23931 23868 23588 19288 19422 23203 21310 21385 20077 39710 40282 17375 16461 26080 27530 28715 28633 12410 12633 33711 32784 13868 12922 19120 18690 31387 29894 17783 18888 33345 33261 19861 19224 16766 16486 28431 28078 61233 63158 24332 23688 15854 16698 57364 58542 21441 21227 22836 22165 26012 24896 26561 27280 24007 23318 61475 64377 17295 16630 33458 33515 26353 26705 14142 14117 31099 31747 25715 27022 65095 64587 13177 14447 231.1471 *231.1502* 231.1502@1.0030351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1206 1890 1 1 1 1 1 1 1 1 1 1 231.1502 *231.1585* Citrulline n-butyl ester 2000 2202 1 1032 1 1 2199 2262 1 1499 1150 1260 1659 1524 1698 1553 1390 1327 1881 1889 1 1163 2517 2319 1473 1265 1228 1 1 1 1 1 1509 1710 1485 1 2040 1764 1965 2012 2345 2577 2583 2040 1134 1472 2542 2848 2400 2428 2097 2089 2771 3152 2574 1 2100 2238 2821 2419 3316 3033 1796 1995 1205 1400 1501 1439 1382 1529 1948 2100 2280 2128 1781 1444 1634 1784 1532 1202 1647 1533 1666 1997 1767 1893 1 1 2412 2242 231.1585 *231.1619* 231.1619@4.8524675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3005 3424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.1619 *231.1627* 231.1627@5.8109684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1184 1251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.1627 *231.181* 231.181@6.9383497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3400 3136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4103 4290 1 2538 1 1 1 1 1 1 1 1 231.181 *231.2197* 231.2197@6.2727904 1 1 1 1 1849 1761 1137 1 1 1 1 1 1623 1866 1122 1 1 1 4205 4352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1223 1373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1932 2094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.2197 *231.9114* 231.9114@0.854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.9114 *231.9175* C3 H4 O6 S3 13183 1 12643 12861 1 1 14414 13758 18412 13963 1 13124 10445 1 13474 1 13891 13428 13496 1 10157 1 10888 1 1 1 1 12818 1 1 12466 17891 12613 12775 1 12254 13517 14804 13359 13873 13200 13272 13389 1 13876 11793 1 13324 1 13612 1 13310 1 1 13043 1 8740 13175 12705 1 1 13542 13349 1 13418 12960 12363 12307 1 12829 1 12858 12238 13125 1 1 1 12613 13362 13198 12916 1 15500 1 12805 12962 12656 12941 1 1 231.9175 *231.9805* C14 O4 1 5065 1 1 5050 1 1 4958 5001 1 4796 4133 1 1 4853 5311 4749 4146 1 5008 1 1 1 5129 1 4662 4563 4912 1 1 1 1 5317 5193 4957 5321 5250 5075 1 4479 4799 3804 5332 5167 4861 4389 4629 1 4133 5415 4823 1 5016 1 1 4316 4996 1 5456 1 4880 1 5457 5280 1 5065 1 1 1 4105 1 1 4107 4217 5136 1 1 1 1 4802 1 5152 1 4995 5205 5435 4501 4442 5079 1 231.9805 *232.0287* 232.0287@0.88601446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1304 1 1 232.0287 *232.0508* 232.0508@0.9140024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0508 *232.0549* C16 H8 O2 6376 5801 3558 3868 3597 3799 5067 4976 3974 3394 3356 3201 3547 3402 2925 2961 3706 4114 4284 4757 4074 4570 4275 3606 3457 3518 3273 3044 1 3574 5763 5958 3154 2877 4505 4953 5926 6165 5001 4673 4264 3939 2984 3047 4498 4763 5067 5322 4376 4343 4188 3297 5161 4754 3485 3631 4338 5140 6045 7017 4576 3482 4609 4539 5132 5205 2545 2635 3170 2848 5310 5203 4030 3778 2603 3332 3486 3364 3893 5606 3467 3585 4679 4087 4641 4962 1 1939 6204 6145 232.0549 *232.0575* 232.0575@1.047501 1 1 1 1 1 1 1 1 1 1 1 1 1554 1 1 1 1 1 1 1 1 1 1 1 1 1 1750 1723 1 1 1 1 1 1 1 1 1 1 1989 1888 1 1 1 1 1302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0575 *232.0617* 232.0617@3.8663595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0617 *232.0712* 232.0712@6.3708963 1 1 1 1 1 1 14344 1 1 1 1594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0712 *232.0773* 232.0773@3.4588006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0773 *232.0784* 232.0784@0.8279805 1 1 1 1 1000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0784 *232.0827* 232.0827@3.2451787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5150 1 1 1 1 1 1 1 1 1 1 232.0827 *232.0868* 232.0868@6.1688137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6044 6076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0868 *232.1058* N2-Succinyl-L-ornithine 3155 3347 2205 2380 1091 1 1 1 6952 7544 4197 3533 5833 6526 2594 1694 14212 1 1 1 2596 2460 5093 4169 1 1 5341 5023 1825 2010 2448 2405 1 9770 2545 2097 3625 5475 6898 6017 9291 10148 12481 1 10534 1 4460 5623 4868 5326 2421 2693 5000 3665 1531 1090 1767 1799 3144 3623 3283 2668 2879 1604 3278 2136 2093 1990 4030 3145 3241 5302 1913 1941 1966 2479 2591 2440 5316 3710 4094 3684 4193 3592 4165 5411 2497 2813 3287 3717 HMDB01199 C03415 232.1058 *232.1118* 232.1118@1.2274842 1 1 1 1 1 1 1 1 1 1037 1 1 1237 1 1 1146 1 1 1 1622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1319 1 1 1 1 1 1 232.1118 *232.1145* 232.1145@4.9739285 1 1 1 1 1 1 1 1749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1278 1 1 1 1 1 1 1 1 1 1 1397 1 1 1 1 1 1 2043 1303 1 1 1 1 1 1 1 1 1 1435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.1145 *232.116* 232.116@1.1526177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4165 2049 1 1 1 1 1 1277 1 1 1 1 232.116 *232.1398* 232.1398@1.092485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1267 1 1 1 1 1 1 1 1 1 1986 1954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1539 1 1 1 1 1 1 1 1 1 1 1 1881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1299 1 1 2710 2928 1 2756 1 1 1 1 1 1 1 1 232.1398 *232.1413* 232.1413@1.0438482 1 1 1 1 1 1 1184 1220 1 1 1 1 1 1 1 1 1 1157 1 1 1 1 1678 1924 1 1 1 1 1 1 1 1 1 1 1 1 2754 3447 1 1 1 1 1 1 1 1 2904 2368 1 1626 1 1 1 1 1 1 1 1 1 1 1 1680 1 1 1 1 1 1 1 1 1 1 1 1 1035 1 1 1 1 1 2841 1 1 1 1 1 1 1 1 1 232.1413 *232.1433* Ethylenediamine-N,N'-di-a-butyric acid 1319 3612 1 2894 3807 1096 5352 5324 1 5713 1845 2304 3359 3628 1 4016 4194 3740 3939 3813 3335 3817 4636 4889 1958 2163 2774 2828 1 1 6777 6294 3391 3839 3983 1 6325 8250 2198 1813 4180 4159 1 1 1540 2592 7018 7137 2495 2579 1 4833 5129 6165 4284 5393 2564 1 7544 7447 4547 4259 5001 4944 1 3751 1808 1 4088 3763 6552 4989 3712 3136 4092 3073 4429 4413 3738 3826 5988 4563 1 3468 6306 6411 2598 2359 8393 8797 232.1433 *232.1575* 232.1575@6.776475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13310 14277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.1575 *232.166* 232.166@7.177252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2243 2161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1943 1 1 1 1 1 1 1 1 232.166 *232.1668* 232.1668@8.789269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1913 1 1 1 1 1570 1 1 1 1 1 1 1 1 1 1 1 1 1783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.1668 *233.0681* 233.0681@2.966622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14208 13624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.0681 *233.079* 233.079@3.5982943 1 1 1 1 4948 5873 2865 3268 1 1 1 1 1 4446 1 1 6136 6806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6539 7065 1 1 1 1 1 1 1 1 6066 6545 1 1 1 1 1 1 1 1 1 1 2920 1 233.079 *233.0794* 233.0794@3.6012695 1 1 1 1 1 1 1 1 1 1 1 1 4677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1349 1389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6052 1 233.0794 *233.083* 233.083@1.0878223 1 1 1 1 1 1 1 1 1 1 1 2697 1 1 1 1 1 1 1 1 1299 1 1155 1 1 1 1 1885 1 1 1 1 1 1 1270 1766 1 2055 1 1 1 1006 1 1 1 1 1505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1224 1042 233.083 *233.0943* 233.0943@0.8815296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2398 1614 1 1 1 1 1 1 1 1 1 1 233.0943 *233.118* 233.118@1.2430335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1609 1 1 1 1 1 1 1 1 1 1 1411 1 1 1 1 1 1 1549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.118 *233.122* 233.122@1.2392405 1 1 1 1 1 1086 1241 1 1 1 1 1 1 1 1 1 1 1 1 1 1911 1995 1242 1 1 1 1829 1905 1 1 1 1 1 1 1 1540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.122 *233.1261* 233.1261@4.2616386 1 1720 1 1 3477 2001 1 1 1 1 1 1 1 1 1 1 4600 4070 1 1 1621 1 1 1 1 1 1578 1793 1 1 1 1 1 1 1 1 1 1 2889 1549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1844 1 5447 6150 1 1 1 1 1 1 1 1 1366 1 1 1 1 1 1 1261 1 1 1 1 1 1 5394 5969 233.1261 *233.1269* 233.1269@5.5645375 1 3658 1 1 1 1 1 1 1 1 3547 4041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.1269 *233.1288* 233.1288@0.9040316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1645 1 1 1 1 1 1 1 1 1 1 233.1288 *233.1393* 233.1393@0.9039854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1056 1 1 1048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.1393 *233.1423* Methylphenidate 1688 1818 1211 1 1 1 1 1 1 1 1 1 1422 1394 1 1 1 1 1588 1645 1 1 1652 1908 1 1 1274 1 1 1 1 1 1586 1315 1655 1492 2223 1 1830 1747 1725 1583 1584 1 1 1 1 1 1 1346 1 1 1522 1 1 1 1 1 1 1 1597 1421 2827 2320 1524 1990 1 1 1696 1972 1 1408 1 1 1 1192 1293 1 1 1 1 1580 1 1 1 1 1 1512 1 1 C07196 233.1423 *233.1732* 233.1732@8.26529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.1732 *233.1764* 233.1764@8.263975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1028 1 1 1 1027 1 1 1 1 1 1 1 1 1091 1 1 1 1 1053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1022 1 1 1 1 1 1 1 1 1 233.1764 *233.8882* C6 Cl2 N2 S2 3628 3241 1 1 3315 3686 3541 3726 3817 3482 3739 3289 3258 3431 3338 3326 3287 3719 5122 3763 3314 3093 3238 3115 3144 3453 3421 3762 3251 3172 3541 3552 3063 1 3287 3374 1 3689 2922 2954 3897 1 1 3138 3342 3366 3545 3920 3541 3468 3140 3143 3487 3278 3087 3590 3536 3357 3229 3494 3018 2943 3256 3331 3734 3420 3284 3041 3589 3534 2827 3154 2979 3661 3206 1 3334 3292 3412 3264 2906 3324 3535 3296 3544 3389 3495 3012 3331 3003 233.8882 *233.9514* 233.9514@0.8006546 1 1 1645 1 1 1 1 1 1625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2217 1 1 1 1 1910 1 1 1 1 1 1732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1402 1 1 1 1 1577 1 2062 1909 1754 1452 1 1 1 1 1 1 1587 1 1 1 1 1 4644 2260 1 1 1 1 233.9514 *233.9517* 233.9517@0.79900604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.9517 *233.9533* 233.9533@0.80147904 1335 1 1 1 1 1472 1 1 1 1 1 1286 1 1 1 1 1 1 1 1 5447 1 1 1 1191 1 1 1 1 1 1 1 1 1730 1 1662 1 1678 1570 1 2502 1397 1 1 1 1 1 1 1 1 1 1 1270 1 1 1 1 1 1 1 4474 1 1196 1459 1 1 1 1546 1 1 1 1 1 1 1578 1 1565 1636 1 1 1319 1 1 1365 1 1 1 1 1 1 233.9533 *233.9615* 233.9615@0.8010135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5929 1 1 1 1 1 1 1 233.9615 *233.9688* 233.9688@0.7999878 1 1 1 1 1 1 1 1 1 1 1 1 1001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.9688 *234.0502* 234.0502@0.84590703 7675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9054 7404 7727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5880 1 1 5968 5651 6908 6825 1 1 1 1 1 1 6189 5161 7724 7873 7080 1 1 1 1 1 1 1 4766 1 1 1 1 1 1 1 1 8127 6687 1 6236 1 1 1 6370 7063 234.0502 *234.0746* 234.0746@2.8488183 1 1 1 1 1 1 1 1 1 1 1 2028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1170 1783 1 1 1 1 1 3558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2386 1 1 1 1 1 1 1 1941 3325 1 1 1 1 2629 1512 4161 1 5356 1374 1 1 1847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.0746 *234.0752* 234.0752@3.335837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4938 1 1 1 1 1 1 1 1 1 1 1666 1 1 1 1 1 1 1 1 3484 1 1 1 1 1 1 1 1 1 1 1 2384 1 1 1 1 234.0752 *234.0758* 234.0758@3.3932726 1 1 1 1 2592 2314 2493 1 2292 1857 4137 2794 1 2994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1860 1 1 1 1 1 1 1 1 1 1 1975 1144 1 1 1 1 1 1 1983 2251 1 1 3525 3097 1 1 3107 3705 1 1 3875 1353 2331 2015 2998 2572 1 1 1 1 1 1 6901 5647 1 1 1 1 234.0758 *234.076* 234.076@2.9031155 1 1 1 1 1 1 1 1 1 1 1 1035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1710 1 1 1 1 1 1763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3276 2257 3249 1 3401 1 1 1828 1689 1 1 1 1 2016 1406 1 1 1 1924 1 1 1560 3141 1 1 1 1 1 1 1 1 1 3756 1 1 1 1 1 1 1 1 234.076 *234.0796* 234.0796@3.2948134 1 1 1 1 2307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.0796 *234.1099* 234.1099@3.698207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1334 1511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.1099 *234.1619* 234.1619@5.915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.1619 *234.1624* 234.1624@10.966831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2917 1 2744 1 2762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.1624 *234.1627* 234.1627@0.9075065 1 1 1 1 1 1 1 1 2281 1 1 1770 1 1 1 1 1 1 1 2139 1 1 1 1 4223 1 7561 2800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1376 1 1794 1576 1 1 1 1 1 2539 1 7085 1 1 1 1 1 1 6623 1 1 1 234.1627 *234.1632* 234.1632@0.9076232 1 3436 3801 1995 1 1 1 1126 1 2344 2283 1 1 1 1 1 1545 1 1 1 1 1 1 1 1 1 1 1 1017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1695 1 1 2907 3388 2483 1750 1719 1 1 1 1 1 1 1 1 1 1 1 2775 1 1 1 1 1 1 1 1 1 1 2809 1 1 234.1632 *234.1676* 234.1676@10.967732 1 1 3396 2658 3055 3276 3108 2268 2138 2534 2120 2185 2208 2310 1 2758 2259 2196 2189 1534 1 1 1887 1964 1883 1 1 1 2662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3928 1 5014 1 3674 2829 1 2409 1 3563 3054 2724 1 2805 2319 1 2780 2499 2036 2243 1 2671 2493 1 2330 2010 2754 3168 1 2985 2852 2750 1 1 1 1 1 2692 2766 2966 1 1795 234.1676 *234.1715* 234.1715@10.964957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.1715 *234.1722* 234.1722@0.637333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6090 1 1 1 1 1 1 1 1 1 1 2134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.1722 *234.1726* 234.1726@0.9834783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.1726 *234.1731* 234.1731@0.68061703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60276 1 1 1 8214 22289 1 16545 1 1 1 1 1 4321 1 3749 3975 1 1 1 1 1 1 1 3483 3799 1294 1 1 1 1 1 1 1 1 1 1 7090 2578 1 1 2118 1 1 1 1 1 7602 2011 1 1 4165 1227 234.1731 *234.1733* 234.1733@1.1139865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.1733 *234.1734* Lidocaine 76439 74730 82032 81690 17170 16906 51529 51993 777308 759282 77953 79988 29079 27192 101573 105908 105073 108845 98008 96070 602649 614013 350952 340438 77915 81577 184289 186928 272431 275977 6.63E+07 5.90E+07 290959 268087 607113 601463 269208 272125 95649 92260 59840 55414 144480 135987 293205 294525 121526 118706 37214 35323 45203 45716 104470 101922 87650 90122 348966 346806 537694 538101 291055 286732 41434 44303 13702 13149 99397 101642 193306 190035 41945 41197 248527 257985 9895 8903 2590087 213375 408302 403192 3511244 3530941 5760361 5954095 518335 530443 1990638 1990504 60367 69207 C07073 234.1734 *234.1734* 234.1734@1.3715718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 54414 1 1 1 1 1 1 1 1 1 1 1 2423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.1734 *234.1736* 234.1736@0.7922889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1266 1 1 1 1 1 1 1 1 1 1 1 1 1 2446 29144 59088 1 1 1 1 1 1 1 22862 1 10518 5913 9073 1 1 1 1 1 9899 1 1 5507 1 1 1 2742 1 1 4942 1 1 1872 2659 1 1 1 1 1 1 1 1 1 6604 1477 1 1 1278 1 1 1 1 1 5639 1 1 1 1 1 234.1736 *234.1736* 234.1736@0.992153 1 1 1314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173563 50630 1 1 1 1 1 1 1 1 1 8202 5278 1 1 1 1 1 1 3635 1 1 1 1 1 1 1077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.1736 *234.1737* 234.1737@1.1237708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27277 269897 1 1 1 1 1 1 1 1 1 9210 2411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.1737 *234.1744* 234.1744@5.0965786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3569 1 1 1 1949 1 1 1 280141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42430 1 1 1 1 1 1 1 1 1 1 10710 1 234.1744 *234.1745* 234.1745@4.966512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2322933 1 1 1 1 1 1 1 1 1 1 1 1 234.1745 *234.8506* 234.8506@5.7252913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.8506 *234.8543* 234.8543@4.9644547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2744 1 1 1 234.8543 *234.8597* 234.8597@6.4824953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.8597 *234.8624* 234.8624@4.9664693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4929 1 1 1 1 1 1 1 1 234.8624 *234.8833* 234.8833@5.0711007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.8833 *234.8919* 234.8919@5.1575637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.8919 *234.9013* 234.9013@4.96631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7116 1 1 1 1 1 1 234.9013 *234.9198* 234.9198@5.130351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4260 2818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2739 1 1 234.9198 *234.9286* 234.9286@4.975456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1293 1 1 1 234.9286 *234.9361* 234.9361@5.1815753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.9361 *234.9488* 234.9488@5.23615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.9488 *234.9544* 234.9544@4.965455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2301 1 1 1 234.9544 *234.9661* 234.9661@5.033364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3386 1 1 1 1190 1 1 1 1 1 1 1 1 1 234.9661 *234.9861* 234.9861@4.966308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2213 1 1 234.9861 *235.0018* 235.0018@5.0845785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9819 1 1 1 1 1 1 1 235.0018 *235.0065* 235.0065@5.0895305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.0065 *235.0193* 235.0193@4.967455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2015 1 1 1 235.0193 *235.0283* 235.0283@5.126317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3450 1 1 1 1 1 1 1 1 235.0283 *235.0498* 235.0498@0.9360329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2024 1 1 1 1 1 1 1 1 1 1 235.0498 *235.0581* 235.0581@6.2891335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.0581 *235.0643* 235.0643@5.0031986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2115 1 1 1 1 1 1 235.0643 *235.0652* 235.0652@4.0621047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1092 1218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1048 1 235.0652 *235.0696* 235.0696@0.8543518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1259 1 1 1 1 1 1 1 1069 1 1 1 1515 1651 1765 1337 1 1 1 1 235.0696 *235.0707* 235.0707@0.8557683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2179 2142 1 1 1 1 1 1 1 1 2216 2117 1 1 235.0707 *235.122* 235.122@7.5293627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28363 29315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.122 *235.1569* 235.1569@7.5522094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.1569 *235.1573* 235.1573@7.494237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7224 12015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2295 1 1 1 1 1 1767 1 1 1 1 1 1 1 3415 1 1 1 1 1 1 1 1 1 235.1573 *235.1579* 235.1579@7.548283 1 1 5649 1 1 3376 5021 5553 3904 1 1 1 3356 1 1 1 1 3994 1 1 1 1 1 1576 4074 1 1 1 1 1684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33991 2528 1 1 1 1 1 1 1 1199 1 9227 1 1 1 1 1 1 2860 1 1754 1 1799 1 1 3666 1 4421 2900 5206 1 1 1 1 1 1 2218 2528 3120 3447 1 1 2256 2446 1 1332 235.1579 *235.164* 235.164@7.53858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1627 1 1 1 1 1 2386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3100 1 3207 1 1 1 1 1 1 235.164 *235.1762* 235.1762@1.217983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.1762 *235.1763* 235.1763@0.6200012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24015 1 1 1 1 1 4277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.1763 *235.1764* 235.1764@0.78500324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31830 1 5503 1 1 1 2034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.1764 *235.1775* 235.1775@5.076591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 500093 612137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.1775 *235.178* 235.178@5.006786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2360817 2161000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.178 *235.1811* 235.1811@9.81777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.1811 *235.1884* 235.1884@9.775757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.1884 *235.198* 235.198@9.702795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.198 *235.2038* 235.2038@9.70388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.2038 *235.2044* 235.2044@10.49402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1869 2018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.2044 *235.2087* 235.2087@9.792545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.2087 *235.2114* 235.2114@10.492458 2073 1 1 1 1 1 1 1811 1 1 1694 1490 1 1 1 1438 1330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1890 2185 1851 2399 1955 1 1 1 1657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1291 2184 1297 1 1683 1556 1 1751 1 1 235.2114 *235.213* 235.213@9.794574 1 1 1 1 1 1 1 2108 1 1 1 1 1 1 1 4135 1 1038 1 1 1268 1 3032 1 1 1 1 1163 1 1 1 1 1 37101 1 1 1 1 5433 5087 1 1 1 1 1 2372 1 1 1 1 1 1 1 1 1 1 2449 1 1220 1 1 1 1 1 1 1 2650 1 1090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1488 1 1 1 235.213 *235.8303* 235.8303@5.084326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35508 2034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.8303 *235.8363* 235.8363@4.967469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2083 1 1 1 1 1 1 1 1 235.8363 *235.8632* 235.8632@5.128117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.8632 *235.8789* 235.8789@5.082825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1531 1 1 1 1 1 1 1 1 1 1 1 1 235.8789 *235.9174* 235.9174@5.2711596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.9174 *235.9616* 235.9616@4.96631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5037 1 1 1 1 1 1 235.9616 *235.9715* 235.9715@4.968368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1518 1 1 1 1 1 1 1 1 1 1 1 1 1 235.9715 *235.9828* 235.9828@4.9644547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1166 1 1 1 235.9828 *235.9911* C8 H9 Cl O4 S 2427 3103 2428 3476 2665 3025 1 2221 2622 1 1 1345 1898 3209 1 1 1 1 1 3481 1548 1845 2149 2339 3120 1 1 1 2645 2563 2251 1667 1 1 1 3068 1 2589 3098 1 1 1 1 1 2616 2581 2868 1 1 2356 3745 1855 2800 1287 2381 2618 2520 2663 2503 3200 1922 1 2692 2437 1 2403 2097 1 2948 2031 1 2843 2714 2874 3595 3822 3989 1667 1828 1355 2239 1835 3292 2942 1960 1 1 1 2679 2628 235.9911 *236.0001* 236.0001@5.1269736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4176 1267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1833 1 1 1 1 1 1 1 1 1 236.0001 *236.0345* 236.0345@4.9914827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.0345 *236.0448* 236.0448@0.9073644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9095 9609 1 1 1067 1 1 1 1 1 1 1 236.0448 *236.0448* 236.0448@3.6942124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1520 1 1 1 1 1 1 1 1 1 1 236.0448 *236.0454* 236.0454@3.3971903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1044 1 1 1 1 1 1 1 1 1 1 236.0454 *236.1163* 236.1163@4.436652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11962 11193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.1163 *236.1246* 236.1246@4.297309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4186 4489 1 1 1 1 1 1 1 1 1 1 236.1246 *236.1512* 236.1512@1.2480013 1 1 1 1 1 1 1 1 1057 1 1 1 1 1 1 1 1 1 1 1 1696 1900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1226 1128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.1512 *236.1527* 236.1527@5.276577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1269 1 1 1 1 1 1 1 1 1 1 1 1 236.1527 *236.1597* 236.1597@7.534208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.1597 *236.1795* 236.1795@5.1705704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.1795 *236.8592* 236.8592@4.9142504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15865 22087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.8592 *236.8806* 236.8806@4.9683104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1158 1 1 1 1 1 1 236.8806 *236.9408* 236.9408@4.9074426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.9408 *236.9971* 2,4-DICHLOROPHENOXYACETIC ACID 2214 2347 3069 2317 2755 2360 3895 2841 2197 2872 2462 1897 1747 3759 3771 2402 1816 3644 2134 2714 3073 1988 3878 2629 3174 2928 2902 2127 3130 3124 2155 3142 3432 3280 3239 3917 2818 3781 4053 2181 2689 3163 3308 2531 2975 2862 3291 2925 2856 2931 3126 3354 3299 2539 2893 4229 3205 2505 3872 3817 3428 3226 2941 3227 3286 2640 2984 5018 2902 3498 3289 2735 2607 2946 3481 3195 3132 3566 3414 2995 2966 3062 4033 2543 2568 3575 2199 3125 4079 1960 236.9971 *237.0063* 237.0063@4.9754753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.0063 *237.0642* 237.0642@4.9693103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1001 1 1 1 1 1 1 237.0642 *237.0718* 237.0718@5.23127 1 1 19219 19282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.0718 *237.0738* 237.0738@1.2110453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3810 3449 1 1 1 1 1 1 1 1 1 1 237.0738 *237.0922* 237.0922@5.299883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16468 16958 1 1 1 1 1 1 1 1 1 9448 1 1 1 1 1 1 31647 31549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.0922 *237.0985* 237.0985@3.1871972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1716 1203 1 1 1 1 1 1 1 1 1 1 237.0985 *237.1013* 237.1013@3.3987174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1708 1972 1 1 1 1 1 1 1 1 1 1 237.1013 *237.1091* 237.1091@4.688071 1 1 1 1 1 1 1886 2058 1 1 2587 3021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1632 1884 1 1 1 1 1451 1670 1540 1638 1 1 1821 1677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.1091 *237.1103* 237.1103@3.7084842 1 1 1 1 1 1 1 1489 1 1 1908 1600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1160 1050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.1103 *237.1375* 237.1375@11.305073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1954 1 1 1 1858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1694 1 1 1 1 1 1 1 1 1 1 1671 1 1 1 1 1 237.1375 *237.1467* 237.1467@2.9422452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.1467 *237.1706* 237.1706@6.935995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2243 2423 1 1995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.1706 *237.1807* 237.1807@5.1915803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.1807 *237.8311* 237.8311@4.9304533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.8311 *237.8605* 237.8605@5.0114927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.8605 *237.9498* 237.9498@4.9910765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.9498 *237.9599* C5 H2 O11 1433 1472 2858 2304 2131 1861 1 1 1 1 1 1060 1810 1421 1452 1 1 1 1231 1320 2543 2266 1868 1773 1426 1 1557 1399 1613 2067 1355 1538 1016 1 1868 1681 2576 2333 1877 1985 1 1470 1 1 1 1 1 1 1 1 1732 1474 1 1711 1 1 1335 1363 1879 1740 1 1 2066 2402 1075 1185 1 1 1906 1652 2319 2149 1434 1225 2891 2932 1519 1495 2567 2419 2028 1544 1 1714 1847 2151 1063 1 1317 1577 237.9599 *237.9973* 237.9973@0.7775004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1 1 1 1064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.9973 *238.0502* 238.0502@3.448051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.0502 *238.0822* 238.0822@5.5622835 1 1687 1 1 1 1 1 1 1 1 1725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1506 1 1275 1 1 1 1566 1575 1 1 1 1 1 1524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1346 1 1473 1 238.0822 *238.1383* 238.1383@7.892978 1 8195 1 9628 1 1 1 1 1 1 1 1 1 1 1 15419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5253 9928 1 11163 1 1 1 1 1 1 1 10658 1 1 1 1 1 1 1 1 1 1 1 1 1 6328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.1383 *238.1402* 238.1402@1.2579612 1 1 1 1 1892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.1402 *238.141* 238.141@6.136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.141 *238.1414* 238.1414@0.71659 5225 1 1930 4806 1680 1 2260 4252 1 1 1842 1 1 1 6473 1 1 1 3954 1 1 3831 1 1 1 1 5665 1 5071 1 1 1 1 1 1 4726 1 1 1 1 2258 4371 1 1 1 1 1 1841 1 1 1 1 1 5338 1 7834 2027 1 1 1 1 1 4342 1 1 1 1 1 1 1 1 1 1 1 1 2127 1 1 1 1 1 1 3744 1 1 1 1 1 1 1 238.1414 *238.1415* 238.1415@5.9857745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.1415 *238.1415* 238.1415@4.452981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.1415 *238.1419* 238.1419@3.885395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3757 1 1 1 1 1 1 1 1 1 1 7041 1 1 1 1 1 1 1 1 1 1 1 1 28054 1 1 1 1 1 1 27318 1 1 1 1 1 1 1 1 1 1 1 44643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.1419 *238.142* 238.142@4.0029745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.142 *238.1425* C11 H18 N4 O2 2026303 2058274 2055191 2051285 2080341 2060458 2036235 2050048 2052675 2013156 2084964 2010391 2052848 2075520 2042284 2042517 2044696 2070065 2056538 2039357 2059436 2000954 2029493 2005294 2054428 2056908 2035889 2042013 2064767 2073159 2044648 2003766 1924351 2004421 2043376 2010010 2049373 2004553 2018006 1995705 2062355 2009053 2078654 2083525 1742204 1280744 1305688 1308262 1291028 1278523 1245356 1286383 1309738 1296262 1224524 1263536 1239353 1270452 1241090 1256681 1238494 1251624 1290548 1244395 1223904 1231183 1250831 1236698 1283513 1266129 1271011 1273982 1230685 1253169 1226361 1215066 1268719 1272586 1583936 1583735 1249257 1248437 1230974 1239013 1256986 1231407 1224924 1226286 1257285 1214550 238.1425 *238.1426* 238.1426@0.73967075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4016 1 1 1 1 1 3016 1 1 1 1 1 2421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.1426 *238.2721* 238.2721@3.7072637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3678 1 1 1 238.2721 *238.2734* 238.2734@3.7353132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1090 1 1 1 1 1 1 1 1 1197 1 1 1 1 1 1 1 1 1 1 1 1025 1 1 1 1 1 21533 15574 23746 13918 20632 13957 21712 16561 16001 20740 22532 22305 21905 19037 24150 21871 23246 21895 19889 15706 15184 19019 21154 22018 24179 19567 18420 15230 15485 19964 22421 20361 23163 1 1 22618 16585 15723 13863 20134 22785 9602 17421 22458 19653 238.2734 *238.8288* 238.8288@3.7346213 1 1 1 1 1 1 1 1 1 1 1 1 1 1370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.8288 *238.8362* 238.8362@3.7359164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.8362 *238.8516* 238.8516@3.723909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.8516 *238.8757* 238.8757@3.7353733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1102 1 1 1 1 1 1 1 1 1 1147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.8757 *238.88* 238.88@4.9050503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.88 *238.8841* 238.8841@3.7374496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1512 1 1065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.8841 *238.8894* 238.8894@4.9640684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.8894 *238.9103* 238.9103@3.738701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.9103 *238.9288* 238.9288@3.736889 1 1 1 1 1 1 1 1 1 1 1662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.9288 *238.9472* 238.9472@3.7340338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.9472 *238.9602* 238.9602@4.976072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.9602 *238.9668* 238.9668@0.77800363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1489 1 1 1 5443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1806 1 1 1 1 238.9668 *238.9721* 238.9721@3.7319107 1 1 1 1 2104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.9721 *238.9743* 238.9743@0.7772536 1 1 1169 1 1 1 1 1090 1 1 1 1 1 1 1 1 1 1 1 1 1 1124 1 1 1 1 1 1 1 1 1525 1712 1416 1 1 1 1711 1 1 1210 1 1255 1 1310 1170 1410 1 1 1 1 1233 1228 1 1 1 1 1 1204 1112 1 1 1 1 1 1650 1808 1 1 1507 1844 1 1 1 1391 1352 1 1332 1 1310 1175 1 1 1117 1 2168 1 1242 1211 1 1 238.9743 *238.9766* 238.9766@0.7767351 1 1090 1 1 1 1 1 1 1143 1117 1 1021 1 1 1 1012 1 1 1004 1010 1 1 1176 1 1 1 1 1045 1 1054 1 1 1 1 1378 1346 1 1 1 1 1245 1 1087 1 1 1 1279 1 1 1297 1 1 1151 1367 1 1 1154 1 1 1164 1290 1040 1158 1103 1 1 1 1 1 1 1184 1167 1 1 1 1436 1 1155 1 1 1 1106 1 1234 1 1 1 1 1 1 238.9766 *238.9875* 238.9875@0.77497315 1022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.9875 *239.0203* 239.0203@4.9264517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.0203 *239.0647* 239.0647@1.1947061 1 1 1 1 1 1 2042 2868 1987 1874 1263 1360 1366 1767 1 1 1 1 3388 3648 1 1 1 1 1 1 1 1 1 1 1 1 4193 4629 1 1 1 1 1495 1651 1537 1750 1327 1425 3234 3519 1 1 1018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.0647 *239.0683* 239.0683@4.9070516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.0683 *239.0899* 239.0899@5.3824854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6096 6533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11950 12055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.0899 *239.09* 239.09@1.2695324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1624 1857 1 1 239.09 *239.0965* 239.0965@3.2963347 1 1 1652 1556 1 1441 2072 2327 2672 2399 2967 2735 1764 1775 1407 1488 4826 3468 2428 1983 1269 1804 1971 1965 1 1 1782 1849 1 1 3089 2961 1215 1679 2141 1990 3723 3555 1196 1037 1875 1617 1629 1633 1 1 2714 2669 1 1 4081 4698 2094 2483 2210 1768 1940 2010 1 1 1263 1266 1627 1309 1328 1093 1 1 3414 3060 1821 1749 3202 3857 1486 1703 1 1 1969 2141 1 1 1 1 2276 2234 6277 6335 1 1 239.0965 *239.1145* 239.1145@4.11779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33766 37528 1 1 1 1 1 1 1 1 1 1 239.1145 *239.1204* 239.1204@3.0500662 1 1 1 1 1 1 1 1169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.1204 *239.1239* 239.1239@4.0257807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2429 3554 1 1 1 1 1 1 1 1 1 1 239.1239 *239.1415* 239.1415@5.3689775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.1415 *239.142* 239.142@4.1404877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1059 1 1 1 1249 1 1138 1 1 1 1625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1541 1 1 1 1 1 1 1 1 1 1 239.142 *239.1446* 239.1446@3.9737897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 1 1 1123 1 1426 1 1 1 3437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2141 1 1 1 1 1 1884 1 1 1 1 1 1 1 1 1588 1 239.1446 *239.1449* 239.1449@6.2024655 1 1111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.1449 *239.1451* 239.1451@3.9412084 1 1 1 1 1 1 1 1 1 1 1 3874 1 1 1146 1 1 1 1765 3374 1 2243 1394 1 1 2615 1313 1 1 1 1855 1307 1 1453 1 1021 1 1 1389 3003 1 4838 1469 1 1 1424 2398 1175 1 1 1 1 1 1 1266 1 1219 1 1003 1 1 1 1 1 1 1 2611 1799 1 1 1 3080 1 1326 1 1 1435 1 1 1195 1057 1 1 3521 1658 1 1 2239 1003 1 239.1451 *239.1457* 239.1457@4.9610677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.1457 *239.1471* 239.1471@8.100072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2011 1691 1 1 1 1489 1 1 1 1353 1 1 1 1 1 1 1 1327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.1471 *239.1512* 239.1512@4.9414587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.1512 *239.1513* 239.1513@6.5983076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9215 9941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.1513 *239.1803* 239.1803@8.3986 1 1 1 1 1 1 1 1 1 1 1 3620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.1803 *239.1866* 239.1866@8.397996 1 1 1 1 1 1 1 1 1 1 3112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3140 6397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.1866 *239.2088* 239.2088@4.9040504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.2088 *239.2767* 239.2767@3.7375896 2048 1 2634 1 1 1 1 2053 1168 1 1 1 1476 1 1 1 1 1 1127 1 1 1 1 1 1446 1 2174 1 1 1 1164 1 1481 1 1 1913 1 1 1 1689 1 1 1 1677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.2767 *239.9602* 239.9602@0.8362929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36747 1 1 1 1 1 2665 1 1 1 1 1 1 1 1 5455 1 1 1 1 1 1 8496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36192 1 1 1 1 36655 1 1 1 1 1 1 1 1 1 1 239.9602 *239.9603* C8 H2 Cl2 N4 O 40622 38425 38356 38022 39955 39296 40491 40713 38763 39432 38409 39569 40229 38937 40964 37946 40919 39512 40384 1296 38936 38497 38100 38315 39330 41056 38441 36868 40328 38676 37917 37564 37716 39489 1293 37887 37947 38112 37845 38946 34376 36313 37965 36972 37753 37363 38249 38499 37142 29293 38233 39041 38683 37967 40049 39895 30632 39027 37963 38144 39579 38203 39776 38247 38773 36934 37119 36688 37183 34554 36908 37341 37968 38244 1124 37040 36449 37343 38102 1002 37536 38381 37818 35758 35253 37607 37161 35861 39994 38575 239.9603 *239.9667* 239.9667@0.8424741 1 1 1 1 1 1 1 1 1 1 1318 1 1 1 1 1621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.9667 *239.9672* 239.9672@4.911444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.9672 *239.9964* 239.9964@4.9542665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2760 1369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.9964 *240.0064* 240.0064@0.8939785 1 1 1 1 1 1 1074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.0064 *240.028* 240.028@4.9710703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.028 *240.0513* C8 H17 Cl N2 S2 2257 2264 2034 2507 2659 2580 2244 2723 2247 2064 2058 1 1308 3068 1 1713 1624 1 1 1 1863 2568 2586 1 2022 1 5769 6794 2679 1 3743 3332 2045 2224 2124 1900 1937 2490 2992 3179 1 2228 1190 1863 1550 1411 2957 2208 1035 1 1248 1 2164 2104 2323 2673 2162 2944 2899 2469 1 1 1 2225 2692 1 1593 2011 1 1 1 1 1341 1 1 1905 1 1 1 2495 1 1 1913 1 1 1833 1 1 1 1 240.0513 *240.0517* 240.0517@2.0481753 1 1 1 1 1 1 1 1 1 1 1 1 1185 1 1 1070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1448 1 1 1 1 1203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.0517 *240.0746* C10 H12 N2 O5 6339 6274 6674 6702 6872 6844 6945 6721 7813 8305 6129 6136 7914 7639 5476 5891 6311 6987 9029 4494 4082 6489 5250 5338 6836 6365 5596 5226 4745 4503 4251 8685 7076 8330 7366 7391 5661 5311 8226 3903 7560 8026 4581 7590 6064 7679 4261 8298 2996 5781 7487 7253 6384 5740 5896 4968 7863 4822 9190 4774 6757 7047 6097 5480 8017 7240 4591 4785 4030 7640 7909 7628 6114 6036 7660 7937 8449 8613 1 1 6357 5731 9404 4699 3784 7709 7631 6954 8741 8794 240.0746 *240.0874* 240.0874@1.2450469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2191 1 1 1 1 1 1 1 1 1 1 240.0874 *240.0899* 240.0899@5.2251954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.0899 *240.0978* 240.0978@0.9119906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.0978 *240.105* 240.105@0.9045714 1 1 6978 5707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7014 7274 1 1 1 1 1 1 1 1 1 1 9611 9240 1 1 1 1 1 1 1 1 3166 1 1 1 1 1 5047 5868 1 1 1 1 7430 1 1 1 1 1 5849 5564 7231 6717 6023 5092 1 1 1 1 1 1 1 1 1 1 240.105 *240.1054* 240.1054@4.914446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.1054 *240.1123* 240.1123@0.89615506 1 1 1 1 11041 10662 1 1 1 1 1 1 1 1 1 1 1 1 5878 6647 1 1 1 1 1 1 12319 11737 1 1 8220 7583 1 5893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7799 7311 1 1 1 1 1 1 1 10892 1 1 1 1 1 1 1 7283 8390 7711 1 1 1 1 1 1 1 1 1 1 1 1 8816 9034 9801 8927 8469 8698 240.1123 *240.12* C13 H20 O2 S 11595 11253 1 1 1 1 18545 19047 9931 11321 12715 12001 15860 16352 20750 21463 16100 14925 1 1 10719 12520 8892 9114 13194 12906 1 1 12870 13029 1 1 2886 1 1 1 10430 10352 10565 9632 18410 18300 9494 8956 8789 9889 1 1 17513 16877 27324 1 1 1 11865 10771 6613 10043 14430 14054 10619 1 1 1 9459 9029 17775 18723 1 1 1 1 16030 16433 1 1 1 1 1 1 9928 10724 17165 17093 1 1 1 1 1 1 240.12 *240.147* 240.147@2.6772728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.147 *240.1471* 240.1471@2.5976474 1 1 1 2803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2581 1 1 1 1 1 1 1022 1 1 1 1 1 1 1 1 1 1962 1027 1348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2052 1 1 1 1 240.1471 *240.1473* 240.1473@2.1334555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1322 1 1 1 1 1 1 1 1 1 1617 1403 1263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1658 1 1 1 1 240.1473 *240.1474* C12 H20 N2 O3 5325 7073 8086 8653 4637 6208 8774 7382 8518 8069 7581 1 7228 6661 7054 6756 7812 6995 11708 9803 7828 1 9611 10820 4940 5357 9616 8699 6685 7016 11278 10312 9040 9885 9258 9159 14103 14247 12309 9631 10673 10451 9395 9000 1 11984 12525 11562 9619 8915 9964 10522 11979 11829 7899 7147 3417 6857 13342 14745 9917 10214 10729 11937 3602 9904 1 8361 2531 11320 13350 14528 8596 1 6341 9684 9256 10852 13960 13174 12750 12223 9892 9634 14542 12187 9135 9825 13373 1 240.1474 *240.1474* 240.1474@2.3338642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1787 2633 1 2199 1 1 1 1 1 1 1 2802 1179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.1474 *240.1475* 240.1475@2.0447612 1 1 1 1175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1180 1 1 1 1 240.1475 *240.1477* 240.1477@2.4721782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1657 1 1 1 1 1 1 2014 1 1 2638 1 1 1 1 1 1 1 1581 1041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1045 1 1 1 1 240.1477 *240.148* 240.148@2.853619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1184 1 1 1 1 1 7134 1 1 1965 1 1 1 1 1 1 1 2654 1 1 1 1 1 1 1 1 1 1 2218 10974 1 1 1 1 1 1 1 1 1 1 1 2992 1 1 1 1 1 1 1000 7246 1 8306 1 5215 1 1 1 1403 7447 1 1 1 1 1 1 1 1 1 1 1 3386 1 1 1 13847 240.148 *240.148* 240.148@1.7240298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1214 1 1 1 1 240.148 *240.148* 240.148@2.4579756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.148 *240.1695* 240.1695@9.800913 1 1 1 1 1 1 1 1 3945 1 1107 1 1 1662 1 1950 1 1 1 1126 1 1 1 1 1 1 1 1 1 1608 1 1 1 1 1 1 1 7559 1 1 1 1 3880 1 1657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2028 1 1 1 1 1 1 1 1 5829 1 1 1 1215 1 1 4067 1 1 1 1 1 1 1 1 1 1 1 240.1695 *240.1708* 240.1708@13.481337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1040 1 1 1 1 1 1 1 240.1708 *240.1719* (1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid + 13.396578 5410 1 5073 3155 3103 1 4284 3941 1 4486 3349 2662 5780 4015 5058 5365 4126 3079 1 4053 4387 4919 4582 1721 3288 4517 4411 4231 4648 3591 4735 1 3815 3715 3831 5116 4920 4338 3143 5390 3661 1 5288 3479 4593 4586 4369 3640 3790 3585 3877 3424 3445 3792 4908 3857 2860 5130 3692 2505 3450 4272 4964 3871 4602 4982 3778 3042 3184 3404 3522 5142 4293 1 4226 1 5274 4497 3612 3420 4324 4761 3707 3952 3810 2695 3554 4531 3660 3912 240.1719 *240.1742* (1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid 2529 2387 2066 2187 1906 2281 2127 2128 1981 2289 1975 1885 2373 1 2052 1772 2086 2000 1999 1861 1 1924 1911 1930 1 2115 1547 1765 1746 1 1352 1966 2325 1865 1772 1790 2135 1995 1 1764 1553 1894 1 1 1 1744 1709 1976 1556 1659 1 1 1 1 1 1448 1844 2029 1819 2197 1 1896 1 1 1749 1 1 1877 1563 1 1499 1 1 1820 1 1 1 1833 1505 1726 1 1754 1 1 1 1259 1 1 1 1817 240.1742 *240.1774* 240.1774@11.874818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1789 1 1 1 1 1876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.1774 *240.1929* 240.1929@6.3159733 1 1 1 1 1085 1 1 1 1 1 1 1 1052 1 1123 1121 1 1 1 1 1 1 1 1 1 1 1 1209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1106 1012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1111 240.1929 *240.2172* 240.2172@5.128208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8716 8996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.2172 *240.2754* 240.2754@5.1277084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3425 3366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.2754 *240.8452* 240.8452@4.9380603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.8452 *240.9634* 240.9634@4.9284525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.9634 *241.0261* 241.0261@3.9221957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1282 1 1 1 1 1 241.0261 *241.0262* 241.0262@5.8752165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1130 1805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.0262 *241.0518* 241.0518@4.9120526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.0518 *241.0933* 241.0933@3.4210901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.0933 *241.0935* 241.0935@1.2485132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.0935 *241.0937* 241.0937@4.9320593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.0937 *241.095* 241.095@3.832261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1452 1503 1 1 1 1 1 1 1 1 1 1 241.095 *241.105* 241.105@1.2470472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1901 1997 1 1 1 1 1 1 1 1 1 1 241.105 *241.1119* 241.1119@1.2430325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.1119 *241.1161* 241.1161@0.9435827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2255 2022 2520 1294 1 1 1428 1425 1 1149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.1161 *241.1178* 241.1178@1.244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1688 1197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.1178 *241.1209* 241.1209@4.911444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.1209 *241.1228* 241.1228@1.2448313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2635 1742 1 1 3536 2873 3956 3507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.1228 *241.1233* 241.1233@5.983734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40197 41697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24261 23192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.1233 *241.1239* 241.1239@6.074734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 373532 384873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154076 155407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.1239 *241.1475* 241.1475@6.6655946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3791 3885 1 1717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1820 2430 241.1475 *241.1487* 241.1487@3.746917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.1487 *241.1502* 241.1502@2.9749084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.1502 *241.1519* 241.1519@4.934259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2298 2366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.1519 *241.1521* 241.1521@6.6659017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.1521 *241.1681* 241.1681@6.644899 1 1 1 1 1 1 1 1 1 1 1977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2866 3519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.1681 *241.1722* 241.1722@9.742307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.1722 *241.2039* 241.2039@8.379531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1085 2265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.2039 *241.2288* 241.2288@4.9264517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.2288 *241.2541* 241.2541@6.0736117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4366 3911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.2541 *241.2759* 241.2759@10.655667 1 1 1 1 1 1 1541 1401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1088 1 1437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.2759 *241.2769* 1-Hexadecylamine + 10.330298 2076 2661 2885 1 3182 3192 1336 3920 1 4376 4181 2833 2686 4173 4023 3239 3918 3133 3686 2650 1 1 3221 3401 3363 2895 1041 2676 2561 3216 1 2736 2638 3178 3776 3467 2876 2718 3383 3734 3103 3719 1 2610 3147 2592 1 1188 1390 1 1 2914 1 2753 2898 1 2105 1 1 1 4764 1614 3301 2089 1 2946 1861 3124 2607 2433 1 1882 2202 3269 1 2478 1959 3035 1 3080 2237 2634 1 2845 1 1 1 1 1 2803 241.2769 *241.2769* 241.2769@8.469418 1 2536 1 1 1 1 1 1 1 1 1 1 4447 1402 1 1 1 1 1 1 1 1 1 1 1 1933 1 1519 2506 1 1 1 1 1 1 2966 1 2915 1 1477 1 1 4481 1984 1 1 1 1 1 3048 1 1 1 1 1 1 1 1 1 1 7789 1 1 2900 1 1 2346 1 1 1 1449 1 1 1 2892 1 1 1 1 1 1 1 2504 1 1 1 1 1 2269 1 241.2769 *241.277* 241.277@8.425017 1 1 1 1 1 1 1 1 2338 2955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1396 1 3095 1 2499 1 1 1 2238 3898 1 1 1 4255 1 1 1 1 1 1 1 1 1 1 1 1 1 3123 1 1 1 1 1 1 3182 1 11118 1 1 1 1 1 1 1 1 1 1 1 1 4929 1 1 1 1 1 1 1 2340 4578 1 1 1 1 1 241.277 *241.2772* 241.2772@8.774207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.2772 *241.2773* 1-Hexadecylamine 107581 109088 113452 109401 109555 110433 105592 110973 105436 112875 106706 108252 114460 109499 102150 107127 113604 114232 111466 103360 106601 110686 104693 108548 106743 101561 102582 105845 107958 103004 106241 114203 113834 109852 106907 106459 102788 109898 105331 103563 106235 109971 109339 108051 108641 107439 103323 108405 105348 107061 103672 112417 106533 104342 103015 107816 103173 113618 110203 104057 102831 102777 98424 104757 103859 101355 103240 104102 102329 104557 105938 100951 102872 103931 105495 108482 105860 104474 103733 104388 105304 102469 104487 102226 100742 100331 106497 100406 106369 104717 241.2773 *241.2775* 241.2775@14.702123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2376 1 1 1 1 1 1 1 1 1 1 1 1 1 1667 1 1 1 1 1 1 1 1 1136 1 241.2775 *241.2777* 241.2777@10.929133 1 1 1 1 1 1 1 1172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.2777 *241.9195* C4 H2 O8 S2 5934 5930 6355 1 5724 6032 6995 6418 6116 6723 6122 5878 5439 6053 6879 6023 5828 5709 6334 6051 5728 1 5669 5128 5977 6203 6010 5456 5667 5686 6100 5837 5499 5578 5516 5628 6267 5876 6134 5586 6125 6374 5931 5309 5860 6346 6535 6281 5978 5294 5960 5978 5417 5361 6291 6040 6061 6105 5352 5691 5503 5709 5703 5978 5860 6166 5011 5346 5616 5974 4972 5325 5359 5880 4968 5368 5949 1 6080 5990 5228 5358 5687 5121 5998 6204 5601 5951 5698 5559 241.9195 *241.9841* 241.9841@0.7726178 8288 7898 1 8314 8072 8267 8823 7745 1 8634 4117 8287 8803 8101 8836 8672 8092 8314 7602 8145 8311 8558 1 10018 4985 8619 8499 9306 10691 9935 9256 1 8874 9670 10384 10156 1 10114 9006 9011 1 8149 8898 8717 1 8434 8280 9324 9929 11188 9312 9074 9794 10228 8585 8929 5358 9123 9905 10258 9233 10199 5087 9181 5415 9433 10072 6192 11235 10335 6604 10414 10408 10529 6278 6221 10481 10464 9159 9786 9691 10010 11921 12704 9819 10469 9294 5256 5743 9786 241.9841 *242.0772* 242.0772@1.7180544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.0772 *242.0778* 242.0778@3.008295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.0778 *242.0787* 242.0787@1.2779819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2027 1584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1642 1333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.0787 *242.103* 242.103@0.8451133 1005 1 1018 1165 1 1046 1 1 1 1036 1 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1194 1 1 1 1123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.103 *242.1061* 242.1061@0.8446504 1 1 1 1 1168 1 1211 1387 1 1 1006 1 1 1 1 1 1 1 1519 1313 1 1392 1 1284 1 1 1 1 1 1 1092 1450 1 1 1164 1 1786 1483 1170 1 1270 1 1 1068 1006 1 1457 1593 1377 1 1039 1 1294 1005 1 1 1 1 1119 1170 1 1 1 1039 1062 1 1 1 1 1095 1232 1295 1 1 1 1 1 1125 1 1132 1 1322 1122 1076 1476 1 1 1060 1212 1397 242.1061 *242.113* 242.113@4.2765913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6180 6850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.113 *242.1131* 242.1131@4.1740856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3565 4077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.1131 *242.1132* 242.1132@4.9445744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1773 1 1 1 1 1 1 1 1 3451 2958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.1132 *242.1159* 242.1159@1.246047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1344 1419 1 1 1 1 1 1 1 1 1 1 242.1159 *242.1262* 242.1262@1.0425367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4882 4947 1 1 1 1 1 1 1 1 1 1 242.1262 *242.1757* 242.1757@3.497113 1497 1800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4512 3899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13356 13896 4264 5229 13472 2598 15389 16356 7702 6749 3778 3853 7273 8756 5815 5666 6051 7188 1925 14273 1184 3094 10332 11951 7819 7646 6250 5781 9054 9241 242.1757 *242.1761* 242.1761@3.7923174 1 1349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16867 16318 29069 27500 18176 16732 56445 34339 35692 35598 25755 24153 10793 11128 6442 7451 29749 31481 16721 17457 20250 19674 24118 23040 36554 36250 30805 28363 38884 41297 242.1761 *242.1763* 242.1763@3.611944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27908 27183 1 14369 66286 64703 34089 35374 23241 24631 1 1 1 1 31410 33100 14531 1 18844 18571 34646 33728 38690 39521 30928 30871 33380 34901 242.1763 *242.1967* 242.1967@6.384438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.1967 *242.2792* 242.2792@8.354024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.2792 *242.285* 242.285@4.9370604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.285 *242.9856* 242.9856@0.7732708 1 1 1867 1 1 1 1 1 1510 1 1436 1 1 1 1 1 1 1 1 1 1 1 1 1 1997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1922 1 1 1 1802 1 1 1 1 1 1 1 1 1 1 1 1972 1 1 1 1 1 1922 1 1644 1 1 2329 1 1 2336 1 1 1 2311 2182 1 1 1 1 1 1 1 1 1 1 1 2015 1926 1 242.9856 *243.072* N-Acetyl-beta-D-mannosamine 4291 3753 3888 3865 7189 7505 7432 7224 4290 4303 3146 3148 4470 4084 3707 3896 4488 4515 4373 4116 6291 5780 4254 4680 3395 3609 2652 2665 4668 4610 6947 7329 2797 2652 5479 5148 5779 6149 3700 3981 3894 4431 3573 3561 5353 6023 5458 5784 4197 3585 5364 5273 9869 6770 4101 4343 5982 5286 6967 6673 3544 3266 3877 3733 3999 4419 2234 2649 2877 5563 5864 6198 5294 6260 4064 3155 3969 3632 6912 3170 3721 4285 4385 4083 5308 2339 2109 2230 7799 8136 243.072 *243.0722* N-Acetyl-D-mannosamine 2604 2478 1879 1 2683 1 1 2706 3377 2693 1 2284 2769 3215 2872 2084 3391 3283 2174 2920 1441 3111 1517 3259 2682 1912 1 2115 2549 2617 3329 3439 1776 1 1 1 2031 2428 1 1 3049 2392 1571 2838 3761 8060 3709 4188 1 3485 1 2987 1 3452 2753 2060 1712 2669 2154 1 2584 1 2638 2683 2855 2516 1 1 1433 1 1178 3219 2732 1813 1 1 1992 2629 1 3905 1915 1434 1 1 1 5518 1 1 1129 2615 C00645 243.0722 *243.074* 243.074@1.0570025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1351 1 1380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.074 *243.0857* Cytarabine 15263 34353 22325 21011 28118 26944 21365 22890 31645 30621 21777 23845 39831 39767 48469 49377 26467 27492 25603 25196 27316 26826 23675 24903 33655 30470 11965 29637 23204 22231 47195 44425 29425 14320 33350 16743 15082 36050 33345 34196 39532 39789 44273 41889 42580 40912 25007 24101 11918 30517 58705 57328 36423 35461 25937 31665 46785 45586 24857 24436 19279 20062 10628 22136 24190 23895 37109 37489 26674 11068 36570 33937 31732 12926 32426 31727 41501 42898 14826 14795 25135 25358 37648 35084 33314 13773 29322 28138 30988 31887 C02961 243.0857 *243.1038* Biotin amide 1565 1822 2541 2524 2273 2652 2321 2065 2247 1993 1958 2151 2564 2401 1127 1388 2073 2235 2204 2777 1 1 3515 4060 1409 1 2733 2427 3137 2967 2057 1710 1 1 2695 3225 2284 3285 2568 2832 4700 3974 2809 3674 2243 2656 4908 4208 1 1975 1666 2660 2150 2251 1261 1438 2185 1961 1990 2064 2163 1969 1387 1181 1443 1327 2054 1743 1 1123 9623 10578 1921 1566 2433 2483 4407 6501 15595 17989 1591 1713 1916 1864 3806 11145 3852 3429 1571 1909 HMDB01458 C01893 243.1038 *243.1132* 243.1132@3.3241847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1047 1 1 1 1 1 1 1 1 1 1 243.1132 *243.1472* C12 H21 N O4 4814 4874 5028 4852 9103 8955 12073 13465 6706 7360 9768 9496 5724 6306 5293 5278 5622 6089 6847 7014 5519 4715 5726 5968 5708 5420 10202 10503 4884 4553 6235 6191 6283 5532 4527 4524 7009 6771 6438 6220 6012 6004 8667 8001 6449 6699 8043 7382 5207 5874 4445 4098 7040 7432 7360 6820 5161 5207 5882 6060 8322 7992 4540 3879 5912 6223 5931 6564 5425 5282 5287 6185 7142 7681 5553 5315 8449 8610 4719 4275 4731 4441 6910 6844 7144 7216 9617 9437 5274 4789 243.1472 *243.1834* C13 H25 N O3 20459 22869 34567 33337 21972 23184 21712 21255 19466 19576 51735 51535 25966 24630 19769 21252 20382 19864 26768 26949 16197 17340 25831 24589 23967 23952 49235 47321 20380 21442 21207 21221 22080 21919 27361 27167 51193 50907 24025 24147 30702 29536 24646 26170 89754 89603 19526 18666 16587 16476 20127 20129 17781 18787 31783 31235 16699 18524 23134 22409 21820 21806 23557 23480 23664 23021 20808 20913 17498 17756 22507 22481 21084 21153 17653 16707 19812 19307 25124 25139 24869 26077 30132 29593 16092 16327 21534 21927 19437 18143 243.1834 *243.1836* 243.1836@6.503577 1 1 1 1 1 1 1 1 1 1 3740 3224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3780 4282 1 1 1 1 1 1 1 1 1 2457 1 1 1 1 1 1 8118 7621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.1836 *243.2192* 243.2192@9.598177 1 1 1 1 1760 1516 2310 2073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.2192 *243.2192* 243.2192@9.676097 1 1 1 1 1 1 1470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.2192 *243.2198* 2-amino-tetradecanoic acid 15409 14297 17733 18430 15022 14743 16113 15792 14692 14287 14326 15029 14315 14927 14575 15765 14208 15249 15974 15725 14342 15813 15440 14451 15609 15949 14316 14245 14318 13727 14525 15980 15168 15144 14878 14333 15571 15111 15154 15013 14622 15475 14505 14304 15578 14983 14570 15241 14665 13928 14887 15625 14510 15173 13772 14725 12417 14682 15198 15095 14656 14317 13654 15157 14556 15445 14564 14562 14478 13734 14643 14790 14949 13664 15112 13995 14583 13851 14840 14837 13281 15766 14059 14704 13808 14343 14026 14294 14147 14447 243.2198 *243.9447* 243.9447@0.85129493 1 1 1 1 1 1 1 1 1 1 1 1206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1092 1 1 1 1 1 1219 1 1 1 1 1 1 1 1 1 1886 2244 1231 1 1 1 1 1 1 1 1057 1 1 1 1 1344 1 1 1 1 1 1336 1 1 1 1 1 1 1 1 1 1 1059 1 1467 1 1 1149 1 1 1223 1092 243.9447 *243.9459* C7 H7 Cl3 O3 2705 3325 3118 3344 3286 3337 3359 3387 2521 3333 3508 2009 2177 3059 3541 3514 3639 3526 3398 3415 1 3425 3090 3121 3224 3572 3143 3308 3160 3889 3288 3477 2203 3247 3448 3445 2238 3432 2086 3407 3289 3238 3377 3651 3084 3049 3130 3421 1533 1248 1954 3353 3447 2236 2324 3567 3267 3254 2155 3228 3200 3016 1 2087 3403 3317 2003 1 3096 2031 2711 2957 3062 1 3082 3197 3148 2839 3069 2881 2429 3320 1835 3296 2931 2027 3125 3348 2008 2032 243.9459 *243.9841* 243.9841@0.7720051 1 1 1 1 1 1 1 1 1906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2084 2092 1 243.9841 *244.0098* 244.0098@0.9864564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1004 1162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0098 *244.0247* 244.0247@1.1889992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1815 1 1 1 1 1 1 1 1 1 1 1 1 1 1689 1 1 1 1 1 1 1 1 1 1 1 1695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0247 *244.0614* 244.0614@4.5291595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26024 24157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0614 *244.0678* 244.0678@0.9131525 1 1067 1 1 1 1 1 1 1 1 1 1 74653 1 1 1 29960 1 1 1 62161 64878 1 1 15488 15077 1 1 1 1 1 21397 1 33682 1 1 9240 7546 36587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10510 1 1 10677 4707 1 1 10595 1 1932 2106 1 1 1 1 8073 3395 1 1 1 1 6613 1 15174 15460 5410 5399 1 13002 1 1 1 1 12950 5109 244.0678 *244.0706* 244.0706@1.2151002 12129 1 13897 1 13221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10796 1 1 1 1 1 1 1980 1 1 1 1 16656 1 1 1 1 1 1 1 1 1 1 1 1 22725 16503 1 1 1 1 1 1 1 1 1 1 1 1 1 15589 1 1 26513 12216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0706 *244.0715* 244.0715@8.962599 1 1 2808 1 2761 1 4336 3833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0715 *244.0741* 3,3,45-Tetrahydroxystilbene 1 3444 4159 5049 1 4633 4584 4614 4581 4753 6259 6574 4923 5084 6496 5515 4704 5214 6126 5137 9102 8740 5416 1 1 4340 7003 7104 5075 4488 6378 9754 7620 8932 6509 1 5201 6141 5175 5592 5772 1 4799 5455 5342 5122 4784 5192 1 6478 6013 5760 5520 5628 3767 1 6133 5213 4625 4260 5057 4549 5170 1 5142 5399 1 1 6056 6061 6269 6151 4802 4224 6789 5758 1 1 3955 4110 4639 4864 5524 5274 6228 5937 6400 6686 5349 5738 HMDB04215 244.0741 *244.0752* 244.0752@1.0400015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0752 *244.0875* 244.0875@3.2685282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0875 *244.0888* D-Biotin 1 1 1 1 1 1 1 1 1 1 1411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3354 3057 1 1 1 1956 1523 1009 1 1 1709 2386 1 1 1 1 1 1 1 1 1 1 1 1396 1 1905 2809 3203 2189 1792 1 1 1430 1861 1615 1 1796 1338 1 1520 1 1 4208 5145 1770 1020 1 1360 1 1 1 1321 1134 3697 1983 1779 1 1 2049 2019 1630 1448 1 1 HMDB00030 C00120 244.0888 *244.0921* 244.0921@3.0334096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2463 2980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2297 1052 1 1 1 1 2512 4684 1 1 1 1 1 1 1 1 1 1 1 1 4113 4609 1649 1101 1 1 1 1 1 1 1997 1972 1 1 1 1 1 1 1 1 1 1290 244.0921 *244.093* 244.093@3.2329776 1 1043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1335 1463 1 1 1 1 1 1 1 1 1906 1532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1424 1 1 1 1 1291 1 1 1337 1 1 1 1 1 1598 1742 1 1 1 1 1 1 1 1 1250 1244 1 1 1 1 1 1 1 1 1 1 244.093 *244.0932* 244.0932@3.2162232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3414 1 1 1 1 1 1 1 1 1 1 1 244.0932 *244.1211* 244.1211@5.419345 1 1 1 1 2583 2788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2091 2069 1075 1233 1 1 1437 1061 1 1 1 1 1 1 1 1 244.1211 *244.122* 244.122@5.175646 1 1 1 1 2730 1964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2901 2012 1 1 1 1 1344 2256 1 1 1078 1034 1 1 1 1 244.122 *244.1278* 244.1278@1.2480133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.1278 *244.1289* C8 H16 N6 O3 15733 17258 17195 16002 14931 14989 16481 16873 24743 25841 14638 14336 18422 13418 20467 21130 18763 12110 16654 15722 18236 20392 20348 22332 19516 20997 17424 17606 13079 17459 20789 20349 17378 17514 21159 22484 14931 15553 21184 20899 16098 13368 21278 20940 15770 14636 11961 11857 19764 13215 22989 22931 22794 23328 21059 15270 21508 22762 21460 20814 14961 15869 17083 16888 15964 20362 8360 12537 13132 18165 16397 14587 19931 19301 20793 22324 18018 18867 17179 18090 15437 18949 21236 21955 15374 16399 15248 14655 14343 21158 244.1289 *244.1332* 244.1332@1.2505062 1 1 1 1 1 1 1617 1281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5199 1 1 1 1 1 1 1 1 1 1 1 244.1332 *244.1398* 244.1398@1.248676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1139 1 1 1 1 1 1 1 1 1 1 1 1 1 1017 1181 1 1 1 1 1 1 1 1656 1 1 1125 1 1 1 1 1 1 1 1 1481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.1398 *244.145* 244.145@1.2647063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2018 1 1 1 1 1 1465 1 1 1 1 1 1 1 1 1 1 1 1 1472 1 1 1 1 1 1 1 1 1 1 244.145 *244.1549* 244.1549@2.9512978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1776 1119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1127 1 1473 1394 1 1255 1506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5712 5293 1 1 244.1549 *244.1625* 244.1625@4.109974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.1625 *244.1733* 244.1733@0.91406757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.1733 *244.1827* 244.1827@5.915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.1827 *245.0413* 245.0413@0.99649525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4480 1811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.0413 *245.0478* 245.0478@0.99750626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.0478 *245.0573* 245.0573@0.99701184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.0573 *245.0661* 245.0661@0.9617984 1 1 1 1 1 1 1 2207 1 1765 1765 2119 1 1 1 1 3002 2872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3507 3256 2985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2114 2161 1 1 1 1750 1756 1 1 1 1 1 1 1 1 1 1 1 2092 1 1 1 1 1565 1 1 1 245.0661 *245.0678* 245.0678@1.0019886 1 1 1 1 1 1 1 1 1 1 1 1 1 3002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.0678 *245.0724* 245.0724@3.2882292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1065 1 1 1 1 1 1 1 1 1 1 1 1 245.0724 *245.073* 245.073@4.0142303 1 1 4187 3995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1458 1659 1 1 1 1 1 1 1 1 245.073 *245.0735* 245.0735@0.99949116 2555 2565 1559 1 1 1 1 1 2673 1 1 1 2491 1 1397 1633 1 1 3546 3020 1 1 1 1 1 1 1976 2210 1 1 1 1 1 1 1 1 1 1 1965 1835 1 3246 1 1 1 1 3383 3456 1214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.0735 *245.0756* 245.0756@1.2400203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9710 9224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.0756 *245.0788* 245.0788@4.7012563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1193 1236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.0788 *245.0809* 245.0809@1.008973 1 1 1 1 4893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.0809 *245.0854* 245.0854@1.0043991 1 1 1 1 1 4617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1517 1895 1 1118 1 1 1626 1935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2004 1 1 1 1280 1 1 1 1 1 1 1011 1 1 2043 1261 1 1 1 1 1 1 1 1 1 1 1918 1659 1 1 245.0854 *245.0907* 245.0907@1.0316721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.0907 *245.1006* C9 H15 N3 O5 3534 1534 9955 8231 1 1 2767 6889 6500 6490 7757 1870 5272 3527 5544 5692 2397 1534 11666 10934 5577 5206 2738 3679 3313 3182 2302 1 2044 1360 7002 6200 6593 5587 4497 1 8830 7934 10680 8694 12202 5595 7118 3185 1823 3780 3115 3213 1 3767 3758 1093 2575 2503 1258 1325 3653 3113 5062 7192 2782 4776 4694 4307 4555 4101 4335 1 1628 5493 3455 4055 1 1 2929 3807 4004 3879 4529 7194 2851 4163 1 1 6879 7291 1 2731 3753 2785 245.1006 *245.1006* C9 H15 N3 O5 + 1.1884668 1 1 6565 6425 1 1885 3785 2736 3241 3134 1 2994 2970 5003 1 1 3625 3471 1 1 3600 3121 1 1 1 1 2255 2453 1475 1 1 1832 3393 3931 1 4741 4365 4905 6836 5931 5379 12615 1311 6982 1 2032 1 5069 3706 1 1210 2911 1 5857 1 1 2265 1 1 5201 1 1284 1 1 1482 5996 1 3393 3435 3105 1331 1 2489 1784 1 1 1563 1 2526 1 1 1 2365 2531 1 1 2820 1 1 4551 245.1006 *245.1012* C12 H20 Cl N S 1791 1 8433 8613 1 1 6409 6128 4407 3640 2818 2685 2693 3607 1 1377 6102 5991 4701 5675 6014 2370 2391 3112 1972 2047 1 2205 1 1 6789 6888 4522 6113 3363 3113 11421 7111 1307 7598 8077 9926 5864 6071 1729 2531 2620 2965 8181 2483 3872 2807 5177 4609 1 1 3547 1 8407 1130 3555 4216 5223 6582 4408 1113 2529 2981 4660 5616 4787 1 1814 2235 4147 1 4324 1 1269 1 6344 6849 1 1 9712 1 1709 1696 6489 6592 245.1012 *245.1341* 245.1341@1.2575477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2760 2782 1 1 1 1 1 1 1 1 1 1 245.1341 *245.1466* 245.1466@0.94901395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1088 1 1 1 1 1 1 1 1 1 1 1 1 1 1416 1 1 1 1 1 1 1557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.1466 *245.1628* Pinacidil + 4.4089837 6831 6974 7098 7251 7637 8532 10704 10374 7579 7766 11364 11789 6583 6288 10198 10592 8320 8671 9425 8842 3807 3875 8955 8954 6393 5940 8501 8989 5017 5944 6787 6416 10888 10715 1967 2067 6696 7996 3725 3756 4240 5319 10018 10088 6053 5940 13144 12886 9810 9406 4804 5408 10862 11243 11519 11250 3631 3805 5172 5820 7443 7995 6128 6460 4766 4370 6454 6205 6793 6564 5048 4853 8353 8925 6324 6161 5323 6103 9065 8583 4546 5228 10804 11303 4734 4146 15133 14619 4195 3479 245.1628 *245.1632* Pinacidil 10791 10461 17919 18533 16786 16991 27004 27972 29370 27858 25858 27342 11909 10293 13298 13418 11509 12184 16944 16002 10765 10520 13440 14404 10020 10542 12594 12379 10636 10780 14497 15637 18626 19509 6089 6345 15033 14538 7365 7465 12024 11171 21799 20886 12003 12495 17247 17011 13709 13240 8931 9184 19642 19723 17723 17110 9005 8980 11826 12557 20127 20980 8922 8821 13053 12605 15350 17261 10238 10451 9551 9958 16564 16655 10162 10858 13579 12805 18969 19628 8418 8002 15803 15889 11297 11579 27068 25812 8689 7920 245.1632 *245.1643* 245.1643@8.140457 1090 1319 1628 1791 1 1478 1529 1609 1 1291 1 1 1509 1412 1374 1595 1305 1242 1768 1620 1 1496 1229 1506 1942 1574 1321 1052 1002 1 1110 1263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1489 1042 1333 1096 1324 1665 1 1062 1353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.1643 *245.1681* 245.1681@0.9294944 1 1 2461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.1681 *245.174* Lys Val 15804 15087 11540 13923 15027 15129 23221 22716 15697 16322 12187 12761 17324 17277 17389 16967 18311 18352 19338 19616 17019 18345 23581 22112 8562 8481 11314 11027 18051 16730 21664 22221 16900 17956 15316 15196 37949 36489 23670 22697 18442 19213 18298 18566 25478 26106 26099 26477 22129 21395 18111 18280 21237 20236 16560 16177 14138 13606 26577 26486 22806 22605 20353 21834 14730 14895 8577 8801 17273 16619 28401 28701 14835 13834 17894 17393 17027 17172 19697 19430 23349 24741 17070 16106 22916 22585 11183 10349 30670 31286 245.174 *245.1774* 245.1774@4.957467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7391 7858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.1774 *245.1777* 245.1777@5.9634695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18924 17693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.1777 *245.9133* 245.9133@0.8371088 1 1 1 1 1 1 1 1 1 1 1 2497 1 1 1 1 1 1 1 1 1226 1 1 1 1 1 1 1 1 1 1 1 1 1305 1 1 1 1 1 1466 1 2475 1 2206 1 2014 2501 1 1 1 2088 1033 1 1 1811 1128 1 1 1 1819 1 1 1 1 2049 1 1 1 1 1 1 1 1 1118 1 1 1 1 1 2370 1 1139 2259 1 2412 1328 1 1 1 1 245.9133 *245.9181* C3 H3 Cl N2 O5 S2 2024 1 2340 1 1333 2226 2234 2453 2204 2519 2217 1 1977 2245 2242 2192 2091 2124 1959 2273 1 1 1993 2024 2090 1 2249 1885 2170 2247 2235 2483 1998 1 1996 1 2161 2017 2285 1 2314 1 2185 1 2026 1 1 3071 2267 1872 1 1 1 1911 1 1 2529 1985 1 1 2297 2127 1 1 1 1 1889 2163 2136 2096 2013 1917 1878 1 1841 1925 1932 2078 2162 1 2338 1047 1 1 1 1 1 2248 1962 1999 245.9181 *245.9288* 245.9288@0.81771904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5121 4817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2080 1 1 1 1 1 4928 1 1 1 1046 2342 1 1 1 1 1 1 1 1 1 5652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.9288 *245.9325* 245.9325@0.81701916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.9325 *245.9967* C15 H2 O4 1 1311 1 1140 1 1426 1 1 1 1 1370 1 1346 1 1 1 1 1 1 1257 1224 1248 1441 1265 1423 1 1349 1 1370 1 1364 1 1357 1 1167 1430 1 1557 1 1 1274 1669 1378 1421 1458 1 1 1431 2039 1 1 1403 1 1 1248 1396 1 1316 1512 1222 1 1189 1 1 1 1 1357 1484 1370 1 1338 1 1168 1 1 1397 1 1 1 1 1429 1491 1356 1 1299 1548 1 1 1 1 245.9967 *246.0523* 246.0523@2.2351038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1491 1 1 1 246.0523 *246.0544* 246.0544@0.8973813 1 1 1 1 1 5461 1 1 1 1 1 3403 5835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5729 5707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4475 1 1 1 2300 2236 1 2889 5007 4896 1 4039 5252 5963 4041 1 4681 4801 1 2502 1 3017 1 1 4341 1 2447 2911 4599 4641 1 1 1 1 3961 4131 1 4491 246.0544 *246.0613* 246.0613@0.9035164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0613 *246.0729* 246.0729@1.1760184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1044 1 1 1 1 1 1 1196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0729 *246.0836* 246.0836@1.0375057 1 4827 1 1 1 1 1 3508 1435 1566 1 1 1 6458 1 1 2626 1 1 1 1 3604 1 1 1 1 1 1 1225 1 1 4390 1 1 1 1 1 1 1 1 1 1 1 1 5506 3756 1 1504 1 1 1 1 1 1 1 1 1603 2743 2303 1166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2604 1016 1 1 1 1 1 1 1 1 1 1 1 246.0836 *246.0852* 5,6-Dihydrouridine 5216 1 9365 7841 1 1 3868 3262 1357 5778 2732 2933 6270 1127 6034 7187 2119 3881 6870 5943 5119 1818 7340 4780 4604 4177 3803 3794 1849 2875 6469 6216 3235 2860 3672 4227 7082 7058 7036 8016 6270 8156 5048 6024 1 1155 5346 1189 4545 5596 4329 4567 3702 3763 3043 3545 1886 2339 5632 7021 5144 5308 6051 4547 5260 5172 2903 3312 6519 5603 7605 8008 1910 2697 3498 3270 5105 2512 6224 6598 6898 5358 1 1720 6701 9032 2590 3309 6145 4179 HMDB00497 246.0852 *246.0881* 246.0881@1.1164021 1 1 1527 1661 1 1 3598 1 1 1 1 1 1 1 1 1 2504 2662 3170 3181 1 1 1 1 1 1 1 1 1 1 1 1 2517 2046 1 1 1 1 2056 2885 2543 2926 2777 2760 1 1 1 4992 1 1 1 1 1 1 1 1 1 1 1196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0881 *246.1* 246.1@1.2220359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1599 1 1 1 1 1 1721 1 1 1 1 1 246.1 *246.1052* 246.1052@1.0950389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2167 1 1 1 1 1 1 1 1 1 1 1 246.1052 *246.1215* 246.1215@5.190021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.1215 *246.1217* Asp Leu 20031 20713 18914 18735 8482 8206 22330 22257 20265 19802 13416 13226 27660 28541 19300 18497 16779 17079 26585 26675 10134 10867 19368 19108 17723 18362 16636 15763 9207 9908 14298 13617 22488 22050 19478 18834 18320 16970 27746 26314 26028 24688 27921 26716 14111 13868 28816 29748 24450 23782 21057 21235 30296 28778 15467 15202 24956 24284 28004 29094 33356 32822 16916 16571 18831 19013 17920 14650 21495 20622 21849 21690 20084 21004 25140 25000 26712 26439 17287 18432 14125 11632 32081 30932 28334 28688 14397 15263 21672 22325 246.1217 *246.128* 246.128@3.7362905 1257 2653 1957 2408 1788 2380 1720 2213 1944 1762 1859 1701 1955 1958 1 1811 1794 1 1 1536 1 1 1581 1 1 1388 1853 1 1905 1 1 1 1 1311 1409 1 1 1284 1 1 1468 1491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.128 *246.137* C14 H18 N2 O2 55767 56964 30502 31755 13480 12921 113885 112623 40903 38331 23936 22262 43640 43430 323377 321208 100219 100367 409650 393926 83732 82338 72996 78833 23983 23649 62978 61007 74096 72530 8422 9029 93725 93094 1 1 161762 161286 12487 13007 126856 122943 73615 70790 1 1 90389 89784 21924 21282 34066 33810 85408 89315 46500 47183 2682 2866 78121 61060 13209 12978 47957 45615 26196 25643 75215 76501 13864 14214 38729 37365 29574 29423 28783 29638 32931 32327 16295 15988 37179 35353 3379 3571 12668 12776 82173 81184 5148 5509 246.137 *246.2194* 246.2194@11.334123 3670 3486 2154 3706 3653 1 9345 9238 4441 4364 2556 2176 2779 2087 1 3232 3012 1 2844 1 8032 8001 1 2401 1674 3291 2191 3099 3306 2300 3101 1 1 1 3037 1 2173 2193 2743 2682 3151 1 1 1 3193 3209 3171 2804 1 3353 1783 1 2969 2050 1 1 2644 2506 6722 6868 12871 12501 1 1 4005 2375 7993 8406 5763 5191 1 2995 3120 1083 1 1 4264 3862 10107 9936 8613 13095 3735 2673 1 2466 4717 4560 7366 7494 246.2194 *246.2676* 246.2676@4.11631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3678 3526 1 1 5790 4515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.2676 *246.2718* 246.2718@4.112036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.2718 *247.051* 247.051@3.0206265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1532 1591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.051 *247.1005* 247.1005@1.0979867 1 1 1 1650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.1005 *247.1051* 4'-Hydroxyminoxidil 1 1277 1495 1 1 1 3290 3318 2163 2569 2353 1896 1710 1480 1 1 2042 2032 2830 3572 1358 1263 1 1 1 1 2277 1 1 1 1496 1537 2849 3240 1 1 1 1479 2498 2868 3266 3237 3563 3428 2317 2399 1636 1 1 1666 1 1 1 1 1 1 1 1 1091 1349 1 1167 1564 1499 1302 1 1 1 1317 1 1924 2523 1 1 1 1 1 1 2118 2351 1 1 1 1 1669 1670 1 1 1558 1547 247.1051 *247.9616* 247.9616@0.80003697 1 1 1 1 1 1 1 1 1 1 1033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1187 1270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.9616 *247.9925* C11 H11 Cl3 5655 6393 5122 4924 5413 5393 5597 4650 5885 5939 5922 6050 4771 4988 4922 5220 5510 5855 4271 4678 5622 5501 4945 4574 6180 5479 4667 4809 5380 5346 5213 5270 5245 5294 4541 4936 5610 5342 4631 4708 5340 5517 5203 4811 4303 4342 4992 5099 4878 5387 5023 4892 6846 5979 5258 5613 4891 4603 5777 5337 5849 5988 5216 5438 5067 5230 4766 4521 5219 5591 4272 4426 5512 5210 6112 5992 5362 5223 4685 4847 5325 4722 4931 4986 4866 4642 7278 7582 4784 5007 247.9925 *248.0536* 248.0536@3.6909754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1828 1 1 1 1 1 1 1 1 3468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.0536 *248.0899* 248.0899@1.189044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2862 2900 1 1 1 1 1 1 1 1 1 1 248.0899 *248.1004* 248.1004@1.0103298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5684 1 10686 1 1 1 1 84823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105519 1 1 1 1 1 1 1 1 1 1 1159 1 1 1 1 1 1 1 1 1 1 14740 1 1 1 1 1 1 1 1 1 1 1 1 1 248.1004 *248.1027* 248.1027@1.0283461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1182 1 1 1 1 1 1 1 1 1 1 2426 1 1 1 1 1 1 1 1 1 1 1 5451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1534 1 1 1343 248.1027 *248.1106* 248.1106@1.0640092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.1106 *248.1161* 248.1161@1.1080137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1811 1 248.1161 *248.1255* 248.1255@1.069024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.1255 *248.1385* 248.1385@8.403506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.1385 *248.1446* 248.1446@1.2454996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1435 1 1 1 1 1 1 248.1446 *248.1448* 248.1448@5.7919383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.1448 *248.1471* 248.1471@5.892852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.1471 *248.1476* C9 H20 N4 O4 9520 8656 14609 13449 5277 6370 9661 10269 15333 15077 10284 11202 8723 8380 12258 12474 9361 8910 9476 8871 11321 10620 8428 8156 14950 16546 12846 13429 9290 8171 7248 6896 7691 7426 11429 10898 9903 7901 15295 13727 12555 12518 11032 11587 8948 9144 8499 8478 7260 7923 9994 9101 10379 9135 9867 10107 11650 12850 12121 12293 11380 10537 7412 7483 10778 11148 6820 6303 9075 8513 9993 9278 10817 9421 11727 11937 13074 13600 22773 19280 9779 10759 14652 15125 9108 9558 8784 9577 8474 9416 248.1476 *248.1478* 248.1478@13.042718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.1478 *248.1492* 248.1492@14.305949 1 1 1 3981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1327 1 1 1 1 1056 1 1 1 1 1 1 1045 2222 1 1 1 1 1 1 1 1 1 1 1 1 248.1492 *248.1494* 248.1494@7.3832593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.1494 *248.1495* 248.1495@8.424337 2272 1 2245 1 1317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.1495 *248.1515* 248.1515@14.382175 1 1720 1 2512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1003 1 1 1 1 1 1065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.1515 *248.152* 248.152@4.191259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14735 9203 1 1 8387 1 1 1 8488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10130 1 1 1 1 1 1 1 1 1 1 248.152 *248.1631* 248.1631@9.673661 1 1 1 1 2716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.1631 *248.1676* 248.1676@9.634434 1 1 1 1 2773 3281 2041 2694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.1676 *248.172* 248.172@9.597791 1 1 1 1 1 1 3614 3795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.172 *248.1735* C11 H24 N2 O4 5800 4380 3086 5364 4442 4823 4145 4577 5118 4572 5687 4176 4495 4053 4646 4257 4631 3619 3852 4940 4800 5099 4680 4914 4030 5624 4527 4201 4635 4714 3448 4872 4188 5929 5053 4901 3900 4858 4690 4064 4203 5797 4099 4493 4993 5672 4448 4755 6211 4471 4875 5258 5206 5244 4072 3892 3961 4821 4375 4540 3531 5406 4273 4357 4577 4990 4622 4665 4116 4250 3495 3800 4919 3285 3921 3734 5030 4020 5498 4734 3507 4558 4292 4167 4108 3824 5005 5798 4815 4136 248.1735 *248.1749* 248.1749@7.2341394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1299 1 1 1 1 1 1 1 1 1 1635 1 1 1 1 1 1 1 1 1 1 1268 1 1055 1 1 1 1 1 1 1619 1 1 1 1169 1 1 1 1 1 1 1 1 1 1 1215 1 1 1 1 1 1 1176 1 1 1 1 1 1 1 1 1346 1 248.1749 *248.1779* 248.1779@7.2332587 1366 1 1 1 1 1375 1 1 1 1 1 1 1 1517 1 1 1 1 1 1 1 1 1 1 1 1160 1 1 1 1367 1 1 1 1 1 1524 1 1 1057 1 1 1130 1 1 1 1694 1 1 1 1 1 2001 1345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1024 1 1 1 1 1 1 1 1467 1 1 1 1 1 1 1 1 1199 1 1 248.1779 *248.181* 248.181@7.233933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1395 1072 1 1 1 1 1 1 1 1 1 1 1 1 1560 1231 1 1 1 1 1358 1 1 1 1 1 1 1 1 1 1 1 1 1 1208 1025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.181 *248.182* 248.182@8.688436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.182 *248.1842* 248.1842@5.2893963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3609 3249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.1842 *248.1892* 248.1892@8.691622 1 1 1 1 1 1 1133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.1892 *249.0329* 249.0329@1.2083993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1008 1563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1154 1118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.0329 *249.0513* 249.0513@2.967167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.0513 *249.066* 249.066@3.768364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1162 1 1 1 1 1257 1 1083 1290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.066 *249.0793* Cys Ala Gly 16679 16448 15856 15534 15320 16622 15513 16833 14216 14451 16014 15447 17062 16315 17576 16382 15652 16153 14577 14686 14999 16052 15448 16179 16559 17015 15669 14714 16386 16153 15445 15928 14476 16601 14871 14757 15562 17427 15361 15906 15572 14880 16256 15228 13209 16494 13869 12358 14033 13770 13834 14281 14653 14130 13949 14238 12486 14234 13290 14773 13327 14218 14169 15151 14081 15121 14596 12881 13415 14080 13986 14332 13775 15353 14680 14139 14583 14129 12808 14389 10641 13652 14107 13866 14450 13764 14594 14714 15140 13320 249.0793 *249.0811* 249.0811@13.206995 1 1 1 1 1 1 1 1 2635 3551 1 1 1 1 1 1 1 1 1473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4666 1 1 2641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4097 1 1 1011 1 1 1 1 1 1 249.0811 *249.0824* 249.0824@13.259308 1 1 1 1 1 1 1 1 1038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.0824 *249.122* 249.122@1.2445205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1283 1442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9911 9141 1 1 1 1 1 1 1 1 1 1 249.122 *249.1222* 249.1222@3.2455072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3755 4197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.1222 *249.1696* 249.1696@8.203023 1 6663 1 1 2156 1 6332 1 7223 1 1 1 1 1 9205 1 1 1 8104 11718 9694 1 1 1 7833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4522 1 1 1 2796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6124 1 1 1 4127 1 1 5887 1 1 1 1 1 1 1 1 1 1 1 1 249.1696 *249.17* 249.17@8.095437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1324 10104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.17 *249.1703* ALPRENOLOL 25090 9397 50738 1 23843 1301 14424 17019 22230 34452 1 1 1 1 9024 33086 28123 31442 17405 2285 1914 7778 1219 1 5050 1 30845 1278 24797 34393 1 1 1336 1 15559 1 10439 1 1223 1 1546 1 1 6628 1 1451 37246 13650 1 1 16917 1 1 4690 1048 1 1 4962 11397 1 23145 25023 8936 1 1 1 1 22025 22251 1 13234 1 32058 33931 16897 11763 1 10742 9271 1 1 1 45910 1 1 16219 1 1 1121 7439 249.1703 *249.1703* 249.1703@8.179642 1 15668 1 1 6162 1 13548 1 8677 1 1 1 1 1 11254 1 5635 1 9506 8672 10320 1 1361 1 12809 1 3597 1 6410 1 1 1 1 1 1 1 1 1 7004 1 58390 7146 1 4451 1 154158 1 3690 1 1 6064 1 1 1 9482 1 1 1 4163 1 1258 1 9782 1 1 1 1 10899 1 1 7298 1 1 1 11049 19659 1 8921 3700 1 1 1 1 1 1 10603 1 1 1164 6731 249.1703 *249.1711* 249.1711@4.914964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.1711 *249.1714* 249.1714@6.092371 1 1 1137 1087 1 1 1 1 1 1 1058 1374 1 1 1 1 1 1 1 1 5296 5850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1446 1663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.1714 *249.1729* 249.1729@4.851968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55179 54602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.1729 *249.9444* C7 H6 O4 S3 1343 1 1100 1 1025 1217 1 1 1 1294 1 1 1 1 1 1090 1 1 1 1 1 1232 1251 1133 1 1215 1 1121 1 1 1128 1 1242 1215 1 1156 1 1 1219 1 1084 1315 1 1210 1219 1 1 1214 1 1669 1298 1 1 1 1 1283 1 1 1 1381 1 1399 1438 1007 2145 1 1131 1136 1 1089 1 1 1 1 1 1246 1099 1283 1 1 1 1 1864 1501 1151 1312 1 1 1 1187 249.9444 *249.9909* C8 H8 Cl2 N2 O3 1137 1 1 1 1 1513 1360 1 1 1 1730 2167 1 1499 1426 1297 1682 1 1574 1 1 1447 1073 1 1 1729 1 1487 1366 1757 1552 1418 1 1667 1 1 1 1 1192 1372 1436 1818 1 1 1 1 1 1 1449 1457 1 1 1 1 1509 1388 1395 1359 1683 1600 1933 1978 1 1642 1 1 1651 1 2036 1 1268 1225 1 1625 1749 1766 1697 1 1589 1474 1 1 1140 1462 1 1 2396 1968 1470 1 249.9909 *249.9927* 249.9927@9.2063055 1 1152 1233 1 1 1 1068 1 1 1 1 1 1 1 1436 1447 1 1 1 1208 1 1 1 1400 1869 1 1 1555 1412 1271 1009 1 1 1256 1 1 1 1 1 1 1 1 1 1290 1336 1406 1 1 1 1 1 1195 1374 1 1 1 1006 1 1471 1374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1111 1 1 1 1 1 1 1 1 1 1 249.9927 *249.9937* 249.9937@0.8786 1 1830 1435 1389 1 1 1 1576 2026 1674 1 1 1 1 1 1 1 1570 1 1456 1399 1 1 1 1787 1 1 1 1 1 1 1 1598 1 1310 1618 1350 1 1 1 1 1 1733 1716 1 1609 1915 1571 1 1 1653 1751 1807 1736 1 1 1 1 1 1 1 1 1487 1 1828 1 1 1379 1 1 1 1 1475 1 1 1 1 1306 1 1 1276 1 1 1 1 1324 1 1 1 1 249.9937 *250.0002* 250.0002@0.88199437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.0002 *250.0404* C19 H6 O 2234 2987 2527 2639 2314 2703 2589 2296 2520 2709 2339 2300 2523 2663 2531 2683 2493 1 2633 2497 2315 2675 2187 2580 2546 2462 2708 2580 2305 2618 2412 2962 2727 2429 2080 2495 2276 2392 2170 2526 2427 2628 2593 2431 2628 2883 2503 2648 2694 2295 2446 2643 2312 2392 2439 2152 2415 1 2674 2570 2713 2258 2664 2618 2059 2297 2242 2327 2422 2504 2132 2411 2116 2392 2431 1 2222 2640 2269 2127 2277 2094 2374 2072 2174 2358 2360 1925 2119 2494 250.0404 *250.0483* 250.0483@3.3971493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1214 1 1 1 1 1 250.0483 *250.1071* 250.1071@0.9984745 1 1 1 1 4192 4105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.1071 *250.1219* Ubiquinone 4543 4896 4885 4334 4955 4556 4747 4625 4487 4412 4460 4819 4938 5062 5452 4565 4271 4696 4665 4353 4776 4259 4864 4692 4519 4916 3629 4790 4800 3815 4365 3700 4398 4578 4551 3632 4681 4362 4591 3760 4410 3986 3950 3687 4236 5071 4360 5929 5288 5798 6003 5910 5300 5051 5966 5104 4006 5078 4977 5212 4473 5286 5107 5134 4967 5167 5103 4266 5253 5213 4887 4736 5627 5307 5155 5722 5325 5328 5036 5481 5283 4962 5282 5285 4303 4158 4273 4887 3790 5558 HMDB02012 C00399 250.1219 *250.1536* 250.1536@0.7853298 1 1 1 1646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2270 1995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.1536 *250.1544* 250.1544@6.3930187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2293 1975 1 1 1 1 1 1 1 1 1 1 250.1544 *250.1674* 250.1674@3.5632463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1727 1512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.1674 *250.1679* 250.1679@3.74481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5090 3880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.1679 *250.1684* 250.1684@5.4352784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91965 88552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1022 1 1 1 1 1 8313 6557 1 1 1 1 1 1 250.1684 *250.1687* 250.1687@5.2699385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6439 6539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9865 10664 1 1 1 1 1 1 1 1 1 1 1 1 250.1687 *250.1694* 250.1694@3.9403806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1547 1403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.1694 *250.1729* 250.1729@8.227043 1 1 1 1 1 1 5551 1 1 1366 1 1330 1 1744 1 1 1 1 1793 2966 1 1 1 1 1 1 9798 1 1 1756 1 1 1 1 5687 1 1 2649 1 1 1 1 1656 5729 1 4243 1 2392 1 1 2856 1733 2811 1 1 1986 1 1 1 1494 4369 1 1 1 1 1404 1 1 1 1 4310 1 1 1 1732 1 1 1 1 1 4624 1 2333 1 1 1 1 1947 1563 4718 250.1729 *250.1729* 250.1729@8.253888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1988 1 250.1729 *250.1754* 250.1754@5.4791803 1 1 1 2864 1 1 1 1 1 2113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3559 1 1 1 1 4165 1 1 1 1423 1 1 1 1 1 1 1146 1897 1 1 1 1 1 1 1 1 1 1 1 1 1147 1 1 1 2173 1 1566 1 1 1 1 1 1 1 1 1 1 1 1 1 9622 1 1 1722 11898 11538 1 5547 1 1 7981 2322 1 1 250.1754 *250.176* C12 H26 O5 + 5.575937 1 1 1772 1720 2208 1 1 1630 1 1286 1 1616 1 1465 1 1893 1 1475 1 1 8311 8434 1 1 1 1378 1539 1 1362 1613 1 1 1731 8625 1 1222 1932 1361 1 1 1584 1 1 1303 1748 1608 1 1636 1 1 1 1908 1315 1550 1 1 1803 1 1 1574 1 1409 1782 1588 1722 2347 1 1 1 1 1 1 1 1 1 1397 1 1 4460 19153 1 1 5377 1 6023 1 1666 1 1573 1218 250.176 *250.1776* C12 H26 O5 8637 8406 6746 6291 8316 10887 8420 6259 7100 5147 7634 6481 9236 7472 9010 7572 6709 6961 5801 7669 1 1 7964 8230 8920 7566 4350 8218 7592 9253 1 1 8217 1870 9095 7060 7359 6579 9022 9169 7255 8379 6570 4719 7357 8338 8206 6359 6568 7919 4905 6640 6533 5200 7761 1996 5293 7760 1 7110 5143 6385 4646 6936 8628 5580 7606 8484 6367 8543 6458 4747 8224 5720 6260 6167 1 5771 17745 5620 1 1 1 1 1380 7118 1 1548 4809 5936 250.1776 *250.1845* 250.1845@13.078105 1 1 1 1 1 1 1 1 1 1 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.1845 *250.1904* 250.1904@13.075613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1226 2138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1938 1 2247 1 1 1 1 1 1130 1 1 2408 1 2331 1 2168 1 1 1 1 1 1 1 1 1 2221 2956 1 1 1 250.1904 *251.0599* 251.0599@5.1564994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3584 1 1 1 1 1 1 1 1 251.0599 *251.1043* 251.1043@0.88668424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4387 4376 1 1 1 1 1 1 1 1 1 1 251.1043 *251.1128* 251.1128@0.88375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1421 1075 1 1 1 1297 1107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 251.1128 *251.1221* 251.1221@0.8839989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 251.1221 *251.1246* 251.1246@0.8846615 1 1 1 1 1225 1 1 1183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 251.1246 *251.1302* 251.1302@7.467907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2345 2301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 251.1302 *251.1343* 251.1343@7.5623198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4344 4441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5636 1861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 251.1343 *251.1421* 251.1421@5.3273883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13575 12687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11159 11929 1 1 1 1 251.1421 *251.1438* 251.1438@5.3789225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 251.1438 *251.15* 251.15@6.7462215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1262 1 1 1 1 1 1 1 1 1 1 1 1 1203 1 1188 1 1 1 1305 1 1 1 1 1 1 1280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 251.15 *251.1774* 251.1774@5.5255413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1297 1 1 1 1 1 1 1 1 1 1 1 251.1774 *251.9438* 251.9438@0.79133034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1344 1039 1 1 1 1 1 1 1 1 1 1 1 1 1 1078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 251.9438 *252.0593* 252.0593@3.392479 1 1 1 1 1 1 1228 1 1 1 1 1 1 1204 1 1 3460 3340 1074 1 1 1 1 1 1 1 1 1182 1219 1 1192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1425 1 1 1 1 1283 1212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1244 1 1 1 1 1 1 1485 1 7286 6958 1308 1 1 1 1 1 1 1 1 1 252.0593 *252.1158* 252.1158@3.4992232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69839 71988 1 1 1 1 1 1 1 1 1 1 1 1 252.1158 *252.1194* 252.1194@0.9410331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1856 1 1 1 1 1 1 1 1 1 1 252.1194 *252.1214* Pro His 12289 11503 16335 17244 14687 12250 12975 13304 11993 11736 14015 11639 27376 26863 12279 10685 112615 116157 13562 13554 10537 8890 12129 9557 11259 12447 13040 12711 18560 19982 11250 12463 8402 9458 12171 12018 13150 10720 11367 10881 10422 9143 15137 17480 13331 11496 10339 11021 1 10555 8245 9456 11214 10716 8414 4592 9440 7964 9516 10328 18295 18998 8979 9782 10581 10005 6552 8700 11374 11280 11501 11704 11024 10101 10237 8426 12066 10799 79487 86229 14338 14075 8831 8095 10429 10709 4630 9236 12747 13552 252.1214 *252.1472* 252.1472@5.0889616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.1472 *252.1555* 252.1555@4.3679256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2327 2755 1 1 1 1 1 1 1 1 1 1 252.1555 *252.2066* 252.2066@10.989414 1 1 1 1176 1 1 1 1 1 1333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.2066 *252.2074* 252.2074@10.862121 1 1 1 1245 1 1 1 1 1 1273 1 1 1 1 1 1 1 1 1150 1 1 1 1061 3413 1175 1 1 1 1 1 1 1108 1022 1022 1 1 1 1 1 1 1 1 1 1 1 1 2835 1238 1 1 1 1 1 1 1 1 1 1 1431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.2074 *252.2079* 6,9-hexadecadienoic acid 2651 1508 1 1686 1141 1 1 1085 2138 2740 1 3002 1 1 3175 3113 1 1594 2933 1332 2111 1 1030 1885 1514 1203 1080 1 1004 1 1206 2911 2737 1458 1 1231 1535 1 1033 1033 2678 1075 1244 2457 1008 2886 1358 2820 1 1 2824 2475 1 2514 2573 2524 2878 2442 2533 1 1 1 1 1 1 2368 2379 2475 1 1 1 2622 2571 1 2801 1184 2547 1 1 2112 1 1 1 2126 2709 2616 1 1 2176 1 252.2079 *252.9762* 252.9762@0.7772299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1684 1154 1204 1124 1035 1243 1167 1678 1 1077 1110 1 1 1 1290 1 1 1 1441 1250 1 1 1 1 1 1 1 1 1018 1 1 1 1 1 1256 1716 1 1 1198 1081 1 1 1 1 1 1 1603 1069 1 1143 1 1 1 1 1555 1498 1 1 1 1 252.9762 *253.1062* 253.1062@3.0176444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3482 3433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.1062 *253.1075* 253.1075@4.593296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20354 19167 1 1 1 1 1 1 1 1 11720 11139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.1075 *253.1118* 253.1118@1.2700118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.1118 *253.1318* 253.1318@3.8065894 2353 2111 1 1 5912 6102 1 1 1 1 1450 1 1 1 1 1 1 1 3169 2843 1 1 1 1 1 1 1 1 1 1 3148 2636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1159 1517 1 1243 1374 1395 1 1 1 1 1507 1440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4896 4796 1 1 253.1318 *253.1321* 253.1321@6.6493125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2393 2514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.1321 *253.1405* 253.1405@3.976016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4671 3419 1 1 1 1 1 1 1 1 1 1 1607 1744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.1405 *253.1456* 253.1456@6.9377723 1 1 1 1 1 1 1 1 1 1 1584 1739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1643 1426 1 1 1 1 1 1 1 1 1505 1601 1 1 1 1 1 1 2718 2365 1 1 1 1 1 1 1 1 1 1013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.1456 *253.1521* 253.1521@4.0947895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1122 1475 1 1 1 1 1 1 1 1 1 1 253.1521 *253.1522* 253.1522@4.0917854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1319 1099 1 1 1 1 1 1 1 1 1 1 253.1522 *253.1552* 253.1552@3.1091504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1120 1 1 1 1 1 1 1 1 1 1 1 1 1 253.1552 *253.1597* 253.1597@6.9384785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1235 1 1 1 1 1 1 1 1 1 1 1360 1413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1806 1 1 1 1 1 1 1 1 1 253.1597 *253.1634* 253.1634@7.5084124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1317 1758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.1634 *253.1666* 253.1666@8.143497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1451 1493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.1666 *253.1668* 253.1668@4.108161 2256 2434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2547 2888 1496 1363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.1668 *253.204* 253.204@9.269143 1 1 1 1 1 1 1205 1252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.204 *253.8168* 253.8168@0.85248613 42311 42597 41261 13137 39769 41695 38426 38387 40996 39356 38720 38371 41171 1 41663 41595 40600 40225 37966 38984 1 11579 41436 15150 38319 40396 41924 42224 40050 40903 40442 37583 13378 13911 39729 40833 39353 40729 42384 41235 39772 41140 39537 40153 40568 1 36724 37095 42386 15138 38277 39006 41476 1 37882 1 23115 40092 40423 41096 37264 36809 38221 38324 38828 39274 39086 39756 37946 38414 40487 40919 39148 37923 1 40145 25264 38813 38089 38758 39064 39545 41495 40181 38674 38105 1 37454 38180 39066 253.8168 *253.8171* 253.8171@0.8440686 1 1 1 28040 1 1 1 1 1 1 1 1 1 41532 1 1 1 1 1 1 40286 28723 1 25701 1 1 1 1 1 1 1 1 27819 27124 1 1 1 1 1 1 1 1 1 1 1 39686 1 1 1 27268 1 1 1 40523 1 37579 17148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39208 1 13427 1 1 1 1 1 1 1 1 1 36902 1 1 1 253.8171 *253.9741* 253.9741@0.8540009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1552 1 1 1 1525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1377 1 1 1 1 1 1257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.9741 *253.9755* C8 H6 N4 S3 6714 5610 5212 5222 6317 4996 5113 5941 6068 4994 5487 5610 5558 5278 6411 5864 5326 5380 4430 5671 1403 6005 5479 4601 5546 6740 5509 4964 6771 5812 5121 5418 4386 5660 5022 4874 4299 5794 5962 5205 5762 5416 6238 4805 5612 5278 5501 6200 4478 4387 5343 4279 4692 5170 6057 6537 5185 5063 5222 5007 5789 4960 5968 4742 5194 4877 5492 5170 5639 4752 5211 5079 5897 5354 5158 5513 4756 4807 5994 5024 5275 4807 4123 4705 4435 3847 6053 4489 4869 5444 253.9755 *253.9763* 253.9763@0.8508654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4946 1 1 1 1 1 1 1402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1968 1 1 1 1 1369 1031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1389 1 1356 1 1 1 1 1 253.9763 *254.0383* 254.0383@0.98794806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.0383 *254.0906* 2-Hydroxyfelbamate 10377 10009 12117 11147 8493 9570 15488 13712 12591 11942 8511 9606 10617 11266 8172 9224 13147 13339 15308 14512 11489 11532 13427 13279 10349 9641 8335 8048 12835 8937 8878 8747 10629 9735 11870 12632 18208 19134 12935 13462 13718 12756 15628 14434 16325 15131 15293 15030 12469 11591 16073 15699 14161 15142 15299 13923 10844 12267 18024 20217 12454 12304 17798 15423 12086 12076 8933 8077 12095 11008 17328 16358 10142 9391 6214 5012 14226 14082 10950 12968 14278 13955 13210 12498 13797 14904 5299 3945 15394 16223 254.0906 *254.0912* 254.0912@1.1270123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.0912 *254.0939* 254.0939@1.121014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1530 1 254.0939 *254.0961* 254.0961@4.5124235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1148 1292 1 1 1 1 1 1 2583 3189 1215 1393 1414 1109 1 1 1 1 1 1 1 1 1 1 1 1 1127 1 1207 1183 1 1 1 1 1 1 1 1 1 1 1 1 1 1156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1485 1 1 1020 1 1809 1442 254.0961 *254.0964* 254.0964@4.3580155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.0964 *254.1223* 254.1223@1.0814985 1 1008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.1223 *254.1283* 254.1283@1.0782332 1129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1319 1259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.1283 *254.1348* 254.1348@1.0774984 1 1 1 1 1 1 1 1 1338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.1348 *254.1366* His Val 2049 1765 1570 1506 1674 1464 2361 2724 2359 2133 2270 2206 3429 3132 2004 2205 2131 2051 3039 3044 3189 3115 2992 3318 1 1174 2891 2659 2087 1778 3228 3596 2847 3093 2782 2971 3554 3984 3419 2889 2992 2939 2553 2621 3256 3003 4270 3879 4757 4794 4929 4082 3951 3577 2026 2184 2281 2456 3969 3730 8658 4162 2599 2983 2170 2250 5489 5815 2559 3145 2457 2711 1965 1777 2180 2057 2703 2238 1951 1636 3569 3546 2716 2731 5470 5624 1369 1655 3755 3817 254.1366 *254.15* 254.15@8.793693 1 1 1074 1 1 1013 1098 1013 1 1 1 1 1 1155 1127 1 1 1 1 1 1 1 1202 1303 1 1 1 1 1418 1126 1776 1 1 1 1186 1487 1189 1231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.15 *254.1531* C15 H18 N4 6598 6620 10383 8477 8674 8930 8190 9028 8288 8914 4592 5359 7566 7967 10489 10578 10437 5441 7665 8104 6575 3055 7014 6830 8500 9030 1372 4243 4293 5242 9546 10011 7840 6739 9033 8581 9896 9685 5323 5016 5394 6152 8259 8814 8440 8942 9374 10021 7917 7397 7804 9128 8884 8509 5819 6414 9622 9932 10292 9542 9308 9754 7454 8342 12086 11660 10588 9960 11297 11346 7425 7499 7360 3373 7845 7488 7566 8172 9470 9157 8050 8384 6440 6651 6088 5834 11800 11251 7792 8560 254.1531 *254.1534* 254.1534@7.819772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1497 1863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.1534 *254.1555* 254.1555@8.50633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.1555 *254.2214* 254.2214@11.848045 1 1449 1 1 1 1 1 1 1 1 1 1 1 1615 1 1 1 1 1 1 1 1 1 1 1 1 1459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.2214 *254.222* 254.222@13.633387 1 1 1 1 1831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.222 *254.224* 7-palmitoleic acid 3664 3095 2982 3669 2988 2651 2672 3429 2964 4262 2851 2726 2039 2754 2717 3476 2316 3242 2871 2064 2417 2905 2304 2605 2441 2885 1945 3164 2087 3108 2477 2623 2575 2533 2979 2074 2944 1 2831 2911 2807 2614 2191 2866 2572 2682 2756 2193 3017 3541 2696 2208 3937 2924 1 2212 3473 2440 2768 2423 1911 3009 2195 2243 2367 3175 2494 2603 2344 2495 2410 2511 2695 2137 1643 2119 2249 2655 1637 3154 2021 2475 1728 1369 1786 2576 2370 3587 3006 1855 254.224 *255.0479* 255.0479@2.9781232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1854 2261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.0479 *255.085* 255.085@1.192507 1 1 2575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.085 *255.0853* C10 H13 N3 O5 3142 4575 1 3121 2831 2604 4898 5795 5540 5362 5135 5037 6665 6754 6523 5569 4698 4733 5392 5897 3527 3147 3517 4465 2824 1996 3142 4010 3368 4360 4264 6368 5072 6837 3611 5420 5552 5030 7350 7094 10589 5820 4755 4961 4168 3700 4529 3649 3651 2798 5664 5119 6016 6079 3828 1814 2421 1877 4988 6308 4120 3843 3402 1950 3217 2510 4015 3184 5363 5144 3951 4520 3967 4177 4307 3692 3942 4695 4548 7079 3037 4426 3572 3768 3820 3025 5010 6840 5132 5601 255.0853 *255.086* C11 H9 N7 O 3407 4336 2490 2697 1966 1998 11059 10734 5809 6402 3074 3461 8477 8696 5959 6856 7508 7867 8469 8367 4273 3109 5811 5756 2120 4532 5021 2694 3637 4051 4875 4641 7208 4723 4220 4785 7070 7119 5180 6190 6038 9348 6128 4227 5302 4333 5781 5627 1701 3063 4601 3951 7993 8037 3323 3560 2287 2312 6775 7528 4760 4248 3632 3010 2684 2755 3369 3732 7015 7482 6056 5788 4216 4056 2833 1361 4458 4315 7583 5602 4424 5631 2894 3457 4074 3992 3981 4041 6546 6344 255.086 *255.0879* 255.0879@4.11779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2522 2012 1 1 1 1 1 1 1 1 1 1 255.0879 *255.0911* 255.0911@1.0339613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.0911 *255.1033* 255.1033@5.429735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3136 2788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195671 193382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.1033 *255.1036* 255.1036@5.2439857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99904 99779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2358 4754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.1036 *255.1071* 255.1071@4.2695346 1 1 1 1 1 1891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1004 1 1 1 1 1400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.1071 *255.1115* 255.1115@3.3151479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1291 1 1 255.1115 *255.1643* 255.1643@6.8220124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11512 11117 11620 9187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22143 22168 255.1643 *255.1668* 255.1668@1.275007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.1668 *255.1674* 255.1674@0.734504 1 1 1 1 1 1 1 1934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.1674 *255.168* 255.168@3.874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.168 *255.1686* 255.1686@4.58403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.1686 *255.169* 255.169@9.380384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.169 *255.1743* 255.1743@5.918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.1743 *255.2566* C16 H33 N O 5879 5017 6363 5192 5883 6491 5683 7025 5952 4334 6880 5307 6547 5429 5845 6035 6595 3928 5077 6748 4545 4151 5913 5265 5345 5764 4940 6618 4281 5654 5965 5800 5260 5738 4836 4775 5063 5991 5781 5853 5610 5217 5065 5047 5862 6145 4046 5243 5822 5807 4970 5818 5874 5967 5574 5453 5303 4818 5645 5720 5306 6031 6267 4884 5493 6244 5983 5741 6199 6016 5549 5384 5973 4852 6134 5404 5355 5624 6314 5866 6326 6283 5352 5532 5758 4714 5673 5096 5146 6023 255.2566 *255.2591* cis-11-Hexadecenal 1786 1 1929 1693 1 1757 1881 1322 1 1 1721 1 1831 1 1323 1 2145 1 1 1450 1 1 1706 1955 1 1312 1270 1200 1 1885 1291 1745 1614 1 1577 1 1 1846 1795 1274 1 1 1 1 1934 1706 1 1379 1673 2446 1 2056 1913 1815 1 1549 1 1831 1733 2080 2098 1698 2000 1952 1 1726 1 1665 1 2088 1282 1946 1 1 1564 1723 1 1724 1792 1 1743 1516 1500 1 1630 2077 1080 1934 1904 1 255.2591 *255.2612* 255.2612@12.786898 1 1 1 1 1801 1 1 1 1694 1 1 1228 1 1885 1 1 1 1 1 1 1775 1 1 1 2246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1290 1 1 1 2108 255.2612 *255.2921* 255.2921@11.109947 1 1 1917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2071 1 1193 1 1 1 1 1 1 1 1 1 1 1 1129 1 1 1 1 1 2227 1 1 1 1 1 2097 1 1 1 1 1 1 1 1 3459 1 1 33629 3576 1 2346 1 1 1 1 1 1 1849 1 1 1 1 2166 1 1 1 1 1 1 2027 1 1 1 2095 1 1 1 1 1 1 1 1 255.2921 *255.2926* C17 H37 N 46247 48609 49230 50692 50391 45392 48084 49503 50293 47804 49317 48295 45855 47091 50883 46752 44716 45618 46393 47828 45016 46753 47744 45914 51083 47141 45924 45937 46547 46789 49005 46590 45967 47536 50591 47306 48515 45749 46494 48493 49281 44766 47387 45941 46420 41482 38945 39548 34724 33999 33009 33268 24484 33847 35001 2280 28336 34304 31719 35863 33459 34390 35155 33431 35344 34957 34470 33982 32941 35400 32939 32717 33895 33326 36515 34776 34206 33823 32984 32538 36257 33381 34187 32437 34651 34176 34699 34091 33646 34219 255.2926 *255.2929* 255.2929@11.117025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.2929 *255.3027* 255.3027@3.7358556 13364 1 14664 13439 6490 1 13184 11706 13041 11589 13776 13211 10949 14833 9495 9687 14256 15645 12529 13071 12217 10798 11892 14571 15490 14075 14171 15734 13208 10516 1 14528 14936 12915 15388 11505 15211 12330 12031 15436 15904 14345 12567 16881 11507 1941 7702 1 7303 1 7559 1 1 7582 1 1 1 1 1 1 1 1 1 1 1 6785 1 1 1 1 1 7124 7762 6080 1 1 1 1 11161 8433 1 7619 1 6442 1 1 1 1 1 1 255.3027 *255.8138* 255.8138@0.8504377 52243 53022 52871 53843 52993 52528 50294 49083 52041 51709 50261 35667 53476 18860 54014 53709 51829 51406 49429 33505 52285 50683 55121 52320 49760 52063 52784 52640 52717 52523 36103 50321 53574 52589 28252 52816 50372 51884 53504 52966 51010 50396 51007 51047 50188 51579 21419 48132 52955 54071 50678 50522 53249 51309 48741 47561 51616 51015 51766 52082 47422 48807 48748 50610 51029 49507 34744 50784 50053 50348 52433 52119 50482 49553 52552 51328 51075 50897 48438 49534 50847 51007 52110 52168 48410 49190 35208 50097 50292 49588 255.8138 *255.8141* 255.8141@0.8597605 1 1 1 1 1 1 1 1 1 1 1 15728 1 33629 1 1 1 1 1 16137 1 1 1 1 1 1 1 1 1 1 14423 1 1 1 23551 1 1 1 1 1 1 1 1 1 1 1 26481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14379 1 1 1 255.8141 *255.932* C9 H4 O3 S3 1421 2039 1468 1133 2131 1 1 1849 1181 1859 1864 1 1 1535 1626 1434 1409 1369 1 1724 1 1 1573 1285 1 1934 1710 1785 1889 1115 2187 1612 1 1296 1908 1202 1 1330 1766 1 1109 1815 1420 1490 1404 2013 1786 1186 1214 1 2056 1259 1 1873 1345 1857 2688 1 1543 1393 1073 1212 1 1 1 1904 1 1 1 1128 1 1003 1 1 1626 1 1773 1120 1369 1 1 1 1007 1 1511 2320 1354 1971 1454 1319 255.932 *255.9355* 255.9355@0.81400967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.9355 *255.9933* 255.9933@0.77275336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1731 1 1 255.9933 *256.0504* 256.0504@7.3405414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7592 6265 1 1 1980 1567 1 1 1 1 1 1 1 1 1712 1 1 1 1986 1 1 1 1 1 1 1 1 1 1708 1 1 1 1 1 1 1 1 1 1 1578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1952 1 1 1 1 1 1 256.0504 *256.0625* 256.0625@5.131709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14537 18542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.0625 *256.069* 256.069@1.0037688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1197 1 1 1 1 1 1 1 1 1 1 1 1 2761 1 1 1 1860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2992 256.069 *256.0712* ISOLIQUIRITIGENIN 1 3762 1 1261 2866 1934 2094 3983 4414 4091 1 2089 1 1 3538 1 3737 2806 1 1 1 3559 3760 1 1437 1724 2541 2156 1482 2623 1855 2716 1742 1187 3099 2531 2880 1435 2649 1 3393 3316 2107 1636 4615 4459 3887 4599 1 1 1 3511 1762 3452 3754 3299 1 1285 1573 1 2939 1496 1 2979 2979 3021 1 1 2009 1250 1775 2167 3024 1936 1 1 2784 1687 3099 3337 1 2636 1 1 2761 1 1 1730 4430 1497 256.0712 *256.0761* 256.0761@1.039985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.0761 *256.0915* 256.0915@1.1729901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.0915 *256.1038* 256.1038@4.0070868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1038 *256.1048* 256.1048@2.976174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8867 256.1048 *256.1058* 5-Ethyl-5-(1-methyl-3-carboxypropyl)barbituric acid 4186 7789 8734 8509 6737 7279 6131 10040 6584 6592 9022 9899 9103 10614 9836 4925 5005 5851 13136 12722 5737 10210 12409 8526 7363 4560 9052 4645 4947 9217 13448 8941 11533 10403 12394 6964 17945 15356 16329 14038 16390 15188 11088 10691 1 12461 15043 9291 10816 5465 11569 14949 17143 15791 7392 6191 3582 7726 16306 10126 7812 12191 6358 13709 5011 10981 5552 5170 9520 6108 15057 15387 8488 8716 9881 11178 6218 11657 9059 7738 7212 6128 8996 8371 9492 9159 5175 4205 9024 3126 256.1058 *256.1212* 256.1212@1.2175258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2535 1 1 1 1 1 1 1 1 1 1 256.1212 *256.1248* 256.1248@3.652483 1 1 4140 4480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26150 27463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1248 *256.1349* 256.1349@1.1828356 1 1 1 1 1 1 1064 1 1 1 1 1141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1484 1668 1 1 1335 1424 1 1 1 1020 1316 1481 1029 1122 1 1 1 1 1176 1118 1 1 1 1139 1 1 1 1 1 1 1 2858 1 1 1559 1119 1 1 1 1 1 1 1 1 1 1 1 1 256.1349 *256.1384* 256.1384@1.1840235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2449 1 1 256.1384 *256.1398* C8 H16 N8 O2 1275 1411 4351 4736 1 1 2762 3773 2288 2392 4807 4609 1143 1286 1939 2038 1464 1518 3492 2922 1534 2062 1 1 1 2977 1 4352 1226 1 1352 1 1 1 1 1191 3112 2227 3684 1 3830 4051 1423 1991 1015 1446 2115 2247 1471 1424 1 1 2019 1745 1185 1680 2137 2022 1 1848 1 4219 1488 1431 2121 1720 1513 1539 2250 2100 3804 3776 3788 3557 2926 2795 3254 3800 24455 24637 1 1472 3512 3713 1558 2054 1 3834 1542 1 256.1398 *256.1454* 256.1454@0.91499114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1454 *256.1502* 256.1502@1.1841233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1502 *256.1513* 256.1513@1.014555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1165 1 1207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1513 *256.1526* 256.1526@0.90935725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5161 8633 2047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1526 *256.1538* C11 H20 N4 O3 1 1464 3233 3077 1 1 2732 2877 1 1 9808 8775 2323 5257 8572 8504 10707 12573 11623 12299 1 1 1992 2138 15468 16553 3292 3448 1 1 1661 5238 29507 28083 21181 21874 21226 21596 26884 26736 9800 9137 1 1 1 1 12134 13971 17413 16935 16808 15480 23185 21441 3044 3308 1 1 1 1 4610 4617 1 1 1 1 19589 19434 4499 4471 1311 1 1 1 5004 4066 1712 2984 3386 3605 12648 11384 20918 20898 2677 2531 29595 30754 23827 23131 256.1538 *256.1547* 256.1547@1.2801409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1547 *256.1552* 256.1552@0.8112116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13573 19842 4680 4322 2494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1552 *256.156* 256.156@0.85000175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.156 *256.1607* 256.1607@4.9756956 1 1 1 1 1 1 1 1 1 3005 1 1 4281 3618 1 1 1 1 1 1 2301 2603 1 1 1 1 1 1 1 1 1 1 1 1 3396 3291 1 1 1 1 1 1 1 1 1 1403 1 1 1 1 1 1 1 1 1 1 1569 1783 1 1 1467 1 1 1 1 1 1 1 1 1 1 1 2333 1302 1 1 1 1 2386 2842 1 1 1 1 2706 1 1 1 1 1 256.1607 *256.1628* 256.1628@4.972376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1575 1 1 1 1 1 1 1905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1628 *256.1704* 256.1704@5.915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1704 *256.1707* 256.1707@3.849313 1127 1 1 1 1 1 1231 1 1321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1086 1 3473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075 256.1707 *256.2942* 256.2942@11.051577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1217 1 1413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.2942 *257.0218* 257.0218@4.2232804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4468 4223 1 1 1 1 257.0218 *257.1019* 257.1019@1.234606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4413 2888 1 1 1 1 1 1 1 1 1 4497 1 1 1 1 1 4651 4752 1 4266 1 1 3966 1 1 1 3905 1 3070 1 1 1 3564 3832 1 1 1 7416 1 4469 1 1 1 1 1 1 1 1 8304 1 1 1 1 1 1 1 1 1 1 1260 1 1 1 4298 8896 1 1 1 1 1 257.1019 *257.1034* 257.1034@0.8785199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17388 26635 1 1 1 1 1 1 1 1 1364 1 257.1034 *257.1045* 257.1045@1.2410468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7091 4128 1 1 1 1 1 1 1 1 1 1 257.1045 *257.1058* 257.1058@5.7785897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2752 3211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.1058 *257.109* 257.109@0.88801104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.109 *257.1156* 257.1156@0.92300624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2559 2655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.1156 *257.1181* 257.1181@5.527235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26353 26665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16325 12432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.1181 *257.119* 257.119@5.2970037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1223 3090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.119 *257.1193* 257.1193@4.8427362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1115 1125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3902 3657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.1193 *257.1223* 257.1223@0.9143477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4315 1 1 1 1 1 1 1 1 1116 1 1 257.1223 *257.1647* 257.1647@5.822611 1 1 1012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.1647 *257.1683* 257.1683@3.7042155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.1683 *257.1732* 257.1732@3.7569551 1 1 1 1 1 3496 1 1 1 1 1 1 1081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2005 1 1 1 257.1732 *257.1977* 257.1977@8.906113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4081 4111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.1977 *257.1993* 257.1993@7.1359315 1 1 1 1 1 1 1 1 1 1 1361 5004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6753 5409 1 1 1 1 1 1 1 1 3073 1 1 1 1 1 1 1 11469 11031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.1993 *257.1998* 257.1998@7.944969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1999 1883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.1998 *257.2712* 257.2712@9.337088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.2712 *257.2725* 257.2725@10.948881 3386 1 1 1 1 1 1716 1601 2050 1 1 1 1 2256 1 1 1 1 1 1 1 1 1 1 1 8012 1 1 1 8703 1 1 1 1 1 2239 1 1 1 7405 1 1 2297 1 1 1 1674 1 1 1 1 1 1 7994 6930 1 3276 8942 7028 4826 1 1 1 8650 1 4186 1 6979 1 1 1 8055 1 7985 1 1 1 1 1 1 1 8657 6767 1 1 8393 9098 1 6383 7185 257.2725 *257.2731* 257.2731@10.971774 1726 7814 8245 1 1 1 7077 1 1 1 1 1 1 1 9527 7475 7104 1 10341 2768 7819 9102 9224 1 8593 1 1 9969 1 1 1 1 1 1 7649 1891 1392 1 1 1 1 8855 1943 7132 1 5932 5615 1 8762 1 7803 8309 1 1 2129 7124 1106 1 1 2582 1 1 1 1 8031 1 1 1 8030 1736 8373 1 8594 1 7785 7399 1 8831 7558 7585 8865 1 1 1 7934 1 1 1 1806 1 257.2731 *257.2737* C16 H35 N O 3589 1 1 8659 8154 7909 1 5334 6934 8513 9618 8996 7134 6059 1 1 1 7220 1 5437 1 1 1 8457 1 1 8167 1 7036 1 7747 9384 8131 7517 1 4756 6956 8552 8114 1 8621 1 4692 1 7908 1 1 7075 1 9425 1 1 3638 1 1 1 2679 1 1 1 7098 6437 7233 1 1 3854 7626 1 1 6063 1 1 1 1 1 1 7648 1 1 1 1 1 1 7891 1 1 1 6935 1 1 257.2737 *257.8105* 257.8105@0.84767634 1 24847 24855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24184 1 1 1 1 1 24114 1 1 1 1 1 1 1 1 1 1 1 24545 1 1 1 1 1 1 1 1 1 1 1 1 10445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24605 1 1 1 17135 1 1 1 1 1 24387 1 1 1 1 1 1 257.8105 *257.8107* 257.8107@0.851052 25606 1 1 25142 24097 24808 23917 23629 24232 23479 23711 22853 25078 24049 25175 25370 24800 24437 24720 24094 24345 23916 25061 25673 23305 1 24817 24394 24806 25441 23973 1 25782 24922 24805 24748 24257 24168 25826 24770 23269 24276 24734 1 25066 24223 23104 22796 25803 26006 24540 23946 25603 24273 22001 23202 14421 24124 24334 24850 22755 23137 22808 24187 23939 24609 24007 24477 23696 24802 25084 24543 23762 1 24158 24800 24391 6585 24228 24167 23840 24188 24587 1 24048 23907 24233 23364 23766 23611 257.8107 *257.9511* C6 H10 O3 S4 2136 1923 1982 2225 1574 1858 1842 1876 2282 2211 2138 1840 2083 1944 2185 2335 1950 2083 1688 1779 1787 1606 1612 1587 1697 1614 1824 1953 1541 1831 1 1 2010 1894 2150 1 1 2003 1938 2213 2052 1993 2117 2096 2323 2210 2010 2343 1 1855 2079 2323 1633 1869 1 1481 2089 2223 1963 1726 2109 1969 1533 1696 2378 2430 2025 2362 1642 1518 1390 1673 1709 1608 1772 1373 1684 1470 1574 1734 1652 1899 1747 1448 1610 1714 1737 1849 1998 2091 257.9511 *257.9801* 257.9801@0.77501214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1046 1054 1 1 1 1 257.9801 *257.9892* 257.9892@0.77500963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.9892 *258.0227* C6 H10 O11 2852 2932 1382 1793 2376 2738 1 3062 3139 3008 3048 2574 1 2271 2594 1 2763 2681 2962 2308 2648 2367 1981 1 2696 2960 1816 1826 2660 2693 2378 2340 2908 2824 2440 1 2998 2993 2626 1769 2034 2467 1 2418 2034 1 3470 4005 2522 2990 3021 3446 3396 3542 2944 3119 2230 2627 2535 3274 3718 4340 3527 2855 2201 2258 1736 1600 1 1 1872 2195 2825 3191 2286 2085 2260 2833 2059 2135 2084 1762 2417 2704 2410 2263 3074 2994 1 2526 258.0227 *258.0257* 258.0257@0.8479816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.0257 *258.0527* 258.0527@0.8237683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1601 1 1 1 1 1 1 1456 1 1 1 1 1 1 1 1 1 1870 1 1 1 1 1 1 1 1 1 1 1 1 1 1865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.0527 *258.0561* 258.0561@0.8208993 1 1 1546 1595 1 1 1 1559 1 1 1770 1875 1 1 1 1187 1 1613 1284 1 1 1 1760 1 1 1 1 1540 1 1 1 1 1 1039 1 1 1 1 1 1 1 1668 1 1 1602 1704 1 1 1 1 1 1 1 1 1 1 1681 1521 1 1048 1576 1 1 1700 1288 1 1 1432 1527 1594 1 1 1862 1 1 1318 1 1 1216 1 1 1273 1 1 1 1 1 1 1802 1632 258.0561 *258.0854* 258.0854@1.12424 3169 3843 1831 2083 1 1 26141 25891 8724 9055 9069 8686 5096 4583 1 1 21505 21368 14634 15721 1464 1740 1 1 1 1 4273 4394 1 1 1 1 13349 13716 1 1 1 1 8468 8745 8385 8366 17613 17257 11380 11853 4415 4274 6548 5996 1 1 1 1331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1117 1 1692 1601 1 1 1254 1597 1 1 1 1 1 1 1 1 1 1 1 1 1 1182 258.0854 *258.096* 258.096@1.1855361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1841 1117 1 1 1 1 1 1 2396 2703 1 1 258.096 *258.1077* 258.1077@1.2463292 1 1 1 1658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1687 1 1 1230 1250 1 1 1 1 1 1 1 1 1 1710 1436 1438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2020 2496 1 1117 1584 1477 1 1 1 1 1 1 1311 1343 1 1 1 1413 1 1 1 1 1 1 1 1 4242 3963 1056 1301 1 1 1 1 1 1 1 1 258.1077 *258.1096* 258.1096@3.0706449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10993 10871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1927 2204 1 1 1042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.1096 *258.1168* 258.1168@1.2469018 1308 1437 1918 1 1 1 1 1 1 1 1 1 3614 1323 1 1 1341 1804 1 1 1369 1 1 1 1 1 1 1 1 1 1418 1 1 1900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1691 1564 1 1 1 1 1 1 1813 1700 1 2028 1425 1143 1 1 1 1263 1 1 1 1 1194 1102 1 1 1983 1696 1 1 1 1 1802 1719 1674 1417 1 1 1872 2049 258.1168 *258.1225* 258.1225@1.2463282 1 1 1 1 1 1 1389 1167 1535 1497 1026 1260 1 1 1319 1680 1 1 1844 1855 1 1 1696 1404 1 1 1380 1329 1092 1 1 1 1860 1 2322 1 1 1 1818 1698 1622 1924 2036 1885 1 1 1655 1575 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1207 1 1 1 1512 1772 1 1 1 2693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.1225 *259.0475* 259.0475@0.9170255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1053 259.0475 *259.1165* 259.1165@5.528917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.1165 *259.117* 259.117@4.8425055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1379 1090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.117 *259.1219* 259.1219@1.2440469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2001 2015 1 1 1 1 1 1 1 1 1 1 259.1219 *259.1307* 259.1307@1.2490108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.1307 *259.1419* 259.1419@3.0394554 1 1 1 1 1669 1514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5185 4992 1 1 1 1 1 1 1 1 1618 1635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1915 1986 1 1 259.1419 *259.1516* 259.1516@1.2450114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1206 1136 1 1 1 1 259.1516 *259.1663* C10 H21 N5 O3 1 1 2594 2306 1 1 1 1 3183 3281 1 1 2360 2602 1 1 1 1 2941 3695 1 1 1 1 3134 2374 2361 1818 1 1 1 1 2545 2543 3057 3049 1 1 1 1 3646 3341 2995 2835 1 1 1 1 1 1 2688 1 4631 4149 3000 3207 3861 3960 4973 5402 1 1 2116 2058 1772 1 3055 2996 2573 2720 2907 2577 2141 2447 1 1 2984 2903 1999 1896 1 1 3118 3475 2864 2905 1662 1702 5114 4693 259.1663 *259.1766* 259.1766@0.9261855 1 5971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2173 2772 1 1 4459 4854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.1766 *259.178* L-Glutamic acid dibutyl ester + 5.3399 1 1302 2582 2366 1757 1 2790 2303 1445 1291 1612 1895 3561 3629 2576 3161 3084 3420 2968 1 1248 1345 1258 1472 1280 1 2551 2659 1 1792 3907 3895 4012 3717 1 1 1710 1 5093 5013 1609 1 2868 1 1614 1992 2354 2063 1881 1405 1581 1448 2938 2029 1243 1062 1519 1429 1 1 2484 2114 1 1831 1 4261 1670 1608 1339 1441 1156 1715 2723 2752 1868 1 1 1706 1912 2052 1 2163 1969 2251 1 1416 2956 1 1139 1226 259.178 *259.1782* L-Glutamic acid dibutyl ester 1 1 10153 9955 1 3505 1 1 1 1343 3756 3210 1 1 1 1722 1 1 2204 1652 2124 1799 1 1 1 1 1 1 1 3655 1700 1 1 1 1530 6345 2855 1 1334 1754 1 1482 1 1 1877 2062 1 1 1 1 1427 1338 1 1 1 1 3940 1 1171 1 5157 3887 22537 1 1 1 3850 4201 9892 9296 1 1 1 1 1 1 1 1 1 1 1 1230 1161 1669 1 1 1 1 1510 2132 259.1782 *259.1784* L-Glutamic acid dibutyl ester + 5.1181326 43827 13082 1 1 41659 10454 1 28894 42212 6947 4788 1 1 1 11564 1809 1 1 27170 47808 40882 39307 1 49310 7068 42225 1 1 10740 45007 37300 10561 13193 13943 47080 1502 9766 47403 4988 1 49049 13175 1 52900 1 3855 1 29559 9463 9881 5343 32108 34833 6352 9615 2459 6561 33941 8409 32491 10532 1 1 36722 36793 10402 6746 26231 1 36969 1 1 1 37371 1 37412 37692 9894 1 11988 1 1321 5714 3463 37274 33173 10771 10955 4431 1 259.1784 *259.1787* L-Glutamic acid dibutyl ester + 5.189158 1436 1 38676 10311 1 1636 5764 1 1 4969 39546 50156 41558 31760 1 10603 36757 43746 17536 3289 1 1 39721 1 4630 1 43454 49367 1144 1 1 1 1 1 1 5619 1 1745 6085 34742 1 1160 14489 2787 43430 17534 36947 1 1 1 29152 1 1 1 1 31363 13606 1 24297 1012 1 9788 2527 1 4533 1 1 1 33420 1 10203 31568 31034 1 34912 1811 1439 1 1 1 32852 29594 31335 5994 1578 1 1 3218 4561 36463 259.1787 *259.1841* 259.1841@0.94057983 8873 1 1 1 1 1 1 4879 1 1 1 1 1 1 1 6789 1 1 1 1 1 1 6374 9452 1 1 1 1 1 1 1 4127 1 1 1 1 3820 1 1 5008 1 1 1 1 1 1 1 1 4277 4909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4546 4417 1 1 1022 1 8663 1 1 1 1 1 1 1 1 1 259.1841 *259.1871* 259.1871@1.1160126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.1871 *259.1896* Lys Ile 1 15079 12160 11796 12047 10698 21351 16769 15839 15931 13882 13434 15368 14752 17605 11342 14503 15288 19383 17081 15367 14995 18278 15421 10798 11684 10602 10389 17304 16041 22717 19292 12497 13441 13775 12188 25630 31504 19800 14297 18479 19551 14425 14542 25357 23584 24634 25284 11997 12261 20313 21480 20981 21261 14696 15543 10098 10300 20582 20097 23852 22734 16801 17433 14643 13823 8276 7258 14582 14001 22513 22719 14825 13893 13321 12792 16408 16747 17287 16369 13219 22758 15508 14730 22374 23522 10560 10579 24616 25719 259.1896 *259.1925* 259.1925@6.1519427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.1925 *259.1935* 259.1935@6.1069703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36411 33689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.1935 *259.2124* 259.2124@8.480706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1834 2645 1 1 1 1 1 1 1 1 1 1 259.2124 *259.2251* 259.2251@10.596449 1 1 1 1616 1 1 1 1 1 1 1442 1554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1332 1 1195 1 1 1 1 1 1593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1568 1 1 1 1 1 1 1 1 259.2251 *259.2511* 259.2511@7.717633 8257 9668 1 1 22882 22753 2692 2593 3728 3933 1 1 15419 16158 13052 13097 1 1 49125 48919 5236 5059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7901 7979 23461 22992 23071 22776 1127 1230 1 1 1 1 1165 1519 1 1 1 1 1 1 1 1 22996 23299 1 1 1 1 1 1 1 1 1084 1237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2862 2660 1 1 259.2511 *259.8089* 259.8089@0.850014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5360 1 1 1 1 1 1 1 1 4869 1 1 1 5498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.8089 *260.0044* C5 H9 Cl N2 O8 57667 91921 57024 83256 118954 27259 122894 121796 96208 98296 93285 92163 91850 74382 92853 91193 104125 100821 86778 83198 100499 101298 95137 94523 96672 95509 93248 56884 92202 88513 102904 100572 81239 83138 103691 100041 90389 91208 90263 88505 90153 88143 100490 98413 100619 98832 116182 118576 97359 98423 99159 99213 103759 105191 89355 89532 99519 98653 99833 96608 95693 97197 81725 80806 94967 93628 97197 94938 83079 86324 87681 87652 119003 119975 88915 90592 88674 89582 83411 84432 89387 89828 103375 102700 76994 80968 83269 79309 103794 101670 260.0044 *260.0055* 260.0055@3.4028683 1 1 1 1 1 1 1026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075 1 1 1 1 1 1 1 1 1 1982 1637 1 1 1 1 1125 1114 1 1 1 1 1472 1719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0055 *260.0097* 260.0097@0.90198404 31505 1 28979 1 1 71425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0097 *260.0144* 260.0144@0.9129717 1 1 1 1 1 1 1 1 1 1 1 1 1 19521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0144 *260.0887* 260.0887@1.1879832 1 1 1 1 1 1 1 1 1 1 1 1 3107 1 5068 4892 1 1 1 1 3309 1 1 1 1 1 11716 12732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0887 *260.0914* 260.0914@3.00555 1 1 1 1 1 1592 1 1 1 1 1 1 1 1 1 1 2144 1 1 1 1 1 1027 2304 1 1 1 1 1 1 1 1 1 1 1591 1298 4157 4694 1 1 1 1 1 1 1 1 1 1 1 1 2363 2635 1 1 4047 3676 1709 1 4701 4810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3019 1 1 1 1 1 1 1 1 1526 1 1 260.0914 *260.0926* 260.0926@1.1887532 1 1 2028 1855 1736 2409 1 1 1097 1166 1 1165 1 3584 1 1 1 1 1 1 1 2638 1826 1436 1 1 1 1 2216 2132 1 1 2346 1722 1 1 1 1 1 1 1 1 1 1 1 1 1008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0926 *260.1043* PEUCENIN + 7.86186 20267 6746 18121 6425 16161 6749 17142 16801 5620 15914 6146 17953 20525 20732 21061 19867 1779 16368 16661 16133 6656 18733 17537 18876 2730 7100 20979 7837 18882 20205 18798 18164 24221 21634 23848 23105 19523 19482 18563 18307 15890 5160 5893 17521 18959 19796 14996 16256 5200 16610 5194 17172 18202 18558 14996 15604 16860 16629 5714 16338 3457 4078 14841 13929 16609 17112 14091 15168 14999 4373 12156 4550 15947 15119 16165 16811 3702 14354 22364 22717 13756 13586 14447 14517 14835 15124 16375 16082 15455 15722 260.1043 *260.1053* PEUCENIN 3270 20275 1 18837 1 18788 6800 5487 16472 6213 17943 1 1 8032 1 1 17870 1 1 1 18379 2530 1 1 19386 20528 1 20988 9558 6709 1 1 1 1 3419 6607 1 2553 7067 1 1 15943 18612 1 1 6404 2136 1 17166 1 15900 6025 6869 1 5521 1 5040 1 17850 2710 14795 15141 1 4737 2802 1 1 4532 5724 14945 1 14284 1 1 5324 5138 14037 1 1 4524 1 1 1 5406 2312 1 5847 1 1 5223 260.1053 *260.1057* DIHYDROSPATHELIACHROMENE 4930 2344 6310 2692 7791 2661 2679 2683 2613 2215 2595 7644 10241 3176 9918 10527 4028 3647 8913 9014 2836 6910 8445 9070 6682 3322 11298 2194 1883 3159 8030 7437 11249 9634 7902 2852 9808 6401 2198 10278 7552 2410 2220 8792 9080 2766 4670 5742 2482 6130 2997 1990 2111 9154 1547 6706 2830 7317 2848 5763 1205 2642 6619 1684 5510 9247 7005 1866 2984 2232 5020 1731 7216 6514 2126 2222 2531 6396 6895 2119 6580 6499 7051 2097 4846 7005 2487 7031 2520 2536 260.1057 *260.1088* 260.1088@3.4189467 1162 1292 1 1 1 5694 1 1328 1 2614 1 1 1 1 1 1 1 1222 1 1398 1 1 1 1 1 1 1 1 1 1 1908 1 3064 1 1 1 1 1 1 1 2741 2538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1088 *260.1127* 260.1127@7.568281 1 1 1 1 1 1 1 1 1 1 1 1505 1 1685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1076 1 1 1 1 1 1 1 1 1 1 1 260.1127 *260.1175* 260.1175@0.8595028 1 1076 1 1 1 1 1 1 1 1451 2282 1 2254 1 2060 2394 1417 1 1885 1632 1 3361 1 1198 1 1 1 1193 1 1 2142 1 2200 1 1 1 1 1578 2144 3312 1370 2214 1604 1528 1593 1 1 1 1 1 1 1 1 2618 1 1 1 1 1445 1850 2409 1 1 1740 1 1 1607 1 1 1 1 1 1 1 1873 1 1 1952 1 1 3946 1 1541 1 1692 1 2365 1 1433 2597 260.1175 *260.1186* 260.1186@0.90760314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2413 1 1 1 1 1 3338 1 1 1 1 1 1 1 1 1 1 1 1 1 3184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1186 *260.1202* 260.1202@0.90540403 1 1056 1 2558 1 1 1 3944 1 1 1536 2095 1 1282 1 1257 1 4251 1 1 1 1 1 1298 1 1 1 1950 2457 1671 2943 4423 1 1 1 1058 1 1 1 1 1 1543 1 1 1 3942 1 4240 1472 2509 2325 2498 4312 1 4707 3939 1 3814 1 1 1 1 4611 1 3398 3297 3009 3505 1 1192 1 1 1 2885 1 1590 1 1502 1 5471 1 1 2642 3708 1 1 1 1 1 1 260.1202 *260.1203* C19 H16 O 1305 1237 1499 1539 1050 1566 3906 1722 2578 1414 1357 1338 1779 1690 1544 1578 4425 1351 1069 4035 3122 1071 1891 1656 3710 1016 1574 1512 1371 1252 1504 1591 1 1769 1563 1232 2243 1929 1744 1832 1 1303 1481 2991 1822 1672 2736 1352 4872 1390 1186 1551 1730 1400 1342 1450 1311 1826 1826 3722 1541 1 1165 4800 1299 1534 1405 1210 4765 3814 4002 4841 3354 1313 1388 1106 1329 1352 2804 1316 1 2585 1349 1305 3532 3277 1035 3218 1 1338 260.1203 *260.1228* 260.1228@4.214246 1 1 1 1 1 1316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1228 *260.1235* 260.1235@3.8478272 1 1 1 1 1 1 4027 1 1 1 1 1 1 1296 1 1 3583 1 1 1 1 1 1 1305 1659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1250 4128 1 1464 1 1 1 1 1 1 1 1397 1 1 1893 1 1 1 1 1 1 1 1041 1 1 1 1 1 1 1 1 1127 1 4347 1 1 1260 1 1 1 1054 1 1 1 3035 1 3171 1 260.1235 *260.1246* 260.1246@4.946763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21792 15099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1246 *260.1249* 260.1249@4.898438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1249 *260.125* 260.125@14.138176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.125 *260.1277* 260.1277@3.865178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1277 *260.1293* 260.1293@1.2389513 1 1 1 1 1 1 1 1 1 1 1 1 1 1159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1293 *260.1319* 260.1319@0.92501235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1477 260.1319 *260.1345* 260.1345@1.7273531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1091 1 1 3852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1345 *260.1364* 260.1364@5.915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1364 *260.1365* 260.1365@2.120021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1365 *260.1368* Gamma-Glu-Leu 14586 16106 1812 2258 4122 3706 14784 14304 2796 2605 7924 7727 1 1 14580 14958 6779 5449 3924 4456 7387 6574 8989 9920 1413 1126 2454 2276 9417 9258 7092 6129 2784 2792 2157 2530 29943 28805 19617 20648 3544 2946 2026 2446 3672 3600 20871 19507 28581 28266 3792 3154 4327 3947 1215 1456 1740 1683 2418 2506 33713 32813 3450 3347 2565 2328 1873 2003 2378 1524 3386 3545 2293 2546 22607 23606 2850 2635 3597 3360 14486 14519 2675 2696 1995 1929 2939 2889 2393 2782 260.1368 *260.1458* 260.1458@1.1070399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1436 1893 1 1 1 1 1 1 1 1 1 1 260.1458 *260.1866* 260.1866@4.806505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3554 2691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1866 *260.1895* 260.1895@0.9600081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1895 *260.234* 260.234@12.057278 4562 4088 1927 1965 4199 5104 3813 4117 3898 4172 3941 4294 4165 5303 3780 3999 4368 3760 3907 4468 3290 6142 4585 4118 3563 4729 3722 3763 3828 3696 3696 1687 3973 4116 1235 3569 3625 3469 3739 3935 4673 3493 3815 1558 3985 1 3434 3927 3987 3738 1599 3773 3763 3426 3798 1575 3889 3815 3654 1 3650 3675 3432 4104 4126 3508 3407 3637 3443 3156 3133 3274 1687 3407 3548 2855 1326 1400 3491 3106 3313 3342 3092 3164 2992 3426 3233 3839 3445 1161 260.234 *261.0725* 261.0725@1.247006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 261.0725 *261.0857* C11 H11 N5 O3 3885 4363 2701 3264 1 1 4050 1 2933 2952 1384 1184 3467 4143 1878 2631 1697 2138 4207 4356 1136 1391 6388 6886 1343 1037 3828 3339 2331 2484 1355 1 2275 3362 4058 3563 3342 3409 4095 5288 4570 3335 4635 4439 1680 2171 7671 8611 3342 1 4026 4112 7879 7305 4989 5183 3834 4100 6844 5371 8091 8266 4569 4665 2414 2841 2883 3090 4476 4134 4603 6070 2592 2883 3818 3731 4877 5475 8447 7468 4267 4149 6500 6355 4122 4038 2340 2822 3921 4537 261.0857 *261.1211* 261.1211@1.5190039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2317 1 1 1 1 261.1211 *261.1212* C11 H19 N O6 1 1 18634 19396 14636 14732 26054 24403 24089 24018 22433 24291 16444 16224 16036 1 1 10376 24312 10059 23635 23508 9705 19823 11099 9096 16741 7797 15516 14270 22798 21698 17487 17924 15597 14684 23899 15812 1 28341 27633 24851 8944 12351 20601 2667 1 29303 1 14346 1 1 1 1 1 1 2429 9057 16904 21958 1 11429 1 9231 1 1 1146 1 1 1190 1 1 9638 8772 1 1 11427 1 13294 9533 1 2423 1 7798 2539 2536 1 1 1 15855 261.1212 *261.1213* 261.1213@1.4574842 1 1075 1 1 1 1016 1 1 1643 1 1 1 1 1 1 1 1 1 1 12850 1 1 11089 1434 1 1 1 9275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7020 1234 1 1290 1258 1 1 1 1 1 1 1 1 1 1903 1 3867 1 11566 6933 1 2510 1 1 3140 1 3311 1 1 1 1 1 1 1 1 1 1 1 4597 4141 1 2761 4425 12959 1 1 1 1 261.1213 *261.1213* C11 H19 N O6 + 1.8714852 10251 12107 9437 9837 10001 11342 1 13820 14713 15269 9804 12378 9495 1 9824 5995 9301 5857 11667 12642 12629 11674 12355 16351 7030 6950 10774 9863 9248 12483 15243 10778 9851 13212 10600 10547 14809 17091 15875 14903 17569 14277 10336 12726 17018 16180 16707 20480 12596 9080 11586 5797 14797 17743 12075 8872 3551 10505 15921 16391 14171 10430 15918 6950 16740 8615 8227 8153 4614 11463 18152 17851 8264 9201 8881 10975 10979 5191 18745 18606 10607 8907 12097 10760 19009 16689 1 9499 12952 19844 261.1213 *261.1213* 261.1213@1.7897798 1 1 1 1 1 1 1 2583 1 1 1099 1 1 1 1 1886 1 3047 1 1 3031 2692 3892 1 1 1 1 1 2301 1 1 4166 2686 1 1 1 1781 1 1 1 1 2168 5241 1 1 1 2304 1 1 1582 1 2207 1 1 1 1908 1 1 2560 1 1 1920 1 9331 1 5399 1 1 5290 1 1 1 1 1 1899 1 1 8287 1 1 1774 3286 1082 2033 1 1 1 1 2996 1 261.1213 *261.1214* C7 H15 N7 O4 19207 21801 9863 7526 7635 6358 1 1 2737 3155 3864 3474 3231 3263 6346 19605 13277 2835 2329 2462 24370 23753 11485 10463 3598 3535 35975 33968 14267 14391 3158 3903 1655 1765 4318 4504 1 6211 22727 1 2074 2258 2469 2275 2176 16445 29733 1 15150 1 1575 1814 1 1009 1125 1128 2357 1 1114 1 7206 1 1291 1107 1 1 1 1 1 1007 1037 1076 1350 1 16023 15966 1699 1822 19106 18140 1 1 1404 1438 1567 1400 1542 1 1261 1 261.1214 *261.122* 261.122@1.7939863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5041 1 1 1 1 1 1 1 1 1 1 1 1057 1 1594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 261.122 *261.1272* 261.1272@1.2422283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6900 1 1893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2270 1 1 1 1 1 1 1145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 261.1272 *261.1277* 261.1277@3.7747438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 261.1277 *261.1393* 261.1393@0.9290316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1756 2067 1 1 1 1 1 1 1 1 1 1 261.1393 *261.1512* 261.1512@5.764853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1824 1371 261.1512 *261.1512* 261.1512@6.257394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1107 1137 261.1512 *261.1568* Pinacidil-N-Oxide 7375 7330 10101 9785 13159 13414 15497 16607 8073 7723 10656 11749 6270 6211 7464 7164 6965 7394 9055 9048 6774 6808 8431 8326 6022 5551 10699 10508 8353 8346 7636 6861 7881 7890 5745 5133 9150 9620 7622 7450 9714 10104 11130 11445 3399 7998 10914 11437 8004 8902 6784 6349 11483 11403 10169 9871 8238 7923 8592 8717 11983 11766 7324 7630 7700 7663 9135 9153 6517 6959 8210 8639 10774 10567 6828 7271 9035 8032 7274 6659 6474 6318 13909 14638 7292 6619 13381 12972 7268 7630 261.1568 *261.1583* 261.1583@3.2055027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3282 3139 1 1 1 1 1 1 1 1 1 1 261.1583 *261.1695* 261.1695@8.397769 1 1 1 1 1 1 1 1 1 1 3523 3541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 261.1695 *261.1735* 261.1735@5.6254673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1039 1063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 261.1735 *261.9093* C6 H8 Cl2 O S3 1663 1323 1458 1304 1301 1332 1699 1189 1603 1702 1251 1344 1230 1157 1406 1250 1252 1193 1558 1414 2270 1543 1639 1709 1425 1494 2533 1626 1314 1433 1330 1476 1347 1609 1749 1782 1935 1651 1656 1455 1358 1550 1637 1502 1407 1669 1600 1454 1562 1777 1267 1597 1690 1436 1373 1494 1643 2560 1886 2074 1367 1294 1395 1529 1413 1416 1382 1319 1352 1361 1368 1625 1392 1654 1470 1302 1685 1326 1631 1510 1291 1528 1480 1545 1469 1511 1432 1315 1549 1263 261.9093 *262.0019* 262.0019@0.93536955 1 1 1 1 1 1 1 1 1 1 1 1108 1867 1 1 1 1 1 1 1 2282 1453 1 1 1 1 1 1 1 1741 1 1 1 1 1 1811 1 1 1 1 1 1 1 1472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1290 1 1 1 2113 2668 1 1 1 1 1 1 1 1 1 1 262.0019 *262.0681* 262.0681@0.9910398 1 1 1 1 1 1086 1 1 4537 1 1 1 1022 1 1 2828 1693 1 1 4290 1 3580 1 1 1 1 5344 5704 1 1 3076 1 1 1 1 1 1 2302 1 1 7667 5558 1 2443 4520 5785 4602 1 1 3791 1 1 2483 1 1 1 1578 3675 1 2414 1 1 1 1 1 1571 1 1 1604 1 7233 7617 5579 4445 1 1 2838 1 4380 1 1 1 1 1 1 1 1 1 1 1 262.0681 *262.0685* 262.0685@1.7124214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1255 1036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0685 *262.0687* CARBADOX + 3.2040133 1 1 3944 2712 1 1 3498 2623 1859 1 1 1 2652 2063 1 1 1 2458 2438 2383 3529 3273 2599 1 1 1 1 2779 1 1907 4382 3348 2529 1 1 2388 3174 2802 3755 1 4271 2871 1 3280 1 1 3050 2523 2943 1989 2851 2046 1 3838 2306 1 1120 2023 1 1741 3074 3156 2268 2210 2389 2014 2826 2025 2855 2594 2804 3059 2056 2839 1 2747 2310 2318 1 1 1 2544 2018 1 1 2847 1 3787 1 3292 262.0687 *262.069* 262.069@0.7265941 1 1628 1 1 1578 1789 1 2571 1683 1736 1 1 1164 1 1 1675 1 1 1 1 1517 1 1706 1 1 1 1 1 1 1 1 1 1597 1264 1 1 1 1 1395 1 1 1 1 1 1 1 1521 1 1 1 1417 1 2366 1 1 1781 1058 1 1 1 1215 1 1 1 1 1 1575 1305 1395 1 1242 1 1 1 1 1 1 1 1 1 1820 1080 1 1 1165 1 1400 1 1 1 262.069 *262.069* 262.069@1.0727966 1 3143 1 1 3010 1 3644 1 1 1 1822 1 1 1 1 1 1224 1455 4840 1 1 2672 1 1 1 1 1 1 1 1 1 1 1 1 1 3471 1 1 1 1 1 1 1 1 1622 1 1 1 1 1 1 1 2197 1522 1 1 1932 1 1 1332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5071 1 1 1 1 1 1 1 1 1 1 262.069 *262.0695* 262.0695@0.7753665 1 1557 1 1 1889 1463 1 1331 1 1353 1726 1718 1226 1 1877 1135 1 1 1187 1243 1 1447 1 1 1 1 1 1 1 1 1 1 1 1686 1 1 1 1 1 1133 1 1336 1 1 1 1 1 1206 1145 1371 1 1 1208 1 1228 1642 1177 1 1 1391 1 1 1 1 1 1 1 1643 1535 1 1 1 1 1 1 1080 1 1803 1 1 1 1 1 1 1 1 1451 1 1145 1 262.0695 *262.0699* 262.0699@0.63466364 1 1 1 1 1 2179 1 1 2759 1 1 1 1307 1 3415 1 1 1 1448 1 1 1 1034 1 1 1 1 1 1 1 1 1 1 1 1077 1 1 1 1 1 1 1088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1687 1 1 1 1 1 1 1 1058 1 1 1 1152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1476 1 1 262.0699 *262.0707* 262.0707@6.550075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0707 *262.0719* CARBADOX 32812 31796 35737 35229 40519 40650 45943 47190 34401 35211 33251 33039 30671 30732 32918 33505 35449 34032 41643 39481 41730 42405 34411 36554 35893 32326 49845 47765 37503 37835 45013 44255 32071 33045 41367 41742 48967 49875 41582 41139 51212 52304 33932 34963 50146 49657 56246 54965 44148 43080 42925 44639 46245 47553 39912 40316 50434 50109 55229 56292 44155 45693 41980 39363 39654 39641 41717 39550 36486 36328 67888 67508 59512 57161 33482 34324 39165 40756 49608 46991 41038 41720 47103 45669 44004 41239 39486 39812 48759 51677 262.0719 *262.0771* 262.0771@3.6968803 1 1 1 1 1 1 1 1 1 1 1 1 2191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0771 *262.078* C21 H10 4643 3058 1 1 2040 1 6991 8359 5577 8234 2757 1 4406 5009 5216 8002 6002 3573 8063 6202 1 1 3987 5082 1 5412 5862 5478 3125 1 9491 7423 1 1 2525 1 5898 6567 4652 7098 12404 10646 1 1 1 1 8442 9459 3475 1 5583 3808 9558 11004 1 1 1 1 1 2265 1 1 1 1 1 3174 4099 1 6249 6498 3768 2624 3512 4648 2239 1 8051 7840 2996 2903 6307 4562 1 1 1 3432 1 2432 4548 3889 262.078 *262.0951* 262.0951@2.2040467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7288 7984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0951 *262.0976* 262.0976@1.3122451 1 1 1 1 1 1 1372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2901 2975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0976 *262.1104* 262.1104@1.2846967 1 1 1 1332 1 1108 1 3880 1 1 1 1 1 1 1141 1 1 1 1 1 1 1650 1 2411 1 1 1480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.1104 *262.1176* 262.1176@1.3660074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.1176 *262.118* 262.118@1.8800191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.118 *262.1186* 262.1186@1.3314254 1 1 1 1 1 1 1 1 1 1 1152 1 1 1 1 1 1 1 1 1 1 1770 1 1 1 1 1123 1 1 1 1 1 1247 1 1 1 1 1698 2133 1 1 1 1 1 1 1 1 1745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.1186 *262.1347* 262.1347@0.9684964 1 1 1 1 1 1 1 1 1064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.1347 *262.1383* C19 H18 O 7321 7491 7999 8143 13567 12849 10892 9439 17005 18825 7119 8207 7492 6490 9250 7804 9099 8439 6766 5063 13730 12915 11501 12172 13004 15557 8953 9867 9305 10885 1 12714 5528 4799 13391 13186 6006 5255 8765 11223 7754 7506 10558 10458 12511 12855 9348 9711 8156 8080 16639 17500 13937 12851 11131 11696 15690 14806 13474 12768 6502 7034 6909 7235 10179 1 4406 4294 6116 5772 5677 5183 15253 13603 14488 15033 7928 8566 1 9075 9273 9051 12163 12214 1 7419 5355 5128 12597 13606 262.1383 *263.0737* 263.0737@3.4236698 1 1 1 1 1 1 1 1 1590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1448 1640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1684 1750 1 1 1 1 1 1 1 1 1 1 263.0737 *263.0785* 263.0785@3.4141524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.0785 *263.1068* 263.1068@0.96830904 1 1 1712 1384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1579 1503 1 1 1 1 1 1 1651 1 1 1 1 1 1 1 1 1 1 1 1649 1 1 1 1 1 1260 1 1 1 1739 1786 1 1 1 1 1 1 1 1285 1 1 1 1 1 1 1 1 1 1 263.1068 *263.1095* 263.1095@1.2440468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1125 1 1 1 1 1 1 1 1 1 1 263.1095 *263.1134* 263.1134@0.9364863 1 1211 2087 3318 1 1 1574 1 1 1 1 1 1 1 1 1 1389 1587 1 1 1 1 1978 1 1 1 1 1 1 1 2925 2359 2088 1955 1 1 1 3049 1 2666 3149 2787 1 1 1 1 1 2108 1 1368 1 1 1 1 1 1 1 1 1 2559 1 1 2234 2170 1 1 1 1 1 1398 1 1 1 1 1 1 1429 1 1 1 1 1926 1 1 2211 1 1 1 1 2071 263.1134 *263.1201* 263.1201@3.850081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.1201 *263.1238* 263.1238@0.93724203 1 1 1 1 1 1 1 1 1 1 1 1 1849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1795 1 1 1 2496 1 1 1 1776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.1238 *263.1289* 263.1289@0.9372614 1500 1 1 1 1 1 1 1703 1 1 1088 1 1 1 1549 1312 1 1 1 1 2585 2329 1 1 1390 1 1 1 1 1 1 1 1 1 1 2229 1 1 1 1 1 1 1 2718 1 1 1298 1 1 1 1 1 1 2268 1 1115 1644 1480 1 1 1 1 1 1 1 2234 1 1 1485 1 1 1 1 1448 1 1 1 1 1 1 1 1 1 1160 1 1 1 1 1 1 263.1289 *263.1449* 263.1449@0.90368253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1048 1 1 1 1 1 1023 1 1 1 1 1 1 1 1 1 2191 1 1 1 1 1 1 1 1 1 1 1 263.1449 *263.1501* 263.1501@0.9042516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1208 1219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1151 1 1033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.1501 *263.1509* 263.1509@6.649277 1 1 1 1 1 1 1 1 1 1 1 1072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.1509 *263.1675* 263.1675@7.5879946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34813 35390 263.1675 *263.1851* 263.1851@8.945903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.1851 *263.1891* 263.1891@4.957467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338051 346989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.1891 *263.1892* 263.1892@5.9634695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320642 321908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.1892 *263.2447* 263.2447@11.33739 1 1 1 1 1 1 1 1 1 1 1190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.2447 *263.8457* C5 H3 Cl3 S3 25113 24708 24642 24666 24456 24807 23999 23420 24565 24416 24438 24075 25593 24829 25468 24212 24856 24606 23836 23777 23569 23840 25402 24939 23595 24004 23653 23934 24986 24740 24187 23631 25219 25395 24133 24448 24749 25724 25097 24696 23507 24226 24045 24072 23558 24568 24178 24863 25408 26583 24882 24412 25121 24209 23579 24247 24427 24011 24447 25385 23333 23804 24215 23308 24079 23888 24091 24190 22632 23455 23891 23146 22640 24126 23496 23472 24347 23508 23826 24072 23364 22984 25696 24243 22846 23777 22508 23192 23347 23405 263.8457 *263.9595* 263.9595@0.79175234 1 1612 1822 1665 1489 1449 1486 1657 2883 1 1 1673 1502 1488 1 1686 1533 1593 1 1 1546 1 1810 1 1459 1 1 1854 1 1816 1639 1623 1605 1 1710 2674 1 1985 1856 1 1 1571 1788 2234 1 1 1 1 1957 1 1 3072 1850 2114 2066 1 2301 1 1 1713 1639 1 1788 1 1 1 1 1 1 1999 1485 1 1 1 1 1813 1947 1739 1802 1500 1 1 1 1 1928 1 1610 1 1655 1 263.9595 *264.0297* 264.0297@3.691713 1 1 1 1 1 1 1 1 1 1 1 1 1334 1160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.0297 *264.0723* 264.0723@3.2116995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7254 6313 1 1 1 1 1 1 1 1 1 1 264.0723 *264.0741* 264.0741@0.98400635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.0741 *264.0807* 264.0807@0.893667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2681 1 1 2980 1 1 1 1068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.0807 *264.0887* 264.0887@0.9860017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.0887 *264.1044* 264.1044@1.0889302 1 1 1 1 1 1 1382 1707 4608 4561 1 1 1 1044 1 1 2134 2221 1543 1501 1 1 1 1 1 1 1189 1317 1 1 1 1 1890 1816 1 1 1 1 4996 4453 1362 1206 1 1 3044 2941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2289 1941 1 1 1 1 1 1 1 1 1 1314 2225 2561 2795 2594 1 1 1675 1439 264.1044 *264.1113* N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine 1463 1705 6843 6560 9702 9898 17861 18467 1508 1464 17030 17284 8204 7715 5253 5197 19867 19955 11742 10890 7117 5423 1064 1066 4368 4066 8596 8028 1 1253 12920 12683 9616 9384 7936 6389 4530 3726 5144 5929 4358 4906 5751 6081 1 1 7023 7162 3654 4389 4438 5047 2756 3041 6574 6322 5777 4758 3517 3144 12270 12349 1491 1768 12726 12371 11842 11692 7735 6728 2692 2671 5086 5268 7232 7521 1 1 3252 3396 6991 7321 2591 2169 6582 6821 22977 22984 4284 4443 264.1113 *264.1216* 264.1216@3.9521658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1247 1196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.1216 *264.159* 264.159@4.5311594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1928 2230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.159 *264.1682* 264.1682@7.507745 1 1 1 1 1 1 1 1031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.1682 *264.1793* 264.1793@6.3831325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.1793 *265.0732* 265.0732@1.2304392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1006 1256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1147 265.0732 *265.0816* 265.0816@1.2317384 1 1 1 1 1054 1 1 1 1255 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1510 1 1 1 1 1 1 1 1 1 1 1 265.0816 *265.0888* 265.0888@1.0880066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265.0888 *265.0982* 265.0982@1.2420303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265.0982 *265.1054* 265.1054@1.2466775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45010 46935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32859 1 1 1 1 1 1 265.1054 *265.1178* 265.1178@1.2455373 1 1368 1104 1074 1 1 1 1 1 1 1 1 1 1 1 2434 1760 1727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1665 1749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265.1178 *265.132* ANISOMYCIN 1 1 1 1 1698 2031 1760 1918 1 1 1743 2350 1371 1273 1 1 1 1 1316 1072 1 1228 1 1 1 1043 1 1 1 1 1 1 2504 2228 1185 1155 1 1 1 1 1 1251 1 1 1 1 1977 2069 1 1 1 1 3125 3575 1 1 1 1 1 1 1413 1234 1299 1773 2228 2533 1948 1914 1570 1093 1170 1 1 1 2260 2043 1520 1429 1 1 1 1 1 1 5375 4839 3571 3747 1 1 265.132 *265.1457* Desmethyldoxepine + 8.275158 1 1 6208 4071 1 1 1 3370 1 2183 3575 9446 2884 7241 2500 1761 2709 1 1 2500 2531 1 7949 1 6822 1 6089 1 3421 2793 7362 7246 1 3873 11480 3577 4175 1 3464 3032 12756 4093 10756 3981 5060 8669 2712 2730 6994 2075 1 1 2009 2520 1 9632 1773 2113 1 1 1 1 1801 1561 2350 1 2454 2226 1 2008 2915 2062 1 7135 1 2069 1 1 1425 1401 1 1 2695 1449 1 1 1 2061 2607 1 265.1457 *265.1459* Desmethyldoxepine 2094 1 2697 2497 1 1 1 4400 4061 4221 10219 1043 5454 1 1 5280 3580 1 5920 1 1 1 1 1 1 2103 8896 1 1165 5059 1 1 1 6950 1 1 2983 1 6018 3956 1 6279 1527 6026 3617 5187 1 4101 1 4527 5131 1 4699 3802 1 1 1806 1637 3651 1 1025 1 1 2907 3784 6330 4413 2852 1 1 4178 1 6875 1 7184 4364 1 2015 4053 4586 4310 1 1 1023 3368 1 1 1809 3512 1 265.1459 *265.146* 265.146@8.222819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3586 1 1 1 1 1 1 265.146 *265.147* 265.147@8.25884 1 1 3031 5793 3231 7203 1 1574 3442 1 1 5325 1 1 1 1 1 1 2489 1 3208 1 1 2653 1 1 1 1 3969 1 1 1 1 1 1 1 6934 1 1 1 1 1 1 2210 9734 1 2886 1 1 1 1 1 1 1 1 1 1252 2251 1 2852 5893 2064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2255 2125 1 1 1 1 1 2884 1 3243 2909 3553 1 2132 265.147 *265.1576* 265.1576@5.5422354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2142 1 1 1 1 1 265.1576 *265.1584* 265.1584@5.488146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19356 21130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28428 30044 1 1 1 1 265.1584 *265.1657* 265.1657@6.5039787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1591 1 1 1 1026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265.1657 *265.2018* 265.2018@10.15 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265.2018 *265.8427* C4 H Cl3 O3 S2 25003 24376 23422 24197 23316 24457 22985 23339 23659 23276 23329 23602 25302 23858 25024 24049 24065 23954 23087 22977 23464 23981 25086 24801 23462 23554 23387 23182 24119 23875 22508 22789 24075 23793 24257 24002 23943 24723 24320 23781 23785 24399 24380 22419 23308 23171 23972 23790 24759 24929 22834 23672 25152 24238 22368 22656 23343 24158 22499 23325 22473 21685 22747 23777 22888 22068 23075 23572 22519 23290 22446 22951 23188 23423 23284 23692 23097 22800 22969 23385 22834 22754 25037 24137 23245 23184 23245 22770 23598 22774 265.8427 *266.0512* 266.0512@1.9693695 1 1 1 1 1 1 1 1 2181 1 1 1 1 1 1863 2407 1 1 1 1 1 1 1 1 1 1 1723 2381 1 1 2206 1764 1 1 1 1 1 2198 1 1 1 1 3260 2146 1 1 1 1514 1 1 3129 2684 1 1 1 1 1 1502 1 1 1 1 1 1 1 1 1 1 2008 1 1 1 1603 2616 2045 1 1 1 7456 8204 1 1 1 1730 1800 1 2197 2633 1 1 266.0512 *266.0516* Uridine 1 9981 1 10990 1 8044 9270 10028 9176 9566 14774 13982 10656 10729 13153 11740 11902 11433 11580 12644 15726 15140 6490 1 10517 10248 14513 14729 7950 7224 17016 15629 13913 14064 12036 1 9112 8800 10627 10200 9350 9204 12741 12289 9910 9974 9154 9836 1217 1 12128 11148 11955 10361 7243 8556 13136 12254 6850 6322 9901 10150 10063 1 11467 10515 1860 17135 9530 9058 11392 10024 10602 11493 12874 12828 10093 10611 4052 4240 8589 7854 10996 11808 10721 10615 15956 16853 8872 9430 HMDB00296 C00299 266.0516 *266.0526* 266.0526@1.2610364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1665 1717 1688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1258 1 1 266.0526 *266.0528* 266.0528@1.8860873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2360 2099 1 1 1 1 1 1 1 1 1 1 266.0528 *266.0707* 266.0707@3.264497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1128 1 1 1 1 1 1 1 1349 1201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.0707 *266.1012* 266.1012@3.6712112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2933 9386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.1012 *266.1111* 266.1111@0.96494275 1 1 1 1 1 1 1 1 1 1 1 1 1 4472 1 1 1 5427 1 1 1 1 1 1 1 1 1 1 4724 1 1 1 1 1 1 1 1 1 1 1 1 3842 1 1 5646 6295 5506 5993 1 5593 1 1 1 1 1 6292 1142 1 1 1 1 1 1 1 5349 1 3280 1 4060 1 1 1 1 1 1 1 1 1 1 1 4479 1 1 1 1 1 1 1 4908 1 266.1111 *266.1237* 266.1237@3.7087483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1891 1952 1 1 1 1 1 1 1 1 1 1 266.1237 *266.1326* 266.1326@3.5817332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2619 2884 1 1 1 1 1 1 1 1 1 1 1 1 266.1326 *266.1375* 266.1375@4.339791 3864 3741 2449 1 3561 1 1 1 1 3548 1 1 4485 3777 4222 1 1280 1 1 1084 1 1 1 3484 1 4537 1 4085 3709 1 3647 1 1 1 3656 1 1 3203 4208 3933 4448 3487 3559 1 3774 3063 1 1 1 3260 1 1 1 3187 1 1 1 1 1 1 3101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3355 3626 2716 1 3025 3442 1 1 2322 1 1 1 1 266.1375 *266.1375* 266.1375@4.422555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1968 1 1 1 1 1 1 1 1 1 1 1 1 1 3385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.1375 *266.1453* 266.1453@4.413293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1360 1 1 1 1 1 1 1 1 1 1 1 1 1 266.1453 *266.148* 266.148@5.573549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 266.148 *266.1481* 266.1481@5.7449574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1271 1034 1 1 1 1 1 1 1 1 1 1 266.1481 *266.1632* 266.1632@3.5281472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133670 132810 102463 100699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87622 87243 1 1 24747 25103 1 1 1 1 266.1632 *266.1654* 266.1654@10.827814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.1654 *266.1655* Atenolol 3010 3020 2875 2596 3219 2946 3883 3915 2774 2345 3034 3329 2511 2775 3836 4490 2680 2641 4380 3886 4868 4192 3429 3413 4933 4558 3064 3044 3273 3619 3793 4373 3175 3309 3042 3307 2983 2601 4170 4378 2233 2432 2751 3551 3142 3523 3083 3402 2489 2213 6076 6376 4109 4955 2671 2935 2066 2319 2650 3156 4590 4974 3186 3422 3438 3808 3792 3031 3440 3212 2605 2494 2226 2215 3099 3168 2574 2817 3763 3323 3808 3644 2455 2457 1956 2253 2003 2349 4172 3610 HMDB01924 C06833 266.1655 *266.1941* 266.1941@5.8121195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.1941 *266.1965* 266.1965@5.8124614 1 1 1 1 1 1 1 1 1 1 1 1105 1 1 1 1 1 1 1 1169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1069 1 1 1016 1 1 1 1 1 1 1 1 1 1 1127 1 1 1 1 1 1 1 266.1965 *266.2203* 266.2203@1.2489661 1 1266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.2203 *266.2596* 266.2596@14.661581 1 1 1 1 1 1 1 1 1 1 1132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1215 1 1 1 1 1 1 1 1 1 1 1 266.2596 *266.3018* 266.3018@3.5292392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.3018 *267.0214* 267.0214@0.82701296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1086 1 1 267.0214 *267.0686* 267.0686@1.2055004 1 1 1 1 1 1137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2854 1 1 1 267.0686 *267.076* 267.076@1.1966921 1 1 1 1 1 1 1 1 1 1 1 3092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2999 1 1 1 1 1 1 1 1 2608 1 1 1 1 1 1 1 267.076 *267.0824* 267.0824@1.144876 1 1092 1 1 1 1 3952 1 1 1 1 1 1 1 1749 3432 1886 5235 1 1 1 1 2436 2481 1 1 1 1 1 1656 1 1 1 1 1 1786 1 1 1988 1 1 1 1 1 3240 1 1904 1 1 4998 1 4662 1 1 1 1 1 2613 1 1 1 1 1 1 1 1 1 3326 1 1 1 3580 2501 1 3978 1330 1 1986 1 1 1 1 1 1 1 3223 1 2059 1 1 267.0824 *267.0831* C15 H13 N3 S 2564 2217 1 1 1 1 1699 1804 2109 1792 1 1 1505 1631 3082 1723 4625 1845 1782 1670 1 1 3990 3892 2576 3403 1 1099 1 1 5015 4312 1860 1574 3978 3826 1 1 3960 2259 3363 3000 2150 2202 1 1 5490 1889 4280 2153 3516 1760 3917 1 1912 1890 1 1977 6178 5140 4644 4195 4977 4367 1 1 3111 1257 3863 1 2054 2161 1 1 1 3304 3696 3149 1269 1586 4147 3725 1 1584 6616 6240 1 1 4662 1 267.0831 *267.137* 267.137@4.8541164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1062 1 1208 1 1 1 1 1 1079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267.137 *267.147* 267.147@4.186932 1 6891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267.147 *267.1472* 267.1472@4.149144 165873 163323 1 1 106599 109170 1 1 1 1 87005 82692 1 1 1 1 1 1 89407 87982 1 1 1 1 1 1 1 1 1 1 65508 63515 1 1 1 1 1 1 1 1 20532 20265 1 1 1 1 3076 3360 2764 2373 82407 85077 225554 218955 115373 115231 1 1 1 1 70877 61268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2643 2591 113428 113122 5936 4774 207731 200248 1 1 267.1472 *267.1537* 267.1537@8.070486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3131 2818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267.1537 *267.1554* 267.1554@3.0581648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 267.1554 *267.1575* 267.1575@0.8622618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1579 1 1 1 1 1 1 1 1265 1 1 1521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1066 1 1 1 1 1 1 1 1 1 1 267.1575 *267.1762* 267.1762@8.289765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267.1762 *267.1779* 267.1779@8.225555 1 1 1 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5659 3506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267.1779 *267.1833* 267.1833@5.505562 1 1291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267.1833 *267.1841* 267.1841@5.3320045 347281 341105 1 1 1958 1615 1 1 1 1 38644 39347 1 1 1 1 1 1 59055 56551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180375 189256 1 1 1 1 1 1 1 1 43665 42471 734884 732261 223766 229852 1 1 1 1 43261 44410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 566394 558339 1 1 107568 106582 1 1 267.1841 *267.2856* 267.2856@4.150684 2082 1986 1 1 1 1187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2890 2661 1096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2368 1 1 1 267.2856 *267.322* 267.322@5.3309207 5778 5475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2263 1 1 1 1 1 1 1 1 1 1 1 1 3238 2636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10956 10949 1 1 1 1 1 1 267.322 *267.8401* C4 H3 Cl3 O S3 7673 7794 7296 7114 7037 7214 7783 7616 7782 7703 6935 7909 7838 7449 8182 7644 8109 8021 7143 8128 7322 7359 8097 7517 7255 7395 7692 7313 7345 7978 7566 7352 7312 7654 8030 7337 7388 7921 7885 7572 7470 7433 7206 7831 7520 7353 7496 7311 8156 8175 7458 7511 7968 8112 7311 7713 7474 7744 7346 8122 7248 7406 7618 7864 7811 6793 7416 7804 7221 7366 7571 7173 6923 7063 7391 7214 7689 7710 7212 7004 7290 7189 7331 7432 7326 7376 7249 7042 7121 7201 267.8401 *267.9705* 267.9705@0.8870298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1930 1795 1 1 1 1 1 1 1 1 1 1 267.9705 *268.0666* 268.0666@1.2540308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.0666 *268.0764* 268.0764@1.2386223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4006 3274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.0764 *268.0809* Inosine 8732 3315 9401 1 1 6357 1 1 2508 1 1 1 8250 8083 7645 1 1 8652 1 2901 1 1 1 1 1 7230 7393 1 9197 7701 1 1 2920 3124 10352 10828 10908 4698 9823 1 1 10519 1 3945 1 1 1 1 7327 19264 1 8716 12268 12560 3745 3270 8809 9464 5939 4402 9419 1 9073 8285 1 1 2096 2426 13407 6058 9075 2846 1 1 9644 9371 8086 8004 1057 17545 2877 11744 2414 1 3903 1 1 1 1 6287 HMDB00195 C00294 268.0809 *268.0855* 268.0855@1.2423571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2626 2131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1120 1 1 1 1 1 1 1 1 1 1 1 268.0855 *268.1013* 268.1013@1.2334993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1013 *268.1058* 268.1058@1.2310835 1 1 1 1 1 1 1 1 1 1 1 1 4464 4318 1 1 1 4203 1 1 5760 1 2022 1 1 1 1 1 1 1 1 1 1 1 4506 1 1 1 1 1 1 1 1 1 1 1 1 1 6759 1 1 1 1 1 2607 3004 1 1 3390 4405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4758 268.1058 *268.1104* 268.1104@3.115151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3154 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1104 *268.1125* 5-Hydroxymethylcimetidine 4858 6541 11630 7711 3753 4555 5145 7302 4655 4035 13105 13153 1 1 5247 4554 4302 1 9061 9089 1 8475 1 1 9442 9187 6422 10040 3190 3290 1 1 8725 10559 1 3971 4277 5193 4156 4341 4996 4716 6104 8400 1 1 11245 12255 1 6614 1 2406 13028 8219 1 1 7818 7869 1 1 18251 17756 5085 4757 10290 9961 17140 18393 7670 7609 4563 4871 6325 9818 6132 8504 7335 6174 1508 2487 4200 4512 10882 10833 5821 5373 15648 15253 4740 1 268.1125 *268.1158* 268.1158@0.958 1 1 1 1 1183 1322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1146 1232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1814 1722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1158 *268.1189* 268.1189@4.1285458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2998 1 1 1 1 1 1 1 1 1 1 1 18896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1189 *268.1289* 268.1289@5.9679446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1540 1 1836 1 1 1 1 1 1 1 1 1 1 1 2489 1 1 1 268.1289 *268.129* 268.129@5.982605 1 6560 2935 1 3437 1 1 2958 1 1 1 1 7938 1 4317 4186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5240 1 1 4904 1 5432 5529 1 1 1 1 1 2697 1 2432 1 1 2667 1 1 1 5736 1 1 1 3607 1 1 1 2670 1 1 1 1 1 1 1 1 1 2301 1 1 2278 1352 1 6025 1 1 1381 1 6245 1 5177 4143 1 1 1 268.129 *268.1297* C18 H20 S 7012 2099 3751 9001 4728 9089 4304 5094 8825 8543 2519 8896 1735 8528 3180 4366 7254 7396 9959 9139 1 8563 8478 8582 10080 8328 8099 8959 9116 9176 9859 9865 9366 4864 9440 10980 4864 8960 3692 4461 11390 9282 10360 7713 8568 4526 7449 3843 7682 8045 3946 6889 6885 6086 1502 7442 1476 2005 3032 7227 6862 6861 2869 7290 6485 1 7067 7370 7183 6633 7625 8207 4037 8285 3713 5466 6496 4253 2949 8406 8126 1264 7453 1277 7845 2814 1599 1 7544 5319 268.1297 *268.1322* 268.1322@4.1500382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1322 *268.1342* 268.1342@4.1519356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18059 20683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1342 *268.1525* 268.1525@3.5732348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6892 6678 1 1 1 1 1 1 1 1 1 1 268.1525 *268.2019* 268.2019@11.32898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3455 1 1 1 1 1 1 1 1 1 268.2019 *269.0878* 269.0878@2.5321379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3728 3325 1 1 1 1 1 1 1 1 1 1 269.0878 *269.0882* 269.0882@2.6341467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3595 4554 1 1 1 1 1 1 1 1 1 1 269.0882 *269.0891* 269.0891@3.1244638 1 1 1969 1460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9088 11455 1 1 1 1 1 1 1 1 1 1 269.0891 *269.1036* C10 H21 Cl2 N3 O 1906 1 1 4102 2029 1 2436 1 3015 2361 1 1 3847 3642 3629 3951 2505 2613 4548 3789 1 1 2382 2494 1 1 3354 1 2397 1653 2469 2624 1 1 3312 3318 4060 3441 3779 3087 3736 3543 2650 1 1774 1928 1 1 1 1 2555 2649 1 4601 1553 1207 1 1 3723 3344 1 1 3483 2582 1 1 1 1 4272 4650 4181 3786 2729 1 3434 1 4472 3641 3166 2976 3355 2705 1 1 4341 4114 1 1 3609 3639 269.1036 *269.1092* 269.1092@1.22399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.1092 *269.1452* 269.1452@5.330735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2485 2914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4566 4312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.1452 *269.1483* 269.1483@3.6915276 1 1 1 1 1 2730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1717 1 1 1 1 1 1 1 1 1 1 1 1 1 1923 1 1 1 1 1 1 1 1 1 1 4477 1 1 1 1 1 1 4888 1 1 1 1 1 1 1 1 1 1 1210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5343 1 1 1 269.1483 *269.1632* 269.1632@3.2630665 1649 1669 1 1 7337 7333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1286 1126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1123 1 1 269.1632 *269.1825* 269.1825@4.3710475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.1825 *269.2086* 269.2086@6.1868386 1 1 1830 1483 1 1 1 1 1 1 1257 1270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1408 1506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.2086 *269.2351* C16 H31 N O2 1 1829 1 1718 1861 1544 1823 1753 1410 1 1700 1 1836 1560 1 1 1964 1817 1 1536 1753 1680 1686 1 1531 1661 1439 1406 1708 1838 1762 1 1 1880 1709 1758 1432 1442 1787 1643 1 1279 1469 1 1615 1 1 1 1768 1367 1 1 1523 1 1 1 1 1 1 1734 1654 1823 1786 1481 1668 1 1 1 1552 1519 1459 1 1 1464 1 1595 1 1198 1657 1 1783 1546 1796 1 1 1 1410 1445 1 1577 269.2351 *269.2374* 269.2374@14.134427 3697 3728 3116 3253 2953 3814 2956 3008 1482 3156 3266 3660 2923 3223 2755 2887 2802 3135 3248 3300 3054 3354 3254 3087 2473 3694 3079 3051 3091 2633 3145 3518 2907 3325 3274 3204 3639 3396 2476 3080 2988 3521 3023 3023 3177 3007 2957 2702 2602 2446 2823 2757 2465 2505 2983 2884 2335 2486 2425 2794 2556 1 1683 2703 2087 2898 3123 2516 2131 2404 2708 2860 2863 3002 2945 2667 2652 2398 2724 3723 2659 2837 2772 2853 2803 2784 2664 2358 2564 2706 269.2374 *269.272* 269.272@13.539676 1 1 2485 28395 1 1 1751 1 1677 2047 1 2346 1 1 1 27816 2456 1 25916 1897 1718 1 1 1 1 1 1 1 2362 24047 1 1 25066 1 1507 22722 1 1 1 1533 2178 2171 24010 1767 1 2788 1 1157 1 1 1 24167 1 1 2440 24390 1289 1 1 1863 1021 1 1 1 1 1 1 21693 2299 1 1 1 1 1 1 23752 22492 21342 1 1 1 23587 2070 1 1687 1 1 1 1433 1510 269.272 *269.2723* C17 H35 N O 29164 29929 30345 1142 28297 29981 27998 27204 1750 26176 27371 25949 29413 27184 27583 1178 27668 23871 1481 24866 26984 26739 26580 26165 26261 25731 23966 23889 23872 1792 26907 24933 2247 24903 23083 2375 24400 24521 24165 21537 24429 24729 1910 23826 24207 26036 24652 21965 24980 23398 23432 1552 23480 23740 23430 2022 20190 25378 23975 22680 23474 24074 22558 22187 23616 23629 23651 1409 24546 21787 23910 23737 23460 24230 23780 1844 1664 2026 22687 24085 23709 1689 19865 22951 22498 21444 20056 21854 20831 21410 269.2723 *269.2724* 269.2724@13.528085 1 1 1 1 1 1 1 1 27277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.2724 *270.0292* 270.0292@0.82774293 1 1 1 1 1 1 1 1 1 1 1 1 1 1011 1 1 1 1 1008 1152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.0292 *270.0331* 270.0331@3.532073 1 1 1 1 1 1 1 1 1 1 1 1 1412 1656 1 1 1 1885 1 1 1 1 1 1412 1274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1206 1246 1 1 1 1 1 1 1 1 1 1 1 1183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2575 1 1 1 1 1 1 1 1 1 270.0331 *270.0336* C7 H6 N6 O6 8289 8913 7413 8176 11053 11053 11117 11392 9746 9002 8787 9118 8750 8451 9328 9128 9378 9580 7587 8400 9398 9065 9891 9111 9272 9804 9105 8810 8643 7817 9815 8717 8711 8461 10252 10438 9933 9619 8695 8183 8748 8860 9265 10020 9287 10430 12598 13336 10164 10002 10176 10633 11093 10507 9354 8920 10380 9235 9647 9465 9716 9928 8113 8888 8252 9269 10245 9292 8337 8370 7994 8048 11423 10962 8641 8451 8256 8778 8278 8899 7984 8415 11025 10083 7933 7898 7894 7579 10779 10392 270.0336 *270.0341* C15 H10 O3 S 2004 2014 1 1 1 1 5654 4865 4639 5120 1 1 1559 2169 4156 4538 1876 1 5045 4410 1 1 1501 1 1 1301 3279 3455 1 1 6115 6106 1057 1134 1 1 4120 4189 3245 2981 11271 11809 1 1 1 1 8091 7576 1 1 2648 2678 9812 9978 1 1 1 1 1 1 1 1 1 1 1 1 1441 1612 4115 3846 1038 1311 1836 1631 1 1 5037 5016 1 1028 1 2909 1 1 1 1 1 1 1576 1583 270.0341 *270.0679* 270.0679@3.042097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.0679 *270.0696* 270.0696@3.0431716 1 1 1 1 1 1 1 1 1 1573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1044 1619 1 1 1 1 1 1 1 1 1 1 1 1328 1 1 1907 1887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.0696 *270.0725* 270.0725@4.5149136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1289 1163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.0725 *270.0764* 270.0764@0.97101146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.0764 *270.0786* 270.0786@3.0359352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.0786 *270.0829* 270.0829@0.97068465 1158 1 1 1 1 1 1 1 1160 1 1 1 1 1 1 1 1 1067 1 1032 1 1 1255 1316 1 1 1 1 1050 1 1 1 1 1167 1 1104 1374 1294 1073 1 1 1 1 1 1 1 1 1 1 1 1 1 1107 1354 1 1 1 1 1405 1682 1163 1074 1309 1 1 1 1 1 1 1 1118 1148 1 1 1 1 1 1 1 1 1 1303 1 1 1041 1320 1 1 1 1224 270.0829 *270.0852* Chloramphenicol alcohol 1 1 18429 1 9223 1 1 15218 1 1 19197 1 1 1 2078 19160 22253 21516 1 1 34424 35751 1 1 1 1 27622 28428 1 1 32329 33795 1 1 16550 14039 1 16138 1 1184 1 1 15361 1 1 1 1 1 33483 34575 24852 1 19779 1 1 1 19699 17959 1 1 19464 20520 23521 1 1 1 6412 6413 18433 17373 17355 1 1 1 1 2796 1 1 1 1 19474 20759 17199 1 4770 26964 1 1 7184 7155 270.0852 *270.1077* 270.1077@3.5396433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1112 1421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.1077 *270.1286* 270.1286@9.870417 1 1499 1 1529 1342 1 1 1 1 1 1 1 1395 1 1089 1 1 1 1323 1 1129 1196 1247 1 1 1 1 1 1125 1062 1 1 1114 1 1 1 1260 1 1 1 1124 1 1 1 1 1085 1121 1212 1274 1154 1 1 1249 1438 1 1064 1118 1 1 1001 1 1058 1050 1124 1 1239 1 1184 1165 1 1 1 1362 1 1225 1 1007 1 1036 1 1169 1151 1 1 1 1 1 1167 1266 1 270.1286 *270.1311* 270.1311@0.93501884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1960 1 1 1 1 1 2297 1 1 1 1 1 1 1 1 1 1 270.1311 *270.1404* 270.1404@4.0661273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1414 1430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.1404 *270.1543* 270.1543@4.8169656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.1543 *270.1549* 270.1549@4.2726603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2078 1999 1 1 1 1 1 1 1 1 9505 8840 1 1 1 1 1 1 1314 1443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.1549 *270.1725* 270.1725@5.2595615 1 1 1 1 1 1 1 1 1 1 1 1 6074 6101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.1725 *270.2178* 270.2178@10.751504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.2178 *270.2184* 3-keto palmitic acid 1354 1241 1 1643 1124 1892 1306 2353 3572 1365 1 1 2309 1457 1811 1 1364 3996 1781 1122 1520 1529 1 1243 2193 1391 2137 1275 1 1963 1 1642 3452 1918 1 2072 1840 1 1 1 2101 4033 1400 1193 1726 1 1 1 2141 1434 1759 1 2600 2261 2902 1 2004 1 1965 1 1 1 1 1 1 1 1 1 1753 1939 1116 1924 1 1 1 1 1 1 1 2331 1 1 2684 1368 1747 1160 1 1 1434 1004 270.2184 *270.2184* 270.2184@11.11437 1806 1 1 1 1 1 1 1725 2207 3431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1265 1 1 1 1 1 1 3403 1 1 2424 1 1 1 1 1 1 1 1 1 1 1 2164 1 1 1 1 1 1 1 1 1 1987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.2184 *270.2261* 270.2261@11.039005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.2261 *270.2675* C16 H34 N2 O 30758 30827 31048 31430 31140 29098 29792 30876 31134 31256 29358 1 30409 30194 29386 29420 28991 28946 28735 28070 30401 29767 28444 28606 28143 28606 26601 23046 28276 27057 25500 26314 27752 27127 27281 26932 26286 27219 28095 27790 27246 27722 22384 26781 26956 28439 27613 26194 27218 26705 27131 27435 27896 27345 27060 27252 25809 26594 25898 26456 26550 26736 26503 26199 25291 25659 25692 27088 26550 26883 1783 25867 26327 26904 26262 25726 24451 26341 26376 24652 24774 23413 23702 24403 25019 25860 24101 24304 24936 23550 270.2675 *270.2682* 270.2682@14.006547 1 1 1 1 1 1 1 1 1 1 1 30802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4833 1 1 1 1 1 1 1072 1 1 1 1 1 1 1144 1 1 1 1 1 1 1000 1 1 1 1 1 1 25665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.2682 *271.0501* 271.0501@0.9029975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2172 1 1 1 1897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.0501 *271.097* 271.097@7.6351433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.097 *271.0983* 271.0983@5.006505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6025 5364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.0983 *271.1043* 271.1043@3.2471237 1 1 1 1 1 1 1 1 1 1 1 1 1952 1968 1 1 1 1 1 1 1 1 1702 1439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1403 1563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.1043 *271.107* 271.107@3.6009605 1 1 1 1 1458 14761 8878 1 1 1 1 1 1 12027 1 1 17848 18306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10628 1 1 1 1 1 1 1 1 1 10958 10896 1 1 1 1 1 1 1 1 1 1 18609 3385 271.107 *271.1157* 271.1157@1.0090063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.1157 *271.1208* 271.1208@1.2466818 1 1 1 1 1 1 1 1 1 1 1 1 1 1205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1708 1340 1 1 1 1 1 1 1 1 1 1 271.1208 *271.1303* 271.1303@1.1429822 1 1424 1 1 1 1 1282 1178 1 1 1 1 1 1 1 1 1292 1334 1 1115 1 1 1 1 1 1 1 1 1 1 1 1 1 1073 1 1 1 1 1 1 1 1 1088 1127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.1303 *271.1575* 271.1575@7.0642877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3644 3899 1209 1442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2367 1809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2442 2344 271.1575 *271.1583* 271.1583@5.6736336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1033 1029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1676 1 271.1583 *271.1788* 271.1788@4.5703845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1460 1666 1 1 1895 1978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1163 1182 271.1788 *271.1795* 271.1795@8.505888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5244 1 1 1 4210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.1795 *271.2157* 271.2157@10.703253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1652 1 1 2988 1 1 1 1 2017 1 2992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.2157 *271.2161* C15 H29 N O3 3946 4666 4610 5471 4332 4578 4291 3702 4629 3549 4368 3800 4112 4427 4846 4323 4274 4322 4677 4446 2448 5097 4354 2669 4472 4283 3740 4172 3357 4179 1552 3761 3472 4054 4393 4275 4157 3980 4272 4152 4472 4454 4221 3854 3237 2870 3282 1256 3287 3276 3803 3116 3724 3899 3377 4100 3376 4011 5399 7270 7202 5434 5047 5030 5496 4380 4926 4935 4888 4769 4701 4334 4328 4153 4140 4342 3514 4895 4755 4339 3998 4868 4287 4018 4650 4530 4292 4577 4189 4082 271.2161 *271.2479* C12 H29 N7 1 2162 1835 2777 1 2130 1 1911 1 1 2043 2330 1 2296 1 1542 1783 1823 1 1 1798 1 1414 2551 1674 2079 2170 1959 1 1446 1 1586 1 1 1436 2370 2410 1148 1 2357 1 1407 1680 1 2352 1764 1 1 2082 1467 1 1858 1 1357 1 1 1 1118 2037 1665 1010 2382 1644 1 2049 1129 2159 1482 1657 1358 1 1 1 1 1 1553 1 1701 1 1 1453 1420 1665 1799 1 1 1337 1 1441 1526 271.2479 *271.2509* 2R-aminohexadecanoic acid 1459 1 1456 1 1 1686 1482 1403 1512 1463 1604 1932 1 1490 1368 1275 1240 1 1 1409 1405 1370 1553 1518 1717 1574 1 1 1 1435 1141 1 1 1 1429 1 1 1 1 1 1 1533 1 1674 1571 1814 1182 1 1393 1 1 1 1398 1269 1 1371 1854 1277 1 1499 1 1 1 1561 1728 1356 1260 1483 1 1370 1601 1168 1277 1 1 1087 1 1179 1516 1 1171 1565 1 1 1158 1 1 1 1 1 271.2509 *271.2514* 271.2514@11.525326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.2514 *271.2684* 271.2684@13.991764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.2684 *271.9375* C8 H4 N2 O3 S3 12156 11001 11243 11152 11088 10685 11670 10551 11608 10133 10912 9419 9692 11089 11894 13780 10456 11548 10941 10297 9890 10091 10185 12461 10906 9955 10103 10235 9758 10343 10026 10776 10472 11544 12073 11930 10422 10875 9646 10994 9600 11936 12333 10189 10123 10507 10321 9397 11629 12933 11441 11784 14337 12188 11043 9920 11455 11875 10889 9933 11213 11710 11350 11997 11618 10838 11808 11600 9608 9338 11321 11852 9716 11395 11775 10246 9869 10140 10757 11497 11008 9723 10902 12464 11441 13425 11268 10682 11127 9922 271.9375 *271.9679* 271.9679@0.77801657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1000 1 1043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.9679 *271.9725* 271.9725@0.7746854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1380 1243 1 1 1 1 1042 1 1 1 1 1 1 1006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1068 1012 1 1 1 1349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1481 1155 1 1 1 1 271.9725 *272.0407* 272.0407@1.0170093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1134 1498 1664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.0407 *272.0491* 272.0491@0.8984025 1 1 1 1 1 1 1 1 1 1 1 1 1098 1159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1551 1453 1 1 1 1565 1 1 1 1 1747 2154 1 1 1154 1529 1 1 1098 1036 1 1 1 1 1 1 1 1 1004 1231 1169 1104 1269 1 1 1 1380 1458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1375 1324 1 1 272.0491 *272.0869* 272.0869@0.9504837 1 1 1 1 1044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.0869 *272.0919* 272.0919@0.8919996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.0919 *272.097* 272.097@0.890999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1262 1 1175 1 1 1 1184 1315 1 1411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.097 *272.1024* 272.1024@1.2023897 1 1 1 1 1 1 3554 1 1 1 2192 2292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1903 1866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1961 1715 1 1 1 1 1645 1640 1 1 1 1 1 1 2780 3793 1 1 1566 1612 1 1 1 1 1 1292 2829 3538 1 1 272.1024 *272.1028* 272.1028@3.0731864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1467 1161 1 1 1 1 1 1 1 1 1 1 272.1028 *272.1029* 272.1029@1.2465348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1758 1880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.1029 *272.1143* 272.1143@1.2410078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.1143 *272.119* 272.119@3.4535983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5451 5659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.119 *272.1294* 272.1294@0.8215134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4695 5999 2166 1623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.1294 *272.1296* 272.1296@4.967391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1497 1 1 1 1 1 1 272.1296 *272.1302* 272.1302@4.9252524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33853 16737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.1302 *272.1608* 272.1608@5.5348325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.1608 *272.1625* 272.1625@7.8245287 1 1 1 1071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11067 11856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1376 1645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.1625 *272.1637* 272.1637@11.116718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1965 1956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.1637 *272.1648* 272.1648@9.375233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1181 1068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.1648 *272.1744* C13 H24 N2 O4 1 1061 1 1311 1304 1231 1 1239 1254 1408 1273 1227 1302 1461 1272 1241 1402 1402 1265 1208 1484 1350 1489 1321 1461 1358 1426 1501 1226 1 1259 1371 1748 1316 1321 1063 1410 1371 1167 1419 1367 1131 1232 1274 1429 1661 1593 1298 1349 1255 1455 1162 1249 1260 1397 1442 1 1357 1254 1314 1 1351 1 1206 1281 1432 1472 1418 1494 1276 1464 1 1355 1 1375 1 1610 1271 1335 1514 1421 1239 1313 1414 1373 1 1 1602 1209 1333 272.1744 *272.175* 272.175@9.341744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.175 *272.1788* 272.1788@11.651499 1 1 1475 1185 1143 1 1298 1 1 1 1254 1 1315 1 1193 1 1 1 1 1035 1 1 1 1166 1 1 1 1 1 1097 1666 1 1 1 1 1226 1 1316 1248 1391 1 1 1 1412 1280 1159 1 1 1 1 1 1 1 1 1 1309 1 1 1307 1022 1260 1051 1 1150 1 1156 1 1 1054 1 1 1 1 1 1212 1 1148 1 1260 1 1 1125 1 1 1 1 1060 1 1 1215 272.1788 *272.1996* 3-methyl-tetradecanedioic acid 26450 27713 26313 26867 26932 26546 25727 26325 25869 27244 25974 26261 26021 25755 26010 25457 26173 24682 24843 26518 25042 24902 25129 25167 24590 24362 23593 25412 24699 23969 22830 24874 24873 24740 24395 24654 24760 23096 23639 24542 24810 23148 24911 24497 23938 24490 22904 24653 23851 24696 23297 25354 24413 24833 24496 24229 23494 24499 24805 23824 20440 22868 24518 23055 22265 23743 22507 22586 22820 23539 23726 22392 23680 22746 22963 23681 21873 21212 22361 21690 22504 22985 15045 22327 21661 22721 22040 21919 20623 21675 272.1996 *273.0762* 273.0762@7.3401937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.0762 *273.0846* PISCIDIC ACID + 0.9124123 1196 1268 1 1364 1671 1 1094 1 1206 1333 1170 1 1268 1 1266 1 1169 1 1910 1666 1 2101 2948 3036 1 1 1 1422 1436 1593 1277 1224 1 1 1634 1 3198 2145 1317 1 2056 1 1188 1 1639 1 1511 1 1 1301 1055 1 1626 1 1 1 1 1 1 1 1 1639 1 1060 1 1490 1 1 1 1 2564 1743 1 1 1278 1 1 1819 5183 5400 1 1 1 1179 1911 1 1 1 3102 1 273.0846 *273.0855* C12 H11 N5 O3 2395 3128 4853 3511 2611 2575 3101 1349 3071 3222 2434 2284 3036 2824 2253 2389 2721 4347 4289 4102 3300 2591 4258 4503 1897 2597 2928 2815 2758 3218 4580 4047 4926 5037 2896 4737 6040 8200 4401 6205 3680 5282 3657 4803 4731 4504 4576 6488 3002 3134 3915 5121 4443 5865 3542 4119 2650 2559 7059 6222 5976 4288 6661 4887 3950 2896 1885 2469 5157 4135 5852 5836 3731 2581 2814 4100 5340 3771 5445 6022 5523 5330 2918 2820 6028 6854 3417 1 6213 9675 273.0855 *273.0887* 273.0887@1.245547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9889 10498 1 1 1 1 1 1 1 1 1 1 273.0887 *273.118* 273.118@1.2410301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.118 *273.1351* 273.1351@3.0648918 1 1 1203 1384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.1351 *273.1371* 273.1371@3.42554 1 1 3629 3630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4035 4060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.1371 *273.142* 273.142@1.2420077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.142 *273.148* 273.148@1.2360146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.148 *273.1802* 273.1802@1.1286882 1111 1 1 1 1 1 1681 1841 1 1 1 1 1 1 1 1 1 1 1 1167 1 1 1 1 1 1 1 1 1 1 1 1 1705 1643 1 1 1 1 1 1 1300 1214 2751 2003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.1802 *273.1945* 273.1945@6.749154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.1945 *273.2311* 273.2311@8.499368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1205 1 1 1 1 1 1 1 1 1177 1058 1 1 1 1 1 1 1 1 1078 1 1 1 1 1 1 1 1267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.2311 *273.2663* C16 Sphinganine 4501 3772 4107 3725 3820 4035 4371 3871 3785 3977 4024 3380 3668 3321 3828 4304 4066 3567 3973 4152 3677 3176 2692 3724 3443 3673 4279 4186 4069 3716 3983 4197 3828 3591 3813 4311 3863 3961 3915 3629 4312 4032 4280 3805 3584 3798 3553 2925 3525 3856 3582 3433 3429 4229 3463 3598 1 3524 3353 3293 3643 3740 2614 2930 3637 3171 3286 4028 3510 3175 3180 3195 3218 3761 2869 3151 3727 3112 3049 3205 2793 3709 3883 3159 2895 3076 3685 3820 3038 4555 273.2663 *273.8744* C5 Cl2 O7 S 20432 20771 20344 20369 21605 20819 21295 21050 21240 20868 22043 20657 35844 20716 22054 35813 22336 20801 21217 20972 20272 21217 21126 21390 1 21322 20819 21059 1 20555 21109 20918 20241 36043 21313 21307 35070 21498 1 20667 20948 20905 20842 21076 21256 1 20513 20902 21671 21673 21185 20670 36250 1 20642 19714 13306 21423 1 20973 20897 20881 1 21706 20457 20159 21215 20081 20341 21399 20392 20039 21139 20491 1 20283 1 19886 20545 20749 34140 19955 35978 34232 20113 20375 1 20118 20557 19946 273.8744 *273.8748* 273.8748@0.8341072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21264 1 1 1 21998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20763 1 1 1 1 1 1 1 20696 1 1 7463 1 20020 1 1 1 21222 1 1 1 1 1 1 1 1 1 1 1 20469 1 20679 1 1 1 1 1 1 1 1 1 19812 1 1 1 273.8748 *273.9933* 273.9933@0.8409937 1 1 1 1 1 1 1 1 1 1070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1035 1 1 1 1 1 1 1 1 1 1 1 1 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.9933 *274.0586* 274.0586@8.401297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1713 1880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.0586 *274.0723* 274.0723@4.4376526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2176 1998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.0723 *274.0863* 274.0863@0.92453146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1915 1795 1 1 1 1 1 1 1 1 1 1 274.0863 *274.1028* 274.1028@3.0880675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.1028 *274.1031* 274.1031@3.6884735 1 1 1 1 1 1 1 1 1 1 1 1635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2450 1 1 1 1539 1 1 1 1147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2546 1 1 1 1 1 1 1 1 1 1 1 1 274.1031 *274.1042* 274.1042@2.223475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10857 11833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.1042 *274.1294* Carboxyprimaquine 1 1 4035 4024 1 1 1 1 5252 5565 1 1 4583 4406 1 1 1 1 6529 6671 1 1 1 1 2426 2186 4668 3837 1 1 1 1 5570 5435 4074 3961 1 1 1 1 4786 5042 6053 5931 1 1 1 1 1 1 3618 3350 5270 6281 3392 3543 4181 1 6047 6276 1 1 4541 4368 1960 2893 3064 3763 1 4911 4205 3877 2941 2174 1 1 4549 4429 1 4078 1 1 7335 6670 1 4089 3082 3222 3824 3962 274.1294 *274.1431* 274.1431@1.244182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4141 1 8374 1 1 1 1 4988 1 4033 3756 1 1 1 1 1 1 1 1 1 1 1 1 1 1945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.1431 *274.145* 274.145@1.2450099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8462 1 1 1 1 1 1 4801 1 1 1 1 1 1 7124 1 7831 7786 1 1 1 1 1 1 7121 6908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7785 1 1 1 1 7553 1 1 1 1 1 1 1 1 1 274.145 *274.1487* 274.1487@1.2454876 6760 7165 1 1 1 1777 5871 6050 1 1 1 1 1 1 6322 6163 4373 1 1 1 3635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7627 1 1 1 1 1 1 2249 1 1 1 6446 5584 1 1 1 1 1 1 1 1 1 1 9745 9308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8396 1 1 1 1 1 1 1 1 274.1487 *274.159* 274.159@1.2459619 1 1 1 1 2290 1 1 1 1 1 1 1 1 1 1 1 1 3320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.159 *274.1633* 274.1633@1.0125576 1 1 1 1 1 1 1 1 1 1 1120 1363 1 1 1184 1454 1786 1587 1545 1613 1 1 1 1 3411 3472 1 1 1 1 1 1 4302 4438 4246 4119 1939 2464 5435 5129 1693 1 1 1 1 1 1 1037 1905 2226 2595 2923 3595 3577 1 1 1 1 1 1 1 1 1 1 1 1 1976 1822 1 1 1 1 1 1 1297 1045 1 1 1 1 1691 2108 5171 4468 1 1 5760 6510 3663 3610 274.1633 *274.1664* 274.1664@1.2454903 1 1 1 1 1 1 1 1 1 1 3227 4403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.1664 *274.2503* 274.2503@12.805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.2503 *274.2511* C16 H34 O3 53338 53531 52852 53208 52620 54234 52088 50060 51494 31555 51372 53406 52501 50728 50885 46841 50485 50781 51364 51360 51498 50276 50517 51448 51901 48490 50207 47635 48088 49244 50497 47765 48705 52670 49615 47236 48800 50226 50016 48317 48512 49506 50232 51060 51535 50470 51497 50121 49997 50534 51297 48443 50674 49474 50091 48854 46500 49172 50337 49416 48958 48590 48504 49114 48279 49115 48187 45960 48817 48476 48061 47944 47317 50157 51028 48040 48532 46558 47194 47566 46487 47759 48339 45960 46558 47723 47261 46430 47306 47654 274.2511 *274.9845* 274.9845@3.2056642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2028 1910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1846 1628 274.9845 *275.0782* 275.0782@1.0142488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1315 1334 1 1 1 1 1199 1116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.0782 *275.1101* 275.1101@0.9600339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3020 1 1 1 1 1 1 1 1 1 1 275.1101 *275.1123* Ala Ala Asp 3271 3002 2382 1913 4740 6123 3433 4024 5350 5944 4734 3449 2189 2305 1725 2596 2060 3018 1841 2143 3017 3906 2110 2233 4456 3323 2480 2577 3781 3046 2203 2559 3529 3689 3110 2054 2583 2864 2296 3095 3112 3972 2111 2069 3548 2292 2066 1453 1688 2770 3989 2751 4298 5061 4266 4483 3440 3230 3959 5234 3939 3042 2642 3146 3223 2528 2093 2901 4087 3352 2356 2256 3881 4889 3555 2364 2272 1 5341 1812 4269 3878 6979 6157 2599 2187 6532 4440 2592 2658 275.1123 *275.1135* 275.1135@1.0660379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2011 1832 1 1 1 1 1 1 1 1 1 1 275.1135 *275.1178* 275.1178@1.242047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6232 5227 1 1 1 1 1 1 1 1 1 1 275.1178 *275.1285* 275.1285@3.5274909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2749 4342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8127 4937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.1285 *275.1295* 275.1295@3.8489897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252795 252242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370776 373495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.1295 *275.1369* C13 H25 N O S2 11617 12520 24841 24815 11110 11059 15984 16853 12895 12598 17900 18636 8623 9108 9587 9252 11553 11633 26599 26758 13999 14561 7868 7969 13144 12601 13035 13003 7812 8389 14276 13080 24800 26095 9968 10509 27487 27835 13402 13258 9026 9046 18312 17721 11319 10533 17860 18483 14657 15481 12626 12145 18469 18185 8747 8918 19313 19747 14809 14783 18372 17939 12984 12376 9701 10221 14729 14976 12290 12715 13018 12469 21133 20910 22571 23209 10915 10815 16068 16212 11556 11840 11737 12246 16574 16696 14820 15654 19590 18758 275.1369 *275.1372* C13 H25 N O S2 + 3.206521 1524 1591 3356 4102 2381 2360 3041 3325 6420 6074 5936 5676 4059 3896 4058 4231 3731 3549 6767 6274 6817 6056 12014 11527 1863 2122 4509 4857 2706 2804 2899 3307 3718 3287 3022 2702 2325 2551 3743 4012 4753 4473 4958 5384 3418 3688 5365 5857 9759 9473 8416 8671 9927 10189 2965 3341 3394 3763 24414 26545 16413 17038 5576 5449 6077 6771 5661 5872 6154 5967 5712 5278 4061 5075 4768 5097 6473 6906 4929 4603 4458 4308 2555 2465 7131 7159 5111 5650 14888 15593 275.1372 *275.1373* 275.1373@3.7127593 1 1 1 1 1 1 2212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.1373 *275.1748* 275.1748@3.850086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1454 1413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1761 1507 1 1 275.1748 *275.1883* Meradimate + 9.5246935 3579 3639 3386 3935 2859 3660 3431 1359 2898 2463 3421 2928 2691 2664 3218 2861 3217 2908 3711 3105 2301 3421 3138 3305 2679 2872 3049 3328 3235 3161 2194 2606 3495 2645 2219 2733 2737 2274 2679 2764 2502 2916 3176 2956 3494 3231 2825 3201 2559 2630 2960 3188 3316 2945 2849 3775 1939 3273 3317 3470 2852 2793 3205 2574 3690 2227 3147 2746 3116 2318 2806 2949 2332 2758 2710 2479 3048 3117 2378 2801 2545 3352 2663 3647 2696 2568 3419 2962 2603 2455 275.1883 *275.1887* Meradimate 52556 54493 53965 54242 53906 56266 53275 56642 56293 49210 52784 55956 52825 54036 52956 54352 52436 53180 52178 53124 53768 52684 52486 52560 52236 53737 50682 52167 52549 50547 49525 50195 47903 53698 53419 53269 53226 52390 53761 53404 51229 51619 23411 50770 48770 53156 51392 52178 47983 52029 51351 50833 52733 51999 52127 50265 50497 51244 48385 50498 50635 50821 50674 50007 50300 49414 50171 47937 50725 49398 49902 49015 48293 47975 49452 48874 47426 48579 50345 50537 50019 49546 47241 48318 46250 47496 46767 47230 47776 51058 275.1887 *275.1887* 275.1887@7.0114813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8303 8406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.1887 *275.1889* Meradimate + 9.747628 3611 3547 3126 3387 2737 3062 3375 3642 3417 3862 3602 3312 3987 3415 4137 1 3181 3843 1 2890 3366 3558 3661 3103 4114 4357 3853 3783 3695 3189 3516 3891 2846 3244 3306 2795 3687 3457 2709 3963 3615 2987 3199 3656 3293 3959 3764 3386 4047 3190 2273 3622 3258 3836 2972 3483 1 3716 2454 3673 3416 3502 2893 2803 3495 3832 3926 3721 3505 3922 3000 2859 2877 2785 3014 3192 3023 2243 3734 2883 3463 3113 3032 1 3275 3199 3520 2919 2962 3144 275.1889 *275.1894* 275.1894@8.373689 1 1 1 1 1 1 1 1 1 6568 1 1 1 1 1 1001 1 1 1 1 1 1 1 1 1 1 1 1532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19661 1 1311 1 1 1 1 1 1 1 1 1 1 1 1 1513 1 1 1 1 1 1 1236 1 1 1 1 1 1 1 1 1622 1 1 1 3784 1 1 1 1 1 1 5509 4190 1799 1 1 1 275.1894 *275.191* 275.191@8.400592 1 1 1 1 1 1 1 1 1 1793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.191 *275.2077* 275.2077@4.3277783 1 1 1 1 1307 1134 1 1 1 1 1 1 1 1 1 1 1 1 1 1250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.2077 *275.2684* 275.2684@3.8470135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.2684 *275.3228* 275.3228@3.8470073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1464 1247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.3228 *275.872* C5 H2 Cl2 O5 S2 13282 13714 12995 13348 13344 13885 13010 13750 13634 12868 13130 13120 1 13949 14033 1 14423 13943 13583 13293 12755 13266 12745 13505 12840 13636 13330 13058 13422 13074 13382 12748 13970 1 13569 13262 1 13195 14029 13504 13184 12862 14091 13091 12999 13486 14160 13361 14052 13932 13376 13354 1 12681 13726 13120 13485 13742 13365 13539 13099 13539 13317 13152 12921 12136 13127 12281 13256 13272 13204 12828 12960 13321 12906 12412 12549 1 13181 13233 1 13097 1 1 13376 13094 13373 1 12557 13286 275.872 *275.9782* 275.9782@0.88545877 1 1 1 1 1188 1369 1231 1412 1 1 1 1112 1 1 1006 1 1058 1 1 1 1 1 1 1 1 1165 1 1082 1 1 1121 1 1 1 1 1 1 1 1 1 1018 1 1 1 1116 1 1426 1302 1 1 1191 1 1 1 1 1 1145 1435 1172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1308 1 1 1 1 1 1 1 1 1101 1 1 1093 1 1 1198 1 275.9782 *276.0497* 276.0497@6.1683135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2456 2373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.0497 *276.0709* 276.0709@1.1890028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1991 2137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.0709 *276.0826* 276.0826@1.1127946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2642 3051 1 1 1 1 1 1 1 1 1 1 2013 1708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1782 1261 1 1 1952 1917 1 1 1 1 276.0826 *276.0947* Glu Glu 1 1 1 1 6618 7012 1872 1919 6444 6250 3519 3365 14195 14884 2313 2610 1 1 1699 1758 2274 2047 4529 4343 1 1 1 1 3828 4223 1 1 3540 3073 1800 2097 1 1 1523 1767 5277 5064 1 1 2725 2376 1 1 1 1 1322 1306 11002 11056 1 1836 1 3302 4919 4464 1 1 1 1 4603 3933 1 1 1852 1800 4631 4535 4287 3849 7354 7811 5356 5053 5926 5772 3040 3133 1393 1696 6317 5915 2392 2338 2672 2566 276.0947 *276.1027* 276.1027@3.7355468 1 1 4532 3526 1 1 1 1 1 4528 1 1 4090 4273 1826 3588 4597 3231 1 3977 1 4768 1 1 3562 3779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4840 3152 1 2852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1900 1 1 1 276.1027 *276.1117* Asn Gly Ser 4219 4151 1 1 5562 4918 4625 4346 4370 1 3218 4847 1 1 1655 1 1 1 4212 1 3933 1 3926 4371 1 1 4653 4876 4963 4982 4819 4248 4551 4287 2938 4557 5441 5153 5445 5356 4439 1 1432 4960 1 1 1 1 1 1 1 1 1 4187 1 3956 3101 3020 2984 1 1 1 3485 2984 3651 1 3383 3361 1 1 3119 3198 3060 2758 3117 1346 3340 3460 3190 1 1 1 1 3469 4058 1 1 3326 2403 2512 276.1117 *276.1129* 276.1129@3.7087207 1 1 1 1 1 1 1 1 1 1 1678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1630 1 1 1 1 1 1 1 1 1 1 1 3366 3567 4227 4089 4296 4419 3979 1 3653 1 1 1 1 1 3807 3590 1 1 1 3391 1 1 4802 4977 1 1 1 1 1 1 1 1 1980 1 4068 3945 3140 1 1 3634 1441 1 1 1 276.1129 *276.1194* 276.1194@5.6088657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1421 1 1 1 1 1 1 1 1 1 1573 276.1194 *276.122* 3'-Hydroxytrimethoprim 6107 6816 7215 7385 6487 6953 7264 6621 7300 6937 6334 6194 6496 6442 6821 6162 7406 6998 6096 6605 6363 6772 6485 6423 5450 7365 11647 13480 5994 6739 6046 5490 7117 6910 6693 7694 7053 6367 6702 6579 6657 6416 6339 6317 6808 5808 6596 6340 6921 5795 3022 6521 6622 6696 6061 5362 6750 5744 6534 6764 5258 6003 5656 6209 6790 6170 5420 6138 3109 4834 5662 5853 5941 6275 5677 6011 6499 6176 6631 7125 5628 4943 6333 6119 6426 5167 6294 6265 5345 5717 276.122 *276.1413* 276.1413@0.8959996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.1413 *276.1419* 276.1419@8.502713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.1419 *276.1735* cyclandelate 3230 3847 3274 4161 4599 3826 3939 4192 4360 4098 3299 3360 4162 3487 3908 3797 4144 3563 3885 4027 3934 4202 3430 3201 3731 3709 3360 2859 3701 3334 4560 4646 3661 3837 4416 3917 3857 3736 3555 3328 3116 2945 3816 3836 4197 4283 4287 3897 3820 3780 3895 4244 4128 3915 3609 3525 3643 3968 3372 3602 3348 4229 2787 3204 3929 4166 3902 3299 3853 3558 2508 3422 3371 3339 2576 3141 3166 2963 3591 3968 3795 4076 3248 3536 3022 3182 3650 3684 3254 3920 276.1735 *276.1738* 276.1738@11.332805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.1738 *276.1739* cyclandelate + 11.3055525 12669 15905 13959 13556 14166 14157 14690 15405 14734 13358 12607 14113 13490 13531 15496 13124 14432 12393 13587 12617 14202 14032 14105 13849 14431 13134 13969 12217 15017 14713 14199 13870 14010 14127 13865 13008 14181 12772 14966 14529 13271 14650 13499 13693 12980 13853 15259 13581 14489 13966 12775 14033 15355 15648 13785 14372 14092 12991 14213 13310 13727 15327 13414 15256 11874 14986 13904 13270 13364 12369 13359 13776 13792 14422 14588 13565 12272 12514 12016 13086 15074 12819 13890 13425 12838 13912 14516 13138 14106 12056 276.1739 *276.1802* 276.1802@11.350673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.1802 *276.1899* C14 H28 O5 5574 2311 2149 2534 5663 2252 5152 2356 5565 5891 6062 2894 2259 6155 1 1472 1 1 5251 1216 1 2448 2336 1 6354 6447 1 1 1 5479 1 1 6003 2915 2365 2664 4643 5107 2282 2315 2203 2084 2653 1 1 1 4322 1974 1 3543 4192 1 1 1 5337 1 5180 2198 1 1 4968 2170 1909 1 5431 4781 5453 1 1 1 1 1047 4890 1 1 1 3515 1 1 1 4549 4091 5351 1 1 1 1 2007 1 4229 276.1899 *276.1915* 276.1915@8.262921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.1915 *277.0826* 277.0826@1.209018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.0826 *277.1174* 277.1174@2.7155576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2719 10193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.1174 *277.1175* 277.1175@1.2261838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1209 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1005 1094 1 1 1 1 1 1 1212 1011 1 1 1 1 1 1 277.1175 *277.1198* 277.1198@2.9278638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1301 1313 1 1 1 1 1 1 1 1 1 1 1 1010 1 1 1 1 1 1 1669 1808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1947 2561 3490 1197 1 1 1 1 2458 2886 1 1 1730 1 2040 1 1 1 1 1 277.1198 *277.125* 277.125@3.5269725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.125 *277.1274* 277.1274@2.9729085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.1274 *277.1789* 277.1789@4.8209567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1299 1 1 3691 4090 1616 1702 1 1 1 1 1 1 2122 1244 1 1 1 1646 1 1 1744 3114 1 1 1895 1824 277.1789 *277.2056* 277.2056@6.10647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1813355 1840963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.2056 *277.2341* 277.2341@13.261048 1 1 1 1 1 1 1347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.2341 *277.2595* 277.2595@12.056834 1 1 2585 2298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2156 1 1 2292 1 1 1 1 1 1 1 1 2232 1 2221 1 1 1 1 2256 1 1 1 1 1888 1 1 1 1999 1 1 1 1 1 1 1 1 1 1 1 1 1795 1 1 1 2067 1960 1 1 1 1 1 1 1 1 1 1 1 1911 277.2595 *277.8669* C8 Cl2 O3 S2 5694 5484 5589 4777 5479 6080 5969 6215 5578 5297 5634 5143 5802 1 5895 5965 5503 5761 5063 5903 1 5404 5253 5660 5627 5497 5007 5315 5726 5686 5752 5418 5992 5588 5539 5875 5561 5694 6190 5168 5666 5848 5366 5403 5000 1 5543 5995 1 5450 5693 1 5229 5664 5336 5524 3697 5641 1 5369 8014 5177 6133 5479 5606 5188 6263 5712 5408 1 5486 4876 5885 5743 5254 5489 5326 5636 5028 5591 5739 4883 5927 1 1 6436 4829 5186 5541 5298 277.8669 *277.8709* 277.8709@0.8340152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5646 1 1 1 1 1 277.8709 *277.9748* 277.9748@0.7912694 1 1341 1464 1 1 1 1 1577 1 1 1098 1 1 1434 1 1 1 1474 1506 1 1 1 1351 1 1 1 1 1 1231 1299 1 1 1843 1460 1 1425 1 1 1531 1 1 1269 1 1741 1 1234 1 1 1 1589 1 1 1 1 1 1273 1407 1517 1 1627 1 1 1 1279 1 1 1506 1 1 1 1 1 1 1 1 1 1 1298 1599 1332 1 1 1 1 1 1 1 1306 1284 1314 277.9748 *278.0216* 278.0216@6.1169434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.0216 *278.0319* 278.0319@7.3391886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.0319 *278.037* 278.037@0.9096686 1 1 1 1 1 1 1 1 1 1408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1815 1 1 1 1 1 1 1 1 1 1 1 1 1 1215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.037 *278.0397* PISCIDIC ACID 1518 1 1633 1640 1 1 1972 1976 1106 1 1 1 1213 1 1356 1338 1352 1418 2075 2020 1906 1691 1 1456 1141 1 1849 1853 1 1750 2349 2094 1 1 1736 1601 2841 3063 1904 2291 3299 2992 1 1297 2664 2532 2284 2163 1692 1647 1750 1777 1887 2052 1190 1 2596 2542 2871 3153 2086 1788 1644 2037 1651 1992 1 1 1345 1 4919 4553 2616 2970 1 1259 1779 1779 2414 3015 1 1776 1682 2024 2158 2338 1406 1579 2309 1816 278.0397 *278.0857* 278.0857@5.032063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1365 1032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.0857 *278.0863* (2-Chlorophenyl)diphenylmethane 8417 8138 9191 8544 7885 9069 8210 8488 8795 8244 17366 17839 9248 8842 8570 8197 8885 8499 7923 8157 7868 9151 8688 8193 15949 16519 8436 7611 7402 7747 9112 8439 7308 8190 7694 8457 8229 8867 7728 8861 7567 8842 9184 9672 7064 6079 4553 4643 4529 5421 3968 4618 4872 4366 4341 4192 5789 5670 9461 9444 4223 4620 4452 4333 4643 4929 4356 4366 5449 5374 6863 6383 4716 4514 4242 4132 4958 4806 4767 4321 4807 4347 3752 4292 3983 4071 4709 3851 3845 4464 278.0863 *278.0881* 278.0881@3.006007 2498 1 1 1 1 1 3600 1 3731 4357 1 1 1 1 1 3533 3271 3458 1 1 4223 1 1 5255 1 3073 1 3203 4177 1 1 5590 1 1 1 4861 1 1 1 1 1 1 1 1 4663 1 1 5841 1 4952 1 1 1 1 1 1 2988 1 1 6152 4718 1 4926 1 4349 1 2197 2362 1 4440 1 1 1 1 1 1 4301 1 4804 4451 4300 4768 1 1 6099 5045 4097 4367 2872 1 278.0881 *278.1016* 278.1016@1.1780436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1773 1653 1 1 1 1 1 1 1 1 1 1 278.1016 *278.1212* C12 H23 Cl N2 O S 1 1 1 1 1160 1191 1433 1750 1050 1116 1090 1167 1 1042 1244 1 1153 1112 1088 1 1098 1284 1 1 1 1 1 1078 1 1 1300 1304 1248 1 1 1032 1 1 1 1 1668 1351 1 1 1 1 1 1207 1 1013 1 1028 1106 1 1 1 1 1 1090 1297 1101 1148 1074 1 1091 1076 1158 1 1 1 1110 1 1 1000 1 1 1080 1 1 1 1 1 1 1 1 1171 1148 1192 1162 1084 278.1212 *278.1279* Tyr Pro 1 1 4215 4097 13591 14504 12285 12601 1 1 7652 6943 3278 3251 1941 1945 6904 3084 5528 5321 6327 6502 1 1 2584 3110 5941 5546 1 1 1 2963 3795 3117 1953 2237 3932 3382 4213 4543 4766 5426 2305 2608 1 1 6535 6093 4075 4185 2952 2803 1998 1919 7213 7971 4273 4661 1241 2632 2489 6681 1 1 9271 9894 4466 4171 3555 3375 1 1 3191 2580 1 1948 1 1 2475 2016 3940 4016 1 1 3851 3928 6142 5741 3593 3567 278.1279 *278.1284* 278.1284@5.5421853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2968 2754 1 1 1 1 1 1 1 1 3454 2960 1621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.1284 *278.134* 278.134@4.2656856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1681 1728 1 1 1 1238 1 1156 1 1 1 1 1 1 1 1 1 2458 1 1 1 1 1 1 1 1 1 1 1 1 1616 1693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1438 1398 1 1126 1 1 1308 1 278.134 *278.135* 278.135@4.266694 1 1289 1 1 2347 2168 1 1 1674 1736 1398 1403 1265 1546 1192 1 1 1344 1706 1913 1 1 1180 1 1 1 1910 1771 1 1 1 1 1303 1 1630 1 1 1 2513 2352 1 1977 1 1 1 1076 2972 1 1534 2015 1651 1645 1504 1 1 1 1 1 1 1 1 1 1 1 1 1 1505 1 2123 2097 1 1 1322 1322 2512 2838 1778 1620 1 1 1653 1886 1 1 1520 1 1 1 1 1216 278.135 *278.1355* 278.1355@4.16217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.1355 *278.1362* 278.1362@1.0183209 1228 1 1 1 1 1 1 1 1 1 1 1 3175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1106 1 1 1 1 1 1 1 1 1 1 1 1 1 278.1362 *278.1391* 278.1391@5.1287084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10584 10292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.1391 *278.146* 278.146@1.2259638 1 1 1 1 1176 1214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.146 *278.1522* Phthalic acid Mono-2-ethylhexyl Ester + 11.684327 76976 80025 78910 80863 80575 82781 86893 73905 84086 79405 80638 80966 80136 81534 84331 29013 80953 80868 84122 90185 81521 87194 76548 82060 85388 85639 82907 83420 78706 85695 1946 79793 77711 78233 78562 75513 84327 75707 81975 84060 82459 76507 79605 78849 78357 79918 82545 79514 75795 79790 79220 74844 82814 14371 76462 75967 68103 79914 77293 77682 76368 79397 74334 76904 74763 77720 76581 77191 74365 78379 73922 25753 73796 78557 75745 73515 69835 1894 77067 75848 75438 78732 70044 78102 74240 74764 72476 75295 78668 27470 278.1522 *278.1523* Phthalic acid Mono-2-ethylhexyl Ester 31449 28954 32101 28942 28394 30078 28101 29750 27060 26068 28769 30490 30309 31251 29860 79054 29910 28297 28349 28681 31850 29971 32117 28715 29917 30396 29576 30017 31010 30229 32409 28670 30467 31288 32269 19540 25198 30813 31835 31990 29792 28635 31636 29536 30292 30033 24437 28437 27629 15565 27418 27898 27238 80873 24655 26645 25772 24565 26413 23688 26792 26987 24542 27566 29623 27803 23580 26080 27443 23993 25240 75188 26777 25630 31128 26871 24464 23888 22988 26074 25771 27015 26878 13618 24650 23761 29042 26441 27109 73364 278.1523 *278.1524* 278.1524@11.767799 1 5644 1 2221 1 1461 1 1 1 1 1 1 2832 1 4374 1 1 1 1 1 1 1 1 1 1 4588 1 1 3094 1 70381 1 1 1 1 1 1 1 1 1 1 3505 1 3025 1 1 1 1 1 1 1 1 1 1 1 1 3931 1 1 1 1 1 1582 1 1 1 1 1 1 1 1731 1 1 1 1 1 5655 74761 1 1 1 1 1 1 1 1 1 1324 1 1 278.1524 *278.1528* 278.1528@11.828145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.1528 *278.1534* 278.1534@13.088482 1 1 1 1 1 1 1 1 1 1 1 1304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.1534 *278.1543* 278.1543@11.861259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 1 1 1 1 1 1 1 1 278.1543 *278.1838* 278.1838@0.92571425 1 1 1094 1345 1 1 1 1394 1005 1096 1768 1734 1 1 1354 1224 1128 1069 1834 1893 1 1 1 1 1 1 1620 1612 1 1 1196 1289 1 1042 1 1 1 1181 1010 1253 1143 1 1 1 1 1 1017 1182 1 1 1 1 1060 1010 1 1 1 1 1 1 1330 1575 1 1 1019 1 1 1 1 1 1265 1555 1356 1245 1013 1164 1 1 5985 5276 1 1 1401 1517 1 1 1813 1917 1 1 278.1838 *278.1979* 278.1979@6.9539623 1 1 1670 1493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1511 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.1979 *278.2213* 278.2213@14.154229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1813 1 1 1 1 1 12922 1 1 1 1 1 1 1 1 1396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.2213 *278.222* 9,12,14-octadecatrienoic acid 29589 32972 32076 32247 31527 2598 28933 30179 15038 33479 12346 31293 30515 27568 30740 14494 28997 21183 33627 3714 2014 32179 28981 29814 21093 15161 30724 30724 30868 2394 29909 31189 28782 31619 27929 32683 17638 20450 28542 27993 28681 16686 1617 30127 1 11924 27030 19200 27440 27611 28084 12544 27581 28712 28875 28063 25417 26426 18205 28727 27325 1838 25544 27306 28065 27442 26532 26898 1700 1 25574 24873 10671 29572 1 16036 24396 18188 2616 25713 26187 1 27278 25003 18769 3534 26858 29554 27689 13931 278.222 *279.0835* 279.0835@2.7673829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1981 1961 1 1 1 1 1 1 1 1 1 1 1981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1356 1 1671 1 1 1 1 1 1 1 1 1104 1 1 279.0835 *279.0855* 279.0855@0.857519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2251 2636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48175 48385 1 1 1 1 1 1 1 1 1 1 279.0855 *279.1319* C8 H13 N11 O 8380 8676 37241 38151 30060 29438 6591 6624 12001 11687 12157 12492 14792 13915 24643 24587 5771 5988 9153 9211 106855 109303 52673 51938 15126 14742 167280 156294 62246 62510 12009 11481 7003 7444 20345 19985 5917 5779 6472 6472 7694 8277 10130 9730 7899 9024 6142 5857 3909 4311 4666 4251 1758 2046 3361 3414 1609 1640 2459 2449 5357 5536 2673 2703 1988 2200 1817 1749 1523 1846 1415 1397 4644 4664 16981 16134 5544 5677 74722 75430 1729 1920 4333 3319 3868 3693 3447 3976 2571 3438 279.1319 *279.1371* 279.1371@7.1197286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1394 1676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1904 2361 1 1 1 1 279.1371 *279.1461* 279.1461@5.356347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1276 1 1 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1077 1 1 1 1 1 1 1 1 1 1212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1119 1 1 1 1 1064 1582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.1461 *279.1554* 279.1554@11.675287 1 1 1 1 1 1 1 9793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.1554 *279.1563* 279.1563@11.692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.1563 *279.1623* 279.1623@5.7633524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15787 15951 279.1623 *279.1624* 279.1624@6.2553935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11204 10864 279.1624 *279.1795* 279.1795@7.133656 1 1 1 1 1 1 1 1 1 1 3432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2322 1 1 1024 1058 1 1 1 1 1 1 1 1 1 1 1 1 1205 1592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1613 1162 1299 1 1 1 1 1 1 1 279.1795 *279.1811* 279.1811@3.8579783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.1811 *279.1817* 279.1817@4.7434673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1589 1270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.1817 *279.1833* 279.1833@4.8274674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2481 2631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.1833 *279.1835* 279.1835@3.724473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4600 4821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.1835 *279.2705* 279.2705@1.2390018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1643 1 1 1 1 2242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.2705 *279.8439* 279.8439@0.83099985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.8439 *279.8494* C4 H2 Cl2 O4 S3 4049 4111 9840 9382 3563 3922 4057 4479 4316 3950 4368 3642 3980 8969 10758 3737 1 3793 9129 3718 10635 4186 1 10561 3794 2529 9339 1 10381 3755 9980 1 4076 9864 1 9782 10521 4271 3998 7801 3843 10351 10507 4015 3981 4183 4218 4343 4290 4206 3890 4214 9333 4261 4125 3729 9190 4188 4133 10941 9335 2396 7071 3769 3722 1 3731 3808 1 4122 1 3961 9176 4238 3292 3754 3671 3891 9448 4208 3774 10755 4671 4322 1 3881 4063 3572 4148 3957 279.8494 *279.8551* 279.8551@0.8669917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.8551 *279.9463* 279.9463@0.79199886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.9463 *279.9476* 279.9476@0.7928397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1137 1 1 1 1 1 1 1 1 1 1 1063 1 1 1116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1007 1017 1 1 1 1073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.9476 *279.9574* 279.9574@0.8000122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.9574 *280.068* 280.068@1.2546538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1451 1 1 1 1 1 1 1 1 1 1 1036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2882 2565 1 1 1816 1 1 1 1 1 1 1 1274 1 1 1 1 1 1 1003 1 1 1 1 1 1000 2672 1 1370 1 1 1 1 1 1 1 1507 1 280.068 *280.0799* 280.0799@0.95500255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1223 2195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.0799 *280.0997* 280.0997@4.942189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.0997 *280.1346* 280.1346@9.6420965 1 1 1399 1042 1 1 1223 1 1 1 1 1 1 1 1 1 1097 1 1325 1 2018 1804 1 1 1112 1 1 1474 1 1 1 1 1 1 1 1 1403 1271 1 1 1 1 1 1 1 1 1 1058 1 1 1096 1 1 1 1 1 1 1 1222 1 1041 1 1 1 1 1 1 1 1048 1 1 1008 1 1 1 1 1 1 1 1 1 1 1188 1147 1 1 1 1 1 1 280.1346 *280.1516* 280.1516@4.5618362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3746 3232 1 1 1 1 1 1 1 1 1 1 280.1516 *280.1528* 280.1528@5.0445833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.1528 *280.2397* 280.2397@12.253009 1 1 1 1 1 1603 1 1623 1 1 1 1544 1 1828 1 1911 1 1 1342 1 1270 1248 1476 1 1275 1282 1778 1470 1 1 1665 1 1121 1 1259 1 1 1 1 1 1494 1 1 1 1240 1838 1 1 1377 1444 1 1 1 1 1 1 1 1656 1 1 1 6720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1091 1 1 1 1 280.2397 *280.2402* 13E,17-octadecadienoic acid 1392 7751 1509 8488 7115 1661 8669 1562 7478 6735 1780 1877 1754 2285 7338 2031 6509 2192 1940 7714 1221 1751 1614 1391 1345 1509 1733 1892 1505 1 1423 7301 1488 1 1713 6869 1 2222 1655 1626 1529 1 8769 1609 1692 1495 1 1 1259 1748 1660 5401 1530 1732 1667 1719 1646 1591 5496 7038 1471 1872 5022 4000 1 1678 6381 2155 1760 1 1620 1 6110 4377 1 1548 1362 6713 1624 3893 1554 1324 1 1 1931 1758 1526 4492 1508 1783 280.2402 *280.2403* 13E,17-octadecadienoic acid + 12.351626 1642 1589 1582 1192 1 1354 1 1580 1655 2005 1 1335 1931 1161 1617 1620 1198 1348 1399 1356 1996 1374 1428 1531 1221 1371 1372 1558 1315 1 1461 1572 1541 1 1187 1 1 1518 1025 1440 1715 1 1 1 1766 1005 1 1 1313 1726 1462 1295 1463 1240 1287 1488 1 1479 1 1 1240 1354 1 1 1 1 1 1 1474 1 1 1 1 1 1 1187 1084 1 1251 1298 1 1 1 1 1 1072 1776 1 1776 1322 280.2403 *280.2404* 13E,17-octadecadienoic acid + 12.112559 4884 1916 7757 1541 1477 5828 1859 4739 1657 1259 7638 5506 4714 6018 1646 1224 1423 7020 7523 1167 5433 5393 4212 6856 8478 7536 7961 5697 8092 5532 6931 1797 7651 5381 7188 1615 4196 7406 4893 7538 3992 7638 1798 6168 4512 5322 8849 7403 8224 7639 4689 1320 6387 6552 8041 7962 5801 6648 1380 1301 6772 1591 2479 1443 6260 6334 1450 3031 6732 1412 7579 6265 1628 1190 8773 7814 6543 1159 5024 1439 4046 3145 5744 5878 6950 3623 4863 1408 5837 6282 280.2404 *280.2412* 280.2412@12.016148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7999 1 1 1 1 1 1 1 1 1 1 1 1331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.2412 *280.2416* 280.2416@14.14641 1 1 2390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.2416 *280.2743* 280.2743@11.530658 1 1 1079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.2743 *280.2766* 280.2766@11.532067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1096 1 1 1 1 1 1 1 1 1097 1 1034 1217 1 1 1 1 1 1229 1135 1059 1 1 1 1 1 1 1017 1 1 1 1 1 1 1295 1140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1168 280.2766 *281.0681* 281.0681@7.545526 1 1 1 1043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.0681 *281.1117* 281.1117@1.1516978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5096 3890 1 1 1 1 1 1 1 1 1 1 281.1117 *281.112* 1-Methyladenosine + 1.7661844 7495 2790 8977 7249 6451 5436 1401 9568 1 8020 9523 1 8101 8248 9374 9376 11406 12397 10843 11998 6953 6657 7110 7322 1 5149 6979 1 1298 3136 8243 1237 7913 9373 8810 9461 12731 13083 1104 14462 15371 17537 9325 10041 1360 1 1 7582 8044 9739 9454 1812 8902 8165 8126 8126 2670 6063 12085 9755 10437 8862 9594 10982 10782 1 8020 7668 8857 8303 12772 12077 6141 7982 6004 5786 10330 9637 6992 1 11160 12300 13078 13827 11224 12033 5993 1 6952 1 HMDB03331 C02494 281.112 *281.1126* 1-Methyladenosine 18753 18999 16129 17164 13171 14140 18218 18594 18585 17226 17928 18398 18877 18789 20501 20671 21789 21071 23634 22186 14243 15043 16218 16470 12980 12222 15086 13893 16378 15642 15941 15786 16699 17390 20930 19537 23888 24280 30302 29912 29470 32069 17678 18153 16641 16812 16288 17089 15215 15659 20773 21576 15714 16279 16270 16096 12588 1 25160 25162 18355 18137 17944 17749 17573 17404 15737 15816 15988 16054 23526 22845 14395 14970 13283 12821 21305 20690 12258 11802 21370 22273 22898 23117 22341 21789 12789 12598 15952 15735 HMDB03331 C02494 281.1126 *281.1127* 281.1127@1.7702554 1 5225 1 1 1 1381 8013 1 8154 1 1 10119 1 1 1 1 1 1 1 1 1 1 1 1 4264 1 1 7018 5120 3873 1 7156 1 1 1 1 1 1 13585 1 1 1 1 1 6047 7202 8129 1 1 1 1 9646 1 1 1 1 2898 1 1 2629 1 1 1 1 1 10467 1 1 1 1 1 1 1 1 1 1 1 1 1 6965 1 1 1 1 1 1 1 8030 1 7423 281.1127 *281.1398* 281.1398@7.351194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.1398 *281.1535* 281.1535@5.602651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4669 7082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8297 10614 1 1 1 1 281.1535 *281.1543* 281.1543@4.821681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 1 1 1 1 1 281.1543 *281.16* 281.16@5.1063776 1 12002 1 1 1 1 1 1 1 1 1 1 1 1 8769 1 1 1 1 1 1 1 1 1 1 1 1 1 3016 1 1 1 1 1 1 1 16251 1 1 1 1 3379 1 1 1 1 1 1 1 13552 1 1 1 1 15708 1 1 1 1 1 11523 12715 1 1 1 9873 11059 1 1 1 1 1 1 1 1 1 1 1 6273 1 1 1 1 1 1 1 3085 1 1 1 281.16 *281.1605* Benzenepropanoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]- (9CI) ASL 8123 1 20991 1 38578 1 29910 36033 18653 1 28741 3107 1 1 9125 20301 12386 6598 1 1 1 1 1 1 1 27226 1 1 1 26146 1 1 27625 31069 34976 1 36247 12282 1857 30327 12668 1 18446 35226 1 1 10796 1 1 23403 10491 1 1 1 7752 8929 1 1 1 1 1 11622 11198 8599 1 1 20122 15396 1 1 1 27392 1522 1 1 1 1 1 30333 21747 22560 1 1 1 32057 1 8290 23487 29935 28348 1 281.1605 *281.1607* 281.1607@5.101091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.1607 *281.1654* 281.1654@3.7467904 1 1 1 1406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.1654 *281.1984* 281.1984@8.580312 1 1 2084 1946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1186 1 1 1 1 1646 1383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1434 1648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.1984 *281.2059* 281.2059@10.598706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1056 1 1 1096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 281.2059 *281.2696* 281.2696@13.51826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1088 1 1 1 1355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1789 1 1 1 1 1 1 281.2696 *281.272* Oleamide 9565 8643 5968 8906 8243 8667 9608 8635 7463 9844 9286 9411 9271 8747 9451 10934 10481 8253 8610 9364 8587 9588 8671 10154 7886 9861 8455 8862 8621 9689 9966 8029 10534 9725 10267 9192 9490 9913 10403 10236 9920 9380 8218 9313 10652 8152 8387 9744 8449 9507 9455 9200 9318 9221 9954 9471 5705 9620 5325 8924 7414 8561 8965 9863 8419 8527 8740 9486 6799 8897 8794 8901 8984 9018 8390 9454 6714 9591 8549 8259 5377 8354 7833 7448 8557 8414 5370 8318 7906 8932 281.272 *281.8264* 281.8264@0.8419636 1 2095 1976 2124 2220 1 1465 2086 1984 1 2133 1742 1 1 1 1 1780 2031 1 1 1 1 1 1 1 1 2169 1 1876 1 1 1 1 1 1 1 1 1 1 1972 1912 2049 1 1678 1 1 1 1 1 2204 1 2036 1 1 1 1 1 1 1 1 1 1 2309 2192 1 1 1 1 1 1 1 1 1873 6236 1 1 1174 1907 2297 2186 1 1 1 1 1 1 1 1 1 1 281.8264 *281.8271* C3 Cl2 O5 S3 7352 1 1 1 1 6357 1 1 1 7153 1 1 1 7201 6384 6718 1 1 6634 2016 7773 1 6376 7043 1998 1843 1 1960 1 1843 7844 7346 5949 1 7357 7975 6351 2087 1979 1 1 1 6985 1 1952 7929 7094 6897 8530 1 8375 1 2099 7724 1828 1925 6872 7440 1827 7683 1920 1973 1 1 2062 1468 7460 7420 2047 2056 7561 7172 1 1 1581 1900 1 1 1 1 7580 6469 8261 7446 2121 2006 7245 7484 6944 1717 281.8271 *281.9563* 281.9563@0.77923423 1083 1 1051 1028 1 1 1 1 1 1068 1 1 1 1032 1133 1084 1 1 1 1 1128 1 1031 1397 1031 1 1 1 1 1 1 1 1 1 1 1037 1 1 1 1 1 1 1193 1 1 1 1 1 1239 1 1106 1 1 1 1 1 1 1 1122 1 1 1025 1 1 1 1 1 1 1 1 1140 1272 1 1 1133 1 1 1 1 1 1 1 1142 1 1 1 1 1 1 1 281.9563 *282.0257* 282.0257@1.2080168 1 1 1 1 1 1 1 1 1 1 1014 1012 1 1 1 1 1045 1 1 1 1 1044 1 1 1 1 1 1 1 1 1 1171 1 1011 1 1 1 1 1 1 1 1 1 1158 1 1012 1 1 1269 1034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1097 1031 1 1 1 1057 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1048 1 1 1 282.0257 *282.0732* 282.0732@3.0150661 1 1 1 1 2511 2662 1248 1 1 1 1 1 1022 1146 1 1 1 1505 1 1 1 1 1692 1 1441 1312 1 1 1 1 1 1048 1103 1382 2428 1839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1317 1304 1 1 1 1 1 1 1 1 1 1 1 1613 1832 1310 1 1 1 1 1 1 1106 1391 282.0732 *282.0875* 282.0875@5.9512334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 282.0875 *282.0884* 282.0884@5.376278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1406 1854 1 1 1 1 282.0884 *282.0889* 282.0889@5.5983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1204 1260 1 1 1 1 282.0889 *282.0963* 1-Methylinosine 1 5169 8198 8528 6216 1 1 11292 1 1 14009 1 10263 9893 1 1 13155 13559 15678 1077 13935 14317 13058 11479 1 1 1 1 6184 1 15118 14790 16206 15844 12670 8209 8719 15342 12830 12536 16235 17180 8032 1 1 1 10442 12415 21469 21265 1 6715 15226 13791 7065 1 5750 1 16346 1 9284 14264 1 1 19647 19559 26994 11494 1 1 1 16515 1 1 14635 14974 1 8544 21344 18074 13911 1 1 1 24139 22668 1 9074 15365 14656 HMDB02721 282.0963 *282.1265* 282.1265@1.7623401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1457 1 1865 2618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.1265 *282.1322* C12 H18 N4 O4 26643 27516 28946 29198 22179 22791 38463 38951 37101 37032 35224 34368 46342 46598 38708 39649 33998 33775 35889 36423 26828 28029 42017 42378 32380 31643 19864 20432 25856 28446 33224 33415 39130 40883 38791 37469 59076 57543 1 1 61299 61267 34645 36582 28637 29664 31686 33039 35950 34868 42452 42799 57489 57458 22434 22452 22694 22326 46857 45122 37439 37639 25755 24975 29289 28915 36066 34873 45265 45125 43569 43530 35129 35718 35972 33698 34222 35239 23266 23038 29923 30117 31755 1 49779 48734 35990 35192 46805 46861 282.1322 *282.1346* 282.1346@1.714652 1 1 1 1 1 1 1 1 1 1 1 1 2438 1 1 1 1 1 1 1538 1 1 1 2085 1 1 1 1 1 1 1 1 1 1 1 1 4106 2735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2235 2189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2290 1 1 1 1 1 1 1 1 1 3061 1 1 1 1 1473 1 1 1 1497 282.1346 *282.1581* 282.1581@3.0336149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6168 4692 4746 4680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3947 3250 1 1 1 1 1 1 1 1 282.1581 *282.1651* 282.1651@5.086162 1 1 1 1 1 1176 1 1 1 1 1 1 1 1 1 1 1 1 3261 1 1 1 1 1 1 1230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.1651 *282.1668* 282.1668@5.123778 1 1 1 1 1 1969 1 1 1412 1463 1 1 1 1 1 1 1 1 2406 1 1 1 3712 1 1 3030 1 1 1 1 10680 7137 5453 1016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1160 2091 1 1 1 1 1 1 1 1 1 1 2384 1 1 1 1 1 2239 1 1 1 1 1 1192 1 3601 1 1 1 1 1 4901 1 1 1 1985 1 1 1 1 1 282.1668 *282.1673* 282.1673@4.1509795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8149 1948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1722 1 1 1 1 1 1 5092 1 1 1 1 1 1 1 1 1 1 1 1644 1 1535 1 1 1 1 1 1 1 1222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3070 1 1 1 1 282.1673 *282.1673* 282.1673@4.177446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2685 2278 1 1 1 1 1 1 1 1 2271 1 1 6870 1 1 1 1 1 3127 1 1 2059 1 1 1 2489 3381 1118 1 1 1 1 1 1 1 1 1 4601 1731 1462 1 1 1 1 1 2477 1 1 1 1 1 1 1986 1 1 1 1 1 1514 1 5424 1 1 1 1 1090 1 1 4790 1 1 282.1673 *282.1673* 282.1673@4.6959743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2019 1 1 1 1 1 1 1 1 1 1 1018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.1673 *282.1688* C13 H22 N4 O3 1129354 1250283 1207639 1208010 1233584 1190993 1176804 1163792 1186529 1181622 1148162 1125494 1191275 1104348 1153395 1144081 1367165 1394290 1197837 1132922 1127218 1137881 1152998 1146191 1179181 1192451 1147348 1161017 1026393 1198541 304080 1161367 1134510 1094023 1148853 1119224 1035744 1150800 1126508 273849 1145174 1148192 1202505 1155536 999892 821327 739239 761844 731836 728366 692125 758936 740313 750052 699929 676821 714706 707756 713234 712776 704449 762570 723816 718153 746135 713573 695093 686007 773917 764469 773835 740132 725285 713372 717746 722709 747130 764464 1044225 852201 735767 727727 761444 726638 721419 715836 701194 685918 700531 684996 282.1688 *282.1693* 282.1693@14.691234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.1693 *282.189* 282.189@4.6718197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4130 4183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.189 *282.2092* 282.2092@12.06611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.2092 *282.2276* 282.2276@12.0600815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1540 1476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.2276 *282.2308* 282.2308@5.9539776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2338 2485 1 1 1 1 1 1 1 1 1 1 282.2308 *282.2354* 282.2354@12.051518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2193 1 282.2354 *282.2537* 282.2537@12.107781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.2537 *282.2552* 282.2552@12.6283655 1 1 1 1763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1168 1 1 1 1 1 1 1 1 1 1 1 1845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.2552 *282.2552* 282.2552@14.2751045 1 1 1 1 1740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.2552 *282.2556* 282.2556@11.974895 1702 1 1 1716 2839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2562 1 2418 1 1 1 1 1 1 5834 1 1 1 1 1 1 1 1 1 1 2715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1894 1 1 1 1 1 1 1 1 1159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2001 1008 1 1 1606 282.2556 *282.2557* 282.2557@12.971954 1 1 1 1850 1 1 1 1 1 1 1 1 1 1 1 3599 1 1 1 1 1 1 1 1 4456 1 1 1 1 1 1 6271 1772 1 2021 3007 1 1 1 1 1 1 1002 1 1 1 1 1 1 1 3533 1 1 1 1 1 1773 1 1 1 1 1 1 3135 1 1 1 1 1 1 1 1 1 1 4701 1 4309 1 1 1 1 1 1 1 1 1490 1 1 1 1 282.2557 *282.2563* 282.2563@12.744827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1751 1 1 1 1 1 1 1 1 1 1 1 1247 1 1 1 1 1 1 1 1 1 1433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.2563 *282.308* 282.308@3.9993474 2825 1 1 3926 2662 3582 1 3560 3972 2858 1 3231 3161 1 2574 3855 3323 5417 3774 3869 2389 3121 3431 1909 2877 2133 1 1 1 1 1 3559 3140 3036 3425 2673 4027 1 2946 2728 1 3166 3727 1 2338 1 1 1 1 12537 1 12212 1970 12875 1 9936 12823 13816 1657 1 1 1 1 10569 1 1 11125 11189 13557 1 1 1549 1 12246 11134 12490 13508 1 3015 2931 1 1 1 1 12048 1 11467 1 13363 1 282.308 *283.0572* 283.0572@1.1670096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1141 1164 1 1071 1399 1310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1163 1083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1299 1275 1 1 1 1 283.0572 *283.0578* 283.0578@1.1370021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.0578 *283.0708* 283.0708@3.102885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1907 1 1 1 1 1 1 1 1 1 1 1356 1 1 1 1 1 1 1 1 1864 1 1 1 1 1254 1 1 1 1 1 283.0708 *283.1019* 283.1019@3.003199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1131 1 1 1 1 1 1 1 1 1 1 1 283.1019 *283.1033* 283.1033@3.3187099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8207 7210 1 1 1 1 1 1 1 1 1 1 283.1033 *283.1034* 283.1034@3.3882165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4138 4704 1 1 1 1 1 1 1 1 1 1 283.1034 *283.1269* 283.1269@3.6694775 1 1 1 1 1 1 1 1 1 1 1 1 1616 1823 1 1 5845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1196 1394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.1269 *283.1313* 283.1313@5.3616643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.1313 *283.1424* 283.1424@3.1778116 1 1 1 1 2048 1982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.1424 *283.1638* 283.1638@4.340748 1 1 1 2584 1 1 1 3391 2847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4123 1 1377 2414 1 1 1 1998 1 1 1 1 1 1 1 1 1 1 2382 1 1 2538 1 1 1 1 1 1494 1 1 1 1 1 1 1 1 1 1 1 1 2577 2581 1 2614 1 1 2745 2984 1 1 1590 1 1 1 1 1 1 1 1 1 3030 283.1638 *283.1651* Lys His 1 1 2539 1965 1 2830 2565 1607 1633 1 3414 2361 1228 1 1 3758 2478 2402 2533 3098 3200 2581 3171 1 2735 1547 2861 1 1 1 1 2476 1 2498 1 2893 2059 1 1 1 1 1 1 2702 1 2770 2724 1 2546 1 1 2797 3239 1 2744 3125 1424 2792 2731 2660 1 1694 3251 3163 3053 2633 2773 2690 2574 1299 1152 2660 1 2298 3047 1 2172 1900 1 1 2861 1 1 2539 1 1 3383 2654 2794 1 283.1651 *283.1777* 283.1777@4.026138 126979 1 1 1 1 30358 1 1 1 1 1 64502 1 1 1 1 1 1 1 70535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62496 1 51753 52894 92300 97297 1 1 1 1 43636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69083 69051 1 1 283.1777 *283.287* 283.287@13.645898 2371 1 1 1 1 1 1490 1 1 1 2053 1 1773 1 1 1 2096 1 1923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1952 1552 1 1508 1 1 1 1 1 1568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1355 1 1218 1 1 1 1 1 1506 1 1 1 1 1 1 1 1 1 1 1 1 1094 283.287 *283.2879* 283.2879@13.954641 1659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.2879 *283.2889* octadecanamide 2105 1977 1 1568 2121 1725 1 1 1 1651 2036 2192 2228 2317 1353 1 1 1478 2620 2359 1 2196 1857 1 1 1 1785 1674 2062 1 1 2158 1561 1 1 1 1914 1388 2058 1 2214 1842 1 1 1 1656 1 2192 1670 1 1821 2158 1 1 1567 1611 1420 1 1 1 1472 1677 1495 2031 1 1912 1 1 2109 1905 1881 2026 2008 1 1 1630 1658 1897 1 1584 1 1 1145 1435 1459 1697 1 1 1475 1838 C13846 283.2889 *283.3207* 283.3207@12.263261 1 1 1 1 2354 1 1 1 1 1 1 1 1 1 1 1 1694 1 1352 1 1990 1 1 2926 1 1 1 1441 1 1 1 1 1 1 1 1 1448 1 1 1 1 1 1 1962 1 1 1205 1 1 1 1 1 1 1 1 1 4864 1 1 1 1 1 2929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1820 1 1 1 1 1 1 1 1 283.3207 *283.3237* C19 H41 N 13592 15214 14218 13859 12712 13498 15627 13709 15152 13536 14820 14729 13672 14157 14000 14788 14747 14875 15325 16403 13993 15465 15442 13362 16621 15347 15082 14125 15421 13338 14458 14561 14661 15638 14168 16091 7681 15012 15368 16106 16246 15201 16445 13995 17488 15835 15066 13680 15095 15559 15510 17258 15963 16617 15501 16065 9157 14455 16125 15667 15673 15252 14061 16372 16397 14903 16285 15451 16640 16555 16803 15019 15653 15882 15136 15638 14245 14663 14613 14515 15932 14531 14468 15322 16000 14908 14381 15523 15011 15213 283.3237 *283.9024* 283.9024@0.854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.9024 *283.9034* C6 H Cl O9 S 12905 12413 11749 12210 12591 12587 13073 13460 11981 16576 12563 13300 12833 12628 13804 13366 13348 13204 13133 13246 11919 12782 13327 12773 12859 12888 12477 12472 12647 12787 12881 12776 12877 12279 13331 12804 12566 13303 12888 12758 13060 12682 12107 12966 12490 11421 12534 12639 12086 12686 12926 12481 12778 12977 13075 12787 7920 12526 11746 12111 12608 1 13004 12762 11711 12583 11607 12231 11931 11447 11671 12666 12592 12377 12279 11186 11473 11680 12110 11626 12395 12280 13013 12908 13188 12110 11636 12422 13043 12492 283.9034 *283.9542* C11 H5 Cl O5 S 3670 4269 3338 3496 3412 3205 3870 4264 3914 3598 3424 3808 3336 3939 3882 4393 3829 3626 3192 3555 3616 3576 3395 2941 4013 3646 3455 3486 3539 3602 3338 3541 3456 3716 3856 3265 3754 3690 3249 2923 4085 3789 3816 3862 3614 3360 2535 2845 3149 2880 3369 2779 2776 2896 2551 3132 2966 2654 3151 3030 2352 2511 2574 3065 3197 3379 2572 2570 2638 2574 2171 2212 2634 2502 2821 2793 2049 2564 3209 3166 2923 2185 2663 2562 3139 3197 3432 2523 2813 2492 283.9542 *284.0928* 6-Formylindolo [3,2-B] carbazole 13153 13108 7553 8239 3173 3118 20933 21280 9700 9923 5901 5523 10258 10333 39198 38784 19938 19624 41883 41221 16464 16752 16208 16228 4867 6245 14794 14477 16534 17232 1591 1893 19655 18059 1 1 25884 26453 2328 3096 22569 21595 15413 15838 1 1 16679 17215 4169 4062 7817 8383 16746 16456 10456 10545 1 1 14957 15058 2366 2282 9664 9920 5895 5613 16338 17578 2785 2559 8327 8673 7241 6749 5842 6583 7612 7232 2402 2328 7382 7618 1 1 2655 2574 16977 17411 1228 1080 284.0928 *284.1141* 284.1141@1.2355465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5286 5263 1 1 1 1 1 1 1 1 1 1 284.1141 *284.1162* 284.1162@6.2472534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1222 1 1 1 1 284.1162 *284.1253* 284.1253@1.2470198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.1253 *284.1713* 284.1713@2.2610717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.1713 *284.1731* 284.1731@3.9960449 1 1 1 1 1 1 1 1 1 1 1 2244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.1731 *284.1807* 284.1807@4.0294533 1 19740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.1807 *284.282* 284.282@8.980752 1 1 1 1 1 1266 1 1 1667 1365 1 1 1 1011 1 1 1 1 1 1 1 1 1 1 1 1297 1003 1 1 1577 1 1 1 1 1 1 1062 1 1 1 1 1 1003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.282 *284.3251* 284.3251@12.182034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.3251 *285.0947* 285.0947@1.2489632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.0947 *285.0962* 285.0962@3.2423728 1 1 1 1 1 1 1 1 1 1 9129 9619 1 1 1 1 1 1 1 1 14084 14398 13790 14366 1 1 1 1 1 1 1 1 13868 12405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10688 10669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.0962 *285.1022* 285.1022@1.2482525 4539 3805 1 1 1 1 1 1 1 1 5420 5929 1 1 3788 3607 1 3327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3450 2799 1 1 1 1 1 1 6309 5954 1 2226 2434 2883 1 3954 2015 1 1 1 2560 2579 2966 3122 2359 2321 2875 4068 1 1 2603 2870 2657 2211 1 2811 3997 2720 2685 2667 4176 2918 1 1 1 1 1 1 1 1 1 2822 1 1 1 1 1 1 285.1022 *285.1066* 285.1066@1.2467393 1 1 1 1 1 1 1 1 2453 2517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6938 1 1 1 1 1 1 1 1 1 1 1 1 1 7014 6911 1 1 1 1 1 1 4253 1 1 1 1 1 1 1 1 1 1 1 1 1 5209 1 1 1 1 1 2373 1 1 1 1 1 1 1 1 1 1 1 1 1 4003 1 3248 1 1 1 1 1 1 2803 285.1066 *285.1087* C8 H15 N9 O S 1 1 14981 15339 10086 10321 1 1 1 1 1 1 6828 5621 1 1 1 1 3412 4596 1 9787 30839 30939 1 6307 47215 45860 57196 58434 9022 9099 1 1 22923 23193 7007 6893 1 1 1 1 2475 1 1 1 1 1 1 2304 3997 3379 1 1 1 1 1 1 1 1 1 5119 1 1 1 1 1 1 1 1 1 1 1 1 14939 15717 13993 13304 3404 1 1 3410 1 1 5438 5318 4921 5275 3757 1 285.1087 *285.1143* 285.1143@1.4687527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6095 6508 6958 8532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.1143 *285.1155* 285.1155@3.695379 1 1 1942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4995 4878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.1155 *285.1179* 285.1179@1.2460018 1 1 1 1 1 1 5146 4779 1 1 1 1 1 1 1 1 1 1 1 1 10007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3186 1 1 1 1 1 1 1 1 1 1 285.1179 *285.1211* C13 H19 N O6 1 1 1742 1557 4751 4299 2500 2667 1 1 1 1 1321 1181 1 1 1 1 3059 3738 1 1013 1 1 1 1 5653 6416 1 1 1 1 1 1 1 1 1923 2090 1204 1282 1160 1 1 1 1 1 1982 1790 1 1 1 1 1851 1850 1 1 1 1 1071 1212 1029 1048 1292 1157 3330 2946 3562 3391 1175 1262 1 1 1 1 1405 1333 1666 1297 1 1 1 1033 1 1 42566 42551 1396 1134 1 1 285.1211 *285.1253* 285.1253@0.913032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1193 1 1 1 1 1 1 1 1 1 1 285.1253 *285.1393* 285.1393@3.81149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9967 10818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9520 9322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.1393 *285.1802* 285.1802@3.8653035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1268 1 1 1 1 1 1 1 1 1 1 1 285.1802 *285.1938* 285.1938@6.225459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.1938 *285.1941* C15 H27 N O4 1 1 1942 1700 4473 4265 2122 2876 1 1 1680 1394 2005 2254 1 1 6807 6660 3649 3951 3284 4111 2092 2207 1 1 4148 4122 1 1 2569 2364 5682 5237 1 1 1806 1 1996 1944 1160 1446 2791 2216 6281 6068 1925 2105 1 1 1 1 1583 1357 1 1 1 1 1071 1136 2959 2685 1 1 2978 3099 7833 7715 2086 1726 4615 5305 1768 1620 4902 4857 1569 1521 1960 2256 3253 3050 1711 1 4144 4414 6064 6087 1572 1630 285.1941 *285.2333* 285.2333@11.264005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.2333 *285.2613* 285.2613@9.308084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.2613 *285.9004* C14 Cl2 O S 2876 1 2802 3087 1 2932 3954 3554 1 1 1 3353 3357 3740 1 3775 3077 3386 4044 3709 3378 3307 2738 3958 1 1 1 1 3131 3678 1 4035 3512 1 2887 3664 3629 1627 3173 3601 2786 3970 3412 3494 3562 1 3564 3413 3239 2474 3603 1794 3291 1 1 3484 1 2904 3299 2883 2693 2016 3042 1 3919 2636 1 3656 3830 1 3087 1 3453 1758 1 2538 3229 1 1 3608 2821 3036 3291 3621 3459 2784 3380 2592 4034 1 285.9004 *285.9051* 285.9051@0.83295 1 1 1 1 3618 1 1 1 3146 1 3766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3847 3617 3241 1 1 3124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2384 1 1 1 1 1 1 1 2770 4256 1 3332 1 1 1 1 1 1 3197 1 1 3117 1 1 3275 1 1 1 1 1 1 1 3295 3164 1 1 1 1 1 1 1 1 1 1 3092 285.9051 *285.9147* 285.9147@0.8274783 1 4348 1 1 1 1 1 1 1 1 1 1 1 1 4015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.9147 *285.9513* C5 H5 Cl3 N6 O2 3739 3615 3514 3291 3977 3348 3228 3279 3706 3546 3053 3322 3927 3441 4177 3940 3334 3677 3093 3112 4029 3500 3236 2894 3152 3216 3009 3604 3014 3134 3390 2812 3247 3473 3250 3070 3171 3260 3213 3471 3108 3405 3223 3264 3251 1 2508 2863 2822 2772 3020 2628 2781 2330 2438 2857 3024 2614 2460 2492 2405 2752 2401 2380 2744 2854 2676 2672 2072 2298 2758 2205 2427 2947 2766 2542 2683 2900 2389 2537 2365 2285 2331 3110 2745 2663 2659 2161 2381 2762 285.9513 *285.9526* C8 H2 N2 O8 S 6841 6979 7284 7845 6764 7676 6933 7521 7553 7272 5952 6910 7375 7084 7018 7671 6918 6809 9019 7977 7387 7649 7199 9285 1 1 6858 6584 8025 9042 6697 7518 7304 6525 7307 8305 7198 7952 7960 7386 7070 6826 7406 8397 7325 6896 7096 7516 8843 7920 7777 7802 7927 8810 6415 7477 7081 7404 8392 8045 6987 8228 7334 7216 6944 7277 1 8133 7286 6932 7603 7756 7412 6794 6867 7344 7061 7202 7095 6826 7355 7634 8753 7961 7092 7619 6831 7101 6829 7344 285.9526 *286.0628* C12 H18 N2 S3 2652 2695 2017 1955 1 1431 2451 1 2239 2499 2805 2255 1962 1794 2800 2646 2588 3014 2536 2654 2361 2442 1935 1758 2007 2216 1 1333 1957 1 2476 2511 1 2533 1 2105 2553 2239 2098 2151 2163 2326 2290 2418 1 1955 2373 2416 2020 1681 2165 2016 2324 2660 3189 2861 2589 2713 2011 2002 2535 2625 2881 3190 1949 2333 1 2408 2450 2505 1817 1492 1980 1994 1 1 1779 1863 1868 1643 2244 2409 2565 2380 1 1986 1883 1970 2185 2195 286.0628 *286.0745* 286.0745@1.2419455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.0745 *286.0783* 286.0783@1.2026702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1506 1564 1 1 1 1 1 1 1 1 1 1 286.0783 *286.1199* 286.1199@3.7360828 2059 1794 2165 2353 2128 1687 1907 1 1 1 1583 1 1963 1882 1 1 1 1476 1 1 1 1 1517 1517 1543 1 1 1277 1 1 1712 1319 1 1 1 1 1 1203 1305 1 1 1 1 1694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.1199 *286.1254* 286.1254@1.2465471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2267 2322 1 1 1 1 1 1 1 1 1 1 286.1254 *286.2179* 286.2179@12.431869 1 3547 1 1 1 1 3078 1 1 2965 1 6211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3104 1 1 1 1 1 1 1 1 1 2640 1 1 1 1 1 1 1 1 9549 1 1 1 1 1 2278 1 1 2694 2607 1 1 1 1 1 1 2861 1 1 1 1 1 1 1 1 1 1 1 1 2569 1 1 1 1 1 1 1 1 1 1 1 286.2179 *286.2243* 286.2243@6.049342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1703 1 1 1653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.2243 *286.2612* C16 H34 N2 O2 5575 5649 5157 6732 6813 4927 6108 6386 7171 7731 7576 6766 6794 7327 7621 6034 6944 5585 5200 7411 5268 7468 5285 5146 6818 6386 6611 6780 6686 6441 7431 7656 7235 6802 6935 7247 7415 6827 7471 6942 6666 6717 5222 7101 6587 4675 4833 5304 3695 5071 5022 4901 4306 4626 4470 5141 4957 3016 5290 4958 5073 3726 5731 5179 4537 4201 4570 2882 5473 5338 4760 4810 3496 5743 5257 5377 5120 2936 4118 3858 5081 3892 5075 4667 4592 3428 3719 5225 3549 3698 286.2612 *287.028* 287.028@0.89102995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1036 1135 1 1 1 1 1 1 1 1 1 1 287.028 *287.0916* 287.0916@1.2570109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.0916 *287.1141* 287.1141@3.1586103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2460 2010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.1141 *287.1175* 287.1175@1.2480474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1522 1 1 1 1 1 1 1 1 1 1 1 287.1175 *287.1391* 287.1391@3.102078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.1391 *287.1519* 287.1519@4.0183086 1 1 5407 4888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7535 7717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.1519 *287.1527* 287.1527@3.634046 1 1 303851 302590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216840 214325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.1527 *287.2103* C16 H25 N5 1516 1232 2887 2909 2666 2660 2658 2477 1 1203 2441 2110 3902 3765 3888 3876 3400 3279 4030 4471 1286 1297 1416 1643 1015 1052 2633 2259 1162 1176 3557 4376 4813 5173 1 1086 1859 1655 6009 6412 1298 1521 3957 4103 2080 2058 2358 2129 1832 1640 1322 1428 2102 2623 1133 1242 1 1 1 1 2894 2911 2213 1858 3824 4127 1 1619 1653 1496 1794 1764 3013 3798 2113 2509 2071 1925 1733 1622 1 1 2746 2581 1586 1681 4242 3727 1018 1 287.2103 *287.2451* 287.2451@11.374344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2366 1 1 1 1 1 1 1 287.2451 *287.2455* 287.2455@13.075664 1 1 1 1 1 1 4670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2999 2350 1 1 1 1 1 287.2455 *287.2458* 287.2458@10.14097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.2458 *287.2458* 287.2458@11.284078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1598 1 1 1 2342 1739 1 1 1 1 1 1 1 1 1 2058 1 1489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3686 1 1 1 1 1 2463 1 2081 1 1 1 1 1 1538 1 1 1 1 1 1 1 287.2458 *287.2458* 287.2458@11.548965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.2458 *287.2459* 287.2459@10.112527 1 1 1 1 1 1 1 1 1 1 1 6420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.2459 *287.2463* 287.2463@10.112804 1 1 1 3376 1 1 1 1 1 4568 1 10042 1 1 1 1 1 1 1 1 23958 1 1 1 2050 1 1 1 1 1 1 814252 1 1 1 1 1 1 1 1 6967 1 1453 1 1 1 1 1 1 1 1 1 10320 1 1 1 4617 6158 1 1 1 1 1 4795 1 1 1 1 1 1 1 1 1 1 2843 1 1 1 1 1 5541 1 1 1 1 4383 1 1 3864 1 287.2463 *287.2463* C16 H33 N O3 + 14.140224 5990 13121 9078 7403 1 1 15767 12754 6266 1 15255 8164 8734 13221 13231 8676 7756 7053 9010 7727 5629 8761 11734 9043 12984 10185 11639 1 11362 10396 11924 7392 1 7405 7929 1 6775 11807 7857 11862 16634 11415 1 7812 14020 10251 7561 12827 9518 12260 1 6033 12143 7546 13817 5822 1 10002 7631 8350 11045 12172 7635 5991 1 10685 7827 1 6815 6847 7022 8182 7074 8000 8322 6155 7833 10205 11445 7595 7920 6811 6965 10987 13739 7258 3932 14053 13056 8586 287.2463 *287.2464* 287.2464@9.457652 1 2617 1 1 1 1 1 1 1 1 1 2783 1 1 1 86821 1 1 43334 1 1 1 1 1 1 1 1 1 1 1 1 59640 1 1 1 1 1 1 1080 1 1 1 1 8681 1 1 1 1 1 1 1 1 1 1 6203 1 3625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99428 1 1 84302 1510 1 1 287.2464 *287.2465* C16 H33 N O3 98469 95809 105888 104409 102852 103865 101341 100205 96094 102953 102436 102933 102957 103724 103367 18177 104220 100808 23251 101241 102848 105452 99731 100594 99937 101711 98983 98080 99670 101569 101569 34610 100381 99415 97727 101232 105322 102675 101404 100817 98107 98309 97801 94685 101745 98131 105702 100821 102200 99159 100491 101092 100688 101908 96640 103365 95852 97891 99805 99585 99857 97613 97645 99932 99718 101246 96573 94943 99069 97610 97825 98402 95870 97768 100065 98064 96302 94286 98716 102737 98901 98675 97677 1176 96038 99398 13211 97058 95413 94320 287.2465 *287.2465* C16 H33 N O3 + 9.924638 842900 847876 850414 853747 838367 836589 842243 849309 835835 850620 844042 838749 668095 837125 832785 831012 831056 823510 851025 828855 800309 822931 818212 844600 836918 836011 808392 836711 808863 816879 806378 4271 827253 825755 821955 819392 833604 823744 820143 813789 823571 805058 815419 820328 828575 807933 809649 805255 830217 839823 799826 807348 807337 802818 792188 786881 769125 807728 809595 797444 800507 806362 796210 800980 799710 785076 789097 776655 781764 784761 804615 782386 787371 785823 796506 791405 778220 782527 792118 802474 799349 798821 805320 789246 788835 792803 796523 790008 775033 785487 287.2465 *287.2522* 287.2522@9.544721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2725 1 1997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1917 1 1 1 1 1761 1233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.2522 *287.2612* 287.2612@9.473223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1112 1 1 1 1 1 1 1 1130 1 1 1 1 1 1 1 1 1 1 1 1 1 1630 1 1 1 1 1 1 1 1 1 1 1 1 2746 1 1 1 1 1 1 1 1 287.2612 *287.2674* 287.2674@9.44411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2036 1 1 1 1 1 1 1537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.2674 *287.2769* 287.2769@9.033043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.2769 *287.2825* C17 Sphinganine 25745 25877 1 1 76921 77311 1437 1 7016 7781 1373 1 41456 41009 47639 49437 1 1 176462 178656 21005 21832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20800 21884 48796 49450 24336 24698 3549 3639 1 1 1 1 4252 4135 1 1 1 1 1 1 1 1 84712 83228 1 1 1 1 3551 2668 1 1 6138 5294 1806 1 1 1 1 1 1 1 1 1 1 1 1637 1729 1 1 13182 13523 1 1 287.2825 *287.2922* 287.2922@3.6403599 1 1 3794 4271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.2922 *287.2973* 287.2973@3.627101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.2973 *287.8945* 287.8945@0.8436413 6023 1 1 5369 1 1 4629 1 1 1 1 1 4928 5839 1 1 5758 6345 5793 5128 1 1 1 5226 5452 5187 1 5496 1 1 5539 1 1 3389 1 2717 1 1 5005 5464 1 4284 1 1 1 1 5820 5228 1 4388 1 1 1 1 1 1 4120 1 4933 4913 5244 1 1 5900 1 1 1 5653 4961 4909 1 1 1 1 1 1 1 1 1 1 1 1 2300 2877 2944 3757 1 1 2366 5819 287.8945 *287.8992* 287.8992@0.8261946 1 5339 1 1 1 1 1 1 1 6496 6674 1 1 1 8480 6881 1 1 1 1 6063 6805 1 1 1 1 1 1 6941 6421 1 5793 1 1 1 1 1 1 1 1 1 1 6321 1 1 1 1 1 1 1 6527 6599 7179 1 6856 1 1 1 1 1 1 5579 5627 1 1 1 1 1 1 1 7053 1 1 1 1 1 1 6216 1 1 1 6158 3512 1 1 1 1 1 1 1 287.8992 *287.9085* 287.9085@0.8132516 1 1 1 1 1 5816 1 1 8783 1 1 7693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7629 1 1 1 1 1 1 1 1 5775 1 1 1 1 5277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7317 1 1 1 1 1 1 1 1 1 287.9085 *287.9149* 287.9149@0.8069985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3481 1 1 1 1 1 1 1 1 1 5430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.9149 *287.9167* 287.9167@0.8054254 1 1 1 1 1 1 3407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4190 1 1 1 1 1 1 1 3389 2965 1 3659 1 1 1 1 1 3067 1 1 1 1 1 1 1 1 3543 1 4690 1 1 1 1 1 1 1 1 1 3973 4015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6811 5870 1 1 1 1 287.9167 *287.9464* 287.9464@7.5974727 1 1 1 1 1 1 1 1 1 1 1 1 1063 1060 1 1 1 1118 1 1 1 1118 1 1 1 1136 1 1 1 1 1 1 1 1239 1 1030 1 1 1 1 1 1 1029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.9464 *288.0734* 288.0734@0.90549946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1449 1 1 1 1014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.0734 *288.0938* 288.0938@5.23077 1 1 1615 1600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.0938 *288.0965* 288.0965@4.32264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6211 6432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.0965 *288.1* 288.1@1.1970446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1092 1 1 1 1 1 1 1 1 1 1 288.1 *288.1322* 288.1322@1.2442276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1497 1 1 1 1114 1 1111 1 1 1 1 1 1128 1 2324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1283 1100 1 1 1 1 1 1038 1 1 1297 1076 1 1 1 1 1 1 1 1029 1 1 1 1 1312 1 2232 2120 1 1 1 1 1 1 1 1 1 1 288.1322 *288.1386* 288.1386@1.2409899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.1386 *288.139* 288.139@0.91601723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1026 1 1 1 1 1 288.139 *288.1432* 288.1432@1.2426615 1 1 1322 1136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1174 1 1310 1 1 1297 1 1 1 1 1 1 1003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.1432 *288.1539* 288.1539@1.243976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1111 1 1 1211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.1539 *288.1694* 288.1694@3.2303543 1 1 1 1 1 1 1392 1045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1012 1 1 1 1 1 1 1 1 1 1 288.1694 *288.234* 288.234@12.0121155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1 1 1 1 1 1 1 288.234 *288.2362* 288.2362@12.011856 1 1 1951 1739 1 1532 1 1 2130 1238 1 1 1 1 1 1393 1688 1667 1 1527 1 1 1 1 1 1 1 1354 1 1 1 1 1 1 1187 1 1 1 1 1367 1 1 1 1 1 1401 1 1 1 1 1 1 1 1 1 1 1 1 1311 1 1 1 1 1 1 1571 1 1 2094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.2362 *288.2494* 288.2494@9.616725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.2494 *288.2511* 288.2511@14.138551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.2511 *288.2643* 288.2643@12.978131 1 3058 1 1 1330 2268 2476 1805 2029 1 1382 1084 1 2563 1 6774 1 3254 1 1 1 1 5121 4979 4077 1 5200 1 1 1 1 1 1648 1 1 1 13512 1 1 1 1255 1 3885 1 1 1 8758 1 1426 1 1 2038 1 1 1 1 1 1 1 1 1 1 8887 1 1 1 1 1087 1 1 1 1 1 1345 1 1 1 1 1 1 1 2388 1819 1 1 1 1737 1 1 1 288.2643 *288.2649* C17 H36 O3 4777 10934 1191 10575 12040 2097 13131 10701 7675 1 9915 4976 1 5575 3310 2895 6478 2019 1186 1 2890 2564 4847 13288 2102 10215 5423 1310 1 1 13379 9038 2536 12397 2333 1 5069 1 2803 12627 2767 1375 6664 1 5339 1 2464 2019 9568 7873 1430 5301 1 10461 1 4231 1 2788 2073 1 1 1 6879 8063 4548 1 10192 11427 3956 1039 1 2003 1527 2577 1340 1 1 1 8257 10206 1 1087 2051 8115 1 1431 1193 1 6430 1 288.2649 *288.2649* 288.2649@13.158835 1 1 1 1 1 1504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9914 1 1378 1 1 1 1 1 1 1 1 1 1513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.2649 *289.116* 289.116@3.6897464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2229 1999 1 1 1 1 1 1 1 1 1 1 289.116 *289.1296* 289.1296@1.2465472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2564 2376 1 1 1 1 1 1 1 1 1 1 289.1296 *289.1297* 289.1297@4.144164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 289.1297 *289.1524* 4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline + 3.4088924 2552 2676 5669 5904 4557 4142 5146 4766 8287 8488 18297 18035 4079 3728 3762 4264 5937 5635 18010 17772 8921 8554 5927 4806 3232 3214 11877 11654 8739 8468 19786 20965 7518 7812 4008 4750 11340 10846 6157 5987 9861 8628 5172 5439 7989 8299 5246 5743 5089 4740 14035 13615 7409 7571 4788 5505 3246 3576 8254 8744 10789 9805 6256 6438 7869 8879 8792 9985 8334 8694 6967 7553 6431 5899 4701 5252 7422 6938 6209 6580 5984 5802 3573 3559 6661 7202 12929 12403 7136 7458 289.1524 *289.1526* 4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline 2671 2322 3333 3528 3202 3234 1957 1729 1261 1094 1900 1876 1215 1482 2268 1931 2706 2599 3563 2404 2844 2213 1 1 7815 7438 5203 5337 13829 14016 3358 2289 8851 9163 1982 1805 1136 1110 1402 1145 1 1 1839 1224 1294 1195 1485 1630 3306 3225 1575 1509 1280 1532 1 1 1263 1695 2112 2425 2565 2640 7552 8136 1723 2258 4876 4717 1609 1610 1671 1964 1 1 1510 1567 1555 1760 1291 1271 1811 1624 1 1004 2016 1993 3481 3554 2090 2284 289.1526 *289.1533* 289.1533@3.9304318 1 1 1 1 1 1 1504 1605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 289.1533 *289.1656* 289.1656@5.121342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1548 1 1730 1815 3589 1 1 1 1 1 1 1 1 1 1 1 1 1 4629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 289.1656 *289.2261* 289.2261@11.870858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6855 1 1 1 1 1 1 1 289.2261 *289.8846* C8 H2 O4 S4 3778 4446 3783 3576 1844 4374 4490 4594 4265 4146 4152 4241 4331 3711 4222 3913 4165 4034 3724 4389 4040 3676 4042 4347 3437 3773 3891 3728 3797 3630 4442 3612 4205 3636 4080 1 4112 1 4022 3783 4031 4085 4062 4073 1 4077 4060 1 3868 3959 3917 4128 4393 4025 3958 3846 4144 3558 3778 4102 4041 4070 4269 3935 3968 3780 3813 3492 3919 3971 3646 3741 3845 3762 3728 3927 3802 3547 3903 4023 3706 3900 3187 3603 3794 3566 3856 3765 3934 3910 289.8846 *290.0626* Inosine + 2.9386847 4685 17775 2568 7456 4012 3301 5443 4927 21531 7679 7970 6824 2935 1246 2723 5616 3461 1 6493 9489 6236 5694 5218 6174 5305 1869 2669 6600 3635 3241 5334 6183 11339 11352 3544 3816 3804 9629 2762 6554 9377 1 7702 9701 4939 5265 7567 4806 11421 1553 8708 1 2881 2704 10142 10157 1 2290 10619 9222 2598 9380 1684 1 5475 5978 7916 7587 1 11711 1847 7935 7426 8470 2508 2311 1 1 6565 1 8211 1 8436 6448 9824 8890 8654 7794 3884 1721 HMDB00195 C00294 290.0626 *290.0627* 290.0627@2.9269383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.0627 *290.0631* 290.0631@2.8885665 1 4681 1 2985 3294 1 3414 3968 1797 1 2879 1 1 2510 1 3218 6430 1 2016 1 1319 3232 1 2332 1 1 1 1 1 1 2357 1 1 1 1 1 1 1665 1 2829 4812 1 2799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3016 1192 1 1 1 1 1801 1404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1695 1 1 1 1 1967 1 290.0631 *290.0797* 290.0797@1.2472103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1384 1347 290.0797 *290.082* 290.082@2.8801308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2296 1 1 1 1 1 1 1 1 1 1 1 1 1 290.082 *290.0914* 290.0914@2.821171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3271 1 1 1 1 1 1 1 1 1 1 1 1 290.0914 *290.0917* 290.0917@2.7191386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1875 2634 1 1 1 1 1 1 1 1 1 1 1 1 290.0917 *290.0918* 290.0918@3.1152067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2249 1 1 1 1 1 1 1 1 1 1 1 1 290.0918 *290.095* 290.095@1.2460093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.095 *290.0957* 290.0957@3.065014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1505 1360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.0957 *290.1191* 290.1191@0.88399965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.1191 *290.1199* 290.1199@1.2530473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1085 1 1 1 1 1 1 1 1 1 1 290.1199 *290.123* 290.123@0.89166594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2907 1 1 1 1 1 1 1 3603 3970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.123 *290.1344* 290.1344@1.2470473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2357 1 1 1 1 1 1 1 1 1 1 1 290.1344 *290.1359* 290.1359@0.89899415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.1359 *290.1364* 290.1364@0.89965945 1 1 1 1 1802 2063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1332 5105 1 1 1 4261 3373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.1364 *290.1521* clavirin I 2966 3058 2551 2721 1 1 1825 1412 2751 3146 1 1 3519 3393 1 1582 1116 1374 1975 2956 1 1 1 1 1360 1 1 1 1 1 1 1212 1 1 1 1 2351 1 1882 1 3487 2337 3905 3894 2214 2411 3047 3041 3285 3089 1 1 1 1 2050 2015 1 1 1355 1135 2663 2672 3175 2714 2938 2858 1 1861 3941 3875 1625 1 1022 1004 1968 1769 2897 2896 1255 1432 3738 1 1 1330 1972 1650 1 2319 1542 1 290.1521 *290.1578* 290.1578@0.9309258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1879 1841 1455 1407 1392 1 1 1 1 1 3268 3808 1 1 1 1 1 1 1 4640 4433 3947 2519 5029 3720 3743 1 1538 1 1 1 1 1 1 1 1 2937 1 1 4288 1 1 1 1 1 1 1 1 1 1 1 1 2635 2973 1 1 1 1 1 1 1 1 1 1 1 1 1 4417 3615 3191 1 1 3970 3204 2991 3471 290.1578 *290.1734* 290.1734@7.822825 1 1 40545 40008 8379 7548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390884 390944 1 1 1 1 1 1 1 1 1 1 2955 1 1 1 1 1 3169 2621 5339 5742 1 1 1 1 1 1 1 1 1 1 3682 3995 62406 61502 1 1 1 1 1 1 1 1 1 1 30425 31088 1 1 1 1 1 1 3226 1 11929 11556 2514 1 1 1 1 1 1 1 290.1734 *290.1886* 8-hydroxy-17-octadecene-10,12-diynoic acid 5377 6844 5642 4082 1 1 1 1 6765 6502 3910 3796 1 6457 4427 1 6746 4027 3584 4779 1 5899 1 3605 4160 6620 3395 1 5914 6012 3640 1 3760 5643 3738 5448 3458 3591 1923 1 5973 1 6381 3303 3610 5403 1 1 6341 1 2376 3924 2107 1 4923 5352 3175 5966 3952 4902 1 3119 4547 4394 1 1 1911 5308 2983 2627 1 4070 1 4739 1 2572 3883 5214 1995 4016 4821 4675 4960 3189 1 1 3689 1 3289 5364 290.1886 *290.1899* 8-hydroxy-17-octadecene-10,12-diynoic acid + 13.171953 3067 1 1 3334 6692 6424 6305 6218 1 1 3501 3898 5819 1 1945 5947 1 3384 4279 3729 5807 1 6579 4446 1730 1 2349 6300 1 1 3939 5699 3466 1 1949 1 3946 4670 4456 5603 1 6183 1 1 3698 1 5354 5895 1 4832 2855 1 1 5705 1 1 2833 1 1 1 5312 4043 2809 3191 5051 5937 2596 1 1 3017 4735 3081 4437 1 5821 1 2488 1 3619 2905 2537 3334 1 2747 5273 4069 3909 5802 1554 1 290.1899 *290.219* 290.219@1.2474449 1 1083 2046 2539 1 1 1580 1758 1 1636 1 1197 1 1 1 1 1 1 1 1 1053 1 1 1 1 1 1368 1189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1051 1 1 1 1 1 1 1 1 1 1 290.219 *290.2204* 290.2204@1.2469839 1 1 1 1 1 1 1 1 1519 1 1 1 1 1 1 1 1 1 3317 3650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.2204 *290.2441* 290.2441@11.352249 1 1 1 1 2778 1 1 1 1 1 2965 1 1 1 1 1 2085 2642 1 1 1 1 1 2762 1 1 1 1 1 1 1 1 1 1 1 2440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2330 1 1 1 1 1 1 1 1 1 1 1 1782 1866 1 1 2283 290.2441 *290.3206* 290.3206@7.8233123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.3206 *291.096* 291.096@0.9531536 1 1 1 1 1 1 1 1311 1 1435 1 1 1021 1 1 1 1 1 1465 2067 1 1543 1 1 1 1 1 1 1 1938 1627 1837 1 1 2035 1 2486 3306 1 1 2573 2574 1160 1729 1685 2527 2921 1938 1 1 1 1343 2068 1734 1 1 1 1 2927 1719 1 2417 2693 1055 1456 1124 1 1 1227 1 2076 3114 1 1 1 1304 1 2822 4655 3098 2371 1 1 1 2490 2859 1 1 3304 2169 291.096 *291.1228* 291.1228@1.2410468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2280 2236 1 1 1 1 1 1 1 1 1 1 291.1228 *291.1494* 291.1494@0.9010053 1 1 1 1 1 6241 1 1 1 1 1 1 1 13613 1 1 1 1 1 1 1 1 17810 17009 1 1 14345 1 1 6636 1 1 15386 15540 1 10271 16968 17261 1 13020 13297 13218 17139 16033 10444 10371 13062 12165 10465 10050 1 11789 1 1 1 1 1 1 6278 6320 1 1 14737 14525 13546 13927 1 12495 1 1 1 1 1 1 1 1 1 13381 1 1 16216 14392 1 1 7834 9004 1 1 9912 9499 291.1494 *291.1502* 291.1502@3.9845302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11505 11554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 291.1502 *291.1505* Desethylchloroquine 12430 12398 12259 12804 6147 1 7459 6820 12830 12854 9561 10017 13543 1 8376 8690 8001 8297 11835 12165 7497 7213 1 1 8528 8350 1 14506 7602 1 5305 5657 1 1 10005 1 1 1 12598 1 1 1 1 1 1 1 1 1 1 1 11483 1 9113 8944 9224 8712 4516 4660 1 1 13987 13608 1 1 1 1 12525 1 18266 18097 7287 7812 5942 6417 7557 7338 14476 1 7561 1 1 1 9133 8238 1 1 14989 15104 1 1 291.1505 *291.164* 291.164@0.90003145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8980 1 1 1 1 1 1 1 1 1 1 291.164 *291.1694* 291.1694@8.23589 1 1 1 1 1 1 1741 1574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1800 2144 1 1 1 1073 1 1 1450 1 1 1 1 1 1 1 1 1 1 1 1632 1 1 1 1 1 1 1 1 1 291.1694 *291.2198* Penbutolol 4365 4446 4329 4111 4401 4470 4372 4155 4294 4058 4067 4115 3039 4487 4412 3699 4164 4326 3658 4021 4222 4278 3943 4158 4488 4471 4381 4381 3813 4529 4817 5150 4631 3520 4181 4262 3706 4091 4019 4260 4013 4218 4270 4221 4043 4323 4006 3987 3870 3866 3845 4060 3803 4191 4429 3642 4030 4372 3687 4011 4294 4075 4022 3975 3506 3576 4133 3941 3845 3720 3615 3865 4054 3645 4124 3877 2927 4279 3800 4608 4007 4121 3728 3773 3102 3924 3861 3646 4098 4146 C07416 291.2198 *291.2568* 291.2568@13.467563 2313 1 1 1 1 1 1 1 1 2965 1 2572 1 1 1 1 1 2621 1 2542 1 1 1 1 1 1 1 2095 1 1 1 1 1 1 2213 2292 1 1 1 2855 1 1 1 1 1 1 1 2153 1 1 1 1 1 1 1 1 1892 1 1 1 1 1 1 1 1 1 1 1972 1 2792 1 1 1 1 1 1 1 2288 1 1 1 1 2171 1 1 1 1955 1 1 1 291.2568 *291.2778* 291.2778@12.796605 1 1 1 1 1 1 1 1568 1 21885 1 1 1 1 1 3673 1 1 1 1 1 1 1227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 291.2778 *291.8585* 291.8585@0.83650684 1 1 45447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9353 1 1 1 1 1 1 1 1 1 1 1 50798 1 1 1 47566 1 1 1 53634 1 1 37994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44250 291.8585 *292.0655* 292.0655@2.6326299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3061 3696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.0655 *292.0674* C9 H16 N4 O3 S2 9135 1 1 16005 1 9391 13205 1 1 14766 1 18173 13426 13409 18787 1 1 1 22549 22335 1 1 14750 14065 9635 10156 1 1 9129 10385 1 1 22088 22540 1 1 14122 1 15495 14662 16200 16035 1 14830 14090 14098 17089 17998 1 1 1 21836 1 17765 9241 10268 1 1 12140 10583 1 1 1 21552 15509 15788 29717 29244 1 1 1 16179 11031 9419 19610 20645 12374 11437 9564 10161 1 1 1 16015 25247 1 18478 18489 6699 8033 292.0674 *292.1154* 292.1154@3.248703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2484 2173 1 1 1 1 1 1 1 1 1 1 292.1154 *292.1288* 292.1288@1.2290461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2770 3137 1 1 1 1 1 1 1 1 1 1 292.1288 *292.1513* C13 H24 O7 1 1 1 1 3424 3520 1530 1236 1 1 1685 1411 1510 1762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1349 1321 1 1 1385 1826 1 1 1 1 1 1 1057 1142 1 1 1 1 1691 1627 1200 1 1 1 1 1 1 1290 1 1 2326 2256 1019 1021 1921 1538 1102 1391 2449 2139 3235 3363 1635 1802 1102 1110 1 1326 1 1 1880 2153 1 1 1 1 292.1513 *292.1516* 292.1516@5.1487427 1 1 1 1 1543 1456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1298 1446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.1516 *292.162* 292.162@1.2349017 1 1 4189 3937 2110 2103 1 1 1 1 1 1 1 1 2062 2036 1 1 1 1 2675 2613 1676 1485 1 1 8033 8112 1542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.162 *292.1704* C18 H20 N4 1479 1298 1417 1460 1322 1521 1481 1373 1500 1 1417 1 1430 1407 1196 1296 1 1437 1358 1027 1566 1206 1346 1394 1791 1501 1 1727 1711 1428 1 1 1 1188 1550 1082 1080 1433 1412 1064 1512 1234 1353 1807 1197 1 1 1020 1177 1 1 1087 1 1 1 1 1 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 1 1005 1 1029 1 1 1 1085 1 1105 1 1 1038 1 1 1 1319 1 292.1704 *292.1834* 292.1834@3.9867764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3327 3556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.1834 *292.1843* 292.1843@4.159805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1588 1 1 6717 5551 1 1983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1919 292.1843 *292.1886* 292.1886@6.9553256 1 1 1 1 1 1 1 1 1 1 2260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4240 4950 1 1 1 1 1 1 1 1 1 1 292.1886 *292.2016* 292.2016@11.146607 1 1 1 1 1 1 1 1 1 1 1493 1 1 1 1 1 1 1367 1 1 1 1867 1522 1 1579 1041 1026 1 1346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1057 1363 1 1 1 1 1 1188 1 1 1 1216 1256 1 1 1 1197 1 1 2076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.2016 *292.2021* 292.2021@10.755852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.2021 *292.2257* 292.2257@4.9707994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2665 2588 4184 4002 1 1 1 1 1 1 292.2257 *292.2257* 292.2257@4.996043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8877 1453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2166 2056 1 1 1 1 1 1 1 1 1778 1671 1 1 292.2257 *292.2277* 292.2277@4.938457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.2277 *293.0892* 293.0892@3.6132324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11156 293.0892 *293.0894* 293.0894@3.5930254 1 1 1 1 13835 1 1 7679 1 1 1 1 11822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2214 2406 1 1 1 1 1 1 1 1 1 9370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3979 293.0894 *293.1288* 293.1288@0.9019553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.1288 *293.1464* 293.1464@2.9744062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3310 2043 1866 1 1 3252 3402 1323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6414 6544 1 1 1 1 1 1 1 1 1 1 293.1464 *293.1481* 293.1481@2.8935847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1145 1 1 1 1 1 1 1 1 1 1 293.1481 *293.1482* 293.1482@7.430223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.1482 *293.199* 293.199@3.9804711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32709 33749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.199 *293.1991* 293.1991@4.9484673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12267 12129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.1991 *293.1992* 293.1992@6.3714724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3861 3191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.1992 *293.1994* 293.1994@3.7969723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18698 20424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.1994 *293.1997* 293.1997@4.2359695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1181 1471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.1997 *293.2018* Dihydrolevobunolol 1038 1 1 1 1 1 1 1 1 1 1 1 1 1 1594 1517 1 1 1561 1 2426 1 1433 1 1815 1636 1727 1 1891 1312 4157 5242 1 1306 1 1385 1 1 1 1 1 1267 1 1414 1 1285 1 1 1 1347 1880 1334 2085 1998 1860 1831 1352 1 2173 2185 1539 1738 1 1 1238 1501 1 1 1265 1 1 1 1183 1 1 1290 1 1 1720 1332 1461 1 1479 1929 1 1 1 1 1842 1 293.2018 *293.2165* C21 H27 N 1 4258 3425 3892 1 4194 1 3759 1 1 1 3356 3856 1 3412 4411 3046 3623 1 2674 3766 3007 3425 3072 1 1 3446 3232 3553 1 3699 4200 1 2539 3778 3697 1 1 3454 3152 4005 4041 3635 3452 3717 3587 1 3329 3546 1 1 3256 2828 3578 1 4148 1 3100 3389 3374 1 2504 2465 2371 1 1 1 2570 3287 3320 3214 3122 1 3051 2694 3941 1 3422 2587 3317 1 1 1 3523 3300 3715 3246 2753 3124 1 293.2165 *293.9314* 293.9314@0.83800507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2487 1 1 1 1 1 6812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.9314 *293.9319* C7 H2 O11 S 8854 9021 10207 9063 10448 10678 10808 11131 11122 10515 11584 12082 10579 9682 11650 11214 11135 8751 10211 11120 10334 10545 10386 10437 9604 10459 8600 8715 10064 10363 9826 9153 9787 10587 10264 9272 10191 10970 10650 9071 10604 9744 8014 11410 10295 11522 10217 10413 2324 9349 8716 8355 10665 9967 10926 10577 8627 10460 10833 8708 10639 7547 10638 10214 10504 10338 10074 7668 10369 9062 9687 9835 9363 10217 8458 10311 9042 9896 10462 9881 9946 9949 8680 8894 10146 10742 8706 9979 9664 10372 293.9319 *294.0584* 294.0584@1.5437841 1 1 5413 1 6897 1 9384 7788 4618 5253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5431 3135 2781 1 1 1 1 4325 3969 1 1 1 1 1 1 1 1 3887 1 1 4966 1 1 1 1 1 1 1 11867 1 13944 3788 4348 1 1 1 1 1 7853 1 1 1 10061 4986 7194 1 1 1 1 3426 3085 5621 5876 1 1924 1 1 1 1 1 1 1 3219 1 1 294.0584 *294.059* 2-Butanone, 4-[6-(sulfooxy)-2-naphthalenyl]- 7138 7813 1515 1723 3555 3296 3146 2972 2525 2733 3422 3055 2697 3616 4941 4281 4455 4167 2552 2444 2571 2018 10042 10003 3408 3487 1 1 4917 4637 2265 2293 1560 1592 3987 4446 5073 4923 5467 5439 5350 4810 1520 1 4403 4219 4150 3948 5301 5246 2589 2935 4423 3899 9747 10688 2941 2814 7263 8759 2615 2803 3191 3679 2835 2818 4145 4678 2498 2510 3812 4220 3322 2687 1 1 2195 2546 2020 1655 4663 4945 3013 2464 3471 3608 1 1 3766 3960 294.059 *294.0592* 294.0592@1.5160218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.0592 *294.0647* 294.0647@3.0083153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1241 1 1 1 1 1 1 1535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.0647 *294.0849* 294.0849@2.8659484 1 1 1 1 1 1 1 1 1 1 1750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1563 1 1 1 1 1574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.0849 *294.0964* 294.0964@0.93703294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1238 1 1 1 1 1 1 1 1 1 1 294.0964 *294.1173* 294.1173@0.83212316 1 1 1 1 1035 1 1017 1198 1 1 1 1 1 1 1 1 1001 1 1180 1065 1202 1 1140 1279 1 1 1 1 1 1 1250 1 1 1 1 1 1 1382 1098 1214 1 1093 1 1 1108 1 1 1 1 1 1 1 1 1 1 1 1 1 1175 1 1249 1102 1310 1094 1 1 1 1 1 1 1051 1251 1 1 1 1 1 1 1 1 1176 1 1 1 1 1070 1 1 1 1317 294.1173 *294.1586* 294.1586@9.340343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1586 *294.1607* 294.1607@9.340432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1542 1486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1607 *294.1802* 294.1802@5.8979297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2290 2580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4729 4633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1802 *294.182* 294.182@11.901662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4017 1 1 1161 1 1 1 1 1 1 1 1 1 1 1 1 1 2387 1 1 1 1 1 1 1 1 1 1 1164 1 294.182 *294.1843* Embelin 3525 3421 4223 3588 3642 3347 3322 3321 3882 3130 3151 3480 3761 3804 4326 3533 3505 3462 4199 3652 3585 3059 3792 4426 3232 3482 3353 4234 3138 2711 3119 4409 4145 4350 4321 3989 3664 3741 3714 3784 3278 3748 3370 3677 3459 3716 2986 3739 3508 3015 3597 2604 3669 3395 3315 3262 2555 3386 3516 2912 3921 3967 2622 3854 3323 3286 3669 2832 3566 3107 2850 3707 3333 3485 3641 3022 2899 3200 3131 3276 2560 3227 3780 3853 3515 2678 3251 2649 3064 3509 294.1843 *295.059* 295.059@0.8545284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8036 6627 1 1 1 1 1 1 1 1 1 1 295.059 *295.1193* 295.1193@1.2195456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1612 2238 1 1 1 1 1 1 1 1 1 1 295.1193 *295.1627* 295.1627@7.146868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1860 2150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 295.1627 *295.174* 295.174@5.175361 1 1 3372 3316 1 1 1 1 1 1 1 1853 1 1 1 1 2695 3091 1 1 1 1 1 1 1 1 4838 4770 1 1 1 1 1 1 1 1 1873 1 1 1 1 1 1 2358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1062 1 1 1 1 1 1 1 1 2616 1 1 1 1 1 1 3089 3184 1 1 1 1 1 1 1 1 1 1 295.174 *295.185* 295.185@11.869398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 295.185 *295.1882* 295.1882@5.6512637 1 1 2433 2753 1 1 1 1 1 1 4862 5042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2061 2299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4608 3413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 295.1882 *295.2156* 7-hydroxy-10E,16-heptadecadien-8-ynoic acid 5432 5820 4454 3982 3030 4579 4641 5203 4993 3962 4860 4564 4510 3423 5142 5091 5193 4873 3667 3722 3755 4549 6290 4640 4612 3488 5218 4915 4777 4733 3737 3974 4785 4453 4909 4386 5562 4220 5034 4717 3808 4455 4920 4551 4090 4644 3801 3805 4208 4177 3985 4527 4514 4738 4985 4954 3700 3804 3963 5111 4135 4498 3513 4828 4933 4188 4490 4398 4504 4662 3531 4904 3514 4555 4699 3985 3148 4755 4575 3826 4331 3094 3599 3691 4632 4464 3291 4865 3810 4811 295.2156 *295.9191* 295.9191@0.8968968 1 1 1327 1161 1241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1333 1401 1 1184 1 1202 1 1 1088 1 1196 1 1 1 1 1082 1531 1343 1 1059 1 1 1 1 1 1 1 1 1 1 1117 1 1 1 1 1 1 1 1145 1150 1 1 1 1246 1 1 1 1 1 1 1297 1598 1 1 1819 1676 1145 1 1795 1627 1072 1 1 1 1231 1274 1 1 1 1 295.9191 *295.9526* 295.9526@0.7900629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 295.9526 *295.9619* 295.9619@0.78150856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1208 1 1 1 1 1 1 1 1 1 1 1 1 295.9619 *295.9683* 295.9683@0.7809967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 295.9683 *296.084* 296.084@3.6934025 1 1 1 1 1 1 1 1 1 1 1 1 1617 1702 1 1 2736 2746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4591 3937 1 1 1 1 1 1 1 1 1 1 296.084 *296.0955* 296.0955@3.232107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.0955 *296.1475* C13 H28 O3 S2 11286 11758 15213 14557 15736 14683 12100 11759 1 12350 12933 12778 34637 35573 11175 10871 158230 158148 14039 2511 9680 9765 10307 10304 11630 10525 13155 14164 21274 21445 11774 10207 10128 1 11849 12285 12791 12212 9606 9558 10340 9969 18085 17645 13848 12281 10428 11046 1309 8308 7163 7538 9742 9678 8073 8675 8276 8627 8455 8652 19426 19530 8158 8071 9959 9220 5983 6091 1 1596 1544 11219 8697 8095 8404 9607 10783 10417 70875 72591 13362 12725 7026 6982 1292 9479 1 1 1666 13088 296.1475 *296.2075* 296.2075@11.0974045 1 1468 1927 1787 1933 1 1 1828 1 1387 1521 2192 1 1838 1803 2037 1826 1 1525 1 1513 1 1 2949 1742 1 2199 1796 1516 1 1397 2277 1 1 2377 1622 1 1 1447 1511 1 1633 2069 1395 1 1162 2183 1372 1483 1545 1 1 1 1774 1361 1407 1240 1710 1398 3022 1 1755 1 1588 1170 1693 1 1 2397 1462 1303 1491 1 1 1 1939 1614 1676 1636 1437 1 1438 1305 1200 1 1 1541 1354 1 1663 296.2075 *296.2141* 296.2141@11.096874 1 1 1 1 1 2549 1 1 1 1 1 1 1713 1 1 1 1 1 1 1 1 1 1 1 1 1657 1 1 1 1 1 1 1492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3701 2153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1768 2059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.2141 *296.2298* 296.2298@10.235177 1 1 1 1 1 1 1 1 1 1195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.2298 *296.2339* 296.2339@12.812535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.2339 *296.235* 13S-hydroxy-9E,11Z-octadecadienoic acid 1 1 1 1 1 2096 2230 1 1 1 1 1575 1 2994 1666 1 2294 1572 1 3468 3660 2177 1672 2006 1613 2190 1 2073 1 2100 1348 1799 1812 1 1294 1 1 1653 1 1590 1795 1988 2430 1537 1 1 1 1 1 1659 1917 1 2679 4288 1 1838 1 1 1 1 1 1752 2715 1 2818 1366 1 1 2063 1 1 1 1 1571 2176 1 2076 1 1540 1416 1 1547 1738 2040 1 1940 1855 1937 1 1 296.235 *296.2372* 296.2372@14.4551 1 1 1 1 1 1 1567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.2372 *297.0963* 297.0963@0.92781335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1425 1310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1207 1 1 1 1 1 1293 1 1 297.0963 *297.1071* 297.1071@3.0842967 1 1 1 1 1 1 1 1 1 1 1 8697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10818 1 1 1 1 14144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11730 1 1 1 1 1 297.1071 *297.1112* 297.1112@1.2160027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1346 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.1112 *297.1164* 297.1164@0.9265315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2276 2492 1 1 1 1 1 1 1 1 1 1 297.1164 *297.119* 297.119@3.712345 1 1 1 1 1 1 1 1367 1 1 1206 1266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.119 *297.1211* 297.1211@4.689948 1 1 1 1 1 1 1220 1182 1 1 1961 1600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.1211 *297.1216* 297.1216@1.2140195 1 1 1 1 1 1 1 1 1 1 1 1399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1107 1152 1 1 297.1216 *297.1348* 297.1348@5.149444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1871 1 1 1 1 1939 1 1 1 1 1 1 1 1 1 1 1 1 1 2096 1 1 1 1599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1520 1 297.1348 *297.1363* C10 H23 N3 O5 S 3495 3711 1165 3775 3406 2547 4002 3676 3794 3798 4101 4024 3765 3913 3482 3932 3347 2565 1 3881 3904 3989 2078 4071 3940 4015 3879 2360 4350 4087 4274 4189 4914 3676 5177 4338 3753 3892 4517 4109 3765 1976 4120 4393 3968 1462 2478 1567 2707 3013 1 1 1 2776 2722 3090 1 3001 2654 1 1 1 2473 1 2364 2934 3179 3217 2743 3059 2257 3149 1 3464 2743 2819 1 3181 1 2451 2815 2809 1857 2840 2839 3411 3572 3106 1424 1911 297.1363 *297.1476* 297.1476@5.508659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1985 2611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.1476 *297.1773* 297.1773@5.043327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.1773 *297.1782* 297.1782@4.4258223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2430 2263 1 1 1 1 1 1 1 1 1 1 297.1782 *297.1785* 297.1785@4.343814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3122 2478 1 1 1 1 1 1 1 1 1 1 297.1785 *297.1799* C13 H23 N5 O3 2925 2720 3647 3380 1 2200 4065 3949 3126 3225 2805 2734 2945 2878 2950 2418 3463 3649 5685 5366 2587 2527 3391 3152 1483 1108 2725 2682 2382 1991 3506 3721 3480 3933 2489 2742 5413 5626 4595 5598 3985 4354 3172 3598 4209 5635 4259 4926 3129 3100 1975 2436 2786 3249 2010 2392 2314 1851 3732 3692 3392 3236 4353 3947 2410 2411 1381 1509 3264 2678 5677 4895 1865 1862 2702 2355 3009 3784 3740 3308 3058 3153 2246 2740 3965 4825 2141 2381 5398 3971 297.1799 *297.1953* 297.1953@7.213211 1 1 1645 1584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.1953 *297.2638* 297.2638@13.141408 1 1025 1 1 1 1 1106 1 1 1177 1 1 1 1 1 1 1 1 1 1 1 1267 1 1 1 1 1 1 1 1 1 1 1 1 1 1325 1 1 1428 1 1 1 1 1 1 1 1 1138 1 1 1 1 1 1 1 1 1 1278 1 1091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.2638 *297.919* C9 H3 Cl N4 S3 5664 1 5917 4486 3079 5664 5090 5712 5388 5710 5475 2753 5783 5778 7450 5484 1 5251 5625 5812 1 1 5826 5870 6049 5382 5502 5381 3614 1140 5553 5900 5281 5346 4628 2595 2363 3948 4857 2513 6087 5720 5408 5487 5539 5547 5645 1 2339 2482 5776 5793 2833 2567 5138 5660 3023 5434 1 5852 5559 2713 2797 5842 5356 1 3393 2754 1 2539 2814 6033 5261 5695 1 3132 3015 1 2497 2601 1811 5651 3087 5641 1 5399 1 2447 3739 5658 297.919 *297.9199* 297.9199@0.85854566 1 1 1 1194 2904 1 1 1 1 1 1 2348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2377 1 1 1 1 1 1 3485 3733 2545 1645 2920 1 1 1 1 1 1 1 1 3076 2914 1 1 2993 3054 1 1 1724 1 1 1 1 2848 3130 1 1 1 2155 2238 1 2728 1 1 1 1 1 2743 2504 2593 2791 2963 3817 1 2618 1 1 1 5377 2427 1 1 297.9199 *298.0471* 298.0471@3.0103564 1 1 1 1 1 1318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1035 1464 1 1242 1 1 1 1 1 1 1 1 1542 1524 2013 1911 1 1 1 1 1 1 1 1 1 1 1 1 1133 1213 1 1 1429 1508 1 1 2059 2033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1241 1 1 1 1 1 1 1 1 1 298.0471 *298.0625* 298.0625@5.3797784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1463 1206 1 1 1 1 298.0625 *298.1035* 298.1035@7.4350033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.1035 *298.1357* 298.1357@5.62448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1121 1 1 1 1012 1 1070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.1357 *298.1358* 298.1358@1.2365465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4196 4113 1 1 1 1 1 1 1 1 1 1 298.1358 *298.1413* 298.1413@5.8674097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1517 1 1 8504 1 1 1 9634 1 1 1 1 1 1 1 8255 1 1 1 10193 1 1 1 1 1 1 1 1 1 1 1 2130 1 1 1 1 11926 1 1 298.1413 *298.1416* Idebenone Metabolite (Benzenehexanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-) + 5.7281647 1 1 1 1 1 1 16735 1 5182 1 1 1 1 4958 1 13116 1 9094 1 1 3279 2643 1 1 1 1 1 1 1 13183 4479 21168 74631 1 8785 1 1 1 1 3425 1 13463 1 1 1 11807 1427 1465 9901 9167 1 57780 1 1 1752 21499 20419 17835 7553 1 5415 18166 1 3448 1687 7317 20908 5670 14709 1 6881 7859 2689 1 6025 1 1 37551 1 1147 8388 12306 97177 20568 16583 1670 1 49978 68773 2431 298.1416 *298.1418* Idebenone Metabolite (Benzenehexanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-) 11390 16024 19788 17621 2532 22758 4281 20001 15672 26433 18247 5211 19337 15942 34366 30952 17826 24788 44440 31056 14329 45911 34393 25543 53568 51688 37276 37889 39672 35284 58910 1100 8992 68493 35803 28265 34037 30589 32856 32678 77073 48988 21429 19784 33918 50607 48417 50411 22534 40389 61623 10725 57691 5827 77658 81044 60526 70966 70205 52705 61957 41589 57270 59715 34558 72620 51542 28319 6484 79678 82717 86302 48734 28222 59582 5639 49139 12945 90649 86335 82834 71883 14054 58208 22395 59318 43983 12749 14653 51088 298.1418 *298.142* Idebenone Metabolite (Benzenehexanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-) + 5.8371787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10181 12595 12444 11334 1 10266 15152 12322 13890 1 11073 10557 14592 4784 14295 5023 1 1 1 1 1 10712 12378 13461 1 1 13241 7681 13388 4083 10215 9724 7062 1808 20845 19914 6753 12369 21908 8797 2361 19488 16392 2204 1 3333 19929 16828 14937 3932 8921 14926 22897 8667 11425 2973 4039 13822 18702 23116 5330 20610 18598 7288 21107 12547 3930 3972 17339 4882 19894 11044 298.142 *298.1488* 298.1488@0.91101515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1041 1 1 298.1488 *298.1542* 298.1542@4.03879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.1542 *298.1568* 298.1568@11.307695 1199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.1568 *298.1681* 298.1681@6.8299623 1 1 1 1 2316 2008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075 1438 1 1 1 1 1 1 1 1 1 1 298.1681 *298.1748* 298.1748@8.859976 1 1 1 1 1 1 1460 1 1 1 1 1 1 1 1361 1 1213 1 1 1 1056 1 1 1 1 1 1 1 1470 1 1058 1178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1254 1 1 1 1272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1197 1 1 1 298.1748 *298.1781* 298.1781@3.7380118 1 1 1890 1519 1390 1 1427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1100 1 1 1 1 1 1 1 1357 1 1 1 1 1 1142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.1781 *298.2498* 8R-hydroxy-9Z-octadecenoic acid 3153 2571 1 2872 3082 1 2880 3617 2458 1 3780 15401 3408 3472 3127 3687 3172 1 1234 1 3432 3429 3396 3562 2881 3231 3220 3482 1 2830 1 1 1 2542 2215 1 3567 3709 3598 2497 2866 1553 3622 1 3026 3183 1 3246 1353 3306 3045 3414 2869 3274 2729 2919 3278 1651 1 3545 1 3199 3517 2493 2972 3270 3682 2934 2022 1 2225 1 1 1 1 2764 1 1 2779 2649 2691 3503 1 1 2842 3315 2763 1 2781 2283 298.2498 *298.25* 8R-hydroxy-9Z-octadecenoic acid + 12.146298 12813 7378 1851 14924 1 11780 1292 7018 6444 1 7582 1281 1 1641 1 7500 1 13701 13223 12688 2537 6189 1 1 8313 1 1602 1 11672 1 13661 13283 13563 1 7577 15600 6852 2205 7342 1 1 1025 5570 4555 1634 7574 1208 1 1695 1229 1526 6517 1 1 1243 1984 1034 2058 1 4423 10946 12932 1 6380 2400 5783 5823 7511 1651 11268 11590 1761 5871 1332 10792 6382 12174 13907 1651 1 1 1 12606 7632 1 3163 1 12551 12722 1450 298.25 *298.2501* 298.2501@12.756791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1943 1 1 1 298.2501 *298.2502* 8R-hydroxy-9Z-octadecenoic acid + 12.259173 4873 1 7631 6844 5381 4687 7312 1 1 7890 1 6962 7933 1 7569 1 6822 1928 4851 7043 7601 1 7291 6653 1 6641 1268 2367 6370 4648 6300 6430 7031 4738 4482 7606 1 4413 1316 7022 7253 1182 1 12073 9951 1 12928 4699 6175 4974 7617 1 6841 7397 6407 4321 1072 6271 6801 1 6247 5750 6301 1 6363 1 1 1 4002 5809 5761 6271 1 6800 1932 1179 6729 6445 5902 5704 6421 5642 5667 6024 4290 1 1767 6067 6828 5500 298.2502 *298.2502* 298.2502@12.576526 1 1 9659 1 1 1 1 1 1138 1 1 1 1 1 1 1 1 6792 1922 1 1 1 1 1 1 1 8047 1 1 1 1 1 1648 1 1 1 1 1 1 1 1 9096 1 1 1 1 5513 1 1 1 1 1 1 1 1 1 1190 1 1 1 1 1 1 1 1 1 1 1414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1830 1 1 1 298.2502 *298.2503* 8R-hydroxy-9Z-octadecenoic acid + 12.398762 8574 7868 7459 8482 8415 7365 8151 8291 9480 4211 9047 9778 3743 6405 10219 8554 8417 6537 6607 9048 7737 3599 9023 7891 8871 9186 5091 8271 7953 2033 9597 1763 1568 3855 6724 8470 7195 8097 8377 8474 3376 6083 9484 8101 9670 9130 8520 9012 7076 7370 6580 6709 7850 9020 8911 8045 7614 7624 9297 1851 5990 9041 3904 8224 7542 8597 8073 6355 7900 7894 3893 5895 7718 1447 8777 7957 3298 3603 3634 8676 8084 8031 5367 8064 8058 7848 7904 8793 8043 8187 298.2503 *298.2505* 8R-hydroxy-9Z-octadecenoic acid + 12.002578 3130 12459 2862 1 13101 3059 14251 15236 11730 13673 13270 1676 12660 13695 12909 14229 14739 3195 2888 1296 10247 13827 8468 9388 8104 7795 10049 14005 3132 13462 2776 3426 2930 12996 3846 1104 13739 14216 13379 12235 13481 12115 14305 1712 13132 13025 2795 13548 14381 10945 11226 12364 11207 12527 5320 11135 9476 14634 13807 13450 2730 1 13037 12474 9693 11199 13285 12459 14861 2335 1 9669 14082 13012 1 11231 3455 3528 14087 7074 10909 7093 1200 1303 10232 11822 12498 2574 1 10904 298.2505 *299.0779* 299.0779@3.3202355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 299.0779 *299.0982* 299.0982@2.7733455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.0982 *299.0983* 299.0983@2.866048 1 1 1 1 1 1 1 1 1 1 1205 1 1 1 1 1 1 1 2451 2715 1 1 1 1 1 1 1 1870 1 1 3012 1083 1847 1837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8035 3290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2420 1804 1668 1698 1 1 1682 1997 1 1127 1 1 1 1471 1 1 1 1 1 1 299.0983 *299.0993* 299.0993@2.9202104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2346 1 1 1 1 2220 1 1 1 1 1 1 1 3113 1 2420 1 1688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7562 4526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1756 1 1414 1 1 1 1939 1261 1 1 1 1 1 1 1 1 1 1 299.0993 *299.1086* 299.1086@1.047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.1086 *299.1097* C16 H17 N3 O S 9389 8469 4556 4968 2012 2392 3689 3520 9486 9567 4690 4815 6565 6941 13809 12070 7042 7498 5640 4748 5395 5374 7226 6376 6777 6407 5674 4323 5980 6139 4851 4884 1705 1 3640 4193 7689 7782 4892 3565 4877 3718 3334 2679 8688 7517 9214 8641 7796 9036 7021 6552 7377 7040 12323 8390 5776 6816 5819 5983 6630 6751 3490 3448 4775 5380 3477 3322 4665 4924 6657 6597 2701 2800 2766 3206 6031 6367 2604 2648 5040 5827 2861 2381 3501 3147 3215 3466 3720 4711 299.1097 *299.1194* 299.1194@1.2440324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.1194 *299.1249* 299.1249@1.2446756 1 1008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1 299.1249 *299.1311* 299.1311@3.151085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1599 1582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.1311 *299.1811* C9 H25 N5 O6 7401 7294 8494 7192 5515 6834 5411 5279 5748 5005 5770 5629 5003 5094 6268 5018 4852 5099 4378 6954 5959 4496 5198 5641 4734 5178 5084 4573 5279 5404 4683 4064 4376 5732 4818 4915 5245 4692 5396 4538 4543 4689 1 4884 1 3332 3637 3303 3229 3422 3399 3065 2966 3191 3436 3518 2855 1 3165 2451 1 3509 2934 3141 3154 3555 3929 1 3199 3162 1 3372 1 2963 1 2732 4233 2898 3944 3257 2133 1 3169 3153 1 2443 1 3342 3133 3183 299.1811 *299.1924* 299.1924@4.736333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16850 299.1924 *299.1935* 299.1935@5.1555996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.1935 *299.1938* 299.1938@4.724356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4519 1 1 10611 8974 1 7801 1 1 1 1 1 1 7963 6744 1 1 1 1 1 1 7704 4021 1 1 1 2710 299.1938 *299.1941* 299.1941@4.122899 1 1 1 1 1 1 1 1 1 1 1 1 21311 90596 1 27093 1 1 1 1 1 1 1 1 1 1 1 1 135404 1 130692 1 1 1 2419 1 1 1 19302 213492 1 1 1 1 1 1 1 1 15820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.1941 *299.1946* 299.1946@6.2914696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3573 1 4754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2058 1 2849 1 1 1 1 1 1 1 1 1 299.1946 *299.1957* 299.1957@4.0007787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 745320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.1957 *299.1958* 299.1958@3.8233805 1 1 1 1742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 617576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.1958 *299.2098* 299.2098@5.915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.2098 *299.2707* 299.2707@12.0416155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1744 1 1 1 1 1 1 1 1 1 1 1 1 1 2223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1676 1 1 1 1 1 1 1 1 299.2707 *299.2761* 299.2761@10.284198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.2761 *299.2789* C14 H33 N7 2593 1 2838 1 4147 2911 1 2852 1 2797 1 2352 1987 1 2946 1 4083 1 4001 3577 1 3137 1986 2810 2374 1 1 1996 2847 3644 2904 1 1 2914 1 3937 3016 2909 1 2247 1 2626 2287 3138 5759 4160 2414 3588 3809 1 4032 2575 3612 4361 4258 3925 1 2573 1 5102 1 2307 2595 4029 1 1 1 3451 2934 5848 2330 3711 1 2331 1 1 4192 3802 3406 1 1 1 3007 1650 1 1 2554 2449 3293 5146 299.2789 *299.2792* 299.2792@11.906464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.2792 *299.338* 299.338@3.9957228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8803 10582 10587 1 9607 1 10137 1 10584 1 1 1 9952 11676 10292 10731 9521 1 9607 11624 1 1 1 9604 10319 1 11567 1 1 1 1 9673 1 1 11103 9499 10097 11000 1 10356 1 10431 1 8810 299.338 *299.7866* 299.7866@3.998052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.7866 *299.7984* 299.7984@4.00014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.7984 *299.8063* 299.8063@3.9977174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1043 1 1 1 1 1 1 1 1 1 1 1 1 299.8063 *299.8131* 299.8131@3.999032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.8131 *299.8221* 299.8221@3.995126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 1 1 1 1 1 1 1 1 1 299.8221 *299.8294* 299.8294@4.0000267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.8294 *299.8349* 299.8349@4.001909 1 1 1857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.8349 *299.8529* 299.8529@3.9981205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.8529 *299.8664* 299.8664@3.9983108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.8664 *299.8702* 299.8702@3.9999294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1 1 1 1 1 1 1 1 1 1817 1 1 1763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.8702 *299.8946* 299.8946@3.9980319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.8946 *299.9091* 299.9091@0.8241798 1 1 3207 1 1 1 1777 1549 1551 1 1 1679 1 1 1 1 1413 1 1 1 1 1 1456 1 1191 1 1692 1614 1 1494 1694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1328 1 1 1 1 1 1 1 1 1 1 1057 1 1 2866 1 1 1071 1 1 1463 1 1 1 1 1 1 1 1 1 1 1310 1 1841 1 1 1 1 1441 1 1487 2878 1 1 1795 299.9091 *299.9117* 299.9117@0.8255648 1 1147 1 1 1 3161 1 1 1 1 1 1 1 1 1564 1 1 1 1527 1 1715 1444 1 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1225 1 1 1 1417 1 1563 1 1 1262 1 1 1 1 1361 1 1 1 1 1 1 1 1 1 1 1172 1 1 1 1017 1 1 1 1 1 1 1 1148 1 1 1633 1 1 1 1 1 299.9117 *299.9161* 299.9161@4.0051136 1285 1 1 1 1 1 1 1 1 1595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.9161 *299.9179* 299.9179@0.8259999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.9179 *299.9233* 299.9233@0.8219764 1 1 1 1 1 1 1 1 1 1 1 1 1 1342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.9233 *299.9318* 299.9318@0.81901276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1110 1 1 299.9318 *299.9395* 299.9395@3.9999766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.9395 *299.9485* 299.9485@4.002856 1 1218 1 1809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.9485 *299.9547* 299.9547@4.0005984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.9547 *299.9602* 299.9602@4.001507 1 1 1 1 1 1 1 1540 1 1 1306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.9602 *299.966* 299.966@4.001964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.966 *299.9674* C21 O S 4027 4025 3528 3784 3867 3815 4503 3999 4287 3378 3687 3737 2564 3801 4262 2789 3624 4299 3648 3459 3631 1 3696 3637 3771 3628 4454 3948 3262 3340 3360 3028 4105 3651 4064 4738 3880 4188 3565 3862 3805 3720 3975 3669 3933 4201 3318 3643 4382 4296 3912 3648 3327 3336 2934 3549 3729 3477 3596 3143 3763 3784 3478 4010 3563 4145 3934 3312 3235 3162 4139 4093 3453 3442 3688 3642 3718 3320 2957 4302 3230 3139 4370 3536 4147 4152 4061 2618 3756 3526 299.9674 *299.9939* 299.9939@4.0104775 1148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.9939 *300.0091* 300.0091@4.002865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.0091 *300.0156* 300.0156@3.9961205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.0156 *300.0269* 300.0269@4.00189 1 1 1 1413 1 1 1 1 1 1 1 1 1352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.0269 *300.0351* 300.0351@3.9963207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1281 1 1 1 1 1 1 1 1 1 1 1 300.0351 *300.067* temazepam 3033 2998 2304 2083 3066 1367 1408 1696 2515 2799 2521 2629 1 2902 2910 3047 2558 1162 2397 1 2481 2350 2599 2619 1 1986 5254 4578 2201 1485 3342 3244 2718 1 1 1 1 1778 2968 2753 1 1 2357 2503 2654 2620 2624 2409 1 1 2488 2512 1 1 2483 1854 2280 2863 1216 1 1 1 2319 2510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C07125 300.067 *300.0698* 300.0698@2.0560126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.0698 *300.07* 300.07@2.0271797 1 1 1 1 1 1453 1329 1 1 1 1 1 1 1 1 1 1 1277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2024 1 1 1 1 1 1 1 2016 1 1 1 1 1 1 1 1 1 1 2049 2470 1 1 1 1 1682 1439 1 1 1 1 1642 1769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.07 *300.106* 300.106@1.1840273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1560 1583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.106 *300.1102* 300.1102@5.5158978 1 1 1 1 2900 2789 2277 1788 1 1 1436 1924 1 1 1 1 1 1211 1 1387 1721 1430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1164 1658 1022 1 1 1 1 1320 1394 1 1269 1 1 1 1 1 1 1 1763 1875 1 3176 1813 1 1 1 1 1 1089 1 1195 1 1 1 1 1 1 1 1 1 1 1073 1 1 1 1 1 1 1336 1 1 300.1102 *300.1102* 300.1102@5.2065606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.1102 *300.1125* 300.1125@1.1830438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1160 1 1 1 1 1 1 1 1 1 1 300.1125 *300.1213* 300.1213@1.1810435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1159 1 1 1 1 1 1 1 1 1 1 1 300.1213 *300.1303* 300.1303@3.5568063 1 1 1 1597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.1303 *300.1312* 300.1312@2.9886267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1616 1232 300.1312 *300.1313* 300.1313@3.1261876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1193 300.1313 *300.1329* 300.1329@1.2395468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4066 3326 1 1 1 1 1 1 1 1 1 1 300.1329 *300.1347* 300.1347@11.726331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1259 1 1 1 1 1 1 1 12770 1 1 1 1 1 1 1 1 1 1 1 1 1 11953 1 1 1 12752 1 1 1 1 1 1 1 1 4812 1 1 1 1 1 1 1 1 1 1 1 1 2072 1 1 1 1 1 1465 1 10261 1 1 1 1 1133 1 300.1347 *300.1568* 300.1568@5.357984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1288 1 1 1 1 1 1 1 2726 2583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.1568 *300.1685* 300.1685@3.7632186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1902 2194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.1685 *300.1974* 300.1974@4.131779 1 1420 1 1 1 3808 1 1 1 1 1 1 1 1 1 1 2317 1 1 1 1 1 5187 1 1730 1 1 1 1 1 1 1 1 1 1789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1244 1 1 1 1 1 1 1 1 1 2286 1 1408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.1974 *300.1985* 300.1985@14.253541 1 1 1 1 1 1 1 1051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.1985 *300.2039* 300.2039@14.13791 1 1 1 1 1 16350 1 1 17281 1 16090 1 1 1 1 17117 1 1 1 16913 15442 1 1 1 1 16798 1 1 1 17261 1 1 1 1 1 1 1 1 1 1 1 15827 15635 1 16876 15630 1 1 1 1 1 15587 1 1 1 1 14161 1 1 1 1 14348 1 1 1 1 1 1 14995 13792 1 1 13066 1 12961 1 1 1 15027 1 1 13938 1 1 1 15492 1 1 1 14368 300.2039 *300.2218* 300.2218@5.918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.2218 *300.2775* 300.2775@8.992585 2413 2103 2199 2060 2089 2010 2158 1904 1805 2640 1907 2188 2266 2340 1961 2137 2162 2082 2079 2441 2130 1850 2079 1950 2125 1506 2493 2025 2204 2227 2619 2201 2272 2457 1761 2564 1939 2073 2080 2062 2510 2235 1932 1947 1611 1392 1629 1740 1 1863 2205 1832 1693 2040 1629 1835 1539 1721 1541 1424 2715 2948 1463 1677 1639 1535 1568 2005 1640 1796 1 1925 1480 1926 2704 3108 1785 1537 2506 3132 2589 2956 1605 1341 1408 1605 1431 1557 1532 2453 300.2775 *300.345* 300.345@4.001002 1 1 1 1 1 1 1 1 1 1 1 1188 1 1894 1637 1 1 1 1 1 1725 1 1 1883 1 1 1 1 1 1 1 1 1 1 1335 1 1927 1 1 1 1 1972 1 1 1 1132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.345 *300.3481* 300.3481@4.0025077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.3481 *301.0818* 301.0818@0.9235314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2255 2397 1 1 1 1 1 1 1 1 1 1 301.0818 *301.0928* 301.0928@0.9125211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1484 1689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.0928 *301.1163* 301.1163@1.2589931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1826 1 2536 1 1 1 1 1 1 1660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.1163 *301.1179* 301.1179@0.8985139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1689 1 1 1 1 1 301.1179 *301.1216* 301.1216@1.2482717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2392 1 1 1 1 2070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9644 7553 1 1 1 1 1 1 1 1 1 1 301.1216 *301.1253* 301.1253@1.0210689 1071 1 1 1 1 1091 1 1 1363 1319 1 1 1427 1360 1 1 1 1136 1029 1387 1 1 1 1305 1 1 1531 1656 1 1 1 1 1 1 1 1 1 1284 1 1 1 1222 1 1 1062 1 1470 1 1176 1484 1 1 1023 1 1 1 1 1 1670 1756 1097 1484 1 1275 1 1 1 1193 1 1298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1465 1147 301.1253 *301.1335* 301.1335@1.2170204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1236 1 1 1 1095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1094 301.1335 *301.135* 301.135@4.2099886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9398 10037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18778 19062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.135 *301.1389* 301.1389@11.676755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.1389 *301.1524* 301.1524@3.495428 1 1 1 1 1 1 1 1 1 1 1153 1220 1 1 1 1 1 1 1 1 1981 1942 1 1 1 1 3451 2881 1 1 1 1699 3190 3115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2008 1 1 10467 10213 1 1 1 1 1 1 1 1 1712 1365 1 1 1 1 1 1 1 1 1 1317 1 1075 301.1524 *301.1882* 301.1882@3.7921083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.1882 *301.1885* 301.1885@3.6181657 2324 2534 1 1 1 1 1 1 1 1 1 1 1 1 1327 1060 1 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 1 3257 3272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1488 1160 1 1 1 1 1 1 3111 3163 3022 3666 3153 3278 11635 11263 5156 5712 2932 3270 2814 3018 2422 1666 4552 3622 3613 3797 8911 9198 2244 2476 5326 5478 4158 3888 2885 3139 301.1885 *301.1894* 301.1894@6.2310815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.1894 *301.1896* 301.1896@3.3844411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1650 1738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2186 1746 1 1 1 1 1 1 1 1 1 1 1 1 2025 2133 1 1 1 1 1 1 1 1 301.1896 *301.1912* 301.1912@6.4221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.1912 *301.2001* Ile Ala Val 1170 1013 1686 1636 1219 1432 2035 2271 1776 1686 1 1352 1799 2046 1377 1583 1688 1582 1847 1896 1264 1260 2501 2518 1 1 1 1 1208 1536 2480 2232 1435 1544 1811 1 4890 5042 2610 2530 1820 2071 2007 1857 1575 1553 2840 2613 1619 1440 2010 2178 2259 2391 1610 1206 1 1 3066 2621 2092 1955 1596 1 1321 1564 1 1280 1979 2261 2729 2255 1135 1160 1899 1920 2163 2030 2436 2247 2043 2220 2131 1732 3291 3230 1 1 2741 2835 301.2001 *301.2229* 301.2229@10.939549 1 1 1 1 1 1 1 1218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1375 1158 1 1 1 1 1 1 1 1 301.2229 *301.2231* 301.2231@10.067273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.2231 *301.2262* 301.2262@10.143737 1 1 1 1 1 1 1 2632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2049 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.2262 *301.2365* 301.2365@7.351591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.2365 *301.2976* 301.2976@11.313012 1 1 1 1 1 1265 1 1 1 1 1 1 1 1 1 1 2441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1271 1 1 1242 1 1 1 1 1007 1783 1 1622 1 1 2760 1 1 1 1 1 1 1 1 1 1673 1044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1490 1 1 1 1 1 301.2976 *301.2982* 301.2982@11.379143 1 1 1 1 1 1819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.2982 *301.9309* 301.9309@0.8030645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.9309 *301.9354* C9 H2 O10 S 1480 1561 1916 1663 1784 1761 1985 1 1759 1993 2025 1488 1 1417 1817 1515 1367 1 1798 1847 1699 1969 2139 1882 1 1 1 1 1655 1 2555 1 2113 2680 2368 2244 2321 2240 1 2084 1764 2126 1983 2147 2148 2027 1 1342 1775 1510 1 1761 1533 1527 1 1458 1674 1760 1586 1955 1646 1604 1991 1593 2366 2174 1987 1941 2108 2144 1788 1868 1791 1815 1922 2239 2312 2208 1715 1923 1860 1735 1597 1 2564 2942 2371 2348 1 1 301.9354 *301.9416* 301.9416@0.80299246 1 1 1 1 1 1 1 1764 1 1 1 1 1 1 1 1 1 1232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.9416 *302.0188* C14 H10 N2 O2 S2 7688 8223 7492 8490 9989 9193 10202 9707 9717 9794 9460 10093 11702 11296 12052 10610 10451 10611 9145 9209 10120 10511 10281 10952 10966 10321 10549 12980 15511 14874 11851 11980 13218 12238 12417 13210 11973 12382 11716 10762 11409 10430 11729 10831 10987 11239 11486 12971 14061 14739 13097 12669 13403 12537 11810 12955 12644 12407 12674 12400 11968 13005 12583 14000 11469 11704 13032 15501 15609 15197 17111 15731 14925 15688 15406 15441 14410 14603 7974 14777 13957 15882 16984 18002 13460 13519 13875 14934 16023 15001 302.0188 *302.0785* 302.0785@0.93320006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1560 1263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1432 1 1061 1 1 1 1 1 1630 1530 1132 1339 1 1 1429 1540 1 1 1 1 1 1 1 1 1 1 1409 1 10078 9531 1289 1 1 1 1 1 1 1 2380 2364 302.0785 *302.1111* 302.1111@1.1514022 1 1 1 1 1 1 1 1 1 1 1091 1 1 1 1 1 1 1 1491 1396 1 1 1 1 1 1 1718 1 1 1 1 1 1 1 1 1 1 1 1220 1231 1 1 1225 1013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1164 1501 1 1 1 1 1 1 1 1 1 1 302.1111 *302.1634* 302.1634@4.3993807 1 1 2122 2060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1461 1487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.1634 *302.2457* 302.2457@12.425614 1 1 1 1 1 1 3079 1 1 1 1 1 1 1 3272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2771 1 1 1 1 2600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.2457 *302.2819* C18 H38 O3 14205 13544 9133 13252 12907 12576 13919 11549 12909 13806 2902 13913 2605 13184 12420 12024 13052 12327 13217 12542 7704 11631 12791 7230 2584 2037 12934 12508 6647 8369 11921 13009 11917 11502 11929 12468 13073 7116 12437 13592 8007 12550 6916 7618 12069 12695 3034 13508 12865 13373 12982 7286 13829 13080 12676 13090 11490 1 13053 11888 12406 13444 12709 13201 12298 12468 11280 11990 6596 12797 6873 12929 12611 12276 14622 12245 12839 12397 7432 13523 13000 12645 11811 11937 1825 6173 12216 12033 12482 11920 302.2819 *303.0202* 303.0202@0.7690237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2897 1 1 1 1 1 1 1 1 1 1 1 303.0202 *303.0734* 303.0734@3.2673533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1257 1 1 1 1 1 1 1 1 1 1 1 1 1006 1278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.0734 *303.1096* C20 H17 N S 1617 3364 1 1 1196 2962 1243 1 3577 1 1 2441 1 1206 1094 1 1186 1 4476 1 1302 3392 3641 1572 1 1 1 1 1 1 1812 1 1 1419 1 3436 1 4430 3482 1686 2812 2960 1 1282 2973 1487 1804 4008 1586 1050 1 1 1467 4255 1 1045 2768 1 3988 1780 1 1 1 1 1573 1509 1 1 1400 1491 1 1863 1006 1 1916 1 1 1 1 1 3317 1392 1556 1 1 1919 2478 1371 4653 5031 303.1096 *303.1164* 303.1164@1.2444677 1 1 1110 1 1 1 1 1 1 1455 1 1 1323 1 1 1 1 1198 1 1346 1 1 1 1 1 1 1 1 1347 1318 1 1321 1434 1 1511 1 1 1 1 1 1 1 1221 1 1 1 1 1 1 1 1673 1493 1 1 1 1 1 1 1 1 1616 1612 1435 1048 1 1 1 1 1 1 1540 1 1 1267 1 1332 1659 1533 1 1 1 1 1 1889 1918 1 1 1 1 1 303.1164 *303.1241* 303.1241@1.2449231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.1241 *303.1322* 303.1322@4.322811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4804 5689 1 1 1 1 1 1 1 1 1 1 303.1322 *303.1465* 303.1465@4.2001276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.1465 *303.147* 303.147@5.8695755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4313 4470 1 1 1 1 3928 3345 4143 4768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.147 *303.1479* 303.1479@5.8813863 1 1 1 1 2251 2951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3960 4335 1 1 1 1 4132 1093 3945 2525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.1479 *303.148* 303.148@3.8305523 1 1 5031 5019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7637 9315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.148 *303.1668* 303.1668@3.7807148 1 1 1 1196 2115 1819 1258 1045 1 1 1 1 1 1 1 1 1 1 2306 1994 1 1 1 1 1 1 1984 1868 1 1 2037 2649 1631 1561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1637 1575 1 1 1149 1 1 1 1 1 1 1 1 1 1547 1586 1122 1 1 2091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1524 1919 1426 1 1455 303.1668 *303.1681* 303.1681@4.5856824 1 1 3622 4250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1206 1 1 1 1 1 1 1 1 1 1 1 1 303.1681 *303.2045* 303.2045@5.511038 1 1 1147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1181 1131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.2045 *303.2048* 303.2048@4.902108 1 1 1 1 1 1 1 1 1 1 1 1 3901 3831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.2048 *303.2057* 303.2057@5.4322867 1 1 1 1 1 1 1 1 1 1 1 1 1129 1 1 1 1089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1371 1289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1510 1857 1 1 303.2057 *303.2235* 303.2235@5.917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.2235 *303.2425* C17 H29 N5 7815 7037 6607 8103 5485 7111 6478 7582 7591 7530 6356 1 8389 6661 6856 6744 5689 6494 7025 5365 7809 8181 6116 5851 6913 7215 6872 6920 7719 6904 7383 7237 6847 7475 6660 6091 7126 7904 8165 5844 6790 5298 5882 5619 7229 6792 6080 6334 1 6379 7516 5296 6488 7834 6537 6150 5821 4178 7947 6793 7761 6194 6927 1916 6647 5459 5914 6849 5450 5292 7344 6477 7498 6981 7999 6723 8203 7631 6047 7351 7784 6002 5763 7157 5313 6086 4035 7117 6096 5984 303.2425 *303.2426* 303.2426@12.47537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2221 1 1 1 303.2426 *303.2537* 303.2537@13.433473 1 1 1866 1 1 1 1 1 2174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3596 1 1 1 1 1 1 1 1 1 1 1 1 3175 1 1 1 1 1 1 1 1 1 2683 1 1 1 1 1 1 1 2753 1 1 1 1 1 3176 1 1 1 3071 1 1 1 303.2537 *303.2921* 303.2921@10.802137 1 10633 1 1 1 1 1 1 1 1 1 1312 1 1 1 10294 1 1 1 9534 1 10087 9705 1 1 1 1 1 9790 1 9226 1 1 9339 9275 9588 8360 1 1 10192 1 1 1 1 1 1 9423 1 1 1 8800 7588 1 1 1 1 2843 1 1 1 1 1 1 8160 1 8569 1 1 1 8091 1 1 1 8961 1 8533 1 1 1 7537 1 1 1 8433 7471 8267 1 1 1 7790 303.2921 *303.2928* C21 H37 N 10071 1 10179 10731 10335 10353 10327 9891 9946 10133 9458 8419 9987 10140 10043 1 10539 10228 10250 1 9785 1 1 9013 9605 10070 9361 10151 1 9740 1077 10131 10015 1 1 1 1 9427 9506 1 9845 9643 9574 9088 9569 9498 1 8415 8460 9016 1 1 8515 8047 8738 7929 5682 8151 7565 8225 8069 8234 7809 1 8971 1 8848 8258 8622 1 8130 8895 8106 1 8574 1 7648 8681 7937 1 8318 8489 8587 1 1 1 8777 8303 8030 1 303.2928 *304.0158* 304.0158@0.7700237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3069 1 1 1 1 1 1 1 1 1 1 1 304.0158 *304.0502* C16 H13 Cl O4 1007 1 1 1044 1120 1195 1369 1171 1381 1 1202 1242 1 1029 1 1 1233 1 1 1 1028 1 1103 1049 1024 1107 1 1 1 1 1263 1243 1 1 1067 1447 1137 1 1 1 1313 1018 1355 1364 1 1359 1374 1242 1945 1617 1 1064 1246 1145 1129 1214 1157 1277 1 1 1029 1335 1250 1441 1001 1 1 1 1153 1221 1 1 1429 1589 1195 1066 1 1 1058 1 1 1 1109 1066 1 1069 1008 1 1025 1 304.0502 *304.0771* 304.0771@1.1728734 1082 1 1 1 1 1 1 1 1667 1 1 1 1507 1469 1 1 1 1 1 1066 1 1 1 1 1 1 2993 3042 1 1 1 1 1 1 1 1 1 1 1575 1255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.0771 *304.0786* 304.0786@3.1271186 5201 1 1 1 1 4322 7337 1 4860 5234 1 6939 1 1 6228 6127 1 1 1 8148 1 1 1 1 2317 3068 5752 5358 1 4447 1 1 1 1 1 1 1 1 1 1 1 1 1 4955 5291 5197 1 1 1 1 6149 1 1 1 1 4178 1 3453 1 8790 1 1 6605 6079 1 1 1 1 5931 5325 7316 1 4964 4951 1 1 5684 1 1 1 1 7207 4296 4511 1 1 5758 1 1 1 304.0786 *304.0842* 304.0842@1.1759683 1 1 1 1 1 1 1 1 1 1172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.0842 *304.0888* 304.0888@1.8825252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 304.0888 *304.0902* 304.0902@1.5231485 1 1 1 1 1 1 1 1 1 1 1 1 1 1582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2487 1 1 2006 1 1 1 1 1 1 1 1 1 1 1 1 1292 1002 1 1 1 1 1884 1 1114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.0902 *304.0905* 304.0905@1.5212083 1 2093 1 1 1 1 2047 1 1 1 1 1 3549 3132 1 1 1 1 1 3302 1638 1 1 6380 1 1 1 1 1 2729 1 1439 1 1 1 1 2270 3014 4973 1 4493 1 2566 1 1 1 1236 4097 1 1831 1 3543 3013 2135 1 1 1 1 1925 1 1 1 2453 2131 1 1 1 1 2323 1 2328 1 1 1 1 1 2787 1 2393 5189 1 1 1 1 1 1895 1 1 2702 1706 304.0905 *304.0906* 304.0906@1.9170254 3239 2270 1 1 1 1 2039 1 1 1 1 1 4591 3650 1 1 1 2151 1783 2227 1 2614 3603 1 1 1 1 1 1 3268 1313 3746 1 1 1 1 1 1 3270 1 1457 1 1 1 1 1 1 3439 3483 3124 1 4344 1 3418 1 1 1 1 2505 1 3332 2574 1069 4264 1 1 2097 1 3533 1 4872 2865 1 1 1 1 3081 1 4270 1 1751 2730 1 1 1606 1 1 1 6342 3056 304.0906 *304.0968* 304.0968@0.9250314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1213 1281 1 1 1 1 1 1 1 1 1 1 304.0968 *304.1134* 304.1134@1.2626804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2733 1 1 1 1 1 1 1 1 1 1591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1561 1 1 1 1 1 1092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2152 304.1134 *304.1177* C17 H20 O3 S 1191 1 1 1 1 1 1308 1649 1623 1610 1412 1 1520 1 1248 1 1471 1427 1 1 1195 1 2373 1 1073 1 1 1 1340 1478 1 1570 1298 1 1538 1553 2220 2608 1 1 2024 2062 1 1 1672 1462 1535 1644 1795 1 1690 1658 2560 2323 1 1 1125 1 2005 2273 1443 1 1 1 1421 1 1222 1 1661 1919 1 1 1348 1029 1 1333 1415 1287 1 1 1713 1262 1 1 1894 1793 1 1 2294 1 304.1177 *304.1192* 304.1192@3.5283206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3961 3939 3375 2831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2194 2398 1 1 1 1 1 1 1 1 304.1192 *304.1215* 304.1215@0.8925172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1524 1640 304.1215 *304.1254* 304.1254@1.2500472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2192 2354 1 1 1 1 1 1 1 1 1 1 304.1254 *304.1499* 304.1499@4.05033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2203 1 1 1 1 1 1 1 1 5245 1 1 1444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2568 304.1499 *304.1505* 304.1505@4.914748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11019 2588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.1505 *304.1511* 304.1511@4.9474616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.1511 *304.1514* 304.1514@14.142829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.1514 *304.1687* 304.1687@5.0429554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1687 1588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.1687 *304.1883* 304.1883@9.379875 1 1 1969 1787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142302 144386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9230 9516 1 1 1 1 1 1 1 1 1 1 7996 8051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.1883 *304.2432* 304.2432@12.177136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1244 1 1 1 1 1 1 1 1 1 1 1174 1 1317 1 1 1 1 1 1 1 1 304.2432 *305.0654* 305.0654@3.1200492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1507 1325 1 1 1 1 1 1 1 1041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 305.0654 *305.0918* 305.0918@4.701256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1464 1440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 305.0918 *305.14* 305.14@5.3310485 1 1262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1681 1676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1492 1407 1 1 1 1 1 1 305.14 *305.1544* 305.1544@4.0081186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 305.1544 *305.1663* 305.1663@8.789651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 305.1663 *305.2046* 305.2046@0.91203094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1148 1607 1 1 1 1 1 1 1 1 1 1 305.2046 *305.2355* 305.2355@7.7092695 1 1 6057 6127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1129 1 1 1 1 1 1 1 1 1 1 1 1 1890 1777 1 1 1 1 1 1 1857 1630 1 1 1 1 2013 1378 1 1 1 1 3729 3292 1 1 1 1 1 1 1 1 1 1 9031 8549 1 1 1389 1037 1 1 1 1 1 1 1 1 305.2355 *305.2553* 4,12-dihydroxy-hexadecanoic acid 2683 1705 1977 1547 1 2114 1 1 1 1 1803 2111 1970 1636 1589 1 1614 1640 1545 1 1690 1514 1 1913 1619 1 2162 1491 1606 2030 1 1936 1266 2032 1417 1842 1 2041 1418 2156 1955 1421 1 1 2439 2247 1603 1 1 1389 1200 1834 1315 1 1 1 1 1979 1946 1 1708 1 1 1910 1525 1563 1531 1 1665 1722 1 1577 1284 1 1459 1 1 1 1 1 1419 1215 2268 1591 1 1 1549 1 1660 1573 305.2553 *305.2902* 305.2902@12.57362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1578 1 1 1 1 1 1018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1836 1 1 1 1 1 1 1254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1524 1 1 1 1 305.2902 *305.292* 305.292@13.372853 2437 2217 2405 2369 2736 2741 2545 2123 2528 2582 2307 2365 2390 2314 2756 2597 2487 2356 2845 2594 1923 1 2186 3071 2832 3885 3077 2723 1 2751 2033 1 3091 2558 1758 2539 1 2293 3539 1 2378 2121 2341 1 3396 2403 3221 3040 2682 2426 2782 2055 2089 2643 2245 2657 1065 2046 3008 2192 2093 1 2062 2150 3175 2552 2490 2081 2188 2301 1796 2172 2306 3278 2149 3953 1717 2197 2494 2458 1 2106 2035 2608 1810 2535 2136 2129 2769 2780 305.292 *305.2922* C13 H35 N7 O + 13.154491 1 2868 3425 2692 1 2859 4249 3196 1 3429 1 2289 1 2381 1 3545 1 1 1 3281 4027 3942 3333 3422 3679 2467 2692 2952 3586 1 1 3207 3184 1 3674 2862 2954 1 2915 4423 3230 2653 3382 1 2955 2717 1 1 2979 4715 4096 2180 3360 1 3244 1 1724 3052 1 1 1 1 1 2120 3199 1 2781 2954 1 2915 2995 3211 1 1 3277 3038 3691 1 2897 3117 2725 3012 2694 3477 1 2625 2872 2823 3405 1 305.2922 *305.2924* C13 H35 N7 O 6499 1 1 1 1 1 1 1 4099 4093 1 7351 1 1 1 2587 7905 1 1 7480 8773 6872 1 1 7058 1 1 2045 6528 1 1 1550 6707 1 4384 1 1 1 1 1 1 1 1 1 1 3038 1 6292 1 1 7916 1 7005 1 7478 6206 2369 1 6416 1 1 1 1044 1 7583 5536 2864 1 5774 1 1 1 1 6833 7420 1 1 1 1 1 5377 6233 1 1 6388 5573 5611 6654 1 7046 305.2924 *305.2926* 305.2926@12.706652 1 1 1 1 1 1 1846 1 1818 6790 5114 1 1 1 1 1954 1 1 1 1 1 1 1 4952 1 1 1 1 1 1 1 2126 6027 1 5931 1 1430 1 1 1 1 1 1359 5259 1788 1 1 1 1 1 1589 1 1 1 4048 1 1108 1 1 1 1 1 6501 6250 1 2064 1 1 1 1 1 1 1 1 1 1 1 3601 3864 1 1 1 1 1 5222 4409 1 1 1 1 305.2926 *305.293* 305.293@12.867112 1 1 7423 1 1 1 1 1 1 1 1 1 1 4566 4813 3439 1 1 1 1 1 1 1 1 1 1 1 1 1 7404 1 3580 1545 1 3909 3270 1 7761 5691 1 7677 6082 5093 7105 1621 1 1 1 1 1 1 1 1 1 1 1 1291 6664 1 1 1 1 1 5478 1 1 1 1 1 1 1 1 1 1 1 1 1 5923 1320 1 1 1 5842 1 1 1 1 1 1 1 305.293 *305.9503* C6 H9 Cl3 N4 O2 S 4684 4774 3762 4349 3987 4231 4046 4155 5003 4840 4891 4633 3632 4097 4769 3967 4485 4946 3931 3586 4295 4158 3653 3534 5112 4214 3754 3989 4300 4095 4362 3873 4707 4028 4197 4438 4390 4691 4308 3817 4320 4649 3778 3811 3374 3776 4250 4234 4104 4139 4049 4047 5324 4892 4324 4528 3393 3888 4901 4709 4789 5007 4347 4457 4532 4619 3920 4043 4142 4912 3659 4017 4536 4316 5076 4484 4429 4115 4148 4292 4248 4446 4131 4194 3693 4578 5942 5633 3914 4115 305.9503 *306.0365* C14 H10 O8 2317 2632 2745 2575 1784 1744 2172 2454 3422 3838 2739 3959 2491 2508 2769 2755 2715 1 2772 3766 2802 1 2075 2296 2141 2166 2293 2007 2921 3245 1951 2198 3725 2499 2788 2589 4831 4413 2487 3420 5661 3248 4247 3673 1696 2185 3307 2237 4011 3887 3042 3531 2416 3345 3486 3938 2351 3303 1 3636 3335 2859 2354 2381 1703 2040 2388 2022 3880 3608 1 2638 2187 2496 3176 2489 2378 2346 1 3431 2166 3004 2808 2477 2622 2958 3676 3465 1725 1303 306.0365 *306.0369* 306.0369@2.8863666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1688 1 1 1 1 1 1134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.0369 *306.1055* 306.1055@5.23077 1 1 1575578 1591096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.1055 *306.1141* 306.1141@3.1219635 1 1 1 1 1 1 1485 1516 1 1609 1 1 1 1 1 1 1762 1776 1412 1 1 1 1 1 1 1 1 1 1 1 1 1 2085 1906 1 1 1 1 2013 2268 1098 1008 1 1 1606 1532 1 1 1662 1536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1115 1627 1781 1 1 1016 1013 306.1141 *306.1566* 306.1566@3.3666708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1370 1132 1 1 1 1 1 1 1 1027 1072 1 1149 1 1579 1492 1100 1016 1093 1101 1 1 1 1 1345 1050 1 1 1 1 1318 1395 1 1 1 1 1309 1435 1065 1 1 1 1 1 1 1 1001 1 1 1 1 1 1 1 1 1 1 1098 1 1 1 1 1304 1103 1 1 1389 1446 306.1566 *306.2555* 306.2555@12.947968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1024 306.2555 *306.2728* 306.2728@12.871439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.2728 *306.2803* 306.2803@12.929217 1 1826 1 1 1 1 1 1 1165 1558 1232 1 1 1 1599 1 1 1 1 1 1 1 1 1 1 1 2262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2062 1 1 1 1 1 1 1 1 1 1379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.2803 *306.9096* 306.9096@5.2316656 1 1 1 1915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.9096 *306.9505* 306.9505@5.231874 1 1 2470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.9505 *307.0429* 307.0429@5.4681773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9696 8813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.0429 *307.0779* C17 H13 N3 O S 5354 5340 7416 6989 6277 6980 6030 6340 6888 7071 1 1 6021 4906 4620 4434 7856 7500 8685 8259 1 1 1 1 2225 2190 6874 6904 4189 3565 7154 7131 1 1 5490 5080 7417 7914 3722 4324 6626 6225 3036 3792 2509 2523 5211 5016 13261 1 7961 8127 7254 7343 3163 3334 3122 3149 4672 5036 1597 1686 5221 5124 2155 2244 1 1 4300 4882 8017 8186 3590 3458 4964 4217 3660 3327 7059 6741 6849 7014 3547 4276 10669 11152 5505 5299 3304 3171 307.0779 *307.0978* 307.0978@1.3406631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1846 1 1 1 1 1937 2271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.0978 *307.1442* 307.1442@4.9877415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1287 1166 1 1 1 1 307.1442 *307.1449* 307.1449@3.1095405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7640 2671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.1449 *307.145* 307.145@3.701824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3678 3983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2200 2076 1 1 1 1 1 1 2014 1662 1 1 1 1 1 1 1 1 1 1 1 1 3848 3944 1 1 1 1 307.145 *307.1454* 307.1454@3.4625525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1349 1583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.1454 *307.1455* 307.1455@3.1115398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3169 7226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.1455 *307.1515* 307.1515@3.3710852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.1515 *307.1686* 307.1686@5.8494687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9257 9274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.1686 *307.1983* 307.1983@7.823553 1 1 1 1 1 1 1 1 1 1 1 1128 1 1149 1 1 1 1 1 1 1 1 1 1 1 1 1671 1746 1 1 1 1 1 1 1 1 1 2024 1 1 1 1 1 1 1 1 1424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1287 1247 1 1 1 1 1 1 1 1149 1 2037 1 1 1 1374 1 1 1 1 1 1 307.1983 *307.2541* 307.2541@5.228666 1 1 1 6054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.2541 *307.2715* 307.2715@11.352759 2387 2320 2666 2310 1 2268 2327 2418 2385 2296 1 1794 2122 2250 2422 1942 1 1 2004 2315 2424 2461 2020 1 1849 1967 2018 2425 1834 1865 1780 2090 2167 2217 1798 1 2112 2317 1712 1840 2067 2317 2043 1741 1929 1968 1821 1789 1635 1701 1938 1663 1494 1784 1789 2000 1 1713 1715 2065 1760 1719 1505 1699 1743 1 2226 1504 1913 1796 1511 1737 1630 1 1709 1944 2164 1 1615 1661 1555 1315 1598 2193 1652 1 1 1701 1779 1 307.2715 *307.312* 307.312@5.228666 1 1 1 2398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.312 *307.7888* 307.7888@5.2326655 1 1 1 1083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.7888 *307.9476* C12 H5 Cl N2 O2 S2 3817 3675 3602 3589 3683 4110 3940 4053 3498 3517 3633 3727 3611 3660 3962 3635 3831 3641 3926 3944 3334 3845 3476 3554 3614 3883 3873 3287 3910 3900 3762 3774 3359 3770 3565 3730 3538 3457 3608 3460 3236 3579 3522 3840 3351 3274 3545 3418 3332 3601 3456 3305 3313 3482 3874 3453 3657 3356 3581 3455 3494 3450 3701 3521 4161 3793 3786 3661 3707 4064 3508 3609 3781 3736 3559 3558 3515 3900 3559 3354 3551 3474 3847 3201 3361 3323 3641 3576 4024 3943 307.9476 *307.9479* C12 H5 Cl N2 O2 S2 + 0.86988205 4636 4076 3350 3047 3582 3612 3818 3534 3927 4133 4701 4090 3595 3740 4113 3504 3761 3517 3314 3663 3987 3795 3225 3601 4579 3848 3504 3673 3680 3789 3380 3697 4159 3461 3631 3932 3827 3987 3566 3613 3920 4183 3534 3770 3640 3941 3818 3569 3314 3618 3831 3449 4670 4212 3719 4078 3792 3462 4203 3828 4025 4231 3946 3831 3816 3417 3325 3198 3907 3522 3220 3313 3735 4005 3565 4133 3362 3751 3186 3211 3483 3389 3588 3858 3437 3320 4370 5061 3845 3411 307.9479 *308.0406* C20 H8 N2 S 1465 1682 2480 2586 1 1 1313 1138 2798 2243 2880 3171 1639 1454 3474 3540 2373 2344 3725 3743 5166 5724 2364 2377 1885 1942 4620 5000 2043 1831 4936 4714 4104 3974 2832 1 2459 2424 2339 2662 2789 2271 2555 2368 2273 2201 2844 2642 3809 4725 3334 4355 2673 2730 1754 1 2458 2814 2159 1852 3281 2648 3917 3647 2684 2822 3031 2902 2508 2799 2211 2295 2253 2122 3863 3857 1466 1482 1 1348 2360 2280 2941 3293 4060 3660 3578 2928 1 1 308.0406 *308.0408* 308.0408@1.2540425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 308.0408 *308.076* 308.076@5.1297083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1893 2126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.076 *308.087* 308.087@3.7677052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10258 10000 1 1 1 1 1 1 1 1 308.087 *308.0953* 308.0953@1.2462002 1 1 1 1 1 1 1 1 1 1281 1 1 1 1 1 1 1 1 1 1670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1235 1 1 1 1 1 1 308.0953 *308.1044* Bifemelane (M4) 1 1 1 2036 1 1 3502 3508 1306 1 1 1 1 1 1 1 1224 1443 1708 1 1 1 1023 1 1003 1 1 1 1 1 1 1 2707 2065 1 1 2593 2797 1 1 1766 2800 1508 1282 3573 3485 1 1 1396 1218 1 1 1347 1636 1 1031 1 1 2132 1362 1690 2133 1 1 1 1 1 1 1023 1 3380 3598 1 1 1354 1541 1351 1475 1278 1482 1041 1 1242 1 1736 1573 1666 1574 1240 1273 308.1044 *308.1083* 308.1083@1.2405003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1037 1 1 1 1 1635 1474 1 1 1 1 1 1 1 1 1058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.1083 *308.1153* 308.1153@1.2369899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.1153 *308.1221* 308.1221@0.92899466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.1221 *308.1221* 308.1221@1.2310048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.1221 *308.1236* C11 H20 N2 O8 7056 7181 10614 14454 11486 15849 2598 2608 6522 7015 2886 3258 7611 7582 14377 12841 2966 3373 3059 3510 48033 41506 52429 56392 5215 4935 50886 37928 60998 61912 4354 4386 4652 4654 7649 7573 3206 3393 3558 3283 6353 6172 3831 3726 5656 5594 1996 2124 2418 2761 2874 2398 1401 1346 2278 2242 1074 1 3020 2730 1855 1799 1042 1263 1 1 1 1 1 1 1 1 1 1 6399 6226 1847 1989 1 1 2318 2405 1675 1543 1369 1 1 1 3564 3289 308.1236 *308.1294* 308.1294@0.8960049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.1294 *308.1372* 308.1372@3.5862298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 308.1372 *308.1456* 308.1456@4.1885557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.1456 *308.1995* 308.1995@10.952867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1478 1 1 1 1 1 5773 7490 1 1 1 1 1729 1 1 1 1 1 1 1 1 1318 1 1458 1 1 1 1 3760 3056 1 1 1 1583 1546 1 4127 4078 1 1 2586 2466 1 1 1 1 1 1 1 1171 1846 1363 1471 1781 1 1 1 1 1481 1 1 1 1 1 3940 3895 308.1995 *308.1999* C19 H24 N4 2738 1 2960 1 1 3213 1 1 2237 1 2568 2088 2542 2270 3003 2420 2270 2227 2141 2759 2618 1 2453 2198 2523 2940 2434 2476 1 1 1 1 1971 2407 1572 2017 1972 1 2588 1 2009 2100 1 2170 2540 1 1654 1 1 2804 2040 1 2749 1926 1 2919 2360 1 1 2249 1 1857 2470 2242 2593 1 2791 1 1 2364 1 2067 2229 2891 2027 1 2036 1 1 2458 1991 1 2156 1899 1923 2003 2162 1 1 1825 308.1999 *308.2005* 308.2005@10.597629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1445 1410 1 1 1 1 1 1 1 1 1 1 1 1 1 1127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1128 2457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1222 308.2005 *308.2062* 308.2062@6.046784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1276 1413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1367 1 1 1 1 1 1 1 1 1 1 308.2062 *308.216* 308.216@6.2325625 1019 1 1 1248 1 1 1 1 1 1 1 1 1753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1179 1 1 1 1 1 1 1 1 1 1 1 1 308.216 *308.2182* C11 H28 N6 O4 1 4560 1 4963 6059 4056 5586 5560 4793 4583 4541 1658 1763 4038 6510 3462 7320 4252 3562 2937 5578 3426 3586 3635 3926 5579 4815 3895 3381 4675 4812 4780 5388 4464 3106 4296 2967 3866 1 5570 5204 1 2627 1947 4227 1 2137 1 1728 1 2545 1 2915 3337 1 3613 1 1 1 2594 2549 1 3147 2513 1 4326 1 2966 1 1 1 1 1 1859 1 2701 1 1 4850 3953 1 2753 1 1 2613 1 1 4231 1 3652 308.2182 *308.2405* 308.2405@8.613328 2200 2227 1706 1 1 1886 1 1 1 1 1 1 1 1 1 1 1 1 1683 1 1670 1 1981 2183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1802 1 1 1 1 1 1543 1 1 1 1111 1 1 1 1 1416 1 1 1 1528 1 1 1 1590 1 1403 1 1 1 1 1451 1 1 1 1 1 1 1362 1 1384 1 1 1 1465 1396 1 1575 1543 308.2405 *309.1066* 309.1066@0.9265659 1 1 1 1 1 1 4818 5738 5131 1 1 1 1 1 1 1 1 1 7013 6997 1 1 1 1 1 1 1 1 1 1 1 6714 1 5671 1 1 1 1 1 1 1 6812 1 1 6802 6558 7197 1 1 1 1 1 10271 10846 1 1 3786 5216 7003 8359 1 8025 1 1 1 4436 1 1 5702 1 10663 1 1 3090 1 1 6027 1 1 1 6243 1 3792 1 1 10411 1 1 9289 1 309.1066 *309.1071* 309.1071@1.2282013 1 1 1452 1490 1 1 1 1 1 1 1 1 1018 1182 1174 1 1 1 1272 1119 1222 1 1 1 1664 2018 1762 1 1 1 1 1 1 1 1 1 1 1 1 1350 1 1 1834 2825 1 1 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1 1266 1 1 1 1 1 1 1 1 1 1 1454 1368 1657 1111 1198 1238 1 1 1 1 1 1081 1 1 2098 2604 1 1 309.1071 *309.1078* N-Acetyl-a-neuraminic acid 5662 3524 15534 5953 1 3569 10762 2450 11438 5311 10360 5539 4799 14041 3564 4437 6579 4866 15927 16349 1 4929 7140 1 7975 4537 1 1 1 1 9930 2719 19765 15113 5541 5563 15305 16113 9655 10237 10020 4182 4827 8572 14719 5270 2972 10205 12954 5377 5161 7826 1 1 13806 12937 10067 1 18504 3591 17429 1 11256 11648 6808 9707 3621 3703 1 6726 3865 14508 6203 7929 4758 7522 3355 10333 18165 34412 3898 10694 12886 7487 12597 1 6181 6482 6174 15567 HMDB00773 309.1078 *309.1155* 309.1155@0.9038835 1 1 1 1 7190 1 1 1 1 1 1 1 2989 1 1 1 1 1701 1 1 1 1 1 11778 1 1 1 1 1 1 1 1 1 1 2976 2928 1 1 1 1 1 1 3184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2668 1 1 1 1 1 2642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.1155 *309.1156* 309.1156@1.2294996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1518 1 1 1 1 1 1273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.1156 *309.1207* 309.1207@0.9005955 1 3445 1 1 1 1 1 1 1 2939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1578 1391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.1207 *309.1413* 309.1413@1.2445469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9572 9309 1 1 1 1 1 1 1 1 1 1 309.1413 *309.1542* 309.1542@1.1830438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1042 1 1 1 1 1 1 1 1 1 1 309.1542 *309.1942* 309.1942@6.5250688 1 1 1 1 1844 1 1 1 1 1 1 1 1 1 1 1 1 2079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1720 2020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1383 1 4603 2137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1600 1 2561 1 1 309.1942 *309.1945* Nadolol 1 1 1470 1320 3034 3033 1643 1546 1 1 1319 1063 1761 1734 1 1 4287 4894 4778 4853 1424 1379 1 1 1 1 2626 2534 1 1 1204 1 1816 2028 1 1 1 1101 1 1 1 1 1493 1868 2949 2633 1432 1407 1 1 1 1 1415 1618 1 1 1 1 1 1 1246 1479 1 1 2555 2493 7077 7476 1298 1 1474 1458 1 1160 2310 2684 1 1 1 1 1309 1534 1 1 3264 3441 4794 4374 1 1 C07249 309.1945 *309.2037* Carteolol 1877 2168 8997 8213 1807 1767 2282 2297 1721 1526 8786 8731 2612 2675 1180 1315 1 1 1722 1 1 1 1 1 1 1 4074 3771 1302 1048 1010 1059 1568 1 2367 2601 1 1 1279 1 1123 1470 1720 1750 9907 9256 1359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C06874 309.2037 *309.2189* 309.2189@10.943132 1 1 1 2467 1 1 1 1 1 1 4307 1 1 1 1 1 1 1 1 1 1 1 1 1 3247 1 1 1 1 1 5586 4051 1 1 1 3241 1 1 1 1 1 1 2669 1 1 1 1 2987 1 1 1 1 3539 2214 1 1 2411 1 1 1 5399 4989 1 1 1 3320 1 1 1 1 1 1 1 4998 3435 1 1 1 1 1 1 1 1 1 5442 1 1 2868 1 1 309.2189 *309.2276* 309.2276@14.1474 1 1 6286 1 1 1 1 1 1 1 1 1 3702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4165 1 1 1 1 1 1 1 4384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.2276 *309.2279* 309.2279@9.389094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.2279 *309.2281* 309.2281@10.13658 1 1 1 1 1 1 1 1 1 1 1 1 172657 1 1 3083 1 1 1 1 1 1 1 1 3999 1 1 1 1 1 1 1747 3180 1 7006 1 1 1 1 1 1 1 1552 2299 1 1 1 1 1155 1 1 1 1 1 1 1 9893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3677 1 1 1 1 1 1 1 1 1 1 1 1444 1 1 1 1 1 1 309.2281 *309.2283* 309.2283@13.076144 1 1 1 1 2381 1 1 1 1 1 1 1 1 1 1 1 1 2807 1 1 1 2654 1 2537 1 1 1 1 1 1 2681 1 1 1 1 1 1 1 1 1 1 2638 2789 1 1 1 3709 1 3324 1 1 1 1 1 2946 2839 1 1 3049 2399 3187 3306 2777 1 1 1 1 3002 2703 1 1 1 1 1 2931 2740 1 1 1 1 1 1 2569 1 1 1 1894 2063 1 1 309.2283 *309.2285* 309.2285@10.265706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.2285 *309.2288* C14 H27 N7 O 3420 4717 3567 1 5392 1 3928 4647 5265 5637 6063 5935 3910 4655 5846 5017 5112 5105 5290 1 7241 5772 1 7447 6478 5092 5849 5230 4948 1 6359 5566 1 5074 3993 6884 5285 1 3977 5492 4846 5680 1 6022 4276 1 4389 5031 4363 4853 5227 4301 5886 4780 4961 1 1 3952 1 1 6767 6460 7893 4335 5455 5466 5232 3742 4490 5067 4823 5391 1 6267 5069 3901 1 4872 3797 5703 4897 5492 6506 3525 5979 4640 4960 1 6457 4262 309.2288 *309.2289* 309.2289@11.39057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.2289 *309.2407* 309.2407@0.9530372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3858 4188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.2407 *309.3735* 309.3735@9.924589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1120 309.3735 *309.8946* 309.8946@0.8180144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.8946 *309.9019* 309.9019@0.81700855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.9019 *309.9673* C12 H7 Cl N2 O2 S2 1 1 1 1042 1 1 1 1090 1340 1 1 1 1 1 1155 1 1022 1 1 1 1 1039 1054 1317 1161 1168 1119 1008 1253 1054 1076 1132 1215 1127 1302 1897 1230 1576 1139 1086 1454 1090 1189 1 1381 1393 1226 1332 1927 1505 1350 1 3272 1128 1 2179 1277 1301 1697 1587 1133 1613 1560 1814 1210 1091 1 1357 1 1633 1238 1115 1 1177 1807 1212 1219 1606 1217 1 1549 1226 1447 1469 1923 1544 1429 1557 1 1575 309.9673 *309.9725* 309.9725@0.7792102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1217 1 1 1 1200 1 1 1 1 1 1 1035 1 1 1 1 1 1 1 1 1721 1 309.9725 *310.1086* 310.1086@0.91300666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1086 *310.1265* 310.1265@3.9495037 1 1 1 1 1 1 1 1 1 1 1 1 29736 31203 1 1 79619 77914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14660 12834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1265 *310.1481* 310.1481@6.735489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20863 20931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25754 25787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1481 *310.1575* avobenzone 31718 32621 34751 34221 35764 35480 35985 34553 33578 33120 34631 32970 37834 34990 31752 32273 35363 34888 34341 37131 31023 33972 35583 31915 34600 33315 35037 33203 33077 34304 34937 33765 32865 34779 33812 34412 33611 34607 34773 36670 33828 34319 34146 35097 33203 34557 28213 28745 31553 33254 33055 32461 31854 34596 31077 29937 26734 30881 30678 31884 29419 30641 31362 31348 29965 30870 33300 30112 28767 28768 28871 32010 30337 28480 28741 27913 30884 29974 29137 31847 15841 30385 30992 31476 28840 30180 28011 28560 28633 28408 310.1575 *310.1575* avobenzone + 13.0102 96378 59441 93766 106030 93229 96418 98363 107225 103552 99052 95192 106771 105449 98693 99384 97532 94106 64447 101945 93793 92326 101861 99474 108552 98330 94380 97099 95449 95519 93446 93632 94603 91861 86910 111277 99363 105469 98745 94754 106371 69253 89812 90608 105470 92173 96884 98682 90152 102312 96669 95823 87321 97361 93299 100256 102660 70559 85667 88384 86220 85720 94332 90502 92840 86880 89327 76257 90350 88648 86139 88678 87198 86243 86669 91454 89639 85100 92937 55710 91219 91506 86188 90021 88155 87961 83625 94588 86738 88219 84676 310.1575 *310.1581* 310.1581@13.143793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14032 1 1 1 1 4200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4237 1 1 3882 1 1 1 1 1 1 1 1 1 1 1 1 1 2895 1 1 1 1 1 1 1 1 1 23388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4511 1 1 1 1 1 1 1 1 310.1581 *310.1583* 310.1583@12.68686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12759 1 1 1 1 1 1 1 1 1 1 1 1070 1 1 1 1 1 1 1 1 1 16456 1 1033 1 1 1 1 1 1 1 1 1 310.1583 *310.1583* 310.1583@13.226562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3742 1 1 1 1 1 1 3259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1583 *310.1599* 310.1599@11.146564 2235 1 1 1 1 1 1 1006 1609 1 1 2372 1 1 3212 1 1 1 1 1 3354 1 1 1 1 1284 1 1 1 1 1 1 1 1 2529 1 1096 1 1 1 1 1134 1 1 2350 1 2811 1 1 1 1 1 1 1 1 1 2812 1 1 1 1 1 1 1 1 1 1 1 1383 1 1 1 1 1308 1 1 1 1 1490 1 4322 1 1 1 1 1 3084 1 1 1 310.1599 *310.16* 310.16@11.877701 1 1 1 1 1 1 1 1342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.16 *310.1611* C17 H26 O3 S 9003 1 1 10015 9748 8832 4786 7458 8326 8959 11690 11456 1 10905 1 8373 1 6661 5154 8251 8092 6401 9005 6890 9881 9284 11123 9227 8741 1 11429 9372 10240 7432 8997 10956 9956 7415 10188 8895 9301 9665 8924 9880 1 7858 10371 1 1 7707 8373 10810 11207 7247 1 7822 4425 8161 5127 4087 8618 6457 4425 10017 1 1 8065 8435 7904 1 7876 7045 9474 9208 6016 7015 10614 1 9533 8342 1 1 7599 5878 9493 7927 7394 6845 11523 7607 310.1611 *310.1611* 310.1611@1.2089269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1611 *310.1617* 310.1617@11.16845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1617 *310.1627* 310.1627@14.131943 1 1 1 1 1 1 3633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5560 1 2695 1 2188 1 1 1 1 1 1 5689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1627 *310.1653* 310.1653@12.071828 1 1 1 1 1 1 1 1521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1653 *310.1793* methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate 1 8022 10258 8665 9895 9437 9509 9999 9114 10456 9450 10165 9345 10360 1 1 9893 9031 9918 10251 9054 9620 9742 8542 1 9224 8463 9616 8695 9463 9071 8898 10815 1 9267 8717 9596 8422 10008 9929 1 1 9613 9513 9435 9237 8219 9048 9079 7860 8778 8823 9461 8854 7257 8827 8359 8279 8116 1 8066 8110 1 1 9089 9331 8926 7229 8947 9736 1 8288 8684 9045 8248 9296 9355 10243 8909 9833 8585 9420 9792 8555 1 7988 7801 8956 8337 1 310.1793 *310.1798* 310.1798@9.175431 10232 1 1 1 1 1 1 1 1 1 1 1 1 1 10297 9715 1 1 1 1 1 1 1 1 9789 1 1 1 1 1 1 1 1 9495 1 1 1 1 1 1 9397 9661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1312 1 1 8372 1 1 9508 8223 1 1 1 1798 1 1 10087 1 1 1 1 1 1 1 1 1 1 1 1 1 8982 1 1 1 1 8732 310.1798 *310.2078* 310.2078@12.020639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.2078 *310.2111* C14 H26 N6 O2 6233 5237 6579 6671 5243 7213 7987 6364 6230 6185 6998 6264 5578 6115 1 6859 7384 5799 5682 6908 6354 7034 7066 7941 6205 5294 6243 6668 6791 6307 6359 5520 6239 7262 5194 5145 3379 7336 5894 5978 6421 6823 6063 7002 7194 6027 6791 6424 6308 7144 6335 6285 7171 6371 6300 6766 5852 5104 7437 5963 5308 8739 6045 5773 6611 6712 6794 7447 5770 6915 6081 6011 7378 7458 6548 4754 1 7026 6183 5601 6971 6860 5210 5742 6021 6273 6521 6356 5988 6352 310.2111 *310.2183* 310.2183@14.780274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.2183 *310.2298* 310.2298@10.020279 1 1 1 1 1 1 1 1706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.2298 *310.2355* 310.2355@13.92436 1 1 1 1043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.2355 *310.242* 310.242@13.36925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.242 *310.2441* 310.2441@13.153066 1 1 1 4851 1 1 1 1 1 3250 1 1 1 1 1 1395 1 1 1 1 1 1 1 1 3110 2401 1 1 2676 1 1 1270 1 1284 1 1 2549 1 1369 2106 1 1 3206 2361 1 1980 6229 2417 1 2458 1 2469 2670 1 3625 2515 1651 2037 2147 2599 2141 3299 1 2946 3606 1 1999 2837 1163 2311 6341 1 1992 1 2265 1 2076 2266 2973 1 4469 2852 2158 1 1 1913 1 1884 1 2778 310.2441 *310.2471* 310.2471@13.161746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3239 1 1 1 1 1 1 1171 1 2154 1 1 2925 1 1461 1 1 1 3172 1 1 1 2176 1 1 1 1 1 3848 1 1838 1 1 1 1 1 1 1 1 1 1 1 1 1 1890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2540 1 1 310.2471 *311.1048* 311.1048@1.254333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1513 1977 1 1 1 1 3384 3049 1157 1120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.1048 *311.1128* 311.1128@1.2610482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1417 1 1 1 1 1 1 1 1 1 1 1 311.1128 *311.1157* 311.1157@1.0090168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6459 6201 1 1 1 1 311.1157 *311.1226* N2,N2-Dimethylguanosine 1 4841 1 1 1 1 8566 7927 1 6230 7208 7059 6090 1 7432 1 1 7201 1292 1205 1 4299 6043 5186 1 1 6811 7341 1 1 9793 9180 6271 1 5547 6356 8631 8718 1 9234 13201 12651 1 1 1 1 1 7742 5705 5587 6928 6481 1 8778 1 1 1 1 1 5305 1 1 1 1 6266 6493 8450 8050 6275 1 5744 6199 1 4426 1 1 6862 6597 4888 1 6367 6369 1 1 6634 7091 3489 1 1 5798 HMDB04824 311.1226 *311.1547* 311.1547@9.486588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1213 1231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1071 1049 1 1 311.1547 *311.1583* Gly Val His 2590 2603 2477 2564 2596 2763 2398 2715 2872 2377 2749 2457 2923 2458 2631 2379 3006 2493 2436 2393 2490 2141 2281 2384 2247 2324 2577 2652 2210 2278 2651 2484 1 1815 2134 2212 2253 2002 2039 1905 2562 2178 2373 2400 2952 3253 3366 3225 3541 3233 3562 3746 3795 3370 3193 3390 3460 2639 3453 3057 3197 2912 2703 3344 2791 3025 2626 2945 2976 2951 2932 2496 2691 2979 3255 2703 3020 3163 2759 3076 2797 3203 2647 2664 2952 3285 2771 2725 2501 2342 311.1583 *311.1614* 311.1614@12.995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.1614 *311.1615* 311.1615@13.0780115 4463 1 2916 1 6030 1 1 1 1 1 1 1 1 1 2946 1 3254 1 1 1 1 1 1 1 1 1 1 1 1 4954 1 1 1 1 1 1046 1 1 1 1 1 1 1 1 3573 1 1 1 3986 1 1 4666 4391 1 1 1 2702 3644 2860 3842 1 1 1 1 4166 2615 1 1 1 3223 1 1 1 1151 1 1 2877 1 1 1 1 1 1 1 1 6725 1 1 1 4073 311.1615 *311.1624* 311.1624@14.121824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1257 1 1 1 1 1 1 1 1 311.1624 *311.164* 311.164@11.073336 1 1 1 1648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.164 *311.1838* 311.1838@9.159416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1248 1 1 1 311.1838 *311.2072* 311.2072@12.024148 1 1 1 1 1122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.2072 *311.2082* 311.2082@9.78754 1 1 1 1 1 1 1288 1315 1 1307 1 1 1 1 1 1 1 1 1 1 1298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.2082 *311.2082* 311.2082@6.4686193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1744 2022 1 1 311.2082 *311.2436* 311.2436@11.419576 1 1854 1454 1078 1699 1 1472 1782 1247 1201 1315 1586 1 1 1 1 1 1 1536 1425 1542 1452 1395 1 1412 1 1163 1341 1 1 1 1261 1338 1414 1 1 1480 1463 1 1485 1 1 1432 1 1 1 1 1 1072 1 1282 1 1 1 1 1294 1082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.2436 *311.2452* 311.2452@11.418557 1446 1 1 1 1 1 1 1 1 1 1 1 1031 1 1 1 1525 1425 1 1 1 1 1 1613 1 1 1 1 1 1 1 1 1 1 1343 1 1 1 1 1 1 1283 1 1242 1140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1362 1 1 1 1 1 1 1 1 1 1 1 1 1130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.2452 *311.3544* 311.3544@13.251682 2902 1 2677 1277 2916 1 2282 2513 2472 1563 1 2296 2508 3163 2547 2445 1745 2197 2442 2784 2265 2483 1 2530 1 2947 3025 2104 2286 2631 2057 2665 2135 3243 2333 1787 1405 1 1648 2357 2245 2541 2574 2287 2681 2396 2049 1741 1 1 1242 2514 2062 2357 2588 2079 1782 2576 2852 1647 2314 1122 1 1186 2243 2652 2009 2521 2565 1 1984 1900 2547 2513 2593 2897 1 1841 1 1 1 1753 2517 2204 2594 1950 2709 2286 1 2575 311.3544 *311.3546* 311.3546@13.247075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1242 1 1 1 1 1 1 1 1 1046 1 1615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.3546 *311.7752* 311.7752@0.851244 15489 1 1 15925 1 1 14587 14583 15243 14963 14876 1 15769 16121 16386 15647 15398 14704 14940 14802 14821 15169 15537 16008 14861 15096 15722 14601 15326 15616 14952 1 15275 1 15033 15796 14671 15017 15997 15752 15166 14916 15896 15255 15606 1 1 13718 1 15636 14722 14164 15467 1 13895 14340 8705 14892 1 14431 13691 13777 1 14356 1 14402 15895 15082 15048 15099 15567 15968 14694 14148 15057 16142 15141 15024 15257 15318 14880 14846 16039 14934 14687 14115 1 14597 14786 14411 311.7752 *311.7759* 311.7759@0.8470063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15887 13708 1 1 1 1 1 1 14564 1 1 6351 1 1 1 1 1 14457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.7759 *312.0454* 312.0454@3.4069684 1 1 1 1 1 1 1276 1640 1375 1407 1 1 1 1 1021 1 1 1 1247 1282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1802 1955 1 1 1 1 1480 1215 1 1 1 1 1283 1328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.0454 *312.078* 312.078@3.865761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1134 1272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.078 *312.098* 312.098@4.9882417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4090 3423 1 1 1 1 312.098 *312.1368* BENZYLBUTYLPHTHALATE 15233 15592 14493 15313 14985 14654 14694 15210 15335 15423 13482 15345 14159 15674 15783 16215 14929 15781 14592 14847 15143 14573 14836 14746 14200 15052 15109 15030 13978 13671 14283 14910 14884 14504 15192 14214 14063 14332 14841 15530 14966 13537 14416 15140 13964 15264 14952 14988 14838 14018 14874 13895 14534 15263 13762 13261 13811 13423 13305 14356 14154 13739 13590 14195 13537 15009 12404 13072 14238 14044 13560 13872 13678 13266 13857 14648 13260 13259 13577 14038 13379 14599 13254 13446 13876 13624 13340 13531 13772 13125 C14211 312.1368 *312.1392* 312.1392@11.494336 1 1 1 1 1 1 1 1 1 1 1244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.1392 *312.1401* 312.1401@1.2400466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1142 1 1 1 1 1 1 1 1 1 1 312.1401 *312.1705* 312.1705@13.133565 1 1 1176 1 1 1 1495 1 1145 1303 1 1 1 1 1941 1 1766 1 1 1 1 1 1 1 1 1 1 1415 1 1 1 1 1 1 1 1 1 1 1859 1 1 1306 1 1 1 1 1 1 1 1 1 1 1 1900 1 1 1 1 1 1 1 1 1 1 1 1 1 1965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1388 1 1 312.1705 *312.1785* 312.1785@3.8252983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5326 1 1 1 1 1 1 1 1 1 1 1 312.1785 *312.1971* 312.1971@5.17559 1 1 1 1 1 1 1329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.1971 *312.2017* C11 H28 N4 O6 1101 1 1 1 1824 1730 1 1306 1206 1303 1335 1 1817 1906 1 1 1 1 1427 1512 1271 1090 1 1 1852 1933 1 1 1623 1039 2649 2910 1 1 1030 1073 1 1640 1748 1563 1255 1356 1835 1 2430 2274 1173 1511 1136 1 1 1 1169 1517 1 1 1 1 1 1 1399 1379 1 1 1317 1559 1 1 2171 1936 2179 1 1 1 1 1 2089 1949 1 1 1 1 1 1 1 1 1 1 1 1 312.2017 *312.2251* 312.2251@14.13907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.2251 *312.2396* 312.2396@7.2833185 1587 1 3302 3017 1 1 1645 1688 1 1 2738 2799 1414 1 1 1 1 1 1 1 1 1 1 1 1 1 1036 1 1 1 1 1 1 1 1536 1 1 1 1264 1 1792 1 1 1 5038 4446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.2396 *313.0776* 313.0776@0.9695538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 1425 1570 1 1 1 1 1 1194 1019 1 1 1 1 1 1 1272 1 1277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1565 1625 1 1 1 1 1 1 1 1 1 1 1 1 1454 1444 1 1 2311 1566 313.0776 *313.0789* 313.0789@1.2455919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1033 1 1 1 1 1 1091 1301 1031 1066 1223 1 1 1 1 1022 1 1 1 1079 1 1 1 1 1 1 1 1 1255 1 1 1 1 1 1 1 1 1 1 1 1 8111 7936 1 1 1 1 1 1 1080 1 1242 1515 313.0789 *313.0861* 313.0861@1.242414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1271 1253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1124 1182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313.0861 *313.0973* 313.0973@0.9350319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4079 3829 1 1 1 1 1 1 1 1 1 1 313.0973 *313.1129* 313.1129@1.2669919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1758 2104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313.1129 *313.1735* 313.1735@3.9636688 1 1 1 1 1 1 1 1 8431 1 1 1 1 1 1 1 1 1 1 11694 1 1 1 1 1 1 1 1 1 1 1 1 1 6958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8832 8617 9937 1 1 1 1 1 1 1 1 1 1 1 1 1 7894 1 7327 7594 10306 1 313.1735 *313.2098* 313.2098@4.6130004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1950 1828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1520 1402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2102 1670 1 1 1 1 1 1 1 1 1 1 313.2098 *313.2264* 313.2264@7.63675 1 1 1778 1626 1351 1325 1 1296 1 1 1 1 2364 1993 1797 1653 1229 1606 1634 2000 1 1 1 1 1 1 1390 1539 1 1 1073 1 1604 1813 1 1 1 1 1953 2192 1 1 2504 1933 1126 1 1 1 1 1 1 1 1 1175 1 1 1 1 1 1 1251 1361 1 1 1913 1671 1 1 1 1 1 1 1413 1464 1673 1411 1 1 1 1 1 1 1897 1695 1 1 1133 1181 1 1 313.2264 *313.2618* 313.2618@14.513857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313.2618 *313.2636* 313.2636@12.650888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313.2636 *313.9809* C22 H2 O S 1 1070 1 1156 1061 1152 1262 1 1305 1251 1030 1 1 1 1367 1057 1 1 1 1011 1 1082 1239 1429 1 1 1167 1080 1 1 1149 1 1 1 1140 1098 1190 1 1 1153 1 1036 1 1 1 1 1269 1199 1213 1123 1303 1274 1 1294 1 1 1 1 1 1567 1 1090 1026 1058 1077 1167 1 1 1 1 1436 1265 1 1142 1029 1094 1 1 1004 1151 1274 1 1060 1051 1 1066 1 1 1 1005 313.9809 *314.0599* 314.0599@3.6911972 1 1 1 1 1 1 1329 1067 1699 2038 1569 1278 6934 5770 1 1 1 1 1 1 1 1 2303 2303 1 1 1 1 1760 1871 1 1 1 1 1673 1349 1 1 1 1 2331 2267 1 1 1 1 1 1 1 1 1 1 4537 4696 1 1 1 1 1922 2042 1 1 1 1 2996 2493 1 1 1257 1346 1968 1991 3447 3469 3088 2898 3153 3299 2661 2584 1 1 1 1 1365 1878 1 1112 1 1 314.0599 *314.0602* ROFECOXIB 7809 8423 1 1 1790 2217 22385 22692 20894 19903 3996 3977 8486 7564 18313 17944 8589 9042 19060 18479 1011 1 6963 8087 5548 5780 17081 16264 3750 3919 22887 23801 4913 4816 4817 4718 18534 19048 13625 16033 41749 40313 1310 1225 1386 1337 29031 29248 2687 2920 11211 13150 37600 38038 1 1 1 1 4500 4266 2632 2608 1 1 4480 4266 6484 6346 16169 17133 5491 5243 7346 8130 4813 4707 20802 19390 4627 4390 12430 11190 1 1055 5086 4587 1771 1899 7303 7713 314.0602 *314.0968* 314.0968@0.9310317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5209 5687 1 1 1 1 1 1 1 1 1 1 314.0968 *314.1269* 314.1269@4.4403133 1 1 1129 1160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.1269 *314.1412* 314.1412@3.624233 1 1 34709 35477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8824 8905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.1412 *314.146* 314.146@1.2440469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8664 8298 1 1 1 1 1 1 1 1 1 1 314.146 *314.2458* 314.2458@10.15463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9185 1 1 1 4001 1 1 1 1 1 1 1 1 1 1 1 314.2458 *314.2462* 9,13-dihydroxy-11-octadecenoic acid 80392 83679 81936 82688 84222 82324 82297 78901 83096 78936 81513 86852 83271 80896 81804 81869 77238 70343 82180 86999 82754 84472 81370 78787 80433 84319 84557 79172 82931 84120 55192 79754 83572 78339 17889 78385 79345 74793 82823 81356 86765 79452 80067 83196 85463 86241 81746 79165 86404 84407 88006 81963 43610 80383 78911 87999 67129 85312 84111 80635 79590 79847 80297 87012 82465 79531 79975 82607 81023 80374 84822 83612 79122 79790 83058 89325 87469 80807 83270 81829 80434 79028 77002 77537 84798 76631 83349 80641 81355 76112 314.2462 *314.2468* 314.2468@13.473613 1 1 4595 1 1 5527 1 1 1 4561 6874 1 1 1 1 1 3525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5834 1 1 1 8200 1 1 3779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.2468 *314.2476* 314.2476@13.564473 1 1 1 1 1 1 1 2861 1 1 1 1 1 1 1 1 1 1 1 4497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3375 1 1 1 1 1 1 1 3096 1 1 1 1 1 1 3329 1 1 1 2361 1 1 1 1 1 1 1 1 1 1 1 2927 1 1 1 1 1 1 1067 2131 1 1 1 1 1 1 1 1 1 1 1 1 1 314.2476 *314.2551* 314.2551@7.371705 1858 1 1 1 1 1 1 1 1 1 2133 2047 1 1900 1 1 1 1 1 1891 1 1 1 1 1553 1 1 2090 1810 1712 1 1904 1 1 1820 1 1838 1 1735 1 1 1 1 1 1819 1 1 1 1 1 1 1629 1 1 1 1 1 1 1 1 1 1 3356 1 1 3015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1746 1 314.2551 *314.2881* 314.2881@9.848323 1 1 1 1073 1218 1 1 1 1 1189 1 1 1 1 1240 1 1 1 1274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1283 1185 1 1 1304 1 1 1 1 1 1 1 1 1029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.2881 *315.0759* 315.0759@3.4000509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1860 1 1 1 1 1 1 1 1 1 1 1 1303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.0759 *315.0815* 315.0815@3.4023771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1545 1 1 1 1 1 1 1127 1 315.0815 *315.0889* 315.0889@5.578206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4531 5164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.0889 *315.0936* 315.0936@3.398042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.0936 *315.103* C24 H13 N 1 2006 1 1396 1 2119 1 1404 1841 1 1487 1 1280 1426 1417 1 1485 1956 1 1 1995 1827 1755 1 1 1 1427 1556 1808 1 3832 2483 1 1093 1 2255 2373 2091 1 1200 1673 1 1 1 1511 1768 3115 2619 1 3603 3076 1 2542 1423 1 1455 2457 1 1 2931 5777 2650 4920 2873 1430 1 3027 4220 2552 1 2535 2494 1459 1571 2257 2421 2565 2672 1 1003 4987 2573 3254 1 2359 3565 3139 3813 1 3223 315.103 *315.104* 315.104@1.0819365 1 1 1 1 5757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2866 1 4863 1 1 1 1 1 1 5521 10028 1 5608 1 4058 1875 8229 1 1 1 2851 1 1 1 1 1 5887 1 1277 6044 1 1 1 7913 1 1 1 2903 1 1 1 3032 2953 2681 1 1 1 1 3765 2138 1 3401 1 1 5589 4060 4703 1813 1 1 1 1 1 2086 1 1 1 1 1 1 1 315.104 *315.1044* C9 H17 N9 S2 + 1.0146416 9035 10257 1 1 9081 10148 17414 6124 1 13309 1 5285 1 1 11273 14435 2997 14953 1 1 7908 9596 16042 16515 1 18242 1 1 11560 7897 10544 7776 1 1 1 7609 5604 5688 3036 1 1 5859 16693 14271 15154 10615 18630 17434 10386 9190 15012 17555 6816 1 16419 18826 9048 11236 6084 5334 7430 10921 1 1 11992 11543 5942 6149 5983 5109 4524 6549 20686 13597 7656 6555 1 1 1 1 1 7786 8862 1 1 3162 8907 4908 1 7383 315.1044 *315.1049* C9 H17 N9 S2 6415 6911 4001 5440 9495 8490 8496 9385 1 1 9777 7428 8876 7945 4890 4423 4659 4690 1 6681 6529 7882 3628 3264 6388 5269 1 1 4707 4742 4924 5947 5010 6050 5273 6825 3976 4530 1 1 7457 5365 4516 3982 6775 6076 9538 8269 4778 4372 4188 5802 5143 5020 5740 5033 6689 6517 6043 5947 4335 4964 3189 3096 3638 4212 4457 5699 2862 3095 5044 4391 10033 9305 4478 5635 4123 2835 11242 10492 3377 3881 4689 5017 3852 5654 2342 2257 7628 6328 315.1049 *315.1049* C8 H13 N9 O5 4572 6645 5769 9138 1 6488 1 9092 15528 8010 1 6757 7370 12031 1 1 10808 1 7665 6372 6452 1283 1 1 1 1 9295 8898 1181 1 1 1 5214 5060 13117 1 1 5973 5125 7105 3980 5551 1 1 1 1 1 1 1 7974 1 1 1 14585 1 1 3767 8559 1 9622 1 1 5464 5765 1 1 3194 3345 2361 1 1055 1 1 1 1 1 10357 9700 1 1 9019 1 5583 17836 8847 4921 1 3407 6940 1 315.1049 *315.1136* 315.1136@0.94449764 1 1 1 1 1 1 1 1 8827 1 1 1 1 1 1 1 1 1 7504 1 1 1 1 1 1 1 18410 17936 1 1 1 1 1 1 1 1 1 1 9582 10147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.1136 *315.1418* 315.1418@3.2932644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1605 1 1523 1513 1 1 1764 1942 1888 1923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.1418 *315.1691* 315.1691@3.9782338 1 1 1 1 2014 1960 1 1 1 1 1 1 1 1 1 1 1 1 1622 1765 1 1119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2292 2178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1323 1 1 315.1691 *315.1813* Pentazocine trans acid 55788 55401 53362 47409 52305 52170 52930 54360 56282 54316 53280 50565 54741 54666 51678 52032 51878 53439 51799 48667 54231 55937 50157 52318 51802 52123 50267 51944 52758 52081 47666 49100 53013 52975 49627 50925 51985 49648 51811 50687 50519 3198 49773 47403 45681 44691 53932 51955 53889 50618 53178 54272 54857 54607 51766 53110 51292 51182 54258 53629 51440 49408 51804 56090 44939 49937 53174 51005 50411 54035 50871 53819 49878 47962 52096 45857 49859 52181 53078 52241 58867 51143 49236 51467 52745 48016 50977 52301 52315 50058 315.1813 *315.1817* 315.1817@8.387418 1 1 1 1 1 1259 1 1 1 1 1 1 1 1 1 4499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49111 1330 1 1 1 1 1266 1 1 1 1 1 1 1 1 2385 1 1 1 1 1 1 1 1 1 1240 1 1 1 1 1 1 1251 1 1 1 1 1 1 1 1 4919 1 1 1 1 1 2078 1 315.1817 *315.1818* 315.1818@8.4563 1 1 1 1 1 1232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.1818 *315.1864* 315.1864@9.749972 1 1 1 3296 1 1 1 1 3559 1 4592 4387 2712 1 4262 1 1 3257 3756 1 4768 1 3633 3509 1 1 1 4433 4271 1 1 5951 1 1 1 4082 4383 3516 4498 1 4063 3665 1 1 1 1 1 1 1 1 1 2037 1 1 1 1 1 1 1 1873 1 1 1 1 1 1631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2135 1 1 1 1 1133 1 1 1 315.1864 *315.1866* 3-O-Methyldobutamine 12494 10261 11600 1033 4299 7224 12078 13064 8528 12475 6804 3562 6779 13177 8166 12557 11572 4617 6427 11328 1512 12516 3663 3507 11421 12735 3631 4829 8786 12142 4194 5784 10860 12767 13008 3755 4409 9079 5999 12849 5152 3036 12478 11974 11304 9807 3765 6524 2949 1 6649 3440 7090 5947 7161 2177 1503 2393 3715 1638 6191 6374 6574 6582 6374 4013 3343 6139 5834 6729 1 1256 7084 5229 6955 5735 1 1 7162 6794 2459 2680 6513 6840 1703 2220 2365 5568 8378 7292 315.1866 *315.1868* 3-O-Methyldobutamine + 9.681883 3724 3694 3775 9602 12544 3399 3265 3666 4048 3222 4955 8598 4137 4034 4053 3904 3707 6629 4599 3176 10458 3282 9057 8448 2758 3997 11419 5095 3658 4827 2907 6943 3547 3282 4749 9139 7881 3324 5828 4510 5686 9452 4196 3304 5067 4282 3245 2869 3178 1 1 4002 2259 2259 2558 1 1744 2312 1798 5007 1701 1 2831 2234 2074 3745 3989 1676 2458 2014 2176 5530 2389 2101 2164 2490 6769 6805 2053 1874 6819 3210 1 2284 6899 6617 4266 2144 1 2127 315.1868 *315.1883* 315.1883@3.8118331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1112 1 1 1 1 1 1 1 1 1 1 1 1166 1 1 1 1 1 1 1 1 1 1 1 1 1375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1264 1 315.1883 *315.1886* 315.1886@3.7838798 3944 2948 3810 3236 3728 3652 3988 4566 3342 4064 4950 4181 3516 3137 3455 2788 3632 3145 5869 5879 3270 3157 3254 3557 4609 5101 6045 6743 3963 4606 5790 6060 3663 3559 3379 3445 4186 4013 3780 1 3887 3734 4186 2274 3963 3329 2735 1944 2546 2001 2302 2620 2974 3148 2003 1523 2098 2650 2460 1 4946 4492 3481 4161 3551 3482 2571 2281 6915 8620 1 3835 2321 2659 2373 2377 2676 2523 3815 3925 2351 2321 2715 2260 1457 2956 2361 2486 1380 1 315.1886 *315.204* 315.204@4.111331 4390 4687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22795 22367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4410 4507 6308 6414 3853 3743 13914 14581 1823 2204 2216 2041 2734 2867 6477 6615 4860 4364 2034 1905 2210 2798 2395 2231 6620 6382 4756 4551 4176 4446 315.204 *315.2047* 315.2047@4.416645 2761 2532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5885 5430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12198 11693 14280 13978 8047 8616 24063 24327 11452 11412 9388 9024 5932 5832 11799 11849 14330 14158 5648 4862 8245 8986 5114 4789 14674 14321 11680 11574 12810 11787 315.2047 *315.2156* Leu Leu Ala 1 1 1174 1502 1397 1 4802 4051 1204 1089 1005 1261 1413 1193 1126 1 1376 1549 1709 1657 1110 1304 1618 1582 1 1 1 1 1 1147 1130 1192 1502 1582 1267 1276 4117 3773 1995 2005 1291 1553 1801 1592 1 1310 1760 1762 1 1 1688 2091 2833 2267 1444 1442 1 1 2103 2525 1310 1437 1395 1220 1220 1204 1 1 1648 1610 1885 1666 1020 1339 1221 1 1050 1115 1758 1745 1 1485 1632 1404 2233 2130 1 1 1881 1867 315.2156 *315.2397* 315.2397@8.199173 1 1 1165 1 1 1 1032 1 1 1 1 1 1494 1027 1426 1575 1335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1620 1610 1 1 1 1 1178 1 1 1 1426 1369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1090 1 1 1 1 1 1 1814 1552 1 1 1 1 1 1 1 1 1 1 1 1 1063 1 1 1 315.2397 *315.2419* 315.2419@11.185517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2219 1 2206 1 1 1 1 1 1 315.2419 *315.2515* 315.2515@13.459596 1 1 1 1 1 1 1903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3891 4634 1 1 1 1 1 1 1 1 1 1 1 1 1 3087 1 1 1 1 4657 1 1 1 1 1 1 1 1 1 1 1 1 1 1470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3568 315.2515 *315.275* C14 H33 N7 O 2944 1 1 2806 2985 2653 1353 3222 2836 1186 3007 3448 2842 3283 2916 3217 2935 2815 2774 1 2860 2655 2983 2261 3224 2803 3489 2803 1 3050 2652 2717 2486 3032 1 1 2246 2941 3247 1 2852 1 2782 2487 2775 2780 1 2557 2226 1 2210 1997 1 2533 2850 1 1 2454 2270 2996 2337 2750 2600 2185 2322 1 1 2544 2275 2303 1 2662 2858 1 1 2000 1 1 1 2475 2666 1 2293 2036 2792 2221 2282 2306 1 2270 315.275 *315.2763* 315.2763@12.351623 1 1 1 1 1 2602 1 1 1 4086 1 1 4332 2563 1 1 1 1 2899 1 1 4527 1 1 1 1 1 4458 1 5060 1 4668 4538 4857 1 1 1 2601 1 1 4111 1 1 2196 1 1 1 1 1 1 1 1 1 1 1 2434 2099 1 1 4330 1 1 4049 1 1 1 1 1 1 1 3539 1 1 4219 1793 1 4136 4099 4240 1 1 1 1 1 1 2192 2383 1 1 1 315.2763 *315.2763* 315.2763@12.549373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.2763 *315.9493* 315.9493@0.8010387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1148 1269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1020 1 1 1 1 1 1 1241 1 1 1 1 315.9493 *315.9791* C21 O4 1938 1709 1437 1299 1694 1517 1 1285 1586 1464 1781 1789 1517 1 1420 1848 1536 1663 1 1319 1569 1509 1492 1723 1514 1556 1560 1187 1734 1610 1 1546 1622 1887 1 1524 1784 1584 1205 1314 1619 1655 1480 1295 1438 1447 1803 1623 1632 1526 1778 1443 1973 1957 1887 1537 1 1429 1279 1577 1857 1870 1798 1665 1339 1363 1042 1209 1550 1825 1590 1238 1855 1416 1846 1540 1561 1376 1 1701 1301 1438 1428 1535 1610 1553 1991 2293 1419 1 315.9791 *316.0841* 316.0841@5.2049637 1 1 1 1 1141 1 1 1265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.0841 *316.0852* 316.0852@5.5450716 1 1 1 1 1364 1594 1 1255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1018 1098 1 1 1 1 1 1 1 1 1929 1589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.0852 *316.0936* 316.0936@0.97100675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.0936 *316.1018* 316.1018@0.9721607 1 1 1 1 1 1 2344 2032 1 1 1 1 1 1 2010 1 2478 1512 1850 2104 1 1 1 1 1505 1 1 1 1 1 1 1 2088 1 3016 1 1 1702 2019 1 1 1 1 1 2272 1597 1849 1 1 2835 1 1 1 2319 1 1 1 1 2340 1 1 1 1 1757 1 1 1 1 1 1 1 1745 1 1 1 1 1 1 1 1 1748 1858 1 2175 1 1 1 1 1537 2272 316.1018 *316.107* 316.107@0.9681482 1476 1 1 1 1 1 1 1 1 2848 1 1 2314 2822 1 1 1 1 1 1 2102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.107 *316.1078* C14 H24 N2 S3 5513 5562 4392 4949 4797 4414 4305 4102 5662 1402 1274 3969 1660 5400 4043 4368 1213 5553 4283 4604 3986 1683 5196 4166 4344 5188 3502 3713 1506 1250 4269 3813 3578 3960 5259 1970 4006 4688 1298 3819 5091 3883 3629 3384 3851 3607 3689 3766 4427 4251 3400 3585 4633 3887 4646 2785 3413 3429 3257 1059 4223 3219 3019 4469 4146 3408 4229 3055 3591 4461 3528 3203 4456 4744 1161 3234 1070 3361 4119 4084 3221 3204 3314 4617 2666 3219 3823 4744 3067 4378 316.1078 *316.1089* C21 H16 O3 1254 1110 1511 1 1250 1 1160 1406 1 4807 4262 1 4215 1 1433 1224 4579 1 1431 1323 1 4147 1 1230 1 1 1709 1146 3775 4119 1120 1373 1469 1316 1 3712 1 1082 3968 1621 1 1212 1274 1 1346 1224 1 1118 1 1 1 1 1 1 1 1 1 1 1049 3612 1 1 1 1 1 1167 1 1055 1124 1 1039 1 1 1 3427 1135 3100 1210 1 1 1310 1 1162 1 1 1 1135 1 1 1 316.1089 *316.1415* 316.1415@6.250368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5285 5028 1 1 1 1 316.1415 *316.1653* 316.1653@8.977069 1 1 1 1 1 5702 1 1 1 1 1 1 1 1 1 5203 1 1 4534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4322 1 1 4467 1 1 2709 1 3405 1 1 1 1 1 1 1 1 1 1 1 1062 1 4475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2885 3819 4202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.1653 *316.1666* Gibberellin A9 4795 5255 5353 5355 4930 1 5391 4449 3660 5006 4000 4356 5044 4440 4029 1 4114 4811 1 4241 4514 4480 4918 4186 4405 4913 4469 4126 4538 4156 4892 4702 4433 5058 4400 4733 1 4465 4571 1 4630 4187 1 4177 1 4346 4566 4652 4550 4223 4428 4806 4768 5287 4303 4858 3501 4000 1 4414 4523 4395 4515 4122 4161 4550 3700 4358 4105 3940 3033 3656 4043 1 1 1 2959 4210 4062 4156 4111 4086 3892 3525 3413 3520 4090 3448 4042 4153 C11863 316.1666 *316.1703* 316.1703@9.78606 1 1 1604 1 1 1 3642 3361 3418 3104 1 1 2155 1 2109 2286 1 2293 1 1 2924 2987 1998 1 1456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.1703 *316.1739* 316.1739@9.782447 1 1 1 1982 1870 2256 1 1 1 1 1 1 1 2354 1 1 2658 1 2081 1726 1 1 1 1777 1 1545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.1739 *316.1782* 316.1782@14.13473 1 1 1 1 1 1 1 1 1 1003 1 1 1 1 1 1 1 1033 1385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.1782 *316.1842* 316.1842@8.298758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.1842 *316.1853* 316.1853@9.591897 1 2634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2016 1 1 1669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.1853 *316.1869* 316.1869@11.120945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.1869 *316.2012* 12-oxo-9-octadecynoic acid 1124 1531 1659 1 1382 1811 1818 1937 1322 1753 1406 1718 1857 1435 1714 1459 1517 1854 1902 1864 1649 1365 1 1668 1626 1690 1637 1639 1845 1778 1717 1484 2033 1787 1504 1394 1788 1782 1740 1565 1549 1659 1486 1693 1 1439 1168 1533 1250 1 1 1464 1 1 1 1425 1 1156 1362 1235 1504 1483 1 1530 1018 1506 1 1 1382 1 1 1 1365 1442 1221 1304 1 1410 1 1206 1 1 1 1119 1 1263 1076 1286 1671 1 316.2012 *317.0724* 317.0724@5.4804945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3769 3967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 317.0724 *317.1173* 317.1173@0.9430313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1253 1 1 1 1 1 1 1 1 1 1 1 317.1173 *317.1434* 317.1434@3.0226817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1477 1421 1 1 1 1 1 1 1 1 1 1 317.1434 *317.1492* 317.1492@1.2280462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1450 1 1 1 1 1 1 1 1 1 1 1 317.1492 *317.1603* 317.1603@1.2229671 1 1 1 2514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 317.1603 *317.1684* C18 H24 Cl N3 1135 1398 1782 1 1 1066 1117 1126 1085 1 1007 1 1139 1021 1245 1202 2141 2253 1484 1806 1401 1439 1 1 1 1 1094 1006 1 1 1323 1618 1076 1051 1 1 2623 2018 1450 1723 1374 1192 1411 1201 1328 1264 1212 1456 1139 1297 1 1156 1639 1820 1 1 1 1 1249 1272 1708 2215 1794 1442 1079 1 1 1 1267 1280 1605 1426 1066 1 1510 1349 1749 1723 1 1 1085 1026 1540 1606 1487 1581 1338 1171 1489 1475 317.1684 *317.1839* C19 H27 N O S 1 1 1569 1392 3375 3343 1310 1534 1 1 1 1 1 1 1263 1620 1481 1228 2221 2284 1049 1029 1 1 1 1 1878 1 1 1 2159 2384 2739 2255 1782 1636 1 1 1578 1393 1 1 1 1 1 1 1 1 1916 1784 1 1010 1 1 1 1 1 1 1 1 1 1105 1441 1 1743 1341 3525 2914 1 1 1298 1230 1 1 1142 1325 1 1 1 1 1 1 1 1 1 1048 2644 3083 1 1394 317.1839 *317.1841* 317.1841@9.443514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1905 1529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1115 1 1 1 3771 3863 317.1841 *317.185* 317.185@9.414883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3494 1 317.185 *317.1897* 317.1897@5.2895994 1 1 9690 10363 1 1 1 1 1 1 1 1 1 1 1 2811 1 1 1 1 1 1 1 1 5979 1 11060 12709 1 1 8810 9309 1 1 1 1 1 1 1 1 1 4169 1 1 1 7272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7908 7444 6849 7037 1 1 1 1 6685 1 1 6996 1 1 1 1 1 1 1 1 1 1 317.1897 *317.2203* 317.2203@7.9820223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5485 5652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1199 1248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 317.2203 *317.2614* 317.2614@12.308184 1 1 1 2082 1 1466 1884 1217 1423 1806 1257 2035 1656 1828 1619 1704 1539 2013 2055 1771 1794 1472 1966 1520 1 1 1 1 1709 1492 1577 1 1336 1277 1377 1635 1618 1471 1581 1515 1 1 1578 1775 1 1219 1573 1732 1548 1 1 1423 1270 1 1661 1668 1423 1171 1256 1517 1670 1 1751 1840 1707 1808 1693 1805 1674 1713 1554 1807 1700 1 1527 1703 1669 1529 2106 1738 1 1768 1213 1525 1361 1392 1646 1723 1888 1684 317.2614 *317.2643* 317.2643@12.132345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1244 1 1 1211 1 1 1 1 1 1 1 1 1 1 1 1339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 317.2643 *317.2681* 317.2681@12.309368 1703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 317.2681 *317.2804* 317.2804@12.161184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 317.2804 *317.2891* 317.2891@12.154916 1 1 1 1 1 1 1 1 1 1 1 1 1289 1 1455 1 1 1 1 1 1 1 1 1 1258 1 1 1312 1 1 1 1 1 1 1334 1 1 1 1 1 1181 1 1129 1 1 1 1 1 1 1 1 1 1618 1 1 1 1 1 1 1 1 1 1 1 1 1039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1026 1 1 1 1 1 1 1 1 1 317.2891 *317.9293* 317.9293@0.7945776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1363 1 1601 1 1 1 1 1 1 1 1 1 1 1283 1 1487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1452 1 1 1 1 1 1 1 1 1 1 1 1 1 1301 1 1 1411 1 1 1 1 1 1 1 1 1 1 1 1 317.9293 *317.9629* C11 H8 Cl2 N2 O3 S 42041 41690 39335 39158 51756 53179 52095 52191 43645 43451 40669 43812 43174 43659 42691 43174 45787 44428 39857 38602 44308 44414 43184 42200 43506 44076 44443 44069 41981 42609 46479 46314 37486 38022 47142 47148 40943 41202 42022 41019 41867 40867 45017 44467 45640 45319 51203 52496 45447 45929 45125 46030 32795 45745 40438 41088 38729 44208 44923 44114 43643 43396 37899 37390 42855 42235 45469 45234 39331 38591 40351 38765 51781 51862 42256 39848 40572 39609 36987 38772 40048 41439 48064 45982 36415 36834 37096 37480 46183 45672 317.9629 *317.9632* 317.9632@0.90400684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16143 1 1 1 5125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 317.9632 *318.1203* 318.1203@3.082955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5248 5753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.1203 *318.1276* 318.1276@3.2791078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.1276 *318.152* 318.152@1.2410468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1510 1 1 1 1 1 1 1 1 1 1 318.152 *318.2151* 318.2151@14.639524 1 1 1 1 1 1 1660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.2151 *318.277* C18 H38 O4 21337 22138 22879 25295 24284 21818 25227 23904 21341 24104 21153 23692 21921 4078 23369 22894 22967 22556 21736 22433 20585 22066 6172 23688 22702 22642 23280 21459 20874 19930 21403 23261 20587 2886 21350 20481 19838 3452 22385 19414 21788 19518 22690 24122 22415 3611 19780 19263 18469 2883 19472 2882 20387 19735 22223 19700 18708 20606 20290 21656 2503 19855 20419 20723 18041 22270 20776 4729 20308 20820 20893 21734 19800 20313 21036 20481 20482 20132 2866 16894 4590 2662 18042 19345 19968 17644 21417 3129 18008 19766 318.277 *319.0896* 1-Methylguanosine 3129 3901 4154 4575 3724 3675 5742 6538 4237 3738 5833 1 5747 4985 4243 4570 5408 5271 6783 6765 4637 4639 5854 5676 2693 2825 4115 3879 3770 3657 6079 6045 5447 5887 6148 5907 1 7402 6815 7514 8781 1 4298 4779 4092 3925 6772 6340 5327 5072 5310 6099 6649 6185 3172 3907 2946 2851 7703 7152 5580 5051 4408 3776 6526 6624 4813 4219 4708 4849 7236 7397 4010 4630 5242 5394 5744 4725 5762 6003 5377 5060 3959 3961 1 6065 3777 3546 5436 6273 HMDB01563 C04545 319.0896 *319.1237* 319.1237@1.1831065 1 1 1 1 1 1444 1 1240 1 1 1 1 1 1 1 1 1 1529 1 1 1 1 1 1 1850 1622 1 1 1 1 1211 1 1 1 1040 1 1 1 1 1 1 1 1525 1 1 1 1 1689 1 1 1 1 1303 1429 1286 1 1 1 1 1 1575 1516 1 1 1295 1257 1 1 1127 1201 1 1 3634 1 1 1 1 1 1 1 1 1 1 1 1 1 2129 1984 1 1 319.1237 *319.1239* C17 H21 N O3 S 1194 1099 2201 1906 2749 2420 4931 3673 1394 1493 2303 2455 1013 1 2182 1483 1450 1618 1122 1350 2300 2387 1 1 3404 2873 2723 2596 1356 1202 2299 2322 1 1 1973 1679 1463 1782 1873 1839 1558 1991 1 1 1016 1364 2046 2237 1 1130 1264 1255 1398 1407 2702 1313 1573 2022 1554 2206 3058 2418 1037 1 1192 1692 1512 1841 1105 1067 2249 2196 4163 4017 2295 2435 1583 1755 5371 5365 1 1247 2737 2055 1589 1751 1462 1365 1550 1602 319.1239 *319.1247* 319.1247@1.1903465 1 1 1 1 1480 1 1018 1 1 1 1467 1360 1 1 1 1 1211 1 1 1 1 1212 1 1 1 1 1087 1 1 1 1 1219 1 1 1 1290 1 1 1 1 1 1 1 1711 1 1 1334 1 1 1 1058 1 1 1 1 1091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3170 1 1 1316 1565 2453 2018 1 1 1 1 1 1 1 1 1 1 319.1247 *319.1621* C14 H25 N O7 1332 1545 3185 3090 1 2526 3595 1962 3378 3324 2693 2365 1725 3140 2810 2535 3428 3404 4373 4533 2787 2237 3383 3538 1 1 1528 1751 1 1 3675 3943 3961 3552 1363 2376 4984 5412 4278 4147 3826 3955 2403 3054 4283 4239 4107 2599 1958 1697 1173 1510 2177 3148 1 1 1 1 4547 2499 1 3334 3516 3531 2335 2278 1200 1 2892 3083 5270 2763 1 1155 2542 2641 3030 3085 3666 3425 3288 1 1548 2330 2225 3872 1362 2307 2587 2701 319.1621 *319.1647* 319.1647@6.0741253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 319.1647 *319.1922* 319.1922@5.1702347 1 1 1 1 1 1 1 1 1 1 1 1 1006 1 1 1 3425 3134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 319.1922 *319.2285* 319.2285@6.376321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1372 1518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 319.2285 *319.2488* C16 H29 N7 1 9684 1 12444 9603 1 10091 1 1 1 1 9156 9263 8940 1 1 9590 1 8988 5214 1 1 9850 1 1 1 8921 1 1 1 7170 1214 10699 1605 1 6779 8205 1 8454 8608 8547 1 6023 1648 1 6842 10406 5593 1 1 1 1 1 9300 9782 5949 5480 8013 1 8161 9524 1 5667 1 1 6300 1 1 1 6194 1 1 8135 1 1 1 1 7382 1 6485 7497 1 10072 1 7987 1 10108 5690 6417 7893 319.2488 *319.3084* 319.3084@13.955265 1 1 1 1 1 1 1 1 1 1 5244 1 4187 1 1 1 1 1 1 1 5271 1 1 5087 5232 5067 1 1 1 1 1 1 1 1 1 1 1 3975 1 1 1 1 5724 5552 1 1 5748 1 1 1 1 5558 1 1 1 1 1 5874 1 1 1 1 1 1 1 1 1 1 1 1 5158 1 1 1 1 1 1 1 5196 1 1 1 1 1 5098 4889 1 1 1 1 319.3084 *320.0263* 320.0263@0.9052414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1178 1 1 1 1 1 1 1 1 1 1 1 1 1 1731 1 1 1 2277 1 1 1 1 1 1 1 1498 1 1 1 1 1 1 1 1 1 1 1 1859 1 1011 1 1 1 1 1 1 1934 1630 1 2392 3261 1 1 1 1 1882 1 1 1548 1337 1 1 1 1 1 1 1 1 1 1 1 1 1 320.0263 *320.0389* 320.0389@0.912514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2077 1492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.0389 *320.0527* Dihydromyricetin 3066 3276 3247 3438 2433 2665 3630 4386 3289 3357 4898 5091 3490 4264 5083 4810 4998 5087 5176 5527 5284 5081 4649 5343 2363 2528 3662 3287 2827 2740 5362 5266 5034 5528 5165 5742 4749 5698 4257 4864 5380 5702 3971 3329 3432 3337 4634 4050 6652 6678 4117 4135 4599 4584 3115 3403 2666 2473 5925 4949 4423 5195 3892 4046 6148 6708 7220 6475 3799 3483 4529 5047 2573 3193 5189 5196 3445 3430 4895 4519 4981 4763 3500 3404 6580 7570 4158 3764 4204 5191 C02906 320.0527 *320.0607* 320.0607@0.91920424 1 1 1 1 1 1 1 2025 1 1 1 1 1 1 1 1 1 1 1 1 1 1792 1 1 1 1 1 1 1 1 1 1 1 3126 1 1 1 1 1 1 1 1 1 1 2922 2725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.0607 *320.069* 320.069@0.91994256 4797 5715 2552 2388 2604 1 1719 1 5575 6577 5299 1 6812 6427 1 1 1 1 4964 4785 1476 1 1 1 1 1 15395 11839 1 1 1 1 1 1 1 1 1 1 8191 7634 3561 1 1 1 1 1 2708 2951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.069 *320.0787* 320.0787@0.95301247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.0787 *320.0856* C23 H12 O2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4307 4536 5078 5580 1 1 3920 4053 1 1 1 1 1 1 3024 2839 1 1 1 1 1 1 1 1 1 1 1 1 5527 5944 3865 4183 5601 5443 2330 3361 6222 5852 2767 2729 2872 2801 2653 2518 1 1 2369 1413 2284 2822 2764 2535 1 1 3396 3545 1 2806 5468 5411 6340 7038 7052 6516 3297 3639 6857 6747 320.0856 *320.1233* MYCOPHENOLIC ACID + 4.000977 1225 1257 1459 1557 1473 1367 1413 1233 1182 1300 1374 1268 1389 1 1357 1163 1584 1684 1700 1238 1059 1 1307 1142 1297 1267 1203 1526 1727 1218 1464 1288 1495 1209 1203 1354 1348 1074 1440 1512 1469 1606 1306 1404 1193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.1233 *320.1234* 320.1234@5.869949 1 1 1 1 1 1 1 1108 1 1 1 14540 1 1 1 2243 6383 1 1 1 1 1 1 1 1 1 1 11643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12168 1 1 1 1 5162 1 1 1 1 1 1 1 1 1 1 7459 1218 26060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.1234 *320.1238* MYCOPHENOLIC ACID + 5.6754255 2118 2536 4195 3896 16094 4482 4473 3467 3528 4477 3952 4487 3878 1 5746 8398 4154 7249 7702 7146 33673 6295 6086 5285 8234 10056 6328 7802 5701 1 10788 45110 1 13458 8449 5307 6883 7318 6794 6938 1 11289 4724 6686 10452 9688 7074 7017 5801 1 9346 11610 1 50602 8000 9910 12072 1007 22436 13204 9152 13094 6541 10788 49940 11213 9951 47395 37349 1 11467 12978 9068 9127 9281 9480 14798 13780 15006 1 1 13534 1 1051 33220 9899 9567 12549 1 10321 320.1238 *320.1238* MYCOPHENOLIC ACID + 5.9322114 2913 1095 1 3653 3686 1 3598 4632 4340 3032 5918 4023 1 3789 8385 1085 4916 1 5138 1136 7748 7451 7892 6060 1244 5618 7889 8251 4937 6259 1 12402 8536 12423 5736 8320 4800 3023 9264 13009 7090 4529 5198 5045 7285 1 7466 9845 5091 5078 11420 8793 8069 10060 13588 1123 4462 11211 14465 11194 8910 9067 11350 5072 8060 8998 1 12078 12771 8437 1 14631 6105 6009 13031 7429 9520 9583 7937 8738 9149 8336 10928 13067 11949 10938 6018 6302 11013 20176 320.1238 *320.124* 320.124@6.0130887 1 1 1 2975 2722 3128 1 2209 1 1 3786 5644 2911 3032 5767 4173 7369 4780 1699 8157 1 1 5813 1 8936 2286 1 1033 1 1 9809 8938 1 9607 1 5252 1 1 5785 5692 1 1776 1290 3032 1 1 1 7696 1 1 1894 1 2474 1 2593 1 1903 2516 1 1 1553 1 2047 1 1 1 1 8386 1 1 1 1002 1 10798 5937 12496 1 1 1 1 1 1 1 1 7047 6991 1 1 1 1 320.124 *320.1245* MYCOPHENOLIC ACID 1 1 1002 1315 1 1 1 1 1 1 1 1 1 1 1 1093 1 1 1 1570 1467 1359 1131 1103 1990 1620 1905 1678 1025 1140 1897 1951 2442 2534 1407 1284 1148 1007 1175 1 1797 1876 1 1 1664 1375 1565 1571 1282 1273 1983 1806 2492 2236 2261 2635 2537 2468 2389 2958 1931 2018 1629 1529 2166 2067 2118 1958 2128 2206 2490 1 1451 1401 2037 1928 2206 2178 2218 2230 2760 2069 2343 2726 1588 1767 1612 1651 2538 2726 320.1245 *320.154* 320.154@1.2440469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1143 1186 1 1 1 1 1 1 1 1 1 1 320.154 *320.2307* 320.2307@12.044264 1 1 1472 1 1 1 1 1 1 1 1 1 1 2265 1 1 1 1 1884 1 1 1 2122 1 1638 1300 1574 1 1 2253 1 1 1 1 6485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1027 1 1 1 1 1 1 1 1 1 1 1 1317 1 1 1784 1 1 1 1 3478 1 1890 1 1 1 1 1 1 1 1 320.2307 *320.2316* 320.2316@12.179634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3733 1 1 1 1 1 1 1 1 1 2381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2760 1 1 1 1 1 1 1 1 1 2292 1 1 1 1 1 320.2316 *320.2316* 320.2316@14.783395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1077 1 1 1 1 1 1 1 1 1 1 1 1 1 320.2316 *320.2317* C16 H36 N2 S2 2324 1 3507 1 2618 1 1 1 1 1 1 1 1 1723 1445 1 1 2466 1852 1941 1 1 2715 3724 1007 3809 2356 2994 1 2111 1 1762 3563 1576 2360 2958 1 1 1145 1 1 1375 2353 2284 1 1 2699 1380 1930 2639 2007 1 1 1 6220 1 1605 2455 1 1954 2107 1 1 1 1 1422 1 2092 2157 1 1 1964 1 2286 2134 1 1 1 1 1169 1615 3171 1875 3166 1240 1 1689 1 1 1 320.2317 *321.127* 321.127@5.674663 1 1 1 1 1 1 1 1 1 1 1 2222 1 1 1 1 1 1 1 1515 1375 1 1 1 1 1 1669 1 1 1190 1 1253 1 1 1 1445 1 1086 1701 1 1 1 1 1 1 1 1596 1 1 1 1 1 1 1 1 1 1 1 1 1 1589 1373 1 1 1910 1 1 1 1 1 2476 1 1 1 1 1 1 1 1 1684 1 1 1 1 1 1 1 1 1 1 321.127 *321.1272* 321.1272@5.7312007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1531 1 1 1 1 1 1 1 1 1003 1 1 1 1 1 1 1 1794 1503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2333 1 1 1 1 1 1 1 1 1 1 1 2421 1 1 1 1 1 1785 1 1 1 1 321.1272 *321.1404* 321.1404@0.91068697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3135 3454 1 1 1 1 1 1 1 1 1 1 321.1404 *321.2147* 321.2147@9.391382 1 1 9425 9529 1 1 1 1 1 1 1 1503 1 1 1 1 1 1 1 1 1 1 1 1 1 1686 1 1 1 1 1774 1868 1 1 1 1 5426 5277 1 1 1 1 6186 6113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 321.2147 *321.2646* 321.2646@12.830597 1 1 1 1 1 1 1 1 1 1 1 1 1195 1 1 1 1 1 1 1 1 1320 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1367 1056 1 1143 1 1 1 1 1256 1 1 1 1086 1 1 1 1 1 1063 1 1 1 1 1 1268 1 1 1085 1 1 1 1 1 1287 1 1 1069 1 1 1 1 1 321.2646 *321.2757* 321.2757@12.054898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1085 1 1 1 1 1 1 1 1 1 1 1 1 1 2024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1637 1 321.2757 *321.2821* 321.2821@12.062313 2051 2364 2539 2457 2533 2381 1875 1983 2315 2151 2419 2330 2665 2423 2337 1 2116 2336 2394 2354 2494 2169 2345 1707 2322 2192 2258 1959 2089 2343 2244 2472 2241 1932 2051 2353 1485 1702 2434 1858 1808 1155 2238 2386 2237 1933 1401 1952 1723 1882 2016 1755 2126 2156 2101 1 1674 1556 2128 1634 1912 1868 1879 1967 1916 2007 1453 2124 1895 1831 1850 1914 1 1649 1 1909 1712 1632 1984 2015 1280 2041 1753 2005 1610 1853 1777 1977 1 2025 321.2821 *321.8042* C5 Cl2 O4 S4 10579 10870 12014 10398 10834 10123 10410 9485 10140 10364 10256 10461 10555 10495 10919 11037 11185 10946 9747 11109 10069 11709 10608 10602 10176 10001 10613 11288 10351 10513 10093 10193 10643 10640 11120 10938 10601 10961 11652 9958 9823 10372 11385 10460 10019 10499 10240 10631 11443 11495 10584 11830 10456 11017 9598 9897 10586 10037 10371 10227 9900 10090 10050 11037 10561 10216 10248 10491 10159 10458 10863 10272 10672 10139 11726 10233 10145 10099 10379 11376 10033 10015 11181 11028 11168 10369 10278 10146 9936 10641 321.8042 *321.9582* 321.9582@0.88499063 1 1 1 1 1 1 1 1 1 1 2301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 321.9582 *321.9603* C15 H8 Cl2 O2 S 1 1 1251 1132 1246 1318 1 1144 1185 1 1 1147 1176 1 1210 1262 1469 1 1413 1 1142 1040 1221 1 1 1173 1353 1237 1088 1031 1 1129 1 1 1 1283 1160 1110 1007 1272 1 1 1287 1305 1379 1 1055 1 1 1 1232 1 1 1139 1 1016 1097 1325 1 1204 1248 1 1 1065 1185 1205 1131 1 1 1146 1 1 1047 1 1 1 1 1040 1132 1061 1198 1 1 1 1020 1 1 1 1 1 321.9603 *322.0247* 322.0247@0.8960296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.0247 *322.0552* 322.0552@6.1698136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1407 1443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.0552 *322.114* 322.114@3.0215373 1 1 1 1 1 1 1437 1413 1626 1594 1322 1 1597 1655 1 1 1943 1728 1351 1585 1 1 1554 1277 1 1 1 1234 1 1 1108 1257 1251 1498 1 1 2246 2101 1 1 1 1 1380 1626 1 1363 1532 1131 1382 1473 1 1 1464 1 1 1 1 1 1317 1352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.114 *322.1579* C21 H22 O3 4367 5208 7928 5048 4094 4135 1521 2589 4669 2682 2271 6669 5138 7980 6224 1 2575 2365 2252 6132 3002 5400 2676 4437 5839 3567 7195 2505 2525 5758 3009 5798 5335 5453 3169 2021 4526 2179 4822 2663 2897 4985 5741 2483 2319 4529 5616 2314 2423 4184 4340 5009 7008 1925 2195 5807 3566 6008 4558 5545 7317 6368 6383 2523 4640 2554 4694 7461 2579 3386 4685 1475 6415 2918 1 5549 4603 5344 2416 2860 5164 4329 5660 4969 3793 2828 2726 6079 3575 1 322.1579 *322.1587* 322.1587@13.7863 1 1 1 1 1 1706 3841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.1587 *322.1591* C18 H26 O3 S 3052 3533 1 3117 3408 2761 3087 4864 1 5302 5013 2589 3379 1 2081 8261 4641 5997 4807 2523 6041 1 5227 1 2423 5260 1 4303 1 2437 5403 3082 2727 2180 4721 6457 3089 5652 2456 5479 5999 2526 1 4873 5001 1 1 4988 5404 1 3260 2529 1 5730 4222 1 1415 2532 1 2172 1 1 1 4711 3171 4863 2096 1 3372 1 3669 2012 1 5262 4161 1892 3226 2666 4548 2963 2900 2464 2024 3113 2427 3674 4659 1 3036 3369 322.1591 *322.1707* 322.1707@0.8856651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1848 1390 1 1 1 1 1 1 1049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.1707 *322.2331* 322.2331@12.074977 1 1 1 1 1 1 1481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.2331 *323.0515* WY-14643 1270 1570 1 1559 1455 1358 1375 1681 1653 1569 2424 2154 1589 1535 1334 1207 2227 2274 2025 2183 4416 4002 3438 3257 1 1 2086 2100 1140 1215 2063 1977 3313 2746 1207 1422 1658 1858 1076 1074 1578 1710 1 1 1 1 1422 1 3492 3628 1763 2230 1993 1873 1 1 1 1 1344 1455 1 1 1190 1505 1 1 2523 2667 1181 1232 1943 2234 1192 1 1356 1204 1 1 1483 1543 2135 1767 1 1083 3006 3189 1273 1448 1 1 C15617 323.0515 *323.1454* 323.1454@1.249047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2288 1 1 1 1 1 1 1 1 1 1 323.1454 *323.1706* 323.1706@6.247512 1813 1 1 1 1 1295 1 1 1 1 1 1 1 1 1 1 1 1 2988 1 1 2995 2971 1 1 1 1 1 1 1 1 1965 1 1 1 1 1529 1 1 2385 1 1913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 323.1706 *323.2088* 323.2088@8.597276 1 1 5373 5234 1 1 1 1 1 1 1944 2310 1 1 1232 1 1 1 1 1 1 1 1 1 1 1 1577 1072 1 1 1035 1 1 1 1847 2032 1848 1652 1 1 1 1 5455 4706 2220 2239 1 1 1 1 1 1 1034 1 1317 1133 2065 2088 3319 3264 1 1 1 1 3917 3908 1 1 1 1 1101 1364 1 1 1 1 1299 1 1 1 1 1 1 1 1 1 1 1 1 1 323.2088 *323.2672* 323.2672@10.19471 1 1 3976 3988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13122 13212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1489 1778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 323.2672 *323.8015* 323.8015@0.8406041 13351 13095 14355 13753 13594 13362 12922 13372 13760 13977 13621 13081 13136 13910 14463 15122 14163 14651 13197 14264 13378 14867 14870 13974 12955 13132 14905 13048 13347 13507 13292 13957 13511 13779 13652 14496 13865 14047 13872 12644 13635 13596 13812 15021 13621 13715 13062 13056 15146 14502 13735 14894 14208 13826 12379 12584 13243 13347 14271 14312 12379 12725 12963 12901 13136 13019 13048 13509 13499 13308 13114 13515 13326 13892 13072 13690 14354 13393 13211 12923 13032 13003 14476 13785 12536 14195 12884 13179 12592 13077 323.8015 *324.0621* 324.0621@3.7642047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2462 2707 1 1 1 1 1 1 1 1 324.0621 *324.0674* 324.0674@0.9255315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1341 1440 1 1 1 1 1 1 1 1 1 1 324.0674 *324.1642* 324.1642@6.912224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.1642 *324.1643* 324.1643@6.8449984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79284 81318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182252 182853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.1643 *324.1846* 324.1846@5.21093 1 1 1 1 1 1 5027 5496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.1846 *324.2273* methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate 2517 1974 2351 2464 2651 2499 1 2045 2551 2477 2620 2224 3379 2479 1 2363 2798 2111 2398 2345 2137 1935 2160 2493 1974 2352 2468 2186 2457 2061 2074 2314 1911 2257 1720 1838 2059 2063 1975 2293 1851 1989 1971 1 2025 2584 3549 2290 1 2190 2202 2161 2162 2538 2210 2376 2673 2485 1 2181 2097 3683 1979 2371 2136 3296 1 2268 2572 2041 2303 2614 2456 2014 2063 1928 2188 2316 2238 2178 2109 2146 2087 2121 2854 2056 2197 2128 1651 2386 324.2273 *324.2411* 324.2411@6.9575543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2291 1 1 1 1563 1 1 1 1 1 1 1 1 1485 1 1 1 4236 1535 1 1 2343 2140 4998 1 1 1 1 1 10254 9978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1800 1 1 1 1 1 1 324.2411 *324.2567* 324.2567@3.5951133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4575 1 324.2567 *324.2632* 324.2632@13.959705 1 1 4211 1 1 1 1 2013 1 1 4310 1 5160 1 1 1 1 1 1 1 1 1 1 1 4524 3415 1 1 4649 4403 1 1 1 1 1 1 1 1 1 1 4724 1 1 1 1 1 4970 1 1 1 1 1 1 1 1 1 1 4654 1 1 1 1 1 1 1 1 1 1 5071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4856 1 1 1 1 1 324.2632 *324.3253* 324.3253@3.5852299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2524 324.3253 *325.089* C8 H16 Cl N7 O5 1681 1 1568 1706 1692 1 1725 1667 1 2172 1271 1 2166 2256 1552 1568 1485 1551 1 2409 1713 1 1 1302 1108 1334 1 1373 1147 1401 2339 2109 2076 1973 2111 1 1 1 1 2304 1 1 2356 2242 1 2265 2098 1 1529 1395 2155 2331 2501 1 1125 1274 1 1487 1 2124 2488 2271 2170 1947 1581 1545 1 1173 1864 1806 2373 2425 1690 1 2410 2575 2495 2396 1 1 1 1704 2328 2127 2403 2301 2369 2444 1 1 325.089 *325.0927* 325.0927@1.2466936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1244 1 1 1 1 1 1047 1 1 1 1 1 1 1 1 1 1 325.0927 *325.1296* 325.1296@5.850944 1 1 1 1 1394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.1296 *325.1393* 325.1393@3.1993027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1054 1 1 1 1199 1125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.1393 *325.1914* C18 H23 N5 O 2248 2159 2464 2039 1910 1792 1713 1467 2031 1809 1930 1527 1784 1637 1743 1572 1792 1703 1750 1594 1675 1364 1511 1546 1801 1635 1685 1905 1722 1299 1609 1482 1525 1498 1410 1399 2085 1749 1438 1213 1757 1509 1667 1672 1493 1 1 1187 1 1101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1057 1 1 1 1 1 1 1 1 1 1088 1 1 1 1 1 1 1 1 1 1 325.1914 *325.1994* 325.1994@5.4673166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.1994 *325.2021* Leu Pro Pro 27247 24665 32058 29803 33037 30616 1 1 32264 1 32270 31202 29824 27566 28529 1 23362 30937 29027 24431 22042 31749 1 29768 1 26667 6122 1 29438 1 1 30135 30211 1 27334 27865 1 30367 1 30432 21851 1 28714 15339 1 26870 28487 1 27347 7243 28192 15955 27081 17214 28250 25985 18937 1 1 26827 1 1 1 23308 1 30639 1 21931 1 1 22650 1 1 1 1 30470 27275 25881 1 1 1 23741 22363 1 1 28204 27087 1 24027 25670 325.2021 *325.2022* Norpropoxyphene 1 6395 1 1 1 1 31132 32693 1 28954 1 1 1 1 1 29692 4837 1 1 1 9654 1 28913 1 26812 1 25240 28641 1 30329 29567 1 1 29496 1 1 27037 1 31441 1 6672 30383 1 13876 26588 1 1 29228 1 23445 1 11280 1 13346 1 1 4652 20520 27967 1 24225 24502 28935 1 28814 1 27505 1 25238 27131 1 27898 26702 31515 28209 1 1 1 28652 22365 28894 5879 1 27985 30987 1 1 26058 1 1 325.2022 *325.203* 1-Pyrrolidinepropanol, a-(4-hydroxycyclohexyl)-a-phenyl-, trans- 2179 3735 2472 2117 2959 1913 3449 3302 2855 1842 1828 1963 2015 2318 3682 1785 1971 1881 1932 2668 4321 2072 1368 2166 2144 2087 1825 2059 2008 1840 2030 3840 1927 2916 1975 2861 2344 2028 2243 3695 1846 2114 1497 2043 3497 1857 2254 3051 2209 2240 3071 1865 2481 2450 2629 2165 2141 2533 1735 1970 2428 1 1690 3303 3028 2812 2606 2116 2249 3354 1742 1924 3336 1875 3417 2527 2870 1836 1819 1500 1582 1805 2755 3088 2697 2222 2615 2775 2642 1513 325.203 *325.203* 325.203@10.056345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3860 1 1 1 1 1 1 1 1 1 1 1 1 1835 1 4584 1 1 1 1576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2095 1 1 1 1 1 1 4000 1 1 1 7679 1 1 1 1 1 1 1 1 1 1 1 7891 1 1 1 1 1 1 1 1 3415 1 325.203 *325.2462* 325.2462@6.276132 1276 1 1 1 1 1 1 1 1 1 1 1 1 1038 1 2396 1 1 1 1 1 2254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1855 1 1 1 1 1 1 1 1 1 1 1476 1 1 1 1533 1763 1624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2467 1 1 1 1 1 1 1 1 1 1 325.2462 *325.2554* 325.2554@12.186994 1 1429 1 3619 1 1 1 1 3003 3680 2842 3486 3254 3276 1 1 1 1 1 1 3374 1 1 1 1 1 3396 1 3726 1 1 3374 3384 1 1 1 1 1 3475 1 4353 1 1 1 4334 1 3377 1 3173 3603 2349 1 3492 1 1 2424 1392 2783 3831 1 1 3063 1 2341 2267 1 4251 2791 3033 1 1 1 1 3097 3351 1 1888 3094 1 1 1 1 1 1 2695 2621 1 1 2785 3292 325.2554 *325.2569* 325.2569@12.187326 2482 2164 1 1 2624 2980 1344 3638 1 1 1 1 1 1 3741 1 3813 3925 3591 3434 1 1 3505 3206 3569 3653 1 3666 1 3200 3497 1 1 2663 1 3013 3306 3488 1 1 1 3908 4100 3656 1 2350 1 3672 1 1 1 3110 1 3222 3596 1 1384 1 1 3295 2522 1 2412 1 1 1 1 1 1 3678 1829 2360 3026 1 1 2503 1 1 3357 3226 2317 3247 2217 1043 1 1 2967 3858 1 1 325.2569 *325.2955* 325.2955@13.063997 3052 1 2911 1 1 1 1 1 1 1 1 1 1 1 3139 1 1251 1132 2554 1 3220 1112 1 1 1 1288 2949 1 1 1 2383 1 3357 1 1 1091 1 1 3129 1 2437 1 2591 1 1 3018 1 3026 1 3524 1863 1 1 2331 1 1 1 1 1 1 1 2756 1 1 1 2381 1 1 1 1 1 1 1 2623 1 1 1 2370 2586 1 1 2974 1237 1 1 1 1 1 1 1 325.2955 *325.2966* N-(2-hydroxyethyl)oleamide 1646 1785 2103 2551 1982 2060 2130 2092 1871 1907 2290 2054 1910 2263 2257 2005 1873 1908 2066 1821 2271 1 2054 2121 1 2081 1778 1859 1 1923 1830 1793 1 1840 2149 1845 2049 2229 1949 2588 2021 1785 2357 1660 2678 2064 2252 1738 1811 1974 1716 2140 1593 2396 1862 1560 2170 1933 1899 1683 1576 2062 1745 1865 1560 1680 1559 1491 1547 1681 1844 1767 1711 1771 2014 1919 2394 1577 1771 1555 1601 1313 1 1764 1384 2412 1709 1707 1798 2082 325.2966 *325.3705* C22 H47 N 1 1251 1243 1355 1573 1966 1536 1484 1643 1774 1491 1497 1672 1917 1437 1587 1639 1484 1720 1457 1425 1 1673 1421 1656 1633 1373 1642 1602 1844 1701 1359 1839 1705 1702 1649 1450 1254 1682 1743 1646 1281 1652 1948 1532 1786 1709 1503 1332 1363 1761 1449 1983 1970 1581 1685 1 1836 1651 1553 1662 1694 1776 1 1852 1767 1715 1715 1671 1504 2111 1775 1585 1776 2188 1442 2206 2121 1787 1492 1 1970 1753 1733 1938 1403 1914 1526 1553 1419 325.3705 *325.7982* C8 Cl2 S5 6301 6820 6456 5969 6064 6563 6204 6104 10431 6663 6464 6592 6807 6677 8171 7534 6540 6395 6233 10736 6123 6376 7083 6659 6436 6391 6447 6628 6574 7107 6668 6596 7266 6620 6292 7109 7121 10944 6906 6111 6027 6220 7057 7337 5926 6366 6439 6239 7081 6456 6391 6402 6559 6480 6532 6215 6617 6713 7611 6916 6371 5685 6517 6368 7009 5708 6262 6558 6229 6392 5917 6283 6038 6581 6780 6481 6081 6405 6412 6113 6261 6584 7050 6483 7373 6184 6386 6368 6380 6404 325.7982 *325.926* 325.926@0.88352966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1189 1231 1 1 1 1 1 1 1 1 1 1 325.926 *325.9383* 325.9383@0.7770042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1007 1 1 1 1 1061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1214 1145 1 1 1 1 325.9383 *325.946* 325.946@0.77600837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.946 *326* 326.0@9.242567 1 1 1 1 1 1 1 1 1 1 1 1 2064 1 16725 1 1 7601 1 1 2130 1 1 1 1 1 1 1 1 1 1 1 1 1 1988 1 2029 1 1 1 1 1 1 1 7213 2489 1 1 1744 1 1 1 1 1 1 1 1 2160 1 1 1 1 1 4939 1 1 1 1 1 1 1492 1 1 1 1 2457 1 1 4558 1 1 1 1 2065 1 1 1 6117 1305 1 326 *326.0009* C8 H17 Cl3 N2 O3 S 8905 18237 6124 6579 6940 6773 8504 8153 8265 9015 4529 8279 6023 6123 2633 19177 8298 2062 8533 8860 6724 15969 9450 6633 6410 7727 9772 15408 20579 9462 9257 17603 6500 13424 6494 8717 6860 8495 8307 6958 8596 6680 8189 8122 2714 13378 8387 7990 6914 6504 7232 8758 8688 7723 7840 6440 4229 6247 17361 9438 6752 7464 10330 1529 5644 8102 5434 7037 6453 5488 5317 5596 6612 7035 8028 5818 6525 7489 1801 6192 5739 7456 6982 5493 5892 6892 5625 1499 6585 7810 326.0009 *326.0108* C9 H10 O13 4933 5461 3930 3795 4130 4282 5698 6686 6257 4736 6146 5907 3859 4292 5021 5012 5330 5754 4803 4906 4248 3847 3529 2986 5733 6037 3147 2756 5618 5106 4154 3680 4687 5099 4542 4408 6119 6631 3448 3506 5350 4157 4735 4445 4631 4163 7791 7382 6075 5000 6422 7037 6379 7065 6547 6666 1 4573 4546 5087 7874 8634 5666 6205 4832 5088 1 3929 4066 1 3435 3302 5197 4115 1 3807 4712 4162 4333 3969 4090 4182 4396 4589 5019 4885 5880 5751 5226 4451 326.0108 *326.0421* C17 H10 O7 1 2879 1 3418 3649 4140 3536 4324 3462 3916 3856 4773 3490 3346 1 2844 3824 4414 3481 3400 2902 3084 3291 3951 3706 3576 3745 3758 2736 1 3326 3066 2788 2658 2904 3087 2925 2896 3293 2752 1 4333 5228 4510 4111 4418 4493 3965 3629 3332 3028 3309 3715 2899 3052 3576 3597 3726 2546 2660 3987 3393 3980 3298 3030 2749 2621 2365 3630 3907 1 2273 4487 5079 2777 2894 1 2987 3055 2674 1 3091 2547 2190 3361 2964 2881 2607 2739 3397 326.0421 *326.0705* C20 H10 N2 O3 3717 3411 4254 3679 2846 3417 3536 3501 3795 3449 2804 3547 3187 3093 3108 3622 3444 4076 3230 3579 3067 3051 2989 3164 3120 3439 2473 2818 3569 3207 3083 3656 3358 2907 3201 3318 3884 2747 3056 3365 3435 2992 3207 1 3345 3382 3204 3635 3179 3298 3353 2974 3789 3375 3705 3652 2584 2606 2857 3401 2825 3075 3657 2686 3490 2453 3334 3343 3178 3034 3375 2935 3316 3005 3572 2495 3209 2699 2848 3131 2840 3244 2524 2737 2979 3288 2984 3148 3482 3017 326.0705 *326.1104* 326.1104@2.9731586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2530 1 1 1 1 1 1 1 1 1 1 326.1104 *326.1189* 326.1189@1.2450469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1788 1 1 1 1 1 1 1 1 1 1 326.1189 *326.1259* 326.1259@0.96353316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2808 2317 1 1 1 1 1 1 1 1 1 1 326.1259 *326.1472* 326.1472@2.3104737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2268 4733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1472 *326.1499* 326.1499@2.3419406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1499 *326.1538* 326.1538@11.521681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4122 1 1 1 1 1 1 1 1 1 326.1538 *326.1575* C21 H18 N4 3055 2357 2481 3918 3118 2992 3402 6060 3073 2650 3337 2706 2589 2514 1 2897 3166 2556 1925 2828 2484 3239 3806 2486 2882 2968 1705 3276 1859 5869 2900 2691 1528 2905 2693 3434 2729 1 2875 3074 2391 5553 2834 2294 2696 2815 2233 5080 2437 2218 2520 2302 2124 2431 2232 1 1651 2794 2403 2169 2268 2171 2108 2253 2417 2221 2391 2445 2421 2342 1806 1949 2213 2273 2004 2306 2203 4491 2910 2533 1 2507 2432 2353 2067 2143 2181 1977 1 2396 326.1575 *326.1838* 326.1838@5.169566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1838 *326.185* 326.185@9.383314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.185 *326.1939* 326.1939@4.295049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4608 1 1 1 1 1 1 1 1626 1 1 1 1 1 1 1 1 2281 1 1 1 1 2460 1 1 1 1 1 1 1 1 1 1 1647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1939 *326.195* C14 H30 O8 533287 541867 589291 616743 577546 567870 553515 555289 548366 57640 535827 539522 617112 606019 536375 530057 917397 918804 550178 547955 496808 518214 517665 519562 554006 547261 582892 589076 591355 585169 572617 586054 490432 488978 536868 528312 553609 531840 510489 534794 534652 523524 569894 568837 523955 413065 383048 378994 333938 357993 340325 345840 30573 372718 341560 348267 340136 340456 340537 339501 389766 395381 330661 346664 279610 365356 315522 330321 401614 400936 388139 389868 341493 336881 344387 338849 386998 391578 631476 620967 351069 353037 322930 338640 352111 352848 339415 327890 338353 329664 326.195 *326.1953* 326.1953@5.2812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1953 *326.2016* 326.2016@9.988119 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1134 1 1 1 326.2016 *326.2024* 326.2024@5.2900333 1 1 1 1822 1 1 1 1 1 1 1 1 1 1 1 1 1137 1 1 1 1 1 1 1 1050 1414 1734 1891 1 1 1 1787 1 1 1 1 1 1 1 1 1 1 1629 1 1473 1475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1252 1 1 1 1 1 1 1 1 1 1322 1203 1 1 1 1 1 1 1 1 1 1 326.2024 *326.205* 326.205@9.905635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1408 1 1 1 326.205 *327.0954* 327.0954@2.9989474 1 1 1 1 55182 55649 69510 69492 1 1 1 1 32234 31988 1 1 47103 47201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12308 11709 1 1 1 1 1 1 1 1 132172 138161 1 1 1 1 1 1 1 1 30559 29180 1 1 10888 10505 1 1 1 1 1 1 257158 258159 327.0954 *327.1046* 327.1046@5.570207 1 1 1131 1271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2298 2110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.1046 *327.1078* TRANILAST 3013 3126 4235 4089 3441 2971 2926 3381 5296 4980 3905 3658 4435 4262 3613 3484 3803 4467 5456 5478 3450 3508 3410 4101 3353 2425 3604 3267 3015 3126 5512 5307 4071 3396 4831 5191 6186 6834 6561 6804 4604 4644 5064 4936 4638 5080 4384 4583 3286 3537 5368 5761 5413 5604 2886 3006 3614 2873 5498 5877 3708 3671 4724 4839 4922 4893 2611 2589 5015 5137 5406 5689 3497 3749 3722 4229 5274 5414 1 2334 4460 4297 3757 3902 5786 6146 5476 4157 6143 6183 D02027 327.1078 *327.1143* 327.1143@1.2270461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2182 1 1 1 1 1 1 1 1 1 1 1 327.1143 *327.1227* 327.1227@0.96353316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14224 14891 1 1 1 1 1 1 1 1 1 1 327.1227 *327.1318* 327.1318@3.290725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2059 2303 2027 1890 1 1 2970 3424 3616 3576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5340 5303 1 1 1 1 1 1 1 1 1 1 327.1318 *327.1523* 327.1523@3.9473164 1 1 1 1141 1 1 1 1 1 1 1403 1 1 1 1 1 1 1 2096 2216 1281 1133 1 1 1 1 1 1 6013 5971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2585 2375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1639 1844 2432 2517 1 1 1 1 1 1 3728 3988 327.1523 *327.1539* 327.1539@5.6130476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.1539 *327.1892* C14 H25 N5 O4 2503 2336 2443 2599 2536 2493 2462 3104 2627 2639 2220 2420 2382 2612 2473 2585 2813 2503 2648 2465 2307 2484 2638 2652 2522 2377 2665 2046 2635 2594 2775 2512 2443 2540 2625 2371 2615 2507 2383 2360 2973 2764 2330 2515 2764 1949 1728 1953 1689 2024 1633 1862 1909 2241 1849 1730 1815 1985 1733 1961 2257 1928 1970 2032 2031 1933 1873 1920 1254 2151 1767 2123 1796 2084 1761 1967 2179 1619 2206 2117 1702 1683 1657 2058 1772 1751 1882 2033 1734 1630 327.1892 *327.1895* 327.1895@4.6590366 1 1 1 1345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1449 1436 1 1 1 1 1 1 1 1 1 1 1 1 1909 1695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2155 1 1 1069 1 1 1 1 1491 2145 1 1 1 1 1 1 1 1 1 1 1 1 327.1895 *327.2032* 327.2032@9.934289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1591 1 1 1 1 1 1 1 1 1 1 1 1 1306 1 1 1 1 1 1 1 1 1 1 1 1749 1 1 1 1 1 1 1 327.2032 *327.2383* 327.2383@14.809537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.2383 *327.2463* 327.2463@14.377877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3980 1 1 1 1 1 3241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.2463 *327.2518* 327.2518@14.140936 1 1 1 4239 1 1 1 4024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.2518 *327.259* 327.259@13.176095 1643 1 1 1 1 5999 1 1 1 1 2956 1 1 1 3332 1039 1 1 1 2579 1 2422 1 3327 1 1 1 1288 1 1 1 1 1 1 1 1 2898 2633 2310 1 1 1 1 1 1909 1 1 1 1 1 1 1 1 2206 2548 1 1 1 2907 1 1 1 1 3029 1 2280 1 1 1 1 1745 1 1 1 1 2665 1 1 1 1 1 1 1 1 1 1 3004 1 1 1 327.259 *327.26* 327.26@13.2141485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.26 *327.2606* C16 H33 N5 O2 6313 6438 3551 1 6006 1790 6095 6268 6628 1815 5566 8476 1 1170 4746 6367 2320 6969 1 2799 2644 5017 3145 7689 1 3210 1 4061 3734 1 6450 5640 1649 1 1919 5693 4266 5567 5284 2279 2739 6289 5598 2615 3645 3355 1 1 2226 1903 3131 3705 3473 6177 4265 1 1121 7181 3185 4476 1 2771 1 5653 1 4458 1 4018 3368 2535 4479 1 1 1 1 3693 4870 1 3430 2341 1 1 5545 1 2056 2846 2817 7219 2594 2093 327.2606 *327.29* 327.29@12.2553625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.29 *327.2987* 327.2987@12.257297 1383 1 1286 1 1 1326 1 1 1 1 1 1 1 1 1 1 1 1127 1 1 1 1 1 1372 1 1 1 1 1 1209 1559 1 1 1 1 1 1 1241 1 1 1 1 1 1283 1722 1824 1 1356 1 1503 1 1 1 1 1 1 1354 1 1 1 1 1 1127 1 1077 1 1 1691 1155 1 1543 1021 1 1 1 1 1 1016 1649 1700 1 1 1 1 1 1 1 1 1 1 327.2987 *327.3049* 327.3049@12.259341 1 1 1 1 1 1 1 1 1 1 1 1263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1480 1 1 1 1 1 1 1055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.3049 *327.3123* N-(2-hydroxyethyl)stearamide 3796 3308 4830 4426 4060 4476 4049 5020 4584 3462 3859 3386 4295 3601 4008 3130 4246 4116 3905 5184 3276 3133 4153 3050 3243 3444 3337 3344 3034 4523 4631 3790 3228 3999 3579 4249 3544 4264 2877 4451 3827 4677 3168 3920 5021 3948 4650 3703 3027 4583 4471 3355 3419 3121 3630 4136 3193 3042 3794 3735 3267 3516 3324 4178 4225 1 3014 3255 3752 2984 3960 3224 3802 2693 3825 4151 2570 4046 4262 4076 4395 2789 4009 4063 3601 3244 2985 3969 2992 3974 327.3123 *327.3231* C19 H41 N3 O 3448 3642 3552 3208 2932 3842 3926 3710 3146 3683 3223 3177 3081 3733 2617 3019 2634 3176 2722 3468 3091 3448 3694 2852 2799 3512 3005 3207 3269 2790 3258 2595 2763 2883 3242 3116 2731 3657 3559 2820 3687 2773 3000 2873 2848 2778 2104 2364 2336 2803 2242 2400 2099 2259 2993 2166 2370 2795 2678 2844 2588 2337 2475 2586 2696 2462 2360 2610 2392 2372 2432 2442 2438 2984 2362 2583 2432 2473 2740 2894 2475 2315 2744 2634 2504 2342 2737 2608 2339 2481 327.3231 *327.7718* 327.7718@0.8479901 1 1 1 1 1 1 1 1 1 2009 1 1 1 1 1704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1632 1 1 1 1 1 327.7718 *327.7764* 327.7764@0.8441685 1 1 1 1 1955 1 1 1662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2083 1 1 1 1738 1 1 1 1 1 1 1 1 1 1 1 1410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1589 1 1 1 327.7764 *327.785* 327.785@0.8423982 1947 1983 2079 1860 1 3419 1522 1 1760 1 3453 1770 3830 1963 1 1938 3315 1903 3739 1 1752 1 1 1855 1937 1774 1718 3497 1314 1836 1788 1994 1 3957 1 1862 1965 1787 1 1131 2737 3920 1 1659 4391 1872 1589 1835 4018 1802 1793 1735 1 3919 1 1553 1 1706 3144 1 1542 1 1639 1538 1879 1 1780 1531 4605 1 2743 1734 3161 1 3437 1807 1 3693 3978 1737 3734 1096 1751 3191 1 4112 1 1 2812 1 327.785 *327.79* 327.79@0.83567506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1029 1 1 1 1 1 1 1 1 1 1 1 1 1 327.79 *327.9918* C12 H9 Cl N2 O5 S 6837 6880 7990 5325 10222 11130 10729 11153 6795 6587 5704 8399 6330 6639 9572 6448 10130 7256 5627 5381 6691 6737 6521 6831 9118 6445 6723 6005 6447 6145 7216 7179 5691 6031 9830 7537 6082 10411 6121 5942 5676 9005 10155 9064 8768 9628 10381 11564 7467 6936 7346 10179 10055 10502 9414 6607 7198 6277 9368 7222 9197 6407 5490 5596 7082 6620 7923 7872 5303 6078 5683 5389 11293 8585 8087 7934 6349 6133 5922 5845 8370 6030 9731 7303 5472 5789 5035 5145 6962 9614 327.9918 *327.9981* C13 H9 Cl O8 9140 1 6530 8094 6965 6542 5717 8446 8568 8211 6353 1600 6591 4708 1607 1 9390 6919 6700 8971 9524 1 6296 9424 9858 9917 9434 2201 1 9944 7677 1 8790 1 7698 8298 8665 8873 8905 8121 1885 6760 7013 6883 8243 3904 7881 6478 2450 7866 8124 10336 9741 12599 6724 6008 5314 6737 1 6984 5035 6174 1 4340 8038 7744 6692 6838 6933 7439 4829 4888 6115 7359 6774 7688 6377 5627 8263 1952 5868 5496 5388 7393 4706 6977 7075 6093 8468 8222 327.9981 *327.9986* 327.9986@9.247389 1 1 2047 1 1 1 2275 1 1 1 1 6692 2469 1895 1 1 1 1 1917 1 1 1 1 1 1 1 1 1 1 1 1 1 2729 1 1 1 1 1 1 1 6281 1 1 2549 1864 1 1 1936 5467 1 2140 1 1 1 1 1907 1 1 1 1 2688 1 1 1648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4061 1 1852 1957 1 2495 1 1 1 1 1 327.9986 *328.0714* 328.0714@4.9852414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1962 2336 1 1 1 1 328.0714 *328.0748* 328.0748@3.4047375 1 1 1 1 1 1 1198 1271 1 1 1 1 1 1 1293 1137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1368 1351 1 1 1 1 1 1 1 1 1772 1882 1 1 1 1 1436 1525 1 1 1 1 2164 1694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1195 1251 1 1 1 1 1 1 1 1 1 1 1 1 328.0748 *328.1295* 328.1295@7.8217716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1840 2264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.1295 *328.1466* 328.1466@1.2185457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1802 1863 1 1 1 1 1 1 1 1 1 1 328.1466 *328.242* 328.242@14.139569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.242 *328.2548* 328.2548@13.057451 1 1 1 3206 1 1 1 1 1 1 1 1051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1727 1 1 1 1 1 1 1 1 1355 1 1 1 1 1 1 1 2403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.2548 *328.262* 328.262@12.912201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2225 1 1 1 1 1 1 1 1 1 1 1 1185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.262 *328.3082* 328.3082@10.24073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.3082 *328.316* 328.316@13.981355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1332 1 1 1 1 1 1 1 1 1141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.316 *329.1201* 329.1201@6.6047015 1 1 6759 7193 1 1 1 1 1 1 1 1 3142 3326 1 1 19906 21015 1 1 3537 3742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6586 7285 1 1 1 1 6293 6417 1 1 1 1 5356 6167 1 1 32576 32985 1 1 1 1 1 1 1 1 1 1 2072 2073 1 1 1 1 1 1 1 1 5173 5018 1 1 1 1 1 1 1365 1399 329.1201 *329.132* Ser His Ser 1623 1786 2068 1988 1620 1592 2557 2698 2317 2181 1161 1 1190 1 1 1760 1647 1872 1896 2096 1943 1925 2107 2264 1264 1 1977 1596 1 1 2718 2646 1 1399 1795 1745 2306 2351 2171 2023 1860 1897 2013 1610 2627 2504 3375 3344 1795 1916 1517 1686 2234 2127 1282 1817 2181 1868 2892 2277 2628 2306 2159 2333 2925 2310 1 1 1580 1748 2415 2363 2156 2299 1546 1681 1832 1884 1 1 2118 1689 1 1175 2421 2226 1893 1 2685 3303 329.132 *329.144* 329.144@7.2374697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7478 7679 329.144 *329.159* 329.159@3.952773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1316 1564 1 1 1 1 1 1 1 1 1 1 329.159 *329.1837* 329.1837@4.4753413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1373 1603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.1837 *329.2028* C17 H31 N O3 S 42008 37525 1 1 35889 1 43593 45186 43289 43988 46440 44077 41371 27269 41888 46481 42064 35809 21937 42703 44062 42912 47039 45644 41814 18404 9022 9905 13993 45256 36574 22682 45916 44429 33644 42514 45208 41311 42627 8899 44717 43727 44799 40019 43160 43005 38346 33929 32298 23682 23825 1 1 1 24713 23804 6554 26042 26480 26025 1 21509 22356 25877 21091 26114 1 22072 1 20281 23864 24826 26912 1 25726 20414 1 24209 25205 24535 27033 24703 1 25675 1 1 24700 1 24354 23384 329.2028 *329.2029* 329.2029@10.101709 1 1 1 20812 1 35081 1 1 1 1 1 1 1 18139 1 1 1 1 22124 1 1 1 1 1 1 27977 35995 24908 30632 1 1 15645 1 1 1 1496 1 1 1 33832 1 1 1 1 1 1 1 1 1 1 1 5486 14459 11883 1 1 10345 1 1 1 17374 1 1 1 1 1 13068 1 1 1 1 1 1 20441 1 1 16814 1 1 1 1 1 16484 1 11888 11891 1 15218 1 1 329.2029 *329.2031* C17 H31 N O3 S + 10.334351 11521 10460 13314 13044 10987 10648 10277 11703 13231 12317 12127 11201 11493 12770 11339 12055 10793 7852 12649 11441 11527 14360 10864 12488 11661 1 10833 11798 13899 12707 12041 13752 12027 11093 11882 11831 12063 10207 11924 9649 10209 11327 12011 12090 11508 12453 1 1 1 9451 7625 8639 1 6280 5842 1 4035 6813 6519 6092 5181 4693 6034 7069 1 1 7161 6570 1 1 5902 6955 7438 6257 5351 1 5894 4788 6801 6543 8416 6614 6676 1 7207 5288 7547 6448 6572 6928 329.2031 *329.2032* 329.2032@10.210947 1 1 12727 13382 1 10303 1852 1 1 1 1 1424 1 1 1 1 1 1 1 1 1 1 1 1 1 1990 1060 1964 1200 1641 1 1 1 1 1 1 1 1 1559 1321 1 1 1 1 1 1 1 1 1 7502 1 8586 6796 1 1 1 7974 1 1 1 7220 1 4221 1 1 1 13143 1 4837 1 1 1 1 6048 1 1 9522 1 1 1 1 1 8828 1 1 7555 1 10089 1 1 329.2032 *329.2042* 329.2042@10.275248 1 1 1 1 1 1868 1 1 1 1 2146 1 1 1 1508 1 1 1982 1 1596 1 1 1 1 1 11251 1 1 1638 1 1519 1 1 1 1 1 1 1 1 1 1 1 1660 1 1 1 9923 9835 8555 1 1 1 7514 1 1 6435 1752 1 1 1 1 1 1 1 6625 7339 1 1 7871 6270 1 1 1 1 1 1 1 1 1 1 1 1 1 6052 1 1 1 1 1 1 329.2042 *329.2042* 329.2042@3.9742799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2099 4662 1 1 1 1 1 1 1 1 1 1 329.2042 *329.214* 329.214@9.942448 1 1953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.214 *329.221* 329.221@9.951505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.221 *329.232* 329.232@9.946862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.232 *329.253* 8,13-dihydroxy-9,11-octadecadienoic acid 1 1 3262 1 1 2939 1 1 3595 1 1 3018 1 1752 1 1 1 1 1 2128 1 4003 2116 1 1715 2175 1 1 1 4088 1 1 1 1 2325 1 2626 1 1 1 1 1 3846 1 1 1560 1 1 1 1 1358 1 1 1 2935 1334 1042 1 1 1 1 1 1 2544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2008 3340 2812 1982 1 2289 2589 1 329.253 *329.2565* 329.2565@11.300727 1 1 1 1 1 6476 1 91525 1390 1 1 1 1 91660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1692 1 1 1 1 1 1 1 1 1 1 1 1172 1 1 1 1 1 1 1 1 1 1 1 1 3148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2119 1 1 1 1 1 1 1 1 1 1665 1 1 89868 1537 329.2565 *329.2569* C18 H35 N O4 118507 121134 123159 120414 123729 120411 117599 112845 122004 120031 120757 116178 121214 115398 121180 119148 115504 120055 118649 118163 119609 119278 120952 122335 117520 117911 119335 116103 116250 115887 113746 115493 114882 117626 105580 116401 116675 116274 117183 117613 116138 115123 114938 116812 112556 121868 121314 121721 124238 120923 123244 120708 122449 122301 124213 119186 120892 120726 118709 103208 114420 120703 118676 116898 119894 121915 118845 100370 120544 117149 120945 115923 117917 117085 117232 118723 115382 115182 114264 117501 118217 119677 119468 116860 115974 117099 100543 115222 115307 114273 329.2569 *329.2569* C18 H35 N O4 + 11.286503 95396 87037 92851 91283 87945 82480 85690 8949 93719 93108 91458 92290 86824 1 85565 94588 93272 92963 92726 94727 83356 89015 91890 90738 91403 94698 96150 90375 87766 89636 90477 87389 91224 94353 88020 93595 91625 90709 87037 90388 84839 89978 87459 89117 84347 91809 89884 94074 94693 94584 95289 90159 94102 87371 91017 89196 89147 90894 94621 91391 81020 84877 87258 91936 93371 80235 82599 89820 87500 89320 87457 88390 82420 93848 91137 88090 90010 87565 92574 92925 88196 89481 81417 89335 90427 89472 82417 87377 1778 86051 329.2569 *329.8977* 329.8977@0.8107178 1044 1 1 1227 1212 3687 1169 1 1 1 1 3824 1 1092 1123 1 1 1 4165 1 1 1 1 1253 1 1 1114 1 1 1 1 1038 1245 1 1330 1 1365 1 3137 1 1 1 1 1 1 1 1 1 3603 1 1 1214 1 1 1 1 1070 1186 1118 1 1233 1154 1 1018 1 1 1 1 1107 1 1211 1 4008 1033 1 1058 1 1 1 1011 1313 1 1 1113 1284 1145 1 1 1 1247 329.8977 *329.9894* C12 H11 Cl N2 O3 S2 2207 2032 1 1902 1 1 1 1 2389 2215 2206 1 2369 2261 1 2279 1 2235 2162 2013 2635 2781 2406 2081 1 2458 2070 2511 2239 2293 2049 2051 1720 1995 1 2436 2354 1 2118 1837 2272 1 1 1 1 1 1 1 2773 2490 2509 1 1 1 1 2106 2258 2843 1 2240 1 2385 1999 2181 1903 2025 1 1 1939 1818 1790 2228 1 2648 1 1 2215 1938 2188 2040 1 2229 1 2404 2057 2014 1791 2078 2326 1 329.9894 *329.9944* C14 H7 Cl N4 O2 S 2647 1 2207 1883 2156 1 1232 1468 1551 1661 1625 1624 1926 1 1 2702 1 1 1918 1485 1 1381 1684 1 1782 1717 1 1 1 1 2129 2056 1 1902 1 1765 2378 1795 1 1463 1772 1 1416 1 1575 1 1579 1887 1135 1 1 1 1 1 1528 1768 1522 1670 1892 2644 1 1726 1 1023 1701 1535 1 1685 1 1599 1 1 1519 1703 1450 1405 1836 1 1633 1911 1 1 1 1707 1988 1683 1 1357 1494 1580 329.9944 *330.0354* 330.0354@3.4055538 1 1 1 1 1 1 1 1139 1182 1020 1 1 1 1 1 1 1 1 1 1071 1 1 1 1 1 1 1 1 1 1 1048 1036 1 1 1 1 1 1 1049 1000 1801 1624 1 1 1 1 1099 1527 1 1 1 1 1803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1140 1 1 1 1 1 1 1 1 1 1 1 1 1 330.0354 *330.085* 330.085@5.1617575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3133 3978 1 1 1 1 330.085 *330.1041* 330.1041@0.9043838 1 1215 2730 2485 3121 2834 1 1 1236 1337 1 1 1498 1419 1575 1655 1 1 1 1 10432 8727 7615 7563 1364 1562 9032 10755 10154 10307 1182 1 1 1 1854 1502 1 1 1 1 1216 1080 1 1 1016 1 1076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1332 1679 1 1 1 1 1 1 1 1 1 1 1 1 1 1007 330.1041 *330.1354* 330.1354@3.7037327 1 1 6379 6411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7166 7487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.1354 *330.1594* 330.1594@1.242047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3046 1 1 1 1 1 1 1 1 1 1 1 330.1594 *330.1667* 330.1667@4.272993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2265 2355 1 1 1 1 1 1 1 1 9050 8596 1 1 1 1 1 1 1317 1128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.1667 *330.168* 330.168@4.8199697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.168 *330.1871* 330.1871@10.956687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.1871 *330.1992* 330.1992@10.087216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1207 330.1992 *330.2049* 330.2049@10.161472 1 3937 1 1 6729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7448 1 1 1 4378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.2049 *330.2068* 330.2068@10.155715 1 3861 8438 8894 3942 1 1917 1 1 1 1 1 2546 1 3342 1 1 8406 1 2576 1 1589 1 1 2358 1 1 4913 1 1 3593 5848 1 1 5838 2303 1 3224 1 1 1 1 1 4081 1 1 1 1 1 1 3728 4778 5809 5277 1 1 1163 1 1 1 1 1 1 1 4555 1 1 1424 4879 3672 1 1396 1 1 1 6240 1 1 1 1 1 2576 1 1 5077 5026 1 1 1 1 330.2068 *330.2188* 1-Hydroxytetrahydrocannabinol 5288 4493 1 5010 1 1 3648 5176 1 4674 5430 5531 4864 5592 4546 8421 1 4114 1 5133 1 4434 5096 5398 3693 2918 1956 1 1 1 4595 1 6865 1 1 1 4923 1 4160 4293 5579 5269 4344 1010 4739 1 4390 1 5113 4729 4566 4357 4252 1 4162 6296 1365 4228 4188 1 4220 1 4450 4630 4329 1 1 3857 4216 1 1 1 1 4068 1 4297 1 4174 1 4309 1 3773 3065 3433 1 4207 4373 3873 1 5174 330.2188 *330.2197* 330.2197@12.187306 1 1 6733 1 6888 4434 1 1 4741 1 1 1 1 1 1 1 5335 1 5046 1 4365 1 1 1 1420 7499 4286 4432 4280 3983 1 1 1 4775 8911 4624 1 4573 1 1 1 1 1 4027 1 4985 1 4392 1 1 1 1 1 4310 1 1 1908 1 1 5136 1 5519 1 1 1 4552 6232 1 1 4127 4251 4225 7164 1 4953 1 3839 1 4458 1 3075 1 1 1 3928 1 1 1 4367 1 330.2197 *330.2531* 330.2531@6.079191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1559 1567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.2531 *330.2562* 330.2562@11.350167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1827 1 1 1 1 1 1 330.2562 *330.2753* 330.2753@13.594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.2753 *330.2767* 1-hexadecanoyl-sn-glycerol 28756 27328 27279 28211 28405 27856 32282 30656 7113 27078 28005 29580 30237 30586 26166 27063 27402 28564 27435 28664 32664 7757 25864 28300 25278 27080 25063 25175 25376 27382 27373 26205 25601 28621 25365 26328 25663 27893 26456 29389 26002 31703 27187 27712 27799 33373 27395 28747 28552 29445 28736 28802 31588 28034 27350 26266 1449 30682 26546 32181 28306 27604 25745 27840 27594 26786 28780 25946 25323 26631 29961 29629 28726 26265 30209 28702 25202 28509 28544 27400 30671 30782 30193 26914 28830 28715 26438 26230 25337 27365 330.2767 *331.0889* MY-5445 7733 7627 1 12898 8318 5927 1 10100 1 10264 1 9421 8924 1 8355 9074 8492 10033 1 1 1 1 14915 10462 1 5638 1 1 6581 1 13972 13279 1 1 9504 10171 23196 20043 16401 12728 11532 12547 7601 11079 1 13003 14234 13859 1 9764 10257 10051 13708 13314 1 1 1 7376 1 18943 1 11506 13519 13671 9850 1 5372 4208 10057 9714 19973 18649 9076 1 8880 10835 12398 14602 21870 1 12948 13203 1 12280 18714 18330 8052 8182 18852 19202 331.0889 *331.0956* 331.0956@0.90674967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6555 7177 1 1 1 1 8132 1 1 6608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.0956 *331.1313* 331.1313@1.2450472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1710 1 1 1 1 1 1 1 1 1 1 1 331.1313 *331.1368* 331.1368@1.2430469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1322 1 1 1 1 1 1 1 1 1 1 331.1368 *331.1553* Cys Pro Ile 16745 16578 14278 17785 1 18132 16780 15278 15237 15313 12991 17267 14752 17259 15679 18602 15982 1 17448 17610 15652 15475 14744 16632 15553 18259 16149 9565 17654 15121 15197 17708 14327 15594 1 17207 12958 15829 1 14511 16459 16760 13527 13501 10392 1 14747 1 15396 13921 14089 13099 15576 14366 15743 1 3483 15268 1 1 12131 13681 15406 1 13821 1 15782 1 12736 15576 15575 1 15531 13794 14183 13976 13762 16332 15151 15479 16052 1 13297 13720 14548 15704 15977 14706 16537 15378 331.1553 *331.1556* 331.1556@8.281273 1 1 1 1 17470 1 1 1 1 1 1 1 1 1 1 1 1 15636 1 1 1 1 1 1 1630 1 1 4617 1 1 1 1 1 1 16644 1 1 1 13772 1 1 1 1 1 2646 11267 1 15645 1 1 1 1 1 1 1 15928 10902 1 14336 13887 1 1 1 14519 1 14386 1 14733 1 1 1 15624 1 1 1 1 1741 1 1 1 1 13865 1 1 1 1 1 1 1 1 331.1556 *331.1558* 331.1558@8.376421 2967 2951 3783 1 1 1 1 1 3389 3342 1 1 1 1 3161 1 3662 2947 1 1 3134 2114 3456 2118 1 1239 1 2208 1 2881 1 1 3461 1 1 1 3231 1 1 2925 1 1 3404 2277 1 2266 2731 1 1 2803 1 2228 1 1 1 1 2129 1 2382 1 2143 2513 1 1 2653 1 1 1 1 1 1 1 1 2466 2171 2865 1363 1 1 1 1 3050 2241 1 1 1 1 1 1 1 331.1558 *331.2023* 331.2023@10.108732 1377 1 1 1 1 1 1 1 1669 1 1 1352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1251 1 1 1 1 1 1 1450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.2023 *331.2717* C18 H37 N O4 5417 4733 4730 4652 5232 5862 5530 5782 5996 5018 5537 5294 5096 5615 5556 5746 5787 5787 4872 5501 5558 5192 4756 5202 5681 5010 4619 4509 5021 4559 4471 4455 4833 4607 5091 4474 5203 4253 4434 4228 5011 4806 4149 5088 4786 4352 3863 4817 4910 4311 4034 4730 4354 4435 4680 4573 4799 4786 5039 1 4778 4704 5131 5754 5529 5326 5155 5345 6045 5937 6303 5713 6188 6055 1 5647 6003 5397 5518 5208 5939 5660 5446 5239 5667 5426 5833 5733 5648 5672 331.2717 *331.2726* 331.2726@13.457117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.2726 *331.2735* 331.2735@13.484866 1 1 1 1 1 1 1 3546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1722 1 1 1 1 1 1 1 6017 1 1 1640 26001 1 2203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2285 1 1 1 3443 1156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.2735 *331.2798* 331.2798@13.581111 1 1 1 1563 1 1 1707 1 1 1 1 2496 1 1 1 1 1 1 1 1258 1 1399 2629 1 1 2324 1 1 1 1 1626 1693 1 3097 1 1 1 1 1 1 1 1 1 1 1875 1 2169 1 1 1 1 1 1 1 4464 1 1 1 3257 1 1 1 2713 1 1 1 1 1 1 1 1 1 1 1383 1323 1 3922 1 1 1 1 1 1 1 1 1133 1 1221 1478 1 331.2798 *331.3084* 331.3084@9.008322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.3084 *331.3231* C23 H41 N 3474 3216 3379 3509 1 3345 3033 3464 1 3547 3782 1 3511 3013 3548 3149 3317 3176 3202 1 3235 3483 3017 3039 3268 1 3541 3492 3185 2836 3129 2993 3310 2808 1 1 3205 3186 2924 3294 3080 2667 2578 2804 1 3032 2511 2679 2531 3214 2657 2409 2813 2165 2607 2332 2818 2981 2468 2844 1 2308 2134 2005 2620 1 2152 2683 2298 2037 2185 2298 2962 2229 2493 1 2223 1 2407 2841 2243 1 2601 2474 2431 1 2217 2346 2112 1982 331.3231 *331.3237* 331.3237@11.962029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2073 1 1 1 1 1 1 1 1 1 1 3157 1 1 1619 1 1 1 1 1 1 1 1 4342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6761 1 2936 1378 1 1 1 1 1 1175 1 1 1 1 1 1 1 1347 1 1 1 1 1 1 1 1 1419 1 1 1 1 17773 1 1 1 1 1 331.3237 *331.3238* C23 H41 N + 11.578944 1 9381 9299 8996 9284 8906 9704 9377 9208 9828 9161 9055 8923 1 9511 9219 8957 1 1 9646 9994 9276 9598 1 1 9532 1 9476 9864 1 9349 9391 9236 9612 9132 9332 8776 9229 9773 8485 9284 8505 1 1 8857 8583 8347 9021 9057 9314 1 9269 8125 1 1 1 1953 9288 1 1 8669 8526 1 1 8468 8777 8262 3512 8018 8258 1 1 8027 7885 7770 8286 7483 7797 1 7958 1 7700 7331 8220 7035 7598 7362 6835 7800 6891 331.3238 *331.3239* C23 H41 N + 11.886491 21135 19821 20733 21306 22473 21460 21213 21209 21989 24202 21509 22528 20554 22270 21567 21769 22774 22819 22599 21958 22662 22479 21727 22489 22678 20068 22342 22092 21954 22145 21711 21916 21632 21523 22958 22341 21659 17484 21938 22050 20177 21827 21551 22845 23018 21234 22697 21007 21571 22339 21747 24122 22031 16058 22971 20278 21955 22233 23047 22907 22044 20912 21793 22664 20943 21769 21561 21225 20048 20431 21148 21292 21916 21815 20740 19986 20021 19370 20638 20885 20137 19698 19865 19324 2886 20607 21013 20203 20333 19855 331.3239 *331.3242* C23 H41 N + 11.501242 8665 1 1 1 3031 1 1 1 3383 1 1 2811 1 8872 1 1 1 9594 9078 3040 1 1 1 10218 9304 2632 9209 1 1 8959 1 1 1 1 3317 2650 1 1 1 1 1 1 8581 8571 2912 1 1 1 1 1 8453 1 1 8691 8932 8577 7084 1 7918 8882 2621 1 8746 8845 1 2349 1 4788 1 1 8085 7842 1 1 1 2224 1 2484 7247 1 7330 2145 1 1 1 2374 1 1 1 1 331.3242 *331.8329* C3 H3 Cl3 N2 O4 S3 12682 13557 12633 12739 12269 12071 12289 13198 13038 13201 13246 12601 12476 13322 13398 13569 13509 12532 12709 12348 12283 13085 13232 13390 12623 12784 12672 12789 12516 12688 12850 12443 12960 13451 12930 13118 13551 13287 13173 12701 12335 12428 13304 12355 12822 11781 12685 15247 13209 13862 12450 12646 14247 13338 12477 12962 12356 12383 12663 13242 12359 12375 12707 13222 12763 11723 12552 12567 12114 12265 12156 12445 12278 12428 12622 12184 11854 12155 11947 12762 12568 12475 12876 12817 12022 12309 11719 12560 12400 11836 331.8329 *331.9489* 331.9489@0.79499966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1128 1 4607 1362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1695 1 1 1 1 331.9489 *332.0905* C18 H20 O2 S2 3429 3722 2135 1 2863 2883 3378 3391 3084 3205 2016 1 3574 2606 1526 1 1946 1 1 1 2668 2605 6547 5748 2085 1879 3611 3776 2230 2590 1 1 1 1 4586 3654 1 5760 1 2872 3195 3533 4690 4630 3680 3355 5496 5055 2708 2965 1 3940 3783 4271 2617 2626 1 2237 1 1 3756 4267 3314 3260 5764 4640 2426 2459 2574 1 1 1 2400 2087 2767 1 3081 1 1 1 3913 4437 1 1 1 1 1 1698 6963 6049 332.0905 *332.1373* 332.1373@6.4298882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2569 2459 1 1 1 1 332.1373 *332.1393* 332.1393@13.030866 1 27376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28223 1 1 1 1 1 1 1 1 1 1 1 332.1393 *332.1394* 332.1394@11.082068 1 1 1 1 1 1 1 1 1 1 1 1 1 1206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1512 1 1 1 1 1 9708 1 1 1 1 1 1 1 1 1 332.1394 *332.1398* 332.1398@13.106316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21212 1 1 1 1 1 1 1 1 1 1 1 1 1 1708 6504 10093 1 1 1 1 1 1 8831 8435 5560 1 1 1 1 1 1 1 1 1 1 1 1 1 4594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.1398 *332.1409* 332.1409@1.2410468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2510 2233 1 1 1 1 1 1 1 1 1 1 332.1409 *332.1417* 332.1417@9.782144 1 1 1 1 1 1 1023 1 1 1008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.1417 *332.1712* 332.1712@4.690752 1 1 1 1 1 1 1402 1 1 1 2551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.1712 *332.2102* 332.2102@5.077614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1071 1104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.2102 *332.2778* C16 H36 N4 O3 2051 2539 1 1 1 1 2132 2225 2942 2896 1 1 1 2066 2039 3084 1 1395 1 1 1 2148 1 1 1 1 1 1 1 1 2754 2513 1 2333 1 2514 2368 1 2654 1789 1 1 1 1 1 1 1 1 1 1 1 1312 1 6325 1258 1 1857 1 1 2196 1752 1 1 2027 1 2485 1 2779 2742 1 1 1 2048 2369 1 1384 1 1 2178 3275 1 2381 4705 2301 2125 2175 1 2688 2142 1 332.2778 *332.2898* 332.2898@12.628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.2898 *333.0973* 333.0973@1.0122691 1 1 1 1 1 1 1 1 1196 1253 1 1 1 1 1309 1111 1 1 1 1 1 1 1 1892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2218 1919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 333.0973 *333.105* C18 H15 N5 S 4696 1 1626 1872 3318 2515 1 1 5942 1 1 1 1 4597 1 6693 6097 1 8513 8822 3240 1 1 1 2929 2713 1 1 2229 2431 1 1 1 6016 1 1 1 1 7242 1 1 1 2222 2368 1932 2530 6961 1 1 1 1 1 7954 1 1213 1468 1761 1769 4694 1 3152 3373 1923 1890 1 1 1 1 1 5388 1 1 3396 1 4985 5553 1 1 1 3962 1 1 2255 2162 1 1 1 3141 4747 1 333.105 *333.1085* 333.1085@0.92202574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1153 333.1085 *333.1431* 333.1431@13.0787325 1 1 1 1 1 1 1 1 1 1 1 1836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1227 1 3718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 333.1431 *333.1433* 333.1433@11.02348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 333.1433 *333.1521* 333.1521@3.2860088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 333.1521 *333.1527* 333.1527@3.2955031 1 1 3342 3075 2219 1589 1 1 1 1 1 1 1 1 2054 1 1 1 1 1 10123 11229 13865 13609 1 1 14700 5141 14547 14622 1 1 1 1 1855 2015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 333.1527 *333.1641* 333.1641@3.3377807 1 1 1 1 1 1918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 333.1641 *333.1734* 333.1734@3.3518085 1 1 1 1 1296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 333.1734 *333.8303* C11 H Cl3 S3 11958 12493 12331 11705 12682 12329 12539 12297 13327 12109 12087 12346 12447 12307 13010 12712 13404 12147 12903 12135 12516 12416 12350 12510 12169 12622 12029 11523 12773 11848 12159 11830 12828 13229 12810 12282 13362 12699 12565 11886 12517 12181 12858 12001 12633 13040 12135 13093 12908 12654 12616 13052 13190 12480 12531 12933 11902 11872 12608 12593 12066 12829 12692 12640 12309 11542 12310 11997 12410 11909 11972 11842 11888 12061 11661 11974 11593 11721 12045 11535 11914 12074 13116 12512 12006 12127 11407 11738 11816 11718 333.8303 *334.0911* 334.0911@0.9956639 1 1 1257 1 1582 1 2247 2203 1881 2162 1 1 1 1 1 1 1487 1611 1 1333 1599 1 1704 1349 1201 1 1 1 1 1 2083 1909 1 1 1 1 1 1 1 1641 1 1 1 1 1 2412 2748 2680 1355 1623 1 1163 1 1762 1 1244 1673 1 2108 2452 1 1325 1 1 1 1 1 1 1 1 1597 1962 1880 1731 1 1 1227 1 1 1 1 1 1 1 1 1 1 1 2082 2246 334.0911 *334.0945* 334.0945@0.9960033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1528 1 1 1 1 1087 1 1 2838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1644 1 1 1 1 1 1 1 1 1 1 334.0945 *334.115* 334.115@2.183476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6342 6034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.115 *334.116* 334.116@2.2469747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6687 6768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.116 *334.1176* 334.1176@0.8999941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.1176 *334.137* 334.137@7.8237715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2348 2504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.137 *334.1581* 334.1581@10.148198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2943 1 5024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.1581 *334.1795* 334.1795@4.4125834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1416 1347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.1795 *334.2155* bicyclo-PGE2 2419 2284 1 1 4746 4782 4038 4755 3980 4093 3915 4216 5652 5200 2465 1 4764 4273 3536 4169 2811 3308 2723 2340 1 5951 1 1 3661 3615 1 1 2400 2292 3431 3171 4546 4995 3874 3743 4189 1 5878 5417 8121 1 3850 3437 3024 2624 1245 2022 4227 3684 2127 2252 2572 2314 1975 1743 4309 4066 3180 2796 3938 4091 1517 1764 1 1 1 1 2263 2194 2098 2267 1 5717 6399 1 2325 2105 1983 2150 2959 2591 1887 2471 1766 1886 334.2155 *334.2205* 334.2205@7.283423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1318 1 1 1863 1712 1 1 1 1 1 1 1 1057 1280 1320 1 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.2205 *335.0099* C9 H18 Cl N O4 S3 1465 1 1 1 1251 1055 1681 1445 1 1048 1275 1414 1 1 1 1062 1399 1323 1308 1 1003 1187 1 1 1397 1557 1228 1274 1 1272 1026 1 1202 1 1039 1 1142 1011 1095 1 1302 1 1116 1 1090 1181 1296 1192 1 1 1 1081 1218 1053 1051 1025 1 1 1 1 1259 1130 1 1161 1164 1276 1 1 1208 1286 1069 1020 1481 1310 1 1 1213 1 1 1 1 1 1 1 1 1 1507 1626 1086 1167 335.0099 *335.0634* C12 H21 N3 S4 2314 2646 2475 2495 2210 2198 3580 3766 2443 2715 3596 3506 2889 3027 3053 3161 3331 3153 3923 3987 2652 2629 3444 3125 1 1952 2309 2440 2716 2342 3733 3847 3002 1 3490 3978 3767 4434 4171 4176 5871 5078 2775 2821 2663 2766 4010 4215 3362 3604 3459 3738 4000 3766 2666 2481 2035 2101 4625 4063 3320 2958 1 2541 3715 4647 2563 2894 2961 2756 4191 4190 3051 2782 3620 2980 3351 3230 3007 2501 3373 3170 2523 2593 4381 4720 2690 2569 3057 3823 335.0634 *335.1695* 335.1695@1.2217349 1 1 1036 1 1 1 1 1 1 1 1 1 1 1 1224 1 1145 1 1 1 1276 1686 1 1 1 1 1749 1 1 1 1 1 1 1 1 1 1373 1 1984 1 1431 1474 1 1 1 1 1 1 1 1 1 1339 1 1338 1 1 1 1181 1 1 1 2035 1 1 1 1 1 1 1350 1 1725 1 1 1530 1424 1 1 1 1 1 1 1 1 1464 1368 1499 1 1745 1 1 335.1695 *335.3022* 335.3022@12.182888 1 1 1 1 1 2724 3330 1 1 1290 1 3028 1 2196 1 1999 1 1 1 1 1 1 3049 1 1 1 1 1 1 2314 1 1225 1 3396 1 2862 1 17340 1888 1 2576 1 1 1 1 16821 1 1 1 1975 1 1788 1 1 1429 1 1875 1 1 1 2273 1693 1 1 1 1 1 1365 1 1955 1 1 1 1852 1 1 1 1799 15847 2570 16341 15175 1 1 1 1 1 15639 1 1 335.3022 *335.3037* 335.3037@12.734064 1 1 1 1 1 1 1 1 1 1 1 1 1 18166 1 1 1 1 1 1 1 1 17185 1 1 1 1 1 1 1 1 1 1 17225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16393 1 16220 1 1 1 1 1 1 1 1 16605 1 1 1 1 1 1 15580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.3037 *335.8264* C9 H Cl O2 S5 5298 5778 1 6957 5420 5782 5378 6025 5496 5553 6011 5225 5599 5542 5863 5384 5874 5545 5421 5529 5905 5588 5623 5896 5358 5284 5763 5839 5380 5665 5661 5566 5801 6713 6086 5803 5602 6024 5403 5062 5175 5296 5731 5417 5353 5416 6111 10177 6255 5773 7330 5820 6737 5316 7172 5410 5409 5043 5270 5034 5173 5289 5375 6700 6697 5449 5349 6622 5463 5128 5030 5113 5529 9101 4814 5722 5324 8585 6744 5293 5213 5528 5735 5295 5329 5047 5366 5590 5589 5194 335.8264 *336.0463* 336.0463@0.9180025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 1161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.0463 *336.0974* C16 H20 N2 O2 S2 + 5.787517 1918 2031 1 1 1 1 3097 1 1 3135 1 1 1 2736 1 5079 1 3611 6177 1 6064 3062 2097 1 1 8549 9012 5748 5867 1 1 9182 1 9853 1 4998 1 1 1 6052 1 7913 5271 1 2939 5914 7294 1 4640 1 7438 8686 4280 4918 7395 6417 10579 9305 7941 11145 8347 1 7165 3244 1 1 7610 1 10655 1 8892 12080 1 7277 7503 8545 1 7806 8517 9565 9387 10034 1 10762 8115 8013 8957 7772 1 8631 336.0974 *336.0977* C16 H20 N2 O2 S2 + 5.683763 5500 5943 9126 11091 1 7876 5367 11729 1 1785 12357 7883 9498 7734 17402 14193 15790 1 20161 16706 14918 21499 16750 1 23766 7535 14922 16717 1 20514 26148 9129 21204 1 1 13826 1 1 21517 15506 26891 3872 9999 13901 13829 3378 15391 1 14521 19015 18277 16205 1 27348 22158 19816 15090 9020 21732 29453 7803 1 23700 1 28606 1 1 25288 1 1 22254 31204 21279 1 1 23463 28629 22625 19382 25661 3687 19318 1 21673 1 17935 3698 25669 30715 9388 336.0977 *336.0978* C16 H20 N2 O2 S2 1 1 1 1 9736 1 1696 1 11850 6866 1 3743 1 1 1 2284 1 11022 1 1 1 1 1 17913 1 17462 1 1 20292 1 1 18280 1 18980 15869 1 14824 16552 1 1 1 19072 1 1 3134 20557 6341 23509 1 1 6670 4100 25270 1 4614 9537 4622 16774 1 1 17057 24567 1 12501 1 27759 24802 1 17427 28388 1 1 1 21585 18558 1 1 1 1 1 16359 1 30467 1 25637 1 13811 1 1 17838 336.0978 *336.098* C10 H18 Cl2 N8 O + 10.066253 1 1505 1355 1466 1130 1 1340 1416 1476 1506 1480 1214 1 1 1341 1465 1 1353 1231 1473 1180 1195 1415 1609 1226 1228 1262 1428 1411 1273 1112 1148 1290 1231 1139 1426 1317 1272 1366 1196 1 1309 1191 1286 1534 1526 1423 1 1251 1262 1 1492 1095 1359 1100 1 1 1 1167 1 1191 1346 1 1 1180 1273 1175 1141 1 1319 1 1218 1271 1300 1331 1081 1142 1128 1133 1444 1359 1146 1 1055 1329 1 1182 1009 1 1145 336.098 *336.0981* C10 H18 Cl2 N8 O 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1040 1 1 1 1 1 1249 1258 1381 1 1 1 1 1 1 1 1088 1 1 1 1 1 1 1 1 1087 1096 1321 1218 1 1347 1271 1245 1226 1248 1 1 1 1 1 1243 1134 1058 1074 1184 1172 1092 1 1101 1 1 1488 1 1 1 1 1 1494 1530 1 1032 1 1 1264 1023 336.0981 *336.0984* C24 H16 S 1071 1389 1969 1315 1 1405 1626 1356 1256 2062 2740 2316 1140 1320 3702 1365 1941 2124 3743 4109 4222 1353 1267 3372 6035 4038 4685 4698 4118 4314 6380 1917 5460 4623 2389 2858 2711 1980 3463 3706 3109 1220 2485 2210 1274 1182 4327 2855 3158 2325 5043 1027 1626 1173 1724 1752 1717 5483 7230 7516 6161 5426 1 1226 5801 5375 3494 4823 5489 4708 5638 4416 4353 4341 5115 3820 6543 6860 4264 4461 5674 5316 6725 6449 3726 3880 3953 4005 6609 6393 336.0984 *336.0986* 336.0986@6.0163546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.0986 *336.0987* C13 H24 N2 O2 S3 2023 2548 2749 2396 2570 2654 3179 3192 2993 3109 3321 3809 2366 3055 5829 5766 3990 4424 1 6944 6178 7378 5674 5893 7807 1873 7256 7593 1 5928 9005 3988 9267 7821 5758 5527 4370 4942 5977 6185 7878 7744 3296 3841 7589 1071 1 7000 6003 5948 1 8072 10166 10697 10447 2741 10244 1 11001 1 1 8616 4089 7384 10844 10010 1 8490 10137 9158 10403 1 6802 1 8676 1 9689 10790 8564 1 10822 10111 12378 12751 1 7624 7775 1 11709 2500 336.0987 *336.1052* 336.1052@6.068036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.1052 *336.1064* 336.1064@4.2162914 1 1 1 1 1 1102 1 1 1 1 1 1 2134 2010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1103 1068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.1064 *336.14* 336.14@2.9900603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1906 2101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1699 1922 1 1 1 1 1102 1360 1 1 1 1 1 1 1 1 1 1 1 1 11963 12824 1346 1673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.14 *336.1678* 336.1678@0.88669634 1 1 1163 1288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5246 4902 2694 3578 1 1 3247 2806 4170 4062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.1678 *336.1778* C15 H28 O8 4141 3988 5432 5751 3536 3684 4741 4316 3111 3006 6057 5113 4086 3995 4133 4473 5888 6031 3668 4078 4105 4534 3674 3730 4990 3968 5004 4359 1384 4669 5095 5396 4338 5005 4800 5065 3776 3579 4219 4357 5725 4978 4681 4589 3484 3449 4003 4327 4825 4697 4388 4019 5440 5594 5203 3120 4348 4225 3704 3907 4096 4884 4789 5114 6528 6751 3261 3465 5555 5800 3619 3468 5588 5471 4487 5437 4639 4197 3435 3823 3615 3679 4946 4965 3583 3668 7710 7441 3756 3807 336.1778 *336.2081* 336.2081@11.676782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.2081 *336.2118* fluoxymesterone 2501 2042 1627 1 1691 1 2024 2375 1 2770 1 2308 1759 2495 2126 1986 2107 2388 2677 1624 3068 1156 3522 2439 1556 1896 2215 1 1787 1663 3309 1 2533 1908 1483 1981 1958 3934 2258 2134 1 2687 1705 4150 1895 1 1416 1 2034 1703 1 1 1 4165 1 1 1396 1 1 1390 1 1 1628 1140 1803 1633 1 1 1341 1 1 1618 1 1577 1 1 1 1170 1753 1 1994 1 1 2278 1654 1 1 1 1793 1 336.2118 *336.2268* C16 H36 N2 O S2 3005 1 3392 2733 3285 5097 2569 3793 2875 2771 2733 3020 3568 3322 3526 2249 3689 2938 3090 3090 2656 3233 2941 3639 3219 3381 2477 3919 2080 2309 3380 2778 2951 2692 2419 3005 2153 2619 2476 2723 2195 2368 2669 2480 2596 1 2768 2696 2305 1929 4108 2478 2625 1 3522 1875 2269 2832 2951 1 2894 1929 2519 2990 3541 3147 3052 2906 3198 2406 2709 3150 3109 3290 1 3713 2945 2900 1 3279 3213 2870 3370 3584 2722 3279 2659 3314 2363 2292 336.2268 *336.2289* 336.2289@13.53239 1 1139 1 1 1 1 1 1 1 1 1 1 1 1 1106 1 1 1 1800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34687 1 1 1 1 1605 1 3870 1 1 1 1 1 1 1 1 1 1 38036 1 1 1 4864 1 1 1 1 1 1 1 1407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1749 1 1 1 1 4494 1092 1 336.2289 *336.2289* 336.2289@14.7074175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.2289 *336.2301* 336.2301@13.632622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.2301 *336.2371* 336.2371@7.370793 1 1 1241 1 1629 1 1365 1211 1 1 1 1 1239 1 1 1618 1483 1374 1472 1 1432 1 1 1458 1 1268 1831 1 1 1 1500 1 1400 1480 1 1 1 1452 1 1361 1376 1697 1446 1107 1 1159 1005 1141 1 1 1333 1 1607 1096 1259 1 1233 1371 1297 1 1559 1 1 2572 2186 1 1185 1 1190 1 1 1 1 1 1041 1 1 1 1752 1456 1 1073 1165 1387 1 1 1 1 1 1 336.2371 *337.0447* 337.0447@3.4451876 1 1 1 1 4168 4060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4716 5334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.0447 *337.0769* 337.0769@4.3770065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1252 1326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.0769 *337.1* 337.1@5.715744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1221 1 1415 1 3115 1 1 1250 1260 1 1 1 1 1 1 1 1 1563 1 1 1014 1 1 1332 1 1 1 1 1 1 1 337.1 *337.1252* 337.1252@3.4681866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.1252 *337.1752* 337.1752@9.725173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1736 1518 1 1 1 1 1 1 1 1 1 1 337.1752 *337.1983* 337.1983@5.3721952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1063 1112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.1983 *337.2241* QH2 2491 2008 2043 2206 2045 2479 1817 2251 1970 1673 1865 2110 1609 1 2365 2120 1835 1 2069 2117 1727 2010 2029 2090 1855 1618 1774 1960 1582 1767 1750 1849 1 1334 1736 2105 2291 1 2164 1819 1907 2109 1682 1729 1580 1454 1831 1986 1 1815 1676 1 1698 1545 1 1801 2048 1 1717 1809 2128 1431 1 1 1862 1 1736 2027 2030 1575 1372 1834 1 1 1552 1550 1 1 1889 1811 1348 1 1854 1 1863 1 1318 1636 1483 1701 HMDB01304 C00390 337.2241 *337.2336* 337.2336@13.467239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 1 1 1 1563 1 1 1 1 1 1 1 1 1 1 1215 1 1798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1001 1 1663 1 1 1 1 1 1 1 1 1 1 1 1 337.2336 *337.2564* 337.2564@11.328464 1 2058 1963 1 1 1 1774 1 1 2737 1 1 1 1 1 1 1 1 1 1935 1 1 1 1 1 1 1 1 1566 1 1 1 1 1 1822 1766 1 1 1 1848 1 1683 1 1 1 1 1858 1 1 1638 1 1 1742 1 1 1627 1793 1 1 1 1 1 1 1 1 1496 1761 1 1 1 1494 1 1 1644 1589 1 1579 1548 1826 1 1 1701 1 1 1 1 1 1 1748 1 337.2564 *337.3305* 337.3305@12.682096 1 1 1 1 1 1 1 1 1 5204 1 14378 1 3603 1 1367 1 2072 1 1 1 1 2187 1 3675 1 1241 1 1 2495 1 1 1 1 3357 1 2737 1 1 1 1 2161 1 2674 1 1 1 1 1 1 3838 2674 1 1 1 2337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1487 1 1 337.3305 *337.3329* C22 H43 N O 9028 10843 8952 11546 16399 11470 8234 9271 4474 2752 7143 5093 13057 4672 10405 6186 7443 7376 7712 1377 7578 7470 4993 8604 4052 5590 6010 3567 6350 9237 5782 7239 6834 4893 3033 5675 3459 5926 6531 6331 5520 4045 5421 2751 8099 16222 19897 3888 5849 5208 1283 2355 6032 5101 5178 1751 1943 4529 5825 5195 4590 1 3871 4547 4991 4201 2859 3476 3859 1 4027 4072 4391 3895 6886 3356 4526 3831 4522 3291 4697 5410 4687 3895 3712 4215 1828 2863 1366 4285 337.3329 *337.8133* C4 Cl2 N2 O4 S4 3767 2856 7717 2800 9433 3119 2887 2865 2647 2747 1 8867 8861 9786 3716 8901 3099 2943 2642 2711 39485 2661 2861 7623 2585 2280 3035 2707 2845 7893 2941 1 2917 21788 31538 1 1 2732 9222 2674 2469 2661 13870 2915 3010 8603 1 3863 2903 18634 2922 33675 5779 9322 1364 2826 2443 7495 2620 2947 6700 8511 9463 1 6709 2549 2880 7284 2539 2485 1 37892 9226 8469 6689 2574 8483 7933 2934 2826 2821 4381 4168 2729 14550 7325 3525 2876 2804 20940 337.8133 *337.8148* 337.8148@0.863013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.8148 *338.0212* Delphinidin 2485 3489 1766 1434 2783 3150 4136 1970 1 2985 1630 2826 2306 1431 2477 1596 3416 2609 1 1894 1261 1626 2629 1 2768 2628 2595 2659 1348 1125 1493 2484 1199 1699 3266 2286 1 2120 1757 2585 2255 1327 1699 2959 1686 3524 4365 2176 1569 3758 2695 1 2790 1988 3014 1264 1 1768 2581 1759 3193 3320 1 2177 2717 1776 1535 2792 1358 1 2044 2156 2099 3421 2844 1203 1800 2966 1 2042 1 1256 1389 2732 1 1 1234 2134 2932 1611 HMDB03074 338.0212 *338.022* 338.022@3.431854 1477 1167 1 1 1 1 2650 2625 2708 2503 1 1 1421 1251 2145 1855 1 1 1638 2155 1 1 1 1 1 1 1168 1399 1 1 1812 1694 1 1 1 1 1021 1108 1 1 2855 2650 1 1 1 1 1608 1829 1 1 1 1 1942 2243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.022 *338.0322* 338.0322@0.8924999 1 1 1 1 1 1 1 1 1727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.0322 *338.0699* 338.0699@0.90049577 1 1 1 1 1 1583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1117 1 1 1 1 338.0699 *338.0759* 338.0759@0.90410197 1 1826 1618 1532 1879 1 1 1 1 1 1 1 1093 1 1 1 1 1 1 1 1754 1555 1 1 1 1 1 1 1 1415 1 1 1 1 1 1164 1 2312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1685 1 1447 2742 1 1 1 1 1 1 1 1 1275 1 4378 1082 1066 1 1939 1993 1 1 1 1 1 1 1 1 1415 1 1 1 1 1 338.0759 *338.0825* 338.0825@0.91300625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.0825 *338.0827* 338.0827@1.2870079 1141 1 1 1 1 1606 1 1368 1 1 1 1 1 1 1 1 1184 1 1 1 1 1 1949 1 1072 1 1 1 1064 1 1 1 1 1 1 1 1 1 1 1 1086 1293 1 1 1643 1294 1822 1529 1 1499 1285 1004 1 1 1987 2548 1 1 1933 2002 1 1 1 1 1 1 1 1 1 1 1 1 1820 2136 1 1 1 1 1 1 1 1120 1 1 1 1 1 1 1263 1150 338.0827 *338.1435* 338.1435@6.554723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1111 1100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1813 1643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.1435 *338.1436* 338.1436@1.2434921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1990 1500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.1436 *338.1503* 338.1503@8.9781475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1378 1 1262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1522 1 1 1232 1 1 1 1 1 1 1 1 1 1 1 1 1 338.1503 *338.2463* 338.2463@13.239011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.2463 *339.1929* 339.1929@5.9839783 1 1 1 1 3014 3172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1704 1356 1 1 1 1 1 1 1 1 1 1 339.1929 *339.2018* 339.2018@5.39492 1 1 23486 22551 1 1 1 10486 1 1 1 1 1 13336 1 1 1 1 1 1 1 1 1 1 14240 1 22396 1 1 1 1 20436 1 1 1 1 1 1 1 1 1 1 13582 1 1 16648 1 1 1 1 1 1 10102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15594 1 1 1 1 1 1 1 1 1 1 1 1 339.2018 *339.212* 339.212@5.987747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1440 1734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.212 *339.2512* 339.2512@4.7113523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1106 1042 1 1 1 1 1 1 1 1 1 1 339.2512 *339.2524* 339.2524@4.520832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1667 1437 1 1 1 1 1 1 1 1 1 1 339.2524 *339.3859* C23 H49 N 4957 2490 5248 4771 5232 5533 3894 5403 4586 5803 5011 6779 1 4615 4635 5297 1 3622 1856 4010 3692 5654 4328 5412 6068 4761 5230 5789 4973 4836 1465 2119 6005 5639 4521 3916 1 5621 5174 4634 3077 5277 1900 5174 4409 1 4555 1353 4549 2648 1359 4512 5571 4256 3335 2867 1338 4425 4655 1 1 4268 5448 4953 3954 1 5236 3653 2500 5023 4586 4164 1419 4632 1 4661 1721 2048 3288 4678 4182 2621 3495 3979 4712 5108 5197 3835 5269 3878 339.3859 *339.3864* 339.3864@14.221973 1 2297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1859 2373 1 1 1 1 1 1 1 1 1806 1 2590 1 1 1 1 3442 1 1929 2717 1 1 1 1 1219 1 1 1 1 1 1 1 1 1 1 1 1 1933 1 1 1 1 1 1 1 1 2637 1 1 1 1729 1 1 1 1 1 1 1 1 339.3864 *339.3874* 339.3874@14.23374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.3874 *339.7886* 339.7886@0.84165215 1 1 3979 1 2474 1 1 1738 1 1 1 1618 1 1619 1 1 1686 1 1 1457 1 1 1 1 1 1 1 1 1 1 1 1524 1 1 1 1 1 1 1 1 1 1663 1 1 1 1456 1 1 1 1 1 1 1 1 1 1513 1 1694 1 1626 1 1401 1 1 1 1707 1 1719 1 1 1 1 1 1 1 1 1 1 1887 1 1 1 1 1 1 1 1 1 1 1 339.7886 *339.7929* C6 H3 Cl3 S5 4689 2932 1 1738 1 1 1591 1 3328 1 1696 1 3359 1 2716 1730 1 2707 1587 1 1395 1883 1565 2919 1367 1561 1832 1775 3549 1609 1718 1 1 3108 1 3320 1 1641 4723 1687 1678 1 1 1400 3776 1 1749 1763 3068 1472 1736 3535 1635 1944 1 1 4325 1 1 1 1697 1 1721 1758 3900 1 1656 1 1827 2979 3850 3175 3027 1789 3294 1295 1 2789 1 1679 1669 1644 1802 1 1 3842 1 1 1 3433 339.7929 *339.9249* C15 H4 N2 S4 6014 5520 5382 7058 4538 5953 5482 5026 5540 6363 5180 5525 5558 5469 5881 5291 4267 5115 5751 5219 5570 5196 5830 5884 5060 5141 4627 5282 5341 4716 5455 5880 5830 5885 5387 5301 5320 5742 5576 5528 5076 5292 5675 5568 5324 5355 5711 5530 5799 5638 4996 6070 5966 5926 4911 5062 5414 5279 5084 6198 5390 4836 5505 5704 6249 6075 6852 5330 5367 6082 5623 5626 5801 5767 5153 5436 6656 5591 5588 4876 5967 4918 6372 4710 6886 6363 4966 4032 4212 4838 339.9249 *339.9452* 339.9452@0.7770054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.9452 *340.0761* 340.0761@3.39905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1180 1298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.0761 *340.1021* 340.1021@4.5306597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1489 1463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.1021 *340.1123* 340.1123@3.968163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1378 1347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.1123 *340.1294* 340.1294@1.2479821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.1294 *340.1398* 340.1398@4.699469 1 1 1 1 1 1 1 1 1 1 3407 3342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.1398 *340.1488* 340.1488@9.923613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1801 1685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.1488 *340.1509* 340.1509@9.525189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.1509 *340.1594* 340.1594@2.980072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1619 1 1 1 1 340.1594 *340.1713* 340.1713@1.2345464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4604 4655 1 1 1 1 1 1 1 1 1 1 340.1713 *340.1731* 340.1731@4.203573 9675 1 13249 1 12865 13355 1 1 1 10866 10768 1 46755 46981 9234 1 246511 246874 14159 13369 1 1 8664 1 1 1 10627 1 23756 23974 10612 10122 1 1 1 1 9508 9385 1 1 1 1 14984 15363 1 11734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26071 24961 1 1 1 1 1 1 1 1 1 10213 1 1 1 1 1 1 51394 52310 10040 1 1 1 1 1 1 1 14049 15202 340.1731 *340.1894* 340.1894@9.26037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1215 1070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1661 1437 1 1 1075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.1894 *340.2355* 340.2355@5.793373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1275 1440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.2355 *340.2611* PGE1 alcohol 1793 1 2212 1 1 2140 1 1 2314 1 2269 1 1966 2138 1 1 1 1 1978 2011 1 1 1 1 1 1 1 1913 1 2038 2105 1 1631 1811 1775 1897 1525 2241 1 2063 1267 1945 1 1 2036 1841 1629 1782 2110 1974 1954 1873 1944 1981 1 2003 1846 1 1 1 1687 2188 1 1 1820 1 1 1 1 1 1 1 1 1 1 1 1 1 1792 1 1 1869 1767 1 1 1949 1 1808 1873 1 340.2611 *340.2665* 340.2665@14.4244375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.2665 *340.298* 340.298@14.653366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.298 *341.1009* 341.1009@5.882905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1369 1 1 1 1 1 1147 1234 1286 1115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 341.1009 *341.1036* 341.1036@5.871409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1531 1100 1 1 1 1 1296 1238 1191 1679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 341.1036 *341.1434* 341.1434@0.81835365 1300 1255 1 1 1100 1 1 1708 1 1 1 1 1438 1 1 1 1 1 1 1 1 1 1 1 1 1 1252 1103 1 1 1 1 1 1 1118 1 1 1 1 1 1 1 1 1 1 1 1 2009 1291 1231 1259 1 1516 1 1 1 1 1 1 2115 1 1 1 1 1 1 1 1 1 1 1 2457 1 1151 1 1 1 1 1 1 1 1442 1240 1 1520 1 1 1 1987 1 341.1434 *341.1457* 341.1457@4.5291696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 341.1457 *341.1705* 341.1705@4.4070845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1939 1869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 341.1705 *341.204* 341.204@4.5941186 1 1003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2981 3288 1 1 1 1 1 1 1 1 1 1 341.204 *341.205* 341.205@4.8209286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2863 2611 1 1 1 1 1 1 1 1 1 1 341.205 *341.2053* 341.2053@4.6683474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3816 3668 1 1 1 1 1 1 1 1 1 1 341.2053 *341.2062* 341.2062@5.2859025 1 1 1345 1 1 1 1 1 1 1 1 1 1344 1395 1 1 2817 2933 1 1146 1 1 1 1 1265 1347 1 1082 1 1320 1410 1177 1 1 1 1 1 1 1 1 1 1 1837 1706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1192 1732 1203 1 1 1 1 1 1 1506 1406 1 1 1 1 1 1 1 1 1 1 341.2062 *341.23* Leu Pro Ile 7036 1 8210 1 1 9076 1 7312 7296 7905 7956 1 1 1 10329 9544 1 7057 1 1 6696 5572 1 8906 10976 7472 1 10153 6919 11242 1 4812 1 6586 7189 1 1 9289 1 1 1 8706 1 7881 6914 1 1 1 6661 10834 6722 5732 8864 1 1 1 1582 1 9426 1 1 6046 1 6870 8583 1 6053 6835 6478 1 6519 6996 1 6861 10675 6654 7008 2389 8697 1 1 7429 1 4248 1 7886 1 1 1 1 341.23 *341.8609* 341.8609@0.84049106 1 1 1 1 1 13980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 341.8609 *341.8617* C5 H8 Cl2 N2 O S5 14172 14119 14125 14260 14776 1 14707 14881 14635 13698 14693 23434 24535 14825 14461 25388 14961 24324 14543 14363 23357 13986 24776 14354 14375 13926 23102 13636 14380 14469 14281 14210 15058 14491 13853 14425 14199 14586 14718 14126 14202 14261 15039 14245 23537 14987 14965 15057 13962 14361 14740 14897 24459 13892 14652 14179 7815 23634 14160 14070 14648 14926 15045 14672 14201 13401 13873 22589 13187 13653 14038 13257 13931 24349 13218 13776 13863 12835 13758 14133 14521 13792 14956 14114 14195 13377 13229 13768 15053 13735 341.8617 *341.9783* 341.9783@0.8409817 1 1 1 1 1 1088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 341.9783 *341.9812* C12 H13 Cl3 O5 1 1 1 1 1118 1 1329 1 1137 1145 1 1 1 1 1035 1 1 1365 1 1 1118 1147 1 1 1356 1 1 1 1167 1111 1007 1 1 1 1129 1188 1314 1485 1 1 1307 1 1 1 1 1 1735 1600 1 1218 1 1243 1011 1 1155 1228 1 1 1240 1 1517 1420 1574 1003 1325 1060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1016 1 1 1185 1 1 1 1 1 341.9812 *341.9886* 341.9886@0.8368619 1 1 1 1164 1 1 1 1 1 1 1 1556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1361 1 1 1 1 1 1559 1 1 1 1 1 1404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1169 1 1 1016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 341.9886 *341.9974* 341.9974@0.8340101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 341.9974 *342.0925* 342.0925@3.402054 1 1 1 1 1 1 1479 1463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1422 1412 1 1 1 1 1167 1109 1 1 1 1 1320 1382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.0925 *342.1246* 342.1246@9.583644 1 1 1594 1 1 1 1 1 1 1 2347 1 1 1 1293 1 1 1 1 1 1 1 1 1367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2093 1536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.1246 *342.1452* C24 H22 S 6110 1823 5056 1486 1983 5844 1783 2044 1789 1901 2226 1751 2170 2191 1728 2054 2039 1 1494 5360 1829 1990 2783 1 5608 4830 4920 2600 1742 1750 1886 1 1794 1719 1856 1694 1873 4699 1777 2272 4862 1700 1603 1757 2422 5055 5953 4762 1 4819 5126 5608 5959 4824 4753 5186 4283 4624 6100 5962 7353 4910 4342 1448 5732 1696 4720 5878 1 1 5770 5958 7319 1776 5916 5372 4525 5081 5447 5619 4697 5390 4945 4612 3776 4579 5019 5544 5241 5803 342.1452 *342.1483* C20 H22 O5 2139 1729 1849 2061 1802 2015 1 1 2107 1820 1740 1937 1806 2755 1694 1515 1612 1700 1790 2040 2006 1844 1753 1706 2022 1698 2570 1462 1576 1902 1788 2178 3138 1636 2958 1657 1767 1693 1545 1642 1904 1866 1843 1640 2038 1727 5336 2515 1596 2554 2672 4551 4936 6384 1615 5779 1628 1 5275 5204 4320 1 2685 1659 1627 1428 1461 4607 2412 1666 1268 4455 5416 1486 1344 4064 1 1 4664 1612 1 3964 6099 2055 2194 1 1 1 1122 5400 342.1483 *342.1579* 342.1579@1.2430313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1058 1225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.1579 *342.1981* C9 H26 N8 O6 9431 10266 9835 9712 10050 9495 10065 9884 10463 11243 9498 8584 10321 10560 3369 10245 9615 9184 10152 10366 10669 10015 11116 11420 9358 8753 10318 9640 8737 9884 10264 10441 11233 11117 10432 10995 11477 11304 11344 10858 10256 10288 10591 11173 10820 10651 10482 10818 9289 9888 8857 8799 10342 10138 13567 8925 8936 10087 10576 10511 10057 9675 10065 9372 9667 9214 9863 10747 10426 9413 10363 9723 8924 8938 9915 9698 9672 9416 10855 11132 9817 9160 10219 10215 10229 10023 8812 8141 9846 10702 342.1981 *342.234* 342.234@14.139249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2414 1 1 1 1 1 1 1 1 2040 1 1 1 1 2018 1 1 1 1 1 1 2053 1 1 2095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1707 1 1 1 1 1 1 1965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1905 1481 1 342.234 *342.2883* C19 H38 N2 O3 42231 43043 43122 41072 40615 41795 44980 45885 42793 44122 45264 43912 41763 41526 44461 44449 43918 42350 45243 46177 43571 42592 43963 43977 43177 43950 42746 41538 44143 43346 44729 43763 43426 40721 43248 42846 41547 42335 44620 42787 43536 42901 42226 43413 40594 35564 36555 34839 36410 36924 36522 38202 37733 37228 35305 38387 32424 37844 37835 37751 37959 35167 43159 41455 41410 44318 33577 36885 36773 36042 35914 36072 36144 37554 35839 36020 36539 34734 37962 39696 35945 35578 34475 35383 35555 36423 34550 36683 36567 35934 342.2883 *342.2889* 342.2889@8.661759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1622 1 1 1 1 1 1 1 1 1 342.2889 *343.0899* 343.0899@1.2475988 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1022 1 1 1 1 1 1 1 1065 1 1 1 1 1061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.0899 *343.0995* 343.0995@1.2481772 1 1 1188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1175 1 1437 1126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1078 1112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.0995 *343.1118* 343.1118@1.2543503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1100 1 1 1 1 1 1 1 1 1 1 343.1118 *343.1184* 343.1184@0.9240304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1703 1 1 1 1 1 1 1 1 1 1 1 343.1184 *343.1219* 343.1219@1.2450267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1665 1 1 1 1 1 343.1219 *343.1294* 343.1294@1.2430185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1466 1 1 1 1 343.1294 *343.1353* 343.1353@2.2139916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.1353 *343.1368* 343.1368@1.2440002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4768 4329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.1368 *343.2036* C23 H25 N3 3516 3190 2503 2791 2324 2762 2375 2007 2348 1914 2013 1715 2375 2364 2362 2064 2337 2086 1836 1619 1 1685 1909 1813 1708 1638 1777 1667 1638 1811 1 1766 1686 1714 1726 1868 1757 1595 1755 1796 1536 1277 1990 2153 1585 1041 1132 1101 1 1 1 1 1120 1 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1136 1 1 1 1 1 1 1 1042 1085 1587 1041 1 1 1 1 1 1 1 1 1 1 343.2036 *343.2187* C18 H33 N O3 S 38917 37058 1 40006 36784 39263 46211 1 42460 38051 49245 41741 38518 38103 38157 51711 43619 41164 1 40211 38440 1 37743 1 49962 35031 1 46400 11652 50628 1 1 48536 1 47357 48779 1 47857 47822 34316 1 34193 1 38713 30470 45356 44994 25351 1 1 34260 1 1 1 1 1 11079 1 1 24343 1 23986 1 1 23996 1 1 1 1 26525 1 1 24718 1 1 23132 26827 11438 1 1 23929 26635 7414 1 28481 22254 1 1 21824 1 343.2187 *343.2189* C18 H33 N O3 S + 10.687695 1 1 48496 1 11553 1 1 39918 1 1 1 1 10246 1 1 1 1 9421 49773 1 1 47660 11993 37741 1 1 43171 1 35191 1 43066 51445 1 28116 1 1 47150 1 1 1 46575 1 38503 1 1 1 1 1 34434 33344 1 40014 30846 24863 28062 36752 9309 34739 33231 1 26033 1 26003 31331 1 24293 27820 10393 26422 1 30720 21547 1 21997 20482 1 1 1 29644 22812 5699 1 17002 23642 1 8474 21594 1 1 19557 343.2189 *343.2189* C11 H25 N11 O2 1 8741 1 2168 8932 1 8404 11465 8952 11200 9214 9519 11941 12113 9309 1 1 9889 1 10310 1 1 3332 2158 11926 10970 1 1 8508 1 1 1 1 20928 1 1 1 1 11436 13443 1 1 12653 1 7291 1 1 1 8648 1 1 1 7588 7313 9013 8910 9308 1 1 1 1 1 1 6987 1 6158 7587 1 7464 7488 6637 6536 6365 7561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6297 6423 343.2189 *343.2191* C11 H25 N11 O2 + 10.916666 9352 1 9558 11539 1 10011 1 10078 1 10007 1 1 1 8523 10100 12139 9603 1 1 9715 10350 10242 9704 11376 1 8140 1 8525 1 8105 7962 12759 10846 10156 9471 8335 10137 8764 1 1 10007 9649 8768 1 7195 7931 10125 8234 1 10299 7957 8424 9665 8479 6628 1 1702 8957 7578 9566 7203 6293 1 1 1 8738 1 6277 1 1 1 1 1 7420 1 7772 6919 1 1 6873 8075 1 6395 7034 7088 5910 1 7052 1 6968 343.2191 *343.22* 343.22@5.085789 1 1 1 1 2053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.22 *343.2204* 343.2204@4.4198737 1 1 1 1 5490 9792 1 1 1 173972 1 1 1 9578 1 1 1 1 1 1 1 3017 1 1 1 1 1 1 1 1 1 1 1 1 1103 1 1 1 1 1 1 9475 1 1 1 1540 1 1 1 1 1 1 340706 1 1 1 3181 1 1 1 1 1 1 2009 1 1 1 1 1 1 1 1 1 2600 1 1 1 1 1 1 1 2699 1 3346 2320 2508 1707 7441 1 1 343.2204 *343.2205* 343.2205@3.865573 1 1 1788 1825 1 1 1 1 1 1 1 1 1 1135 1 1 1 1 1160 1 1 1 1 1 1 1280 1 1 1 1 1713 1473 1 1 1 1 1543 1233 1 1 1 1 1447 1376 1486 1112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2278 1867 1080 1233 1 1 1 1 1 1 1536 1508 1 1 1 1 1 1 1 1 1 1 343.2205 *343.2215* 343.2215@5.879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.2215 *343.2216* 343.2216@4.300474 1 1 1 1 1 1 1 1 1 317553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.2216 *343.238* 343.238@5.915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.238 *343.3037* C19 H41 N3 S 1949 2644 2216 1 3461 2457 2377 2189 2551 2141 2803 2876 2171 2860 3101 3258 2877 2608 2321 1 2296 1 2189 2350 3293 1962 2709 2355 2289 2784 2274 2574 2533 2264 2220 2688 1997 1793 2480 2463 3043 1839 3097 2260 3084 1 3264 3209 2261 3016 3046 2461 1946 2936 2428 2739 3249 2595 2703 3215 2491 3065 3477 2497 2768 2227 3511 3144 3687 2162 2281 2231 2789 2677 2896 2916 2299 2705 3098 2138 2963 2249 1951 2681 2868 2436 3110 2036 2159 2173 343.3037 *343.3044* C20 H41 N O3 3347 3052 2813 7460 6732 3666 2665 3297 3006 3047 3038 3131 2828 3385 2902 3241 3132 2503 8382 2578 6929 7207 7753 8043 2892 2633 2308 3028 2783 3072 7931 2889 7082 2556 3080 3115 2817 2521 2744 2764 7824 3053 2727 3364 7948 7644 3281 3053 7479 2712 3334 2723 8256 7872 2821 2976 2982 2555 2723 3498 3000 8499 2554 3289 2716 8392 6992 2615 2657 7608 7665 8244 2781 7588 3361 7558 2763 8349 2611 7802 2545 7077 2563 8079 7636 2544 7271 3198 6938 3196 343.3044 *343.3771* 343.3771@4.228295 8440 6799 11006 9954 9485 9794 8660 7554 8734 8140 7327 8424 10680 10829 7739 7813 1 1 1 9804 8917 7935 5965 4652 9979 1 9653 9022 10285 7888 8172 9489 6778 4835 1 6764 7103 9753 7045 1 8792 6394 8459 7117 1 5061 1 1 1 4929 3636 1 3801 1 1 1 1 1 1 1 1 1 3201 1 1 1 3084 1 1 1 4810 1 3926 1 1 1 1 1 1 1 1 3163 1 1 1 1 1 1 1 1 343.3771 *343.7608* 343.7608@4.229435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1128 1 1029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.7608 *343.7762* 343.7762@4.228489 1 1 1193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.7762 *343.789* 343.789@4.2288904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.789 *343.7956* 343.7956@4.2270093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1325 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1214 1 1 1 1 1 1 1 1 1 1 343.7956 *343.8173* 343.8173@4.229815 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.8173 *343.8379* 343.8379@4.2311563 1 1 1 1 1 1 1 1118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.8379 *343.8607* C10 H Cl N2 O2 S4 10260 9813 8394 1 9640 9354 9712 9253 9320 9034 10060 1 1 9598 10200 1 10192 1 8887 9918 1 9390 1 8713 9011 9227 1 8237 9065 9015 9159 8476 10091 9551 9110 8991 9336 9673 9488 1 8457 8738 9068 1 1 9068 9363 9166 9738 9212 9715 9500 1 8688 9694 9754 10293 1 1 1 10748 9256 8655 8598 9209 8984 8839 1 8181 1 8183 8586 9201 1 8892 8431 8915 8672 8968 9212 8873 8721 9482 8411 9075 9102 8562 8499 9221 8516 343.8607 *343.869* 343.869@4.2278485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.869 *343.9429* 343.9429@4.2316885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.9429 *344.1212* 344.1212@5.2694607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3454 2725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.1212 *344.1221* 344.1221@3.022258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.1221 *344.1315* 344.1315@7.4082227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.1315 *344.1503* 344.1503@1.246547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1343 1382 1 1 1 1 1 1 1 1 1 1 344.1503 *344.1798* 344.1798@5.6129775 1 1 1 1 1 1 1 1 1 1 1148 1 1 1 1 1 1 1 1635 1772 1 1 1 1 2919 1 1 1 1 1 7557 1 1 1 1 1 1 1 1324 1553 1 1 1 1 2017 2160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3148 3652 1 1 1113 1059 1 1 6727 1 2537 2290 1 1 1 1 1627 1555 1 1 1 1 1 1 1 1 1 1 1 1 344.1798 *344.1908* 344.1908@5.612865 1 1 1199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.1908 *344.2218* 344.2218@10.714604 8603 1853 1 1 1 1 1 1 1 1 1 1 1 1611 4639 1 1997 1 1 1 1 3513 1 1 1 1 1958 1 1 1 1964 1 1 1 2328 1 2753 1 1 1 2556 4066 1 1 1 1 1 6610 1 1 1 1 1 3493 1 1 1 1 1 1 3872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1861 5437 1 1 1 1 4456 1 1 1 1 3918 1 1 344.2218 *344.2224* 344.2224@4.3330727 1 1 1372 1 1 1 1262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1414 1 1 1 1 1 1 1 1 1 1 1 1500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1815 1 1 6379 1 1 1 1 1 1147 1 1 1476 344.2224 *344.2227* 344.2227@10.721954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.2227 *344.2447* 16beta-Hydroxystanozolol 3229 3213 3303 2686 3284 4129 2824 4825 3042 4680 3105 3857 3021 4860 3071 3355 3598 3275 2961 3878 2893 4218 3184 5031 3193 3654 3386 4278 4215 1 3439 3557 3391 3343 2681 3632 3508 3578 3354 3584 3287 2884 2879 3148 3096 2495 1 3418 2502 2638 2918 2265 1 2946 2202 2472 2142 2870 1 1959 2106 1906 1899 2718 2276 2733 1915 2104 1 1844 3010 3275 2038 2855 2355 2630 2655 2002 2543 2106 1894 2533 3412 1861 2026 1 2220 2256 1 2039 344.2447 *344.2508* 344.2508@8.428486 1 1 1 1 1 1 1 1 1521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.2508 *344.2586* 344.2586@8.424253 1 1 1285 1 1014 1272 1 1002 1 1 1 1 1 1048 1089 1060 1 1 1 1 1 1 1 1 1 1013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.2586 *345.118* Asp Asp Pro 3258 3656 2207 2499 1495 1258 1642 1927 2850 2865 1325 2042 2375 2755 1672 1628 2182 2146 2878 2589 1620 2488 2962 1702 1299 1635 1858 1237 1083 1 2499 2359 2502 2717 3015 2792 3198 2817 3213 3239 3009 3088 2003 2638 1759 2402 3459 3318 1442 2171 1554 1800 3233 2808 2303 2340 1991 2132 2791 2880 2093 1852 2617 2364 5007 4700 1124 1229 2072 2273 2879 2793 2403 2557 1892 2323 2424 2577 1 1 2340 2282 2321 2042 3536 3496 2372 2136 2029 3010 345.118 *345.1277* 345.1277@1.2490474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1560 1 1 1 1 1 1 1 1 1 1 1 345.1277 *345.1645* 345.1645@2.243975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2544 2469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 345.1645 *345.2317* 345.2317@10.674689 2556 1 1 1 2020 1 3368 1 1 1 1 1 2214 1 1 1 1 1 1 1 3235 1 1 3014 1 3538 1 1 1866 1 2497 1 2199 1 1 1 1 1 1 1 1 1 1 1 2366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 345.2317 *345.2374* 345.2374@1.0330088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1256 1085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1073 1529 1 1 345.2374 *345.2697* 345.2697@12.680102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 345.2697 *345.2752* 345.2752@13.088939 1 6649 1 11603 1 1 1 1 6503 14217 1 1 1 1 1 9436 4830 13419 1 8474 1 1 1 1 1 1 1 1 1 1 1 6317 1 1 1 12643 1 1 1 1 1 1 1 7479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2058 1 5984 1 1 1 1 1 1 1 1 7762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3041 1 1 1 5085 345.2752 *345.2765* 345.2765@13.116798 1 1 1 1 1 1 7530 1 1 1 1 1 1 1 1 1 1 1 1 1 2195 3446 1 1 5954 1 1 8801 1 1 1 3668 1 1 1 1 1 1 1 1 1 2730 1 3593 1 1 2377 4174 1 2274 1 3154 1 1 1 1 1 1 1 1 1 1 1 1175 2216 3238 1 1 1 1 1 1 2165 1 3416 1 1 1 1 1 1 2044 1 1 1 2173 1 1 1 3402 345.2765 *345.278* C20 H40 Cl N O + 13.099458 1 1 1 1 10487 6681 1791 16685 10585 6067 12834 10718 10133 7176 13083 1259 1 5758 1 1581 5564 4735 9059 1 3034 9220 9525 5160 16564 11492 10330 3076 16374 1 10058 5447 11221 7996 1 18977 2288 9013 1 4062 3484 11674 6394 4956 8244 3764 6611 8949 10917 11565 6143 17112 5846 7115 8753 2254 2799 5645 17315 12575 1701 8559 2879 15365 3848 2911 1 1 9863 1 10353 1 16865 2431 6229 7735 1 2635 6384 4997 12942 9565 1 1 1 8570 345.278 *345.2787* C20 H40 Cl N O 1 1 1 1 1 6577 1 1 1 1 1 1 8239 1 1 6142 1 2794 1 8111 1 1 8634 1 4851 8749 1 3061 1 1 1 4161 2723 1 1 1 1 1 1 1 7766 1 1 3162 4893 1 7464 1 1 9475 1 5457 1 3277 1 1 2077 4678 6000 14866 6912 1730 1 1625 4514 1876 1 1 15713 1 1 3287 1 1 6012 1 1 1 1 1 1 5313 5452 8270 1 3401 1 1 1 2589 345.2787 *345.2912* 345.2912@10.354116 1 1 1 1 1 1 1173 1 1 1150 1 1 1 1 1 1 1 1 1 1 1 1 1 1194 1 1 1090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 345.2912 *345.298* C18 H39 N3 O3 7131 6658 6238 6517 6414 6361 5983 5485 5898 5991 6966 6149 6300 6835 7406 6412 6864 7028 6590 6718 6337 6873 6555 6468 7042 6371 6116 6248 6379 6331 6056 6099 6449 6225 5712 6487 6337 5810 6664 6094 6373 6632 6263 6621 6858 6195 5747 5424 5176 4256 5322 5616 5993 5239 4921 5090 5010 5324 5716 5347 5477 5362 5261 5615 5294 5758 4700 5382 4598 4605 5234 5223 5419 5188 5593 5340 5400 5733 5740 5456 5556 5613 5573 5475 6033 4978 4723 4600 5295 5131 345.298 *345.8536* C7 H4 Cl2 N2 O2 S4 5096 5152 1 4562 4828 5445 4344 4402 5332 5244 4476 5006 5265 5074 4958 4816 5376 4973 5010 4811 4493 5209 5084 5221 5146 4923 5023 4475 4888 4487 4205 4512 4983 5062 4744 5048 4503 5248 5227 4989 4765 4703 5270 4846 4551 4890 4866 5153 4943 4813 4816 5370 5184 4661 5055 4857 4698 4735 4737 4576 4900 4546 4838 4673 4932 4463 4967 4528 1 4912 4438 4892 1 4516 1 4135 4822 4683 4490 4959 4274 4975 5404 4778 4345 4510 4578 4291 4926 4835 345.8536 *345.9571* 345.9571@0.795512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1402 1 1 1 345.9571 *346.0734* 346.0734@0.90542316 1 1 1 1 1216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1101 1375 1092 1 1 1 1399 1 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.0734 *346.0801* 346.0801@5.2662673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16169 15974 1 1 1 1 346.0801 *346.1081* 346.1081@1.2389889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.1081 *346.1337* 346.1337@2.9625769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1313 1461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.1337 *346.1386* 346.1386@1.2405468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10867 11185 1 1 1 1 1 1 1 1 1 1 346.1386 *346.1623* 346.1623@9.479015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1062 1184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.1623 *346.1758* 346.1758@9.2736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.1758 *346.2231* 346.2231@6.958637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2695 1 1 1 1 1 3216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1265 1 1 1 1 1 1 1 346.2231 *346.2745* 346.2745@13.082356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.2745 *346.303* 346.303@13.945003 1 1 2180 1 2237 1 1 1 1 1 9035 1 1 2323 1 1 1 1 1 1 2331 1 1 2622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1380 1 1 1 1 1 1 1 1 1 2229 1 1 1939 1161 1 1 1 1 1 1 1 1 1119 1 1 1 1 1 1 1 1 1 1095 1435 1 1 1 1 1 1 1 1 1 1 1260 1 9344 1 1610 1 1 346.303 *347.075* 347.075@0.8510283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2341 2397 1 1 1 1 1 1 1 1 1 1 347.075 *347.2325* 347.2325@8.256012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4935 2948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 347.2325 *347.2786* 347.2786@13.060653 1026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2096 1 2026 1 1 1 1 1 1 1 1 1 1263 1 1 1691 1 1 1 1 1 1 1 2072 1 1698 1 1 1 1 1 1 1 1 1 1555 1 1 1 1 1 1 1829 1 1 1463 1 1 1 1761 1745 1974 1 1 1 1 1 1 1 1326 1 1 1 1 1 1698 1 1180 1 347.2786 *347.3022* 347.3022@13.605402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2041 1 1 1 1 1 1 1 1 1 1 1 3014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 347.3022 *347.8409* C8 H6 Cl2 O S5 3482 3584 1 3400 3419 3481 3418 3651 3300 3930 3565 3623 3870 3752 3926 3611 3594 3942 3388 3935 3701 3439 3920 3644 1 3521 3513 3793 3646 3552 3585 3648 3697 3687 3692 3640 3271 3626 4037 3418 3652 3562 3572 3657 3712 1 3934 3760 1 3682 3747 3527 3625 3601 3822 3551 1 1 3385 3363 3472 3385 3566 3362 3112 3397 3491 3771 3456 3543 3179 3420 3765 3333 3345 3555 1 3742 1 3553 3480 3588 4140 3543 3621 3922 3345 1 3527 3424 347.8409 *347.9825* 347.9825@9.208567 1 1 1 1473 1 1416 1 1 1 1 1235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1439 1 1 1 1 1 1 1 1 1 1 1 1 1 1453 1 1023 1 1 1 1 1 1 1 1 1542 1 1 1452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1231 1 1 1848 1293 1 1 1 1 1 1 1 1 1 347.9825 *348.0778* 348.0778@0.90799886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.0778 *348.0863* 348.0863@0.90302193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.0863 *348.0935* 348.0935@0.90500456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 1 1 1 1 1 1 1 1 1 1 1 1 1053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.0935 *348.1014* 348.1014@0.90233845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1198 1 1 1 1348 1 1 1291 1 1 1 1 1 1406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1603 1 348.1014 *348.1036* 348.1036@3.1346922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2216 2019 1 1 1 1 1 1 1 1 1 1 348.1036 *348.1132* 348.1132@0.902004 1 1 1 1 1 2195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.1132 *348.1136* Camptothecin 12936 15179 16603 11967 14513 12984 13605 13669 10551 13982 13717 9209 10369 14540 11205 11302 15202 14388 14632 13062 11683 10273 14474 13963 11666 14510 8268 15036 14980 15319 11487 13999 15263 14389 9915 14115 14707 9144 15306 15387 13835 14695 13230 11367 15735 10178 7519 11862 12968 13687 14067 14501 9761 13927 12790 13199 4801 8375 13843 14734 11383 14611 12090 13590 12464 13938 13184 13261 9947 13289 13018 9688 12227 8558 9903 9667 9069 12653 9947 3713 9427 13049 8730 13604 9762 13429 12321 12313 12527 13204 C01897 348.1136 *348.1139* 348.1139@13.069631 1 1 1 1 1 1 1 1 3327 1 1 4509 3817 1 2862 1 1 1 1 1 3508 3354 1 1 2754 1 4418 1 1 1 1 1 1 1 4020 1 1 6302 1 1 1 1 1 4835 1 3764 3067 1 1 1 1 1 3122 1 1 1 1 4447 1 1 1 1 1 1 1 1 1 1 1 1 1 2768 1 1 4313 4174 3364 1 3638 8495 4298 1 1 1 3596 1 1 1 1 1 348.1139 *348.1141* 348.1141@11.030231 1236 1 1254 1 1 1 1 1 1 1266 1363 1 1 1 1 1 1 1 1638 1 1 1 1 1 1 1 1452 1 1895 1 1 1428 1545 1 1 1 1726 1 1 1 1525 1 1 1616 1 1 1 1 1 1 1 1 1 1028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.1141 *348.1313* 348.1313@4.5616617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1904 2162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.1313 *348.1337* C22 H20 O4 2958 3065 3000 2480 2851 3061 2393 1 2911 3145 3056 2893 3040 2994 2934 2741 3169 2715 2929 2576 2695 2839 2539 2655 3359 3018 2957 2985 2893 1 3170 3205 2647 2974 2784 2874 2672 1 2967 3236 2666 1 2824 2951 2685 3238 2644 1 3041 2674 2481 1835 2481 2169 2391 2134 1602 2527 2125 2344 2400 2343 2098 2263 2399 2406 1990 1869 2338 2377 2271 2045 2423 2403 2029 2138 2374 1 2630 2295 1 2631 2237 2454 1 1844 2380 2528 2295 2594 348.1337 *348.173* 348.173@10.667324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.173 *348.175* 348.175@4.2242403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.175 *348.1754* 348.1754@10.690021 1 5240 1 2957 5386 8083 1 1 1 1 2675 1 1 6410 1 1 1 5121 6056 1 5896 7173 1 1 1 5868 5100 1 10814 1 1 1 9195 1 1 1 4981 3645 3479 5186 2346 2470 1 1 1 1 1 1 6294 1 4593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1552 1 1 1 1 1 1 1 1 348.1754 *348.1786* 348.1786@4.917447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.1786 *348.1797* 348.1797@10.672717 1720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.1797 *348.218* 348.218@5.3947244 1 1 1690 1661 1039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1017 1750 1075 1 1 1655 1056 1 1 1 1 1 1 1 1 1 1 1 1 1 1116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1378 1260 1183 1 1 1 1 1 1189 1088 1 1 1 1 1 1 1 1 1 1 1 1 348.218 *348.2218* 348.2218@7.824271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1184 1223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.2218 *348.2269* 348.2269@13.88773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2563 1 1 1 1 1 1654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1515 1 1 1 1 1651 1 1 1 1 1 1 1 1 1 348.2269 *348.2321* 348.2321@13.88507 1 1 1 1 1 1039 1 1 1 1 2016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.2321 *349.0785* C13 H15 N7 O S2 2333 2502 1418 1398 1686 1967 3310 3399 2701 2532 3215 3332 2749 3356 3893 3217 3875 3320 4247 4002 2510 2561 3093 3035 1609 1731 2472 3266 1607 2023 3714 3967 2788 3122 3525 3251 3731 3088 3665 3448 4519 3856 1982 1748 1451 1365 3027 2201 3224 3464 3231 2897 2555 2214 1138 1063 1063 1221 2311 2571 1988 1995 1389 1526 2853 2870 3481 3907 2459 2130 2300 2479 1841 1868 3059 2918 2643 2013 1390 1510 3067 2487 1565 1604 2831 3295 1760 1965 2158 2107 349.0785 *349.114* 349.114@3.269292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1281 1325 1535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1995 2012 1 1 1 1 1 1 1 1 1 1 349.114 *349.1156* 349.1156@13.023011 1 1 1 2622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.1156 *349.1473* 349.1473@1.2225459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2181 2077 1 1 1 1 1 1 1 1 1 1 349.1473 *349.1501* 349.1501@0.91799766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1313 1018 1 1 1382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.1501 *349.1561* 349.1561@4.283538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33907 34443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.1561 *349.1566* 349.1566@0.9160018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.1566 *349.289* 349.289@11.995437 1978 1 1447 1908 1888 1323 1 1979 1914 1571 1330 1 1 1811 1708 1 1453 1 1555 1 1529 1 1397 1 1712 1426 1944 1507 1633 1691 1562 1194 1432 2015 1 1361 1482 1374 1379 3727 1201 1 1 1 1 1567 1908 1518 1463 1 1449 1 1 1 1134 1 1 1317 1 1 1408 1 1105 1154 1 1144 1 1 1 1 1 1 1 1687 1 1 1 1 1 1 1177 1 1 1 1 1428 1 1 1 1248 349.289 *349.2973* 349.2973@13.990092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.2973 *349.3023* 349.3023@13.993272 1 1440 1924 1 1911 1 1 1 1 1 1 1 1 1631 1 1 1 1656 1 1154 1 1897 1 1 1 1754 1 1 1 1 1 1319 1477 1 1 1727 1 1 1 1 1 1669 1 1360 1192 1912 1796 1 2035 1 1535 1 1 1 1772 1 1451 1 1303 1 1 1 1700 1 1 1 1525 1 1 1 1 1 1 1 1 2261 1818 1423 1657 1852 1 1 1685 1968 1458 1 1585 1608 1752 1 349.3023 *349.3146* 349.3146@13.127277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.3146 *349.3149* 349.3149@12.578065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.3149 *349.3152* 349.3152@12.860584 2090 1 1 1951 1 1 1 1 1481 1138 1377 1 1 1 1 1058 2872 1 2901 5653 1 1 1 1946 1592 1 3798 2516 1088 1072 1 1975 1120 1 2721 3450 2536 1649 1 3867 1 1 2166 1097 1 1 2698 2105 1 1514 1 1 1 1 2333 1 1098 1 2920 1161 1 1 1908 1515 1 1 1700 2892 1 1 1 1 2558 1 2939 1 1910 1369 1 1 1 1 1 1 1 1 1537 1 1795 1 349.3152 *349.3153* 349.3153@12.656094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.3153 *349.3157* 349.3157@12.667727 1 1 1 1795 1 1 1 1 1 1 1 1 1 1 1 1412 1 1 1 1 1 1 1 1 1 1 1 1 1 2127 1 2348 1433 1 1 1 1 2697 1 1 1 1 1556 2592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5041 2043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.3157 *349.3157* 349.3157@12.936053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1407 1 1 1420 1 1 1 1 1 1 1 5194 1 1 1 1 1934 1845 1 1 1 1 1951 1 1 1 1 2215 2323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2794 1 1 1 1 1 1 1 1 1 1 1 1 1347 1 1 1 1 1 1 1 1 1 1 1 1 1 349.3157 *349.3162* 349.3162@13.039714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1997 1 1 1 1 1 1 1 1 1 1 1872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.3162 *349.3169* 349.3169@13.352215 2902 4440 2550 2560 2689 3836 2930 2946 2135 5251 2589 3919 3002 2664 5159 3638 4019 2663 2797 3246 1 1 3515 3154 4288 3447 3771 3838 3047 3283 3306 3656 3850 2620 1 3412 3468 3205 3267 2905 3487 3401 3619 4171 3548 3266 4281 3336 3027 3234 4580 2703 2859 2873 3343 3833 2706 2809 2545 3914 2776 2757 3653 3267 2267 3189 3395 1 2767 3628 4023 2972 3260 2296 3135 2388 2154 2313 3192 3223 2657 3586 2932 1 3017 2180 2965 2938 3303 2847 349.3169 *349.8137* 349.8137@0.8395073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29645 1 1 1 1 1 1 1 1 1 1 1 24696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.8137 *349.8216* C7 H4 Cl2 O2 S5 1 1463 1 1511 1534 1500 1 1 1609 1 1718 1 1 1522 1460 1 1 1 1 1595 1 1 1617 1347 1 1385 1620 1836 1 1641 1 1 1 1 1 1 1 1 1 1682 1 1 1 1 1537 1 1 1671 1219 1329 1 1596 1 1520 1811 1 1 1 1328 1461 1503 1 1 1 1200 1 1 1 1428 1775 1 2255 5919 1 1 1 2346 1 1 1541 1 1 1500 1 1 1470 1418 1461 1 1 349.8216 *349.8255* 349.8255@0.8370043 1348 1 1 1 1 1 1 1 1 1754 1 1 1799 1 1 1 1830 1 1 1 1719 1 1 1 1 1 1 1 1685 1 1646 1 1281 1 1674 1 1 1 1531 1 1 1561 1426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1545 1 1 1 1609 1479 1628 1 1 1754 1 1 1 1603 1 1 1 1 1 1 1365 1671 1 1 1 1 1555 1 1 1 1 3445 1367 349.8255 *349.979* 349.979@9.208937 1 1385 1 1 1 1177 1 1 1 1 1 1 1 1 1483 1400 1542 1260 1 1 1224 1602 1 1322 1 1 1 1958 2003 1353 1821 1 1 1315 1 1 1 1 1376 1 1 1139 1222 1 1 1736 1 1 1 1 1 1 1543 1 1195 1 1 1148 1040 1 1 1140 1 1 1 1 1 1 1 1 1 1 1 1 1202 1 1 1 1 1890 1082 1 1 1 1 1 1 1048 1 1 349.979 *350.048* C25 H6 N2 O 2753 3233 2646 2947 2569 2441 2374 2521 2302 2770 1 3171 4593 4652 4897 4628 2544 2403 3618 2636 2798 3043 1403 1588 5290 5097 1673 1623 1936 1926 2378 2255 2216 1905 3685 3380 2661 2280 5308 5109 2933 3042 2661 2496 2368 2429 2436 2700 2138 2219 2732 2984 2811 2638 3196 3228 3698 3734 2060 2670 2578 2646 2360 2475 2064 2617 1911 2169 1810 1876 2142 2318 2706 3043 3220 2580 3025 3196 1 1 1826 1579 4285 3799 2602 2540 2507 2416 2089 2319 350.048 *350.0931* Penicillin V 1430 2049 1645 1825 1704 1630 1733 1603 1712 1700 1699 1656 1644 1652 1361 1722 1734 1453 1749 1338 1620 1863 1772 1652 1984 1633 1683 1593 1573 1553 1374 1514 1621 1684 1 1567 1367 1633 1716 1599 1649 1587 1547 1591 1634 1427 1387 1403 1591 1651 1256 1535 1255 1570 1449 1526 1289 1476 1219 1461 1696 1372 1222 1585 1447 1113 1524 1603 1609 1343 1389 1485 1767 1278 1318 1504 1423 1618 1276 1328 1413 1200 1245 1305 1325 1317 1506 1505 1 1322 C08126 350.0931 *350.1194* 350.1194@0.99864984 2566 2400 1393 1180 1 1 1 1 1932 2111 1 1 2288 1732 5258 5638 1120 1194 1 1 1 1 1148 1 1803 1761 1 1673 1094 1 1 1 1 1 1 1 1479 1570 1197 1223 1 1 1 1 1621 1780 1 1294 1788 1734 1 1 1 1 2499 1734 1 1 1 1 1 1489 1 1 1 1 1 1 1 1314 2456 2424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.1194 *350.1215* 350.1215@2.244991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.1215 *350.1328* 350.1328@0.9009902 1 1 1 1 1016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1163 1402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.1328 *350.1362* 350.1362@0.9039793 1 1 1 1 1 1081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.1362 *350.1508* C11 H18 N12 S 14122 14840 14776 16112 14702 14860 18249 18668 18818 19598 14359 14646 15404 15151 11442 11344 15294 15916 15132 15639 16644 16522 19867 20267 13826 12754 15963 14979 13511 13079 11870 11262 13653 14220 17038 16879 26640 26189 17564 18505 16855 17150 17257 17066 19457 19835 18307 19413 14264 14193 21918 22132 24583 23268 18655 18653 15784 16787 27102 27217 28272 27917 15250 14970 11355 11751 8248 8703 14921 15874 29989 30632 21081 22239 15472 15598 19309 19138 15908 14729 10549 10861 18760 18496 24632 23227 15618 15404 26522 25837 350.1508 *350.2032* 350.2032@0.87568754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2427 2409 1 1 1 1 1 1 1 1 1 1 350.2032 *350.2126* 350.2126@14.869812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.2126 *350.2441* 350.2441@14.132177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.2441 *350.2445* 5a-Tetrahydrocorticosterone 1 2751 1759 1 2661 1210 1 1 1 1595 1337 2257 1 1 3037 2457 1 1629 6386 1774 3300 1717 1 2070 2354 1 2355 1 4645 1 1 2963 3144 2011 5178 1 2317 5858 1 1753 1 1571 2075 3573 5475 1 1703 1096 2764 1 1469 1 2150 2297 1 1 1498 1 2411 4295 1 1052 3785 6875 3529 1 3226 3992 1602 1 1 1 1 1197 1 1 5199 5623 2258 1313 1 1768 1201 4231 5040 2872 3558 6119 1420 3031 HMDB00449 350.2445 *350.2453* 350.2453@12.894911 1 1 1 1 1 1 1 1917 1 1053 1 1 1789 2303 1 3256 1 1 1 1 1 1 1 1600 1 1 1 3190 1 1 1 1 1 1 1 3437 1990 1526 1941 1842 1 1 2436 2478 1 1685 1 2542 1 1600 1 1 2684 1 1 4781 1076 1 2574 1 1 1632 1766 1 1 1 1 1 2648 1 1 1 1 2564 1 1 1917 1 1 2040 1 1379 1292 3129 1 1 1 1580 1 1 350.2453 *350.2462* 350.2462@13.032239 1 1 1 1 1 1 1 4543 1 1 1765 1 1 1 1703 1331 1 1 1 1 1970 1 1575 2008 1 1723 2566 1 3888 1 1 1904 1461 3269 1314 1747 2634 1 1 1 1864 1 1658 1 1 3569 1 1 2374 1 1 1837 1 1 1 3167 1028 1 1 1 1 1892 3447 1 1 1 1328 1 1 5673 2066 1 4526 1 2452 1 1 1 2419 1 1533 1 1 3290 1 3255 1 1 1 2074 350.2462 *350.2464* 350.2464@13.103128 1 1 1 1 1 1 1 1 1 1 1 5229 1 3052 1 1 1 1 1 1 1 1 1 1 1 4577 1 2382 1642 1 1 1 1 1 1 3244 1 1 1 3717 2132 1 3393 3355 1 2294 1 1 1 1 1 1 1 1 1 2690 2136 1 1 1 1 1 1 1 1 2888 1 3141 4012 1 1 3344 1 1 2742 1 1 1 1 1 1 4174 1 1 1 1 1 1 1 1 350.2464 *350.2481* 350.2481@13.038343 1 1 1 8961 1 1 1 1 1 1 2587 1 1 1 1 1436 2268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1797 1 1 1 1105 1 1 1 1369 1 1 1 1 1 1191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2163 1 1 1089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.2481 *350.2539* CARBETAPENTANE 1790 3077 2551 2609 2249 2734 2063 2843 3009 2676 3074 2682 2009 2758 2308 2935 2003 2930 2874 2970 2796 2987 3069 3130 3235 3064 3072 3178 2257 2532 3358 2813 2839 3015 2650 3336 3135 2693 2888 3523 2270 2319 2810 2805 2910 2851 2980 2471 2112 2468 2941 2284 2191 2697 2722 2010 2595 3064 3024 2052 2694 2418 2728 2254 2942 3000 2787 2744 3318 2249 2891 2774 2297 2764 2775 3334 2346 2656 2821 3559 3352 2664 2358 2283 2974 2977 2191 2668 2684 2169 350.2539 *351.1113* 351.1113@3.1385407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1431 1267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 351.1113 *351.2244* 351.2244@7.9350266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2780 3281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 351.2244 *351.2376* 351.2376@6.8042626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 351.2376 *351.2382* 351.2382@11.47184 1 1 1 1 1 1 1 1 1 1 1 1 1 1363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 351.2382 *351.24* 351.24@11.336421 1 1 1 1 1 1 1 1 1 1 1 1 1 1614 1555 1 1 1 1 1 1 1 1 2347 3477 1 1 1 1 1 1892 6010 1 1 1 1447 1 2172 1 1 1 1 3165 1 1 1 4528 1 1 1 1825 1 1 1 1 5550 2640 1 1 1 4167 1 1 1 1 1 1 1 5571 1 1249 1 1 1 1 1 1 2639 1 1 1 1 1 1 1 1 1 1 1 1 351.24 *351.2933* 351.2933@11.365463 1417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 351.2933 *351.8904* 351.8904@0.8542552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5660 1 1 1 1 1 1 1 1 1 5853 5642 1 1 1 1 1 1 1 4572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 351.8904 *351.8909* C9 H Cl O11 S 15225 18890 18800 14540 18159 14673 19390 15769 15723 20767 14800 14921 15733 20153 21473 19821 20573 15207 15566 16080 15702 14332 14583 18882 20588 21328 19695 19467 14559 14846 13958 14942 14784 15518 17309 20386 15059 9407 18469 14372 15774 15196 15134 19735 19469 20120 15546 9324 12350 15238 17707 14965 14881 17935 15427 21041 13509 19758 13913 14195 15318 14999 15723 20539 14866 19403 14677 14399 13888 15129 18582 17650 14859 19192 18960 14263 17618 17643 18649 14184 19608 14899 14970 14623 14258 14438 14899 19287 20488 14759 351.8909 *352.0899* 352.0899@0.9043352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1782 1 1 1 1 1576 1 1 2006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.0899 *352.0936* 352.0936@0.90933436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1561 1354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.0936 *352.1017* 352.1017@5.1302085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1827 2324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.1017 *352.1227* 352.1227@0.8255618 1 1 2350 2518 2694 2517 1 1 1 1 1 1 1 1 1485 1420 1 1 1 1 2390 2091 1823 2041 1 1 2453 2901 1255 1163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.1227 *352.1261* 352.1261@1.111494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2654 2866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.1261 *352.1602* 352.1602@6.497254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1699 1626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2479 3058 1 1 1 1 1 1 1375 1098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.1602 *352.1609* 352.1609@4.9801044 1 1 1 1 1378 1181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.1609 *352.208* 352.208@13.394168 1 1 1 1 1 1 1 1 1 1 1 1 1 2180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1635 1 1 1 1683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.208 *352.2114* 2-Pyrrolidinone, 1-ethyl-4-[2-[(2-hydroxyethyl)amino]ethyl]-3,3-diphenyl- (7CI,8CI,9CI) 2264 1487 1875 3361 2847 1965 3123 2181 2085 2833 1748 1 1836 1 1750 1 2359 2054 2701 1 2588 2270 1705 1948 1804 1 1670 2746 2652 1300 1 1461 1518 2710 1 1 1402 2477 1 2797 1658 1 1316 1621 1478 1 1 2728 3042 1395 1 1426 1 2251 1527 1744 1 3332 1 1758 1837 2084 2115 2373 1854 1 2245 1529 3077 1 2192 1 2040 2270 1 1799 1622 2736 2751 1 2812 2839 1987 2336 1 2649 2755 2518 1478 1 352.2114 *352.2171* 352.2171@13.370824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.2171 *352.2239* 352.2239@13.423088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.2239 *352.2406* 352.2406@11.049072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.2406 *352.2585* 352.2585@13.648475 1 1 1 1 1 1 1 1 19456 1 1 1 1 1 1 1 1 1 1 1 1 16822 1 1 1 1 1 1 1 1 1 1 1 1 1 1173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17949 1 1 1 1 1 1 1 1040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2020 1 1 1 1 1 1 1 1 352.2585 *353.0706* 353.0706@0.9005647 1 1 3810 1 1 4040 3095 1 4579 1 2016 1 1 2962 1 1 1 1 3806 5314 2617 3808 1 4015 2805 1 1 3048 3851 4251 1 1 3524 3165 1 1 1 1 1 1 1 1 4008 1 5728 1 1 1 4569 1 1 1 1 1 2490 3938 1809 1 6433 1 3135 1 1 1 1 2460 1 1462 1 4102 1 1 1 2181 1 1 1 1 1 6925 1 1 4360 1 1 1 4085 1 1 1 353.0706 *353.1439* 353.1439@5.133209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2061 1626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 353.1439 *353.2459* 353.2459@11.30271 1 1 1 1596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 353.2459 *353.2654* 353.2654@13.622776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 353.2654 *353.2772* 353.2772@10.331379 1 1 1 1 1 1 1 1 1 1 1 1624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2999 1 1 1 1 1 1 1 1 1 1 1 1 4466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 353.2772 *353.2773* C14 H31 N11 8430 8803 12670 12035 8013 8342 8425 8072 8647 7721 8213 6688 8032 7456 7875 7947 7458 8544 7685 8154 8125 7444 8303 7645 31218 30639 7990 8708 8414 7890 7868 8117 8309 7964 7906 8244 10038 9530 8625 8100 8183 7710 8191 8081 7437 7579 7590 4581 6676 7055 6901 6789 6751 6638 7362 7637 6796 6752 9255 9352 2922 5984 7632 6458 8044 7802 7778 7396 6981 7605 10321 9608 6615 7184 7421 6319 6808 6832 6893 6546 7469 6541 7050 7292 6523 6920 6594 6908 7524 7355 353.2773 *353.881* 353.881@0.89234 1 1 1 1625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1005 1007 1 1 1515 1623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 353.881 *353.8869* 353.8869@0.8417326 1 1 1 1 1329 4149 1 1 1 1 1 5572 4158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4198 1 1 1 1 2352 1 4797 4655 2368 4504 2320 4697 3881 1 1 1 1 5214 1496 2772 2576 2749 5330 2554 4962 1 2161 1 2901 2768 4192 4774 5312 1 4286 1 1 1 1812 1 1 1 1 1 1 1 1 1385 1 3676 1 1 2213 1 1 4841 1 1 1 1 353.8869 *353.8988* 353.8988@0.82137924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4445 1 4368 4262 1 1 1 1 1 1 1 1 4790 4782 5276 1 1 1 1 1 1 1 1 1 1 1 1 1 4994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3458 1 1 1 5198 1 1 3890 1 1 1 1 1 1 1 4053 1 1 1 1 1 1 353.8988 *353.9026* 353.9026@0.81945556 1 1 1 4121 1 1 1 4869 1 1 5390 1 1 1 1 1 1 5366 1 5220 1 1 5388 1 1 1 1 1 4790 1 1 1 1 5504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4810 1 1 3868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4638 1 1 1 353.9026 *353.9387* C19 H2 N2 S3 1 1 3948 3188 1 3089 1 3557 1 3344 2247 1 3504 1 1 1 1 1 1 3032 1 1 2982 1 1 1 3457 4073 1 1 3722 3660 3847 2402 1 3695 1 3745 4015 3028 1 3992 1 3217 3456 3309 3154 3712 1 3288 1 1 1 1 1 3474 1 1 3426 3426 4314 1 1 3993 1 4001 1 1 1 3956 1 1 1 1 2669 1 3840 3652 3053 1 1 3206 1 1 3415 1 3088 1 1 1 353.9387 *354.0506* C18 H6 N6 O3 2845 2839 2022 2212 1 1 2434 2704 2222 2653 2255 2042 2475 1966 2583 2597 2909 3298 2634 2463 2452 2492 1995 2212 2127 2300 1 1231 2237 2189 2533 2457 2761 2604 2152 2115 2406 2306 2058 1891 2169 2613 2383 1 1 1 2593 2167 2005 1833 2196 2314 2629 2789 2790 3141 3025 2706 2173 2172 2813 2506 3271 3251 1906 1923 2216 2180 2397 2498 1 1 2023 1991 1 1503 2032 1 1686 1687 2408 2336 2729 2647 1835 2286 1 2229 2221 2486 354.0506 *354.1003* 354.1003@0.89801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1041 1 354.1003 *354.1123* 354.1123@0.90101224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1080 1 1 1 1 354.1123 *354.1148* 354.1148@6.10038 1 1 4410 5367 1 1 1 1 1 1 1 1 1578 1625 1 1 10917 11364 1 1 9061 9965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3129 2889 1 1 1 1 6225 5518 1 1 1 1 14758 14430 1 1 60715 61504 1 1 1 1 1 1 1 1 1 1 7243 6432 1 1 1 1 1 1 1 1 11553 11383 1 1 1 1 1 1 5226 5560 354.1148 *354.1463* C25 H22 S 1700 1341 1564 1836 2113 1911 2007 2806 1488 1574 1555 1623 1911 2287 1607 1344 2256 2513 1839 1418 1844 2013 3822 4108 1 1 1 1 4518 4358 2867 2380 1484 1333 1310 1021 6104 7217 4508 4369 2035 1594 3191 2758 2760 2577 2730 1 2629 2154 1899 1848 2097 2167 2609 3119 1 1390 2407 2508 1391 1 2727 3030 1 1 1 1 1604 1553 4339 4965 1814 1 1399 1 1929 1844 3969 3321 2363 3356 3175 3657 3864 4477 1 1 2990 2469 354.1463 *354.1531* 354.1531@4.1897545 1 1 1 1 1 1 1 1 1 1 1 1 72131 73736 1 1 184455 184875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.1531 *354.194* 354.194@5.5113707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3264 3045 1 1 1 1 1 1 1 1 354.194 *354.2386* 354.2386@11.993131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1653 1410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2349 1 1715 1 1 1 1 1 1 1 1 1212 1 1 1 1 1471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.2386 *354.2419* 13,14-dihydro-15-keto-PGF2alpha 1709 1249 2569 1199 1 1356 1 1 1174 1477 1 1 1501 1329 1 1704 1506 1 1 1 1 1 1570 1 1437 1497 1 1 1 1413 2081 1558 1 1467 1757 1439 1305 1790 1499 1 1436 1417 1 1 1 1816 1 1579 1 1763 1 1 1562 1 1250 1209 1469 1 1 1 1 1311 1 1512 1216 1 1 1 1 1365 1 1 1 1 1 1391 2043 1268 1 1446 1025 1332 1240 1226 1281 1711 1180 1 1 1 354.2419 *355.0273* 355.0273@5.477994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1454 1752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 355.0273 *355.0947* 355.0947@0.90897816 1 1 1 1 1921 2284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 355.0947 *355.1334* 355.1334@3.2759466 1 1 1347 1117 1255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4936 5416 6155 6461 1 1 5512 5755 6941 6876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 355.1334 *355.1862* His Leu Ser 1792 1533 2003 2008 2093 2044 1705 1444 1746 1848 1812 1710 1900 1583 1397 1797 1606 1 1569 1737 1758 1744 1595 1377 1556 1644 1446 1520 1490 1386 1552 1456 1564 1558 1667 1580 1519 1570 1308 1262 1337 1391 1144 1282 1942 1921 2065 2340 2303 2269 2332 2335 2196 2421 1 2029 2047 1916 2393 1783 1645 2125 2031 2109 1903 1808 2055 1830 2075 1819 1663 1891 1924 1668 1731 1849 1750 1990 1765 1836 1737 1663 1873 1 1631 1716 1605 1586 1535 1673 355.1862 *355.1907* 355.1907@5.386536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 355.1907 *355.2728* C20 H37 N O4 10393 10045 11287 9732 2310 10133 9868 10190 10849 9887 10693 10323 10956 10308 10658 10908 9351 5275 10041 9472 9671 9952 9870 10352 10125 10782 8836 9516 10327 10081 10068 8886 10400 10066 10156 7761 10675 9373 9326 9742 10773 9340 10014 9882 9044 7389 6074 7312 6561 6644 6167 6285 6390 5949 6576 6446 6008 5789 5869 6338 6694 5946 5659 5953 6223 6842 6075 6091 6241 6197 5773 5774 5755 6219 5224 4854 5732 6728 5735 6503 1527 6311 6106 6466 6313 5947 6211 5784 6161 5721 355.2728 *355.2732* 355.2732@11.450001 1 1 1 1380 8489 1 1 1 1 1 1 1 1 1 1 1 1 4774 1 1 1 1 1 1 1 1 1384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1247 1 1 1 1 4935 1 1 1 1 1 1 1 1 1 355.2732 *355.3392* 355.3392@12.704245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 355.3392 *355.3444* N-(2-hydroxyethyl)icosanamide 1 1261 1084 1522 1639 1 1 1 1 1 1443 1198 1 1632 1260 1813 1 1 1 1453 1 1 1 1455 1578 1711 1462 1612 1554 1466 1 1755 1 1 1548 1507 1 1 1 1 1 1412 1 1 1676 1 1494 1 1413 1 1186 1 1 1050 1 1 1 1 1 1295 1770 1 1 1 1 1255 1 1613 1 1398 1422 1633 1411 1 1 1471 1 1334 1466 1 1486 1 1322 1380 1143 1916 1412 1367 1 1579 355.3444 *355.8795* 355.8795@0.84434026 1 4233 4710 1915 1 5082 1 1 1 1 1 1 1 5571 1 1 5384 1 1 1 1 1 1 4898 1 1 1 4360 1 1 1 4655 1 1 1 1 1 1 1 1 4439 1 1 1 1 1 1 1 1 1 1 1 3035 3296 1 5744 2633 1 4899 3836 1 6139 1 1 1 1 1 1 1 1 4307 1 1 1 4689 1 1 2604 1 3466 1 5825 1 1 1 4669 1 1 1 5969 355.8795 *355.8807* C11 H2 Cl2 N4 S3 6433 1 1 4427 6142 1 5759 5920 1 5218 1 5625 5621 1 1 6115 1 5275 5798 6183 6376 5882 6019 1 5886 1 5889 1 5747 6295 6382 1 6042 5572 5692 6077 1 6447 2971 6156 1 5764 5754 5886 5688 5041 5544 6098 5525 5542 1 1 3822 3059 6227 1 2639 6066 1 1 1 1 5876 6274 1 1 5651 5505 1 5746 1 6070 5626 6104 1 6154 4552 3752 1 2886 6237 1 5887 1 6240 1 6086 1 1 1 355.8807 *356.1004* C21 H21 Cl O S 2022 2371 1 1 3061 2195 1493 1382 2362 2112 1 1 1761 2077 1 1 1 1 1303 1 1 1 4171 1 1623 1751 1208 1070 1191 1131 1 1 1720 1524 1239 1309 2946 3781 1 1 1469 1767 3745 4427 1717 2034 1 2834 1391 1035 3373 2964 3445 2361 1728 1806 1 1 1138 1275 3004 3331 1262 1369 3626 3389 1180 1171 2117 1999 1 1 1127 1102 1 1 1621 1704 1 1 2651 2222 1 1 1 1 1549 2142 2231 2885 356.1004 *356.1201* 356.1201@6.8115306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13371 14045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.1201 *356.1304* Gln Ser Thr 1606 1873 1 1 1283 1165 2071 2655 2305 2340 1 1 1495 1 1987 1752 1885 2482 1903 1825 2312 2335 2174 2189 1490 1463 1 1 1891 2161 1909 1884 1739 1763 1 1 3003 2820 1169 1493 1804 1611 2120 1865 3241 3665 4795 4386 2726 2832 2339 2218 2103 1 2321 2272 2220 1545 2484 2056 1925 1771 1417 1739 1622 1 1 1 1 1 1402 1654 1551 1718 1 1 1511 1450 1 1 1 1869 1726 1891 1 1216 1 1 1909 2454 356.1304 *356.1391* 356.1391@10.103182 1 1 1 1 1 1 1 1 1 2561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.1391 *356.1399* Desmethylthioridazine + 10.251241 1 2651 2672 2886 2418 1297 2310 2708 2369 1104 2092 2358 5985 1 3542 2578 1 1 1315 1704 1 2377 1896 2847 2557 2654 2113 2082 3186 2795 2670 2504 3468 2257 1 4302 2703 3213 2346 2558 2476 2607 2444 2674 1 2115 2131 5758 2009 2066 1432 1795 1578 1780 1480 1851 1274 2767 1 1 1487 1059 1649 1 1679 1 4156 4585 1 2735 1 1150 1 1 1869 3385 1 1 1617 1 2610 1 1815 1460 4488 1 1 2483 1490 1 356.1399 *356.14* 356.14@10.15018 1 1 1 1 1 1 1 1 1 2080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.14 *356.1401* Desmethylthioridazine 1 6341 6630 3963 3322 1436 2561 6665 6958 1751 6327 6486 2643 1 3951 6792 3429 3798 6330 1240 2156 2709 4740 2824 6672 2368 3949 3000 3398 6323 3355 6192 3093 1 7002 2103 4064 3338 6474 1850 6969 6442 1290 6401 1707 6461 6378 2195 5957 3070 3528 3017 4937 1147 4896 2919 1761 1787 1 1 4399 3486 2693 4775 3059 4334 1408 1 4597 1976 4656 1506 1 4189 4127 1416 4568 4530 2124 3175 1779 4527 3040 3126 1411 4502 4720 1 4647 1530 356.1401 *356.1411* 356.1411@10.250609 1 1 1 2661 1932 1109 1 1 1 1421 1 1 1 1 2483 1 1 1 1 1768 1 3916 2312 1 1 1 2174 3427 2891 1 3366 1 2300 1 1 2697 1 2235 1 4747 1 1 1 1 1 1 1 1 1 2190 1 1641 1 1299 1 2026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1163 1 1 1 1239 1 1 1 1 1301 1 1 1 1 1 1 1 1 1 356.1411 *356.1444* Asn His Ser 1272 1374 1428 1722 1374 1169 1230 1309 1671 1643 1162 1426 1743 1958 1806 2317 1300 1605 1951 2012 1728 1 1320 1396 1152 1265 1680 1861 1142 1437 2116 2048 1 1997 1911 1914 2685 2360 2316 2288 2222 2210 2467 1951 2167 2030 1626 1 1 1964 2785 2580 2297 1946 1385 1615 2071 2122 1826 2043 1627 2008 1659 2087 1213 1 3280 3340 2038 1 2603 2294 1870 1930 1777 1839 2589 2682 1 1 1768 2086 1 2090 2165 2243 1819 1675 2235 2048 356.1444 *356.1542* 356.1542@1.2325463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1576 1730 1 1 1 1 1 1 1 1 1 1 356.1542 *356.1804* 356.1804@7.93621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.1804 *356.1956* 356.1956@6.8163447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1256 1429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.1956 *356.2253* 356.2253@5.015244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.2253 *356.2284* C14 H28 N8 O3 6250 5491 1139 1215 11125 11801 10057 1 8923 10309 9287 10214 11942 1 5701 6201 8201 8015 9053 8562 6644 6594 5982 5450 1 12754 1 20761 8136 7619 18872 1 5672 6163 7602 6352 10999 10307 10060 9067 9462 9361 1 12615 17681 1 8519 7935 6646 5888 3739 4312 1 8894 4033 4114 5217 5710 4276 4134 9440 9609 7078 7297 9074 9138 3555 3398 18230 17045 15441 15871 4773 5004 5036 4592 15100 1 13703 14004 4600 5323 4964 4413 6717 7153 4980 4724 3430 3902 356.2284 *356.232* 356.232@6.5415163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1773 2546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2448 2233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.232 *356.2419* 356.2419@1.0671349 1 1 1 1 1 1 1 2111 1 1 2789 1 1 1 1 1 1 1 1 2620 1848 1 1 1 1 1 3464 1825 1 1 1 1 1 1 1 1 2426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2251 1 1 1 1 1 1 1 3151 1756 3653 1 3712 2400 1 1 2597 1 1 1 1 1 1 1 1 1 1 1 1 1191 1 1960 1 1 1 1 1 356.2419 *356.242* 356.242@1.0740051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.242 *357.1061* 357.1061@3.2436452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12188 12098 357.1061 *357.2* Lys Asn Pro 1 8916 1 12319 1 1 9493 9539 9447 1 1 10263 1 1 1 8013 1 1 1 1 8844 8602 1 7788 9343 9085 1 10969 1 1 1 1 6675 6990 9518 9076 1 1 7703 7865 8188 8016 1 1 12110 1 8857 8809 6768 7282 6126 5721 7249 6944 6083 5868 6703 7400 6135 6377 1 1 7322 6756 8006 7575 5680 5262 9172 8520 9588 1 7015 6505 6369 6537 9282 9117 1472 1 1 9849 5784 5983 7721 7926 6787 6246 1 1 357.2 *357.2132* 357.2132@9.275931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1994 1876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 357.2132 *357.2333* 357.2333@11.542062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 357.2333 *357.2335* Oxybutynin 25262 1114 26530 1 1 19467 1 25521 1 26290 1 1 1 1754 23496 1199 5800 24206 1 1 1 18478 1 1 23559 1655 22293 1 4309 1 26215 4903 2526 1 1744 1 1 21291 18477 21602 1 1 1 20844 1 5771 23761 1 1 1 7510 1849 1 1 7734 1 11953 1 15792 8098 1 13900 6045 12809 20753 1 16522 1 17137 1 1 4980 1 5883 1 4116 1 1 1 3836 1 1 12853 4698 1 1 2713 1 19454 1 C07360 357.2335 *357.2341* C19 H35 N O3 S 3922 21841 1784 28049 27966 2204 22835 1 27385 1 23982 26070 26227 25850 1 26270 29508 3946 27769 22649 21499 5179 26315 27634 4986 22385 4763 21404 26968 20295 1 22944 25172 26615 19857 26441 27193 1 4099 5244 24611 26152 26793 4288 24363 19539 1 26122 22251 19889 16721 22530 21144 22066 10320 21091 3508 22480 5963 10085 22737 6652 14214 2972 1 17608 4950 18842 1 12872 15018 15375 18474 14919 19506 15611 16830 11387 20227 13365 19188 20025 5510 12998 11465 17962 17802 8802 1 17389 357.2341 *357.2344* 357.2344@11.358301 5478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9571 1 1 1 1 1 1 1 1 7893 1 1 1 1545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3173 1 1 1539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4216 1 1 1 2571 1 1 1 1 1 1 357.2344 *357.2346* 357.2346@11.480379 1635 4770 4566 3619 3821 4334 4633 4213 3935 4076 3039 2871 4212 4228 4872 3316 2527 4075 4838 2554 3584 4351 4190 4450 4457 5274 2754 3865 1209 3445 3636 1778 4004 4607 5066 4076 3490 4310 3383 4801 3710 3703 4647 4586 4554 3923 4969 3267 3655 2984 3904 3776 2996 2909 3262 3786 1991 2837 3631 3960 3292 2485 3773 3213 3900 3066 3908 2762 3755 3563 3608 3414 2606 3350 3434 3213 2389 1825 3396 5060 1 2837 2635 1557 1 2555 1 4447 3575 2045 357.2346 *357.2365* 357.2365@4.825409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1281 1 1 1 1 1 1 1 1 1 1 1 1 1 1606 1432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1314 1160 1 1 1 1 1 1 1 1 1 1 357.2365 *357.874* C6 H5 Cl3 O9 S 3645 3899 4198 1 3750 4176 3845 3859 4237 3906 3926 3745 3648 3758 3768 3821 3864 4215 3904 3639 3743 3557 1 3494 4158 4096 3962 3364 3980 3657 3752 3234 3756 4085 3686 3748 3967 4294 4005 3588 3614 3738 3774 3850 3659 3661 1 4123 3508 1 4017 3833 3877 3392 3731 1 2627 3803 3861 3517 1 3858 4237 4003 3527 3238 3319 3225 3653 3829 3695 3936 3641 3335 1 1 3487 3771 3760 1 3897 3847 3965 3641 1 3591 3437 3607 3371 3701 357.874 *357.8754* 357.8754@0.8230093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 357.8754 *358.0864* Mebeverine metabolite (Veratric acid glucuronide) 2172 2454 1 1 2116 1 2449 2509 2936 1 1 3122 1 1777 1995 1909 2390 2460 1945 1853 1 1936 1697 1 3184 2966 1208 1 2099 2289 1 1792 1880 2277 1818 2170 4405 3163 1 1 2821 2336 1955 2071 1831 2031 4652 4441 2799 2390 2997 3596 4230 4602 1 2892 1615 1 2960 2533 4467 5097 2787 3020 2465 1908 1 1 1909 1 1 1062 2647 2898 1959 1 1 2100 1 1850 1614 1 1715 1845 1844 1839 3154 2933 2127 2218 358.0864 *358.1004* 358.1004@0.9939624 2351 2779 1018 1047 1 1 2491 2604 3086 2891 1245 1323 1665 1735 1920 1861 2863 3168 3291 2333 1865 1860 1 1 1 1 2293 2522 1 1 1 1 1691 1635 1 1 1 1 2397 1451 3816 3824 2798 1 1625 3402 3966 2222 3035 1868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.1004 *358.1351* 358.1351@5.302966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3974 3384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.1351 *358.1351* 358.1351@6.198119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3462 3026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.1351 *358.1598* 358.1598@3.2420177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.1598 *358.1948* Arg Ser Pro 3062 1 2758 3010 3003 2128 3142 2825 2207 3411 2762 2956 1 3093 2692 2787 1 3132 2730 4634 1 2662 2969 3127 1 2806 1 3157 3414 3057 3045 1 2948 3376 2801 3132 2454 2844 2963 2649 3184 5640 2631 2738 2886 3159 2919 2870 3586 1 4841 3323 4882 3438 2845 3510 3071 3288 2602 1 3133 1 3217 2988 2637 5118 1 3103 3119 4526 3495 2647 3056 2727 4878 5124 3314 3229 5300 3428 3203 3048 2909 3150 1 3025 2863 3353 3216 4996 358.1948 *358.2032* 358.2032@11.30506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2859 1 1 1 1 3440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.2032 *358.2305* 358.2305@11.296458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1482 1 1 1 1 1 1 1 1 1 1 1 1314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.2305 *358.2365* 358.2365@11.237104 1 1 1 1 1 1 1 1 1 1616 2237 1 1 1 1 1 1 1 1 1 3935 1 1017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4333 1 1119 1 1 1 1 1 1 1 1 1 1 1 1 1 3319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2640 1 1 1 1 1 1 1 3088 1 1 1 1 1 1 1 1 1 2862 1 1 358.2365 *358.3079* 358.3079@14.83976 1 1 1 1 1 1 1 1 1 1 3100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.3079 *358.3082* 358.3082@14.701598 1 1 1 1 1 1 1 1 1 1 1022 1 1 1 1 1 1 2261 1 1 1299 1 1 1 1 1 1 1612 1 1 1 3311 1814 1 1 1 1 1 1 1822 1 1792 1 1 1 1 1 2413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1544 1 1 1 1 3062 2584 1 1 358.3082 *358.3087* 1-octadecanoyl-rac-glycerol 80380 78369 90463 82802 77806 61566 91613 91854 81539 79964 85059 87639 82047 81562 78955 82478 84968 84411 86149 82028 81147 78871 78945 72658 77887 77913 73027 76157 81760 79248 78940 75902 79497 82720 75149 74324 75318 71705 80329 79355 79643 78894 80048 66334 87868 84532 88638 86476 86839 85620 83863 82677 80583 82760 81783 84610 56086 81850 83607 79062 72654 73314 82179 83561 79100 78535 81429 83757 77134 82047 80548 82379 81169 80987 83822 82594 81083 82482 82037 80938 85092 89211 79221 80822 83100 80909 82130 78811 79331 68211 358.3087 *358.314* 358.314@14.442881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.314 *359.0277* 359.0277@3.4366605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1413 1346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.0277 *359.1425* 359.1425@0.9939057 1 1 1 1446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2544 2744 1 1 1 1 1 1 1 1 1 1 1344 1159 1 1 1 1 1 1 1 1 1 1 1041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3021 2504 1 1 1 1 1 1 1044 1012 359.1425 *359.1796* 359.1796@11.246914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.1796 *359.1828* Pro Pro Phe 2286 2411 2064 2104 1879 1040 1640 2180 2587 1842 1943 1894 1762 2166 1884 2802 1692 1677 2109 1 1891 2050 2099 2357 2188 1207 2261 1976 2097 2170 2147 2038 1990 1988 1 1 1 1 1755 1977 1980 1 1 1939 2352 1 2369 1994 1264 1761 1 1952 1248 2384 1 1549 2185 1273 2009 1007 2291 2221 1942 1749 1943 1 2439 1 1 1 1 1705 1838 1927 1 1 1898 1829 1 1547 2016 2374 2000 2617 1824 1847 1699 1802 1767 1 359.1828 *359.189* 359.189@11.316915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2149 1 1 1 1 1 1 1 1 2159 1 2429 2566 1 1 1 1 1 1 1 2209 1 1 1833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.189 *359.1925* 359.1925@3.6911037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.1925 *359.2163* 359.2163@4.0257 1 1 1 1 1 1829 1 1514 1 1 1 1681 1 1 1 1 1 1 1211 1 1 1 1 1 1 1 1 2226 1 1 1 1 1 1 1 1 1027 1 1 1 1 1588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.2163 *359.3187* (-)N-(1R-methyl-propyl) arachidonoyl amine 3644 4061 3635 5553 2153 1470 1226 1 3442 1 2338 1 6924 4668 1 2686 4697 1 1552 1377 2237 1604 1 4927 4503 4782 4308 2070 4821 1 3084 1 4610 1 1 1 1 1 2517 2616 1 1 3772 1 5185 1 1 3185 3729 3170 1 1590 1 1 1 1 1 1 1 1 1 1 3328 1519 1 1 1 1 2528 1 1 1 1 1 1 2920 1 1 2531 3573 1 1474 1 1 1 1 1 1 1 1292 359.3187 *359.3187* 359.3187@12.69122 1 1 1 1 1 1 4351 1 1 1 1 1 1 1 1 2610 1 1 1749 1 1881 1 1 1 1 1 1 2459 1 1 1 1 1 1 1 1 1 1 1 1348 1 1 1 1 1 1 1 1 1 1 1 2103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.3187 *359.3537* C25 H45 N 2834 3045 1053 2787 3014 2731 1014 1098 2870 1185 1 3371 2704 2783 1112 2642 2456 2128 2541 2431 2631 1 1618 2974 3256 2495 1173 1053 1263 2892 2849 1585 1059 1166 3021 1 1004 2889 2670 1193 1547 1099 2687 2399 2474 1 2470 2637 2662 2258 2161 2014 1303 1218 2876 2211 3063 2821 1207 2847 1617 2449 1061 3283 1151 3208 2875 3047 3236 2854 3123 1988 1197 1072 1915 1105 1322 1063 1269 1078 3142 1163 1004 3460 3318 1166 3262 2634 2681 3184 359.3537 *359.3543* 359.3543@12.550411 1 1 2951 1 1 1 2819 1436 1 1756 1 1021 1 1 2580 1 1 1 1 1 1542 1 1 1 1 1 2799 2954 2915 1 1 1 2824 1448 1 1 1542 1 1 3102 1 1 1 1 1 1 1 1 1 1 1 1 1 1288 1 1 1 1 1 1 1 1 3511 1 2334 1 1 1 1 1 1 1040 2587 1954 1 2367 2088 2521 2890 2968 1 2509 3125 1 1 3043 1 1011 1 1 359.3543 *359.3548* C25 H45 N + 12.878784 5042 5657 6538 5377 7195 6385 6705 5056 6062 4720 4675 6564 6309 6302 6655 6942 6283 5308 6387 5519 5253 5226 5092 6952 5531 6138 6214 5867 6184 6665 6657 5036 6523 5853 6274 4698 4939 6906 6460 6426 5747 5686 6202 6617 6393 5077 5576 5972 5921 5366 4829 6747 5291 5871 5468 5223 4465 6203 4976 5875 6129 6033 6730 5984 5349 6008 6163 6199 5689 5196 5959 5302 6234 5329 5288 6087 6942 6689 7507 5933 5253 5796 5428 6639 6425 5136 6697 6555 6085 6151 359.3548 *359.8598* 359.8598@0.82656795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1216 1387 1 1 1 1 1 1 1 1156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1288 1 1 1 1 1 1 1145 1 1 1 1 1 1 1 1 1 1 1175 359.8598 *359.8654* 359.8654@0.82200766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1479 1 1 1 1 1 1 1 1 1060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1333 1 1169 1 1 1 1 1 1 1 1 1 2319 1 1 1 1 1 1 1 1 1 1 1 1 1 2172 1 1 1 1 1 1 1 359.8654 *359.8744* 359.8744@0.8159926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.8744 *360.003* 360.003@0.8796076 1 1 1 1 1 1 1 1800 1 1 1053 1 1 1035 1 1079 1 1 1 1 1022 1081 1 1139 1 1 1 1 1 1 1177 1 1 1274 1 1 1409 1 1 1 1 1213 1 1 1497 1 1 1546 1 1 1 1830 1 1481 1 1100 1332 1331 1 1048 1 1 1 1 1 1102 1067 1 1 1 1 1 1468 1 1 1102 1 1 1 1 1 1348 1150 1 1 1 1 1 1 1 360.003 *360.0586* 360.0586@0.9050033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1805 1 1 1 1 1 1 1 1417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 360.0586 *360.0629* C14 H20 N2 O3 S3 2404 2687 3346 3288 3776 3209 1 1 1 1691 1 1 2147 2223 2091 2000 1 1 1322 1511 3365 3375 1 1 1 1 2374 2039 1 1 3175 2991 1 1173 2561 2758 1 1 2604 2583 1961 2044 1460 1408 1 1729 2240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2112 1 2870 1 1 1 1 1 3848 3991 1 1 4548 4067 1 1 1 1 1 1 1 1 1 1 360.0629 *360.0714* C16 H24 O S4 1 1 1 1 1 1 1 1658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4219 4486 4599 4707 1 1 4026 3626 1 1 1 1 1 1 4576 4654 1 1 1 1 1 1 1389 1 1 1 1048 1180 4536 5179 3730 4146 4200 2935 2374 3266 5652 3168 2204 2411 3292 3380 2808 2890 1 2003 1 3084 1124 3589 3467 1 1 1 3152 3100 1 1 4065 3598 4313 1688 1 5592 2611 2788 4532 1 360.0714 *360.0778* 360.0778@0.9476873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3507 2888 1 1 1 1 2789 360.0778 *360.1304* 360.1304@5.130209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7855 8188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 360.1304 *360.1413* 360.1413@0.92203236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1362 1 1 1 1 1 1 1 1 1 1 360.1413 *360.1518* 360.1518@1.2465471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4858 4706 1 1 1 1 1 1 1 1 1 1 360.1518 *360.1531* 360.1531@2.970677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2000 1790 1 1 1 1 1 1 1 1 1 1 360.1531 *360.2283* C11 H28 N12 S 1522 1514 1549 1437 1715 1429 2212 1 1 1526 1753 1705 1937 1677 1559 2015 1364 1425 1521 1808 1 1646 1564 1720 1306 1524 1709 1424 1507 1 1529 1150 1469 1618 1453 1 1 1926 1430 1323 1411 1642 1312 1497 1406 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1000 1081 1 1 1228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 360.2283 *360.2383* 360.2383@14.14163 1 1 1 1 1 1 1 1 1 2557 2463 1 1 1 1 1 1 1091 1 1 3258 1 1 1 1 1 1984 1 2472 1 1 1 1 1 1 1752 1 1 1 1 1 1 1 1 1 1 1 1 1 3064 1 1 1 1 1 1 1 1 1 1 4853 1 1 1 1 1 2671 1718 3380 1 1 1 2426 1 1 1 1 1 1 1 1 1 1 1 3088 1 3442 1839 2510 1 360.2383 *360.3545* 360.3545@12.872867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 360.3545 *361.1035* 361.1035@0.9022498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1238 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 361.1035 *361.1093* 361.1093@7.038469 1 1 8424 9695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1330 1320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 361.1093 *361.1155* 361.1155@0.9050131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1308 1 1120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1620 361.1155 *361.1286* 361.1286@0.91301394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1071 1 1 1 1 1 1 361.1286 *361.1375* 361.1375@0.9151776 1 1 1 1 1 1503 1 1102 1 1 1 1 1 1029 1 1 1 1 1 1232 1 1 1 1 1 1 1 1 1220 1308 1 1 1 1 1605 1490 1 1 1614 1405 1 1657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 361.1375 *361.144* 361.144@4.533098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4247 4694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 361.144 *361.1451* 361.1451@0.91746604 1 1 1957 1799 1 1 1 1 1 1 2204 2035 1 1 1671 1810 1 1 1 1 1675 1409 1 1 1 1 2499 2468 1 1 1 1 1 1 1 1 1 1 1 1 1508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1213 1688 1 1 1693 1779 1 1 1 1 1 1 1 1 1 1 361.1451 *361.1713* 361.1713@2.2554095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2417 3773 1 1 1 1 1 1 1 1 1 1 1 1 1 2392 1 1 361.1713 *361.2036* 361.2036@13.230082 1 1 1 1995 1 1 1 1 1 1 1 1 1 1 1 1 2130 1 1 1 1 1 1 1 2428 1 1 1 1 1 1 1690 1 1 1 1 1 1 1 1 1 1 1 1 4498 1 1 1 1 1 1 1 1505 1 1 3787 2613 1 1 1 1702 1 1 1 1 1 1 1 1 1 1672 1 1 1 1 1 1 1 1 1283 1 1 1 1 1 1 1 1 1 1 361.2036 *361.2047* Octocrylene 226119 226144 230279 222757 230089 228556 220972 216899 218994 222510 218761 218084 225421 223983 220340 201862 216111 224925 234235 197974 234951 229596 223947 219850 222317 225772 237897 191632 225324 199784 215931 211185 196723 214885 222083 219714 199175 222712 219173 201884 219526 200495 225235 222746 221273 198982 201287 206339 203701 207761 205257 209288 202773 186188 202398 212948 170651 214577 208577 202076 201400 198478 206946 196728 200954 202988 214060 209949 204888 206801 205268 201021 204153 194774 204377 205509 211180 201724 218342 202535 210495 201911 207118 218597 172293 203295 183740 174216 201881 201911 361.2047 *361.2066* 361.2066@13.305041 1 1 1 1482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3266 1 1 1 1 1 1 1 1 1 1 1 1 1 1773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 361.2066 *361.2155* 361.2155@5.493083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21028 1 25841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 361.2155 *361.9189* 361.9189@0.85153157 1 1 1 1 1 1 1 1 1 1909 1 1 1758 1 1 1 1 1 1 1 1691 1 1 1 1638 1 1 1531 1 1 1 1 1 1 1 1863 1 1896 1 1 2119 1 1578 1 1 1654 1 1742 1653 1 1 1 1 1 1 1 1 1 1 1445 1 1 1641 1 1 1 1 1 1 1756 1 1 1 1 1 1 1 1694 1 1 1 1 1 1422 1 1 1 1 1 1 361.9189 *361.9196* C10 H2 O13 S 11833 11020 10954 9816 12526 11643 10621 12902 11431 10068 12486 10870 10103 11851 12704 13250 11400 12627 11467 12393 9430 10425 10914 11214 9807 11780 11884 10155 10887 10832 11249 11063 11785 11295 9858 9218 9112 9592 10826 10626 9695 11257 9429 11246 11029 10131 10501 9577 8955 11049 10849 9341 10986 8966 11577 11188 11097 12180 11929 8942 11570 9829 9515 11281 11077 10220 9592 10036 10908 10777 9620 11231 11395 10773 10253 9724 11379 9695 11099 11207 10651 9911 10250 8678 10981 9861 10857 11702 11557 9915 361.9196 *362.1007* C14 H23 Cl N4 O S2 2334 2196 1605 1763 2176 1718 2042 2157 2190 2270 1386 1194 2475 3300 1384 1382 1 1114 2267 2293 1560 1479 5757 5819 1511 1462 1387 1489 1650 1681 1441 1018 2140 2085 2414 2440 6260 7080 2229 2054 3248 2703 3512 3779 2401 2479 3950 3821 1807 1961 3480 3373 5273 3485 1739 1677 1142 1 4568 2456 3806 5481 3212 3234 2615 2537 1407 1519 2415 2002 1745 1616 1470 1309 1448 1167 2414 2551 1223 1 4247 5677 1449 1445 2297 2336 1666 1442 9074 8435 362.1007 *362.1069* 362.1069@0.9070317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1468 1 1 1 1 1 1 1 1 1 1 362.1069 *362.1661* 362.1661@9.275932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1968 2155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.1661 *362.1666* C15 H26 N2 O8 2103 1055 2371 2125 2079 2155 1 1 1916 2028 2459 1 1 1 1247 1288 1850 1363 1 1 1073 1 1191 1912 2256 1437 1 1 2230 2081 1 1951 2071 1 1162 1900 1 1 1 1 1 1 1 1 1 2181 1201 2015 1254 1 2101 1837 2231 2313 2391 1048 2247 1 2091 2322 1 2286 1 1081 1783 2123 1 1717 2087 1 1787 2454 1 1199 2265 1 1 1 1711 1 1 2195 1031 1302 1 1 1 2210 1 1076 362.1666 *362.1919* 362.1919@11.220466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.1919 *362.2106* 362.2106@6.691577 1067 1053 1 1 1 1 1635 1568 1 1 1 1 1 1 1 1 1 1 1028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1049 1 1 1 1 1 2029 2517 1 1 1 1 1 1 1458 1471 1 1 1 1 1 1 1 1 1 1 1 1256 1 1 1 1 1 1 1 1 1 1 1125 1516 1 1 1 1 1 1 1 1 1 1 1259 1 1 1 1 1 362.2106 *362.2453* 362.2453@14.282506 1 2104 1 3278 1 1 1556 1 1 1 1 3138 1 1 1 1 5779 1 1 1 1 1 1 1 1 1 1 1 1 4346 1 1 2830 1 1 6670 2662 1 7934 1 6125 4061 1 1 1 5865 1 1 1 1 1 1 1 1 8749 6406 3763 1 8264 1 7468 1 5609 1 1 1 1 1 7725 1 1 7577 1 1 1 5482 1 1 1 1 1 1 3834 1958 1 1 1 1 1 1 362.2453 *362.2471* 1a,1b-dihomo-15-deoxy-delta-12,14-PGD2 + 14.23761 2937 1 1 1734 1 1852 4290 1227 1 1 1 1233 2140 1 1 1 1 1 1 1 5047 5165 5104 1 1 7558 5646 1 1 1 1 1 1 1 1 1 2312 1 3890 3385 1 2697 4982 1 1 1 1 4735 1 4231 3324 5589 1 1 1 3554 3799 1 2130 1 1 1 1 1 1 1 1 1 1 6134 1 1 5444 1 1 1 1 2717 1 1 1166 1 1315 1 1 4626 2743 1 1488 1 362.2471 *362.2473* 1a,1b-dihomo-15-deoxy-delta-12,14-PGD2 1181 6407 1 2142 11080 1 1396 2183 5556 1 1 1633 5414 1 1 5124 1 2813 1 8391 2372 5888 1606 7545 4568 2216 1 6183 2093 1 1 3054 2125 6749 3995 1 3084 9967 1 1 3692 2681 1 1 1 1 3314 4001 8229 1764 3022 3148 2059 1 1 1 1160 5177 2832 1 1 1 1 3901 1 4739 8422 1 1 1548 3068 1 1 1 1 1 2223 4561 5714 4783 2771 1 3220 7369 5298 1392 2635 1 1 1 362.2473 *362.2474* 362.2474@14.265926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.2474 *362.2474* 362.2474@12.38534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1081 1 1 1 1 1 1 1 1 1 1 1 1 1 362.2474 *362.3025* 362.3025@12.723937 1100 1 1 11520 1 1 1 1 1 11447 1 1 1266 1 1 11545 1 1 1 1 1 1 1 10879 1 1 10761 1 10479 1 1 1 10504 1 10746 9992 1 11457 9919 10467 1 9454 10388 1 10569 10312 1 1 1 1 1 1 1 1 1 1 6718 1 1 1 1 1 1 8617 1 1 7029 7316 1 8416 9381 1 1 1 1 7957 1 1 1 1 1 1 1 1 1 1 1 1 8772 1 362.3025 *363.1346* 363.1346@1.246047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2434 1 1 1 1 1 1 1 1 1 1 363.1346 *363.219* C19 H30 Cl N5 1320 1437 2168 2415 1876 1628 1596 1459 1520 1553 1785 2241 2034 1986 1 1322 2556 2968 1924 1602 1613 1536 1263 1286 1762 1808 2069 1523 1496 1641 2371 2133 1082 1205 1327 1303 1483 1416 1410 1140 1 1027 2818 2458 1760 1759 1276 1575 1 1 1 1 1022 1 1 1 1 1 1 1 1077 1292 1 1107 1051 1 1 1 1779 1 2387 2161 1 1 1 1 1430 1363 1944 2100 1 1 1 1 1 1422 1 1 1 1 363.219 *363.2278* 363.2278@7.353303 1 1 1036 1 1 1 1 1 1 1 1406 1456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1101 1 1 1 1 1 1 1 1 1 1471 1198 1 1 1 1 1 1 2256 2213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 363.2278 *363.2623* 363.2623@14.1664915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1396 1 1 1 1 1 1 1 1 1 1 1 1 1 3212 1 1 1 3665 1 1 1 1 1 1 1 1 1 1817 1 1 1 1 1 1 1 1 1 2476 363.2623 *363.3308* 363.3308@13.889029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 363.3308 *363.3346* C21 H41 N5 8002 8262 8275 7023 7996 8016 7977 8534 7990 8019 1 8146 7211 7907 8195 7880 8119 7099 7986 9244 7173 7562 8055 7761 8018 7650 7377 8845 8137 8845 7563 7133 7386 8237 8554 9569 8660 9299 8508 8148 9010 8139 7202 8280 7444 8504 7998 8662 8270 8022 7286 8042 7371 8630 7273 8180 7743 8497 8716 7807 8470 7457 8680 7716 7906 7848 8256 8503 7674 7872 6580 7690 8189 7579 8130 8187 8676 8088 8341 7413 7613 7281 7894 8169 8153 1 7501 7413 8795 7915 363.3346 *363.9094* C8 H7 Cl3 N2 O6 S 3665 3420 2996 3192 2942 3086 2863 2979 3621 3487 3809 3966 2718 2879 3022 2736 3238 2999 2473 2722 3158 3114 2565 3026 3391 3578 2633 3039 3342 2918 3342 3052 3142 3541 3098 3122 3096 3265 3095 3113 2969 3057 3097 2963 2964 2692 3083 3200 2969 2993 3125 2785 3768 3564 3284 3470 2974 2841 3233 3431 3688 3825 3608 3007 3393 3548 3222 2636 2793 3270 2792 2662 3116 3078 3646 3420 2843 2863 2392 2830 2929 3287 3172 3373 2949 3063 4253 4552 2668 3207 363.9094 *364.0979* 364.0979@6.1688137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1617 2018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.0979 *364.0982* 364.0982@0.99542344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1690 1918 1 1 3815 2378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1740 1999 1 1 1 1 1 1 1 1 1 1 1 1 1 1582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.0982 *364.0997* alpha,alpha-Trehalose 1 1 1939 2113 1991 1930 2282 2215 1 1 1246 1951 1 1 1 1 1742 1482 1 1 1936 4755 1 1 1 1 1 1 1 1 2033 1980 2016 2256 1829 1626 1 1 1257 1 1 1 1432 1452 1427 1326 2090 1945 1 1 1 1 1 1726 1 1 1 1 1673 1555 1 1 2397 2241 1844 1531 1 1 1406 1 1444 1311 1 1469 1227 1419 1088 1 1 1804 3672 4260 1253 1 1677 1602 1 1 1603 1229 C01083 364.0997 *364.1016* C26 H17 Cl 1 1588 1 1157 1554 1630 1455 1533 1619 1629 1622 1637 1424 1810 1455 1 1782 1427 1808 1293 1531 1334 1454 1315 1382 1 1233 1540 1 1348 1530 1439 1735 1619 1 1534 1523 1 1608 1 1358 1574 1529 1381 1419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.1016 *364.1016* 364.1016@8.974285 1 1 1 1 1 1 1 1775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.1016 *364.1038* 364.1038@13.0738535 1 1 1 1 1 1 1147 1 1 1 1 1 1182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.1038 *364.1108* 364.1108@11.527821 1 1 1 1 1 1 1 1 1 1 1 1 1130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1207 1 1 1 1 1 1 1 1 1 1 1 1 1 1155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1591 1 1 1 1 1 1 1 1 1 1 1 1 364.1108 *364.1141* 364.1141@11.533154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1116 1 1 1 364.1141 *364.1237* C29 H16 + 11.279002 1 1 1 3380 2973 1 4311 5688 4364 4077 3793 3366 4379 5133 3376 2854 2557 2966 2803 1 2757 1 3852 3487 1 1 1 3727 3195 3221 3752 1 4272 3924 2433 3682 3915 1 3350 1687 1 4599 4239 3485 4174 1 1 1 3441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3811 1 4161 1 1 3063 2666 1 1 1 3314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.1237 *364.1261* C29 H16 2204 3769 3689 2497 3004 3568 3653 2929 3527 2241 3449 2382 2643 3971 4174 2908 3790 3187 3703 2931 2810 3496 4473 2671 3437 3901 3562 2893 4423 3253 4871 4285 3395 3366 3595 4594 4937 3867 3527 4275 3774 3463 3586 2835 3193 3139 1 4399 4620 2943 4207 1 1 1 4029 1 1771 3328 1 1 1 4588 1 3605 3231 2982 3911 1 2828 4089 3622 1 1 4187 2997 1 4271 4367 1 3307 3540 1 1 3843 4236 4501 2916 4130 3273 1 364.1261 *364.145* 364.145@0.85170394 2572 2643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2264 1 1 1 1 1 1 1 1 1 1 1 1 1 2749 3308 1 1 1 1 3880 1 2863 2949 1 1 1 1 1 1 1 1 1 1 1 2074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2368 1 1 1 1 1 1 1 364.145 *364.15* 364.15@4.227605 1 1 1 1 1 1002 1 1 1 1029 1 1 1296 1447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1003 1 1 1 1 1 1 1 1 1 1 364.15 *364.152* 364.152@0.85400856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.152 *364.1658* 364.1658@2.666375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1404 1 1 1 2586 1 1 1 1 1 1 1 1 1 1 1 2367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.1658 *364.1662* 364.1662@2.8035252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1125 1 1 1 1 1 1 1 1 1 1 1 1864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.1662 *364.1793* 364.1793@3.2496302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.1793 *364.1941* 364.1941@1.1115212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1945 1531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6601 7892 1 1 1 1 1 1 1 1 1 1 364.1941 *364.2382* 364.2382@1.2467139 1228 1312 1411 1377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.2382 *364.2701* 364.2701@8.673298 1 1 1 2390 3425 1 1 1 2605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3471 1 1 1 1 1 2223 1 1 1 1 1 1600 1 1 1 1 1 1 1 1 1 1 1 1 1 364.2701 *365.0515* 365.0515@2.9836445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1564 1632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8896 8680 365.0515 *365.2744* 365.2744@8.627917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 365.2744 *365.2907* C18 H35 N7 O 5342 5401 4953 1 1 4949 4510 4722 4733 4684 5344 5246 4632 4569 4339 4523 4892 4572 1 4837 1270 1 1 1 4812 4704 5246 4668 4608 4494 1 5349 1 4512 4578 4416 4334 4510 4152 4699 1 4986 4458 5101 1 1 4804 4998 1 5036 5417 4740 1 1 5071 4493 3678 5015 4742 4593 4874 1 5185 4184 4827 1 1 4181 5186 1 1 1 5011 1 4747 1 5234 1 4790 1 4485 1 5227 1 1 4447 1 4451 1 5161 365.2907 *365.3101* 365.3101@12.061176 1 1117 1141 1 1 1 1 1 1 1155 1 1 1 1 1 1 1 1 1 1 1 1049 1 1082 1 1 1 1 1 1212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 365.3101 *365.9066* C15 H7 Cl O S4 4184 4105 4695 4518 4544 4484 4585 4656 5022 4709 4315 4090 4538 4257 5160 4194 4432 4431 4881 9798 4331 4484 4292 4397 4205 4416 3973 4071 4266 4648 4196 4613 4671 4377 3714 4368 4066 4139 4592 4109 4849 4127 3993 5317 4301 4449 4165 4371 4229 4302 4596 4171 4775 4643 4573 1 4308 4582 3673 3977 3821 4584 4773 4423 4207 4629 4587 4692 4440 4414 4493 3887 4158 3697 4463 4164 4414 4128 3881 4111 5033 4412 4451 4533 4005 4272 4411 4747 4636 4449 365.9066 *365.9067* C15 H7 Cl O S4 + 0.86776584 5718 5352 4865 4974 5161 5066 4728 4836 5246 4974 6288 5812 4497 4656 5034 5514 5095 5269 4619 1 5222 5134 4551 4192 5699 5965 4803 4388 4612 4775 5051 4660 5353 5104 5041 4932 5226 4963 4547 4622 5057 4780 5364 5006 1 4481 5170 5486 5413 5128 4748 5346 5749 6031 4877 4191 4838 4717 5379 5194 5590 5574 4790 5251 5761 4730 4698 4551 5231 5089 4272 4655 5588 5434 5139 5289 4862 4883 4550 4823 4522 4824 5145 4542 4818 4545 6384 5693 4638 4787 365.9067 *366.0807* 366.0807@6.169814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2861 3149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.0807 *366.1133* 366.1133@1.0393914 3715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2185 2806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1369 1546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.1133 *366.1173* C27 H14 N2 1 4191 2203 1 1 1 1 1 2642 2700 1859 2566 3189 2511 4804 5015 3396 3347 1 1 3498 3713 2266 1465 4239 4330 3001 2393 3125 1893 2950 1495 1 1 1 1 2969 1 1 1854 1 1 1 1 3518 3220 3224 2413 3783 2718 2390 3373 2137 2018 5023 2370 2143 2247 1 2003 2130 2290 1 1 2002 1 2234 1 2163 2611 3030 3299 1 1670 1 1 2264 2046 1 1 1882 1 1 1 1 1 1 1 1 1 366.1173 *366.1223* 366.1223@0.9970292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1764 366.1223 *366.1269* 366.1269@1.245953 4406 1774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.1269 *366.1346* Cephradine 1 1 7324 7094 2195 4521 7450 3327 9413 8989 1895 1 2802 3200 1139 1 7476 6974 2687 9537 1681 5103 4430 2964 1441 1756 6412 6106 1327 1325 1150 1 3912 1 1394 1584 1596 1852 11176 10594 9076 3709 2546 9260 8454 9172 1747 1754 6199 5329 2278 1325 1660 3101 1325 1375 2558 4907 7297 2496 1 1 1366 2735 1 1 3390 4164 1 1491 8876 2807 1606 1750 1160 1 2274 7226 1234 1092 6179 6262 7410 7265 10063 3054 1 1 3544 9751 C06897 366.1346 *366.142* C18 H18 N6 O3 2470 2713 3244 3747 1993 2137 3828 3479 3769 2860 2162 2462 2994 2817 2331 1938 2861 2826 4158 4897 2857 2839 4803 4248 1791 1843 3556 3515 2031 2672 3514 4292 4292 3806 3585 3711 6515 6950 4747 4434 4260 4341 2961 3756 4724 4713 4961 5189 3778 4009 3733 3920 5250 5003 2630 2217 1934 2213 5675 5452 4467 5277 5387 6320 3805 4116 2213 1917 4177 4490 6559 6618 2077 2409 3336 2844 4125 4084 6900 6497 4166 4294 3300 4036 5715 5782 3495 3611 6279 6693 366.142 *366.2336* 366.2336@13.046079 1 1 1 1 1 1368 1 1 1392 1 1 1 1452 1 1 1368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1363 1 1 1 1 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.2336 *366.237* 366.237@10.396244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.237 *366.2604* 366.2604@5.917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.2604 *366.3025* 366.3025@14.135672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.3025 *367.1421* 367.1421@1.2465069 1 1 1 1 1 1 1 1 1 1 1 1 1036 1 1 1 1 1 1287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1063 1 1 1190 1 1 1 1 1 1 1 1 1 1055 1 1 1 1 1 1 1 1 1 1128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1379 1 1 1 1 1066 1 1 1 1 1 1 1 1 1612 1 1 1290 1 367.1421 *367.2144* Phenoperidine 16919 16373 15891 18388 16082 15129 15610 16665 15390 15465 16850 16018 14817 15087 15659 14904 15027 16424 15341 15582 15393 15520 15555 14964 15730 13912 15593 14408 15181 14195 15866 16246 13927 17326 14359 17187 15775 17226 15549 15181 15058 16757 14010 14543 14014 16361 14091 14354 15869 13595 15478 14168 15584 15532 14538 15256 14937 14990 14691 14255 15470 15279 15763 15890 14350 15705 15424 16234 15003 16289 14621 15374 14060 16518 15463 13343 13853 14954 15978 15246 14856 14443 15743 15371 14812 15151 15362 15407 15805 14799 367.2144 *367.2182* Acetyl-farnesyl-cysteine 9241 8908 7936 9750 6640 5632 7888 9753 9054 7906 8832 8470 7793 8195 7260 7499 9527 6999 8468 7800 8125 8341 8968 6712 8374 8352 7968 7456 7516 8329 7196 8457 7189 9864 8914 9611 9665 8845 9422 7957 8276 9899 7626 8169 8479 9093 7605 7855 9262 7833 7339 9281 10405 9175 8336 9923 8204 9242 8235 7459 8955 9226 9130 10578 10598 9316 10935 10445 8007 11290 7873 9468 7915 9461 9116 7744 7637 10172 9938 9077 9801 10111 9259 10468 7773 9477 9963 9853 9392 8811 367.2182 *367.219* 367.219@11.064909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1741 1 1 1 1 1 1 1 1682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367.219 *367.2247* 367.2247@11.073502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1870 1 1 1 1 1 1 1 1 367.2247 *367.2286* 367.2286@8.504557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2393 2222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367.2286 *367.2368* 367.2368@11.1078005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367.2368 *367.2453* 367.2453@11.294802 1685 1 1 1 1 1 1 1750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1241 1 1 1 1 1 1 1 1295 1 1 1 1 1 1 1 1 1 1 1 1 1090 1 1 1 1226 1 1 1 1 3361 1 1 1 1 1 1 1 1 1 1 1 367.2453 *367.2487* 367.2487@11.3852415 2646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2882 1 1 1 1 1 1 1 1 1 2980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1227 5211 1 1 1 1 1 1 1 2255 1334 1 1 2118 1 1 2645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367.2487 *367.2515* 367.2515@13.1382475 1 1 1 1 1 1 1 1 1 1 1 1 9198 1 1 3468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9884 1 1 1 1 1 1 1 1 8198 1 1 1 5646 1 1 1 1 1 1 1 1 1 4157 1 1 1 1 1 1 1 1 1 1 2869 1 1 1 1 2187 3019 1 1 1 1 1 1 1 1 1 1 1 1 4402 1 1 367.2515 *367.2518* C19 H34 Cl N5 1 9146 7719 1 1 1 7812 10384 9020 1 9872 11623 3898 2699 11163 1874 8878 1 1 10592 1 10527 10570 1 1 8501 1 10063 1 9543 8522 8902 8846 1 1614 1 1 1 1 1 1 8864 2555 1752 1 1 4587 8632 10233 9537 1 9782 1 6516 1 5847 2652 1361 8801 1 1 12419 9152 11987 1 10537 1 9246 3113 11403 8450 10521 2201 9271 10331 1 1 10132 11505 9334 10205 1 6433 12567 1 6645 11227 9927 12500 7958 367.2518 *367.2522* C17 H33 N7 S 9113 5810 5237 1 8346 5364 6885 7232 7176 6195 6862 5220 3413 3381 6927 10866 5463 6129 10017 6637 1 3884 7663 1 9074 8894 8182 3747 9614 4566 7186 2923 5963 9104 6932 5911 1 1 8925 9244 1 5611 4056 3208 1 8175 5630 1857 5182 6003 12473 1 11520 3533 8413 3452 2745 9042 7533 8604 4117 8379 6929 7090 6641 4503 8257 5647 8122 1977 5226 5734 12897 1965 2243 1 11944 6006 6707 5550 7761 7371 2702 4726 6331 3819 3285 2644 9068 1554 367.2522 *367.2846* 367.2846@12.032356 2279 1 1 2838 1 2536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1662 1 1 1 2132 1 1557 1361 1 1 1742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1614 1 1755 1 1 1798 1 1 1 1 1033 2033 1 1 1 1 1578 1 1 1 1 1 1 1 1719 1 1981 1 367.2846 *367.2875* 367.2875@12.033142 1 1126 2147 1 1 1 1 1 1 1 1833 1 1 1 1 1 1540 1 1833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2014 1 1 1 1347 1721 1207 1511 1 1 1 1 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2250 1 1 1 1 1184 1 1 1 1 1 1 1 1 1 1592 1 1 1 1 367.2875 *367.2974* 367.2974@12.032585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2251 2256 1 1 1 1 1 1 1312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1368 1 1398 1 1 1 1693 1 1 1 1 1 1 1 1 1 1 1 1275 1 1 1 1 1 1 1 1 1636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367.2974 *367.2985* 367.2985@11.279999 1 1 1310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367.2985 *367.8999* C12 H2 Cl2 N4 O2 S2 1718 1912 1580 1716 1469 1810 2794 1833 1792 1 1897 2065 1806 1590 1 1830 1 1895 1472 1768 1700 1 1 1409 1 2030 1749 1803 1711 1687 1839 1622 1894 1 1818 1769 1433 1861 1658 2006 1499 1962 1623 1899 1710 1712 1913 1816 1678 1792 1223 1966 1940 1 2945 2072 1590 1841 1947 1849 2009 1819 1768 1849 1595 1787 1664 1532 1733 1942 1513 1451 1 1825 1745 1901 1832 1411 1409 1808 1525 1803 1900 1758 1 1665 2341 1896 2911 1804 367.8999 *367.9048* 367.9048@0.83700246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3249 1 1 2725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1539 1 1 1 1 1 1 1 1 1 1 1 1 367.9048 *367.9107* 367.9107@0.8145037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1909 1 1 1 1 1 1 1 1 1 367.9107 *367.9118* 367.9118@0.81333715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1695 1 1 1 1 1 1 1 1 1 1 1 1 1 1914 1 1 1 1 1 1793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367.9118 *367.9462* 367.9462@0.80300766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367.9462 *368.1038* 368.1038@0.82598054 1 1 1 1 1068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.1038 *368.1124* 368.1124@0.823983 1 1 1 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.1124 *368.1167* 368.1167@12.083732 1 1 1695 1 1 1 1197 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.1167 *368.1176* C15 H21 Cl N6 O S 1328 1541 1049 1 1419 1 1568 1223 1593 1733 1416 1382 1657 1 1384 1 1546 1 1143 1 1470 1480 1355 1278 1 1341 1289 1293 1319 1119 1364 1052 1 1183 1 1 1412 1148 1395 1239 1181 1051 1374 1 1165 1504 1508 1 1645 1417 1469 1432 1 1516 1 1 1395 1354 1 1371 1 1 1213 1123 1 1 1351 1 1 1 1204 1108 1 1 1258 1 1055 1 1337 1 1 1387 1271 1 1171 1232 1 1 1 1 368.1176 *368.1336* C16 H16 N8 O3 1 1814 1 1 1295 1 1 2711 1 1 2203 2675 4081 4651 2079 1947 1 1 4426 1 2590 1 1 1820 3293 2686 1 1 1945 1811 3350 3039 5934 5918 2656 3058 4691 4994 1 1 1 4021 4978 1 1 1 3361 3441 1 1 3787 3924 5250 4810 1931 1582 2199 1 1 3250 2600 2796 2695 2635 2014 2053 1 1 4063 4313 1 4462 2663 2654 2738 3238 3427 1 1825 1367 1 1 1 1 1 4528 4266 4210 3769 1 368.1336 *368.1579* 368.1579@5.774237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.1579 *368.2209* 368.2209@14.141031 1 3403 1 1 1 1 1 1 1 1 1 1 1163 1 1 1505 1 1 3190 1 2392 1820 1 1 1 1831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1096 1 1 1 1 1 1 368.2209 *368.2241* 368.2241@13.00367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1011 1 1 1 368.2241 *368.2315* Perindopril + 13.513286 1 6142 1 1 1 4330 4250 1 3681 1 4472 1 1 1 1 1391 1 4354 6162 1 1 1 6331 1 3435 6176 1 3955 8388 4886 3483 1 3863 1 4753 2780 1 1 4879 1 5617 2244 1387 1 4659 1273 1 3375 1 4019 5205 1 3064 1 1 4464 1150 3782 4430 1 1 3831 1 1 5237 1 1273 3305 1 4252 1 1 1 3648 1 2751 4241 1257 1 1 3733 4965 3826 4357 1 4448 1 1 1 1 C07706 368.2315 *368.2325* Perindopril 3405 1 2903 4832 4266 1 1 5207 1 5757 1 7148 3939 5159 1 4339 4761 1 1 4665 4112 3511 1 3394 1 1 4712 1 1 1 1 5005 1 3472 1 5022 4585 4157 1 2877 1 4394 8519 3153 1 3484 3801 1 4239 1 1 4023 1 3574 4519 1 2162 1 1 3658 5584 1 5171 3110 1 3663 3240 1 4449 1 3279 4203 3759 1 3375 1 1 3558 4919 3754 1 1 1 1 4518 1 4573 4335 4695 4050 C07706 368.2325 *368.2424* 368.2424@1.1688936 1 1 1 5207 1 2625 3676 1 4770 4489 1942 2533 1 3445 2926 1 1 3934 6175 5639 3060 3368 1203 1 1 1457 2338 2187 1 2781 4785 1 5843 1 3393 1 1 1 1 5853 1 1927 1 1 1 1158 1 1 1 1 1286 1 1 6808 1 1 1 3320 1 1055 5620 1 7382 1 2372 1 1 1 1 1 1 1 2578 1630 3418 1 1276 1 1 1 5551 1 1 1 1 2339 1 1 1 1 368.2424 *368.2484* 368.2484@13.113712 1 1 2010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1217 1 1 1 3206 1 1 1 1 1 1 1 4807 1 1274 1 1 1 1 1 1 1 1183 1004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1798 1 1 1 1 368.2484 *368.2907* 368.2907@13.948959 1 1 1 1516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.2907 *368.3148* 368.3148@13.947443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1333 1 1 1 1 1 1 1 1 1 368.3148 *368.3421* 368.3421@14.156572 1555 1 3722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4728 1 1 1 1 1 1 1 1 1 1 4109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1473 4934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.3421 *368.3437* 3-Deoxyvitamin D3 2321 4004 1 3715 4115 4955 4074 4650 3772 4829 4236 1 4825 3158 4633 3144 3713 3956 3996 1 5745 5989 4031 5160 5478 4411 4155 3185 5025 5231 1 4307 5066 4805 4718 4946 4616 5471 6329 5499 1 5350 5645 4085 6232 5100 1 4030 3570 3920 4534 3798 4799 4424 3864 3771 1434 1 1 4301 2572 4530 4223 5318 4020 3385 3773 6051 1 2485 4109 5584 4255 1 6496 8508 6640 4997 1 9477 4280 4862 6164 3627 1 3964 3043 1 2482 2047 368.3437 *369.1019* 369.1019@3.684246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3192 4275 1 1 1 1 1 1 1 1 1 1 369.1019 *369.1121* 369.1121@5.23227 1 1 1259 1488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.1121 *369.2136* 369.2136@0.9815396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1804 2759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.2136 *369.3031* C25 H39 N O 1587 4353 3983 4934 1 1242 1348 3472 5087 2322 4936 3756 1 3448 5483 4173 3291 1 1 1 5936 4290 2457 2121 5426 4738 1 1 6382 2761 3599 3895 4869 4585 5653 1 5215 4371 2423 1146 1 1 2956 5326 1776 3447 3040 2235 1 2331 1 1 2533 1 1915 3880 1781 1 1 2661 1253 1 2906 4110 4490 1 2159 1 1 1 2860 5045 1 1 4077 1 1 3411 1 1 1 2550 3504 1 2822 1 1 3518 1 1 369.3031 *369.3081* 369.3081@12.1730995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4772 1 1360 1 1 1 4264 3674 1 1 1 1 1 1 2042 1 1 1 1 1 1 4756 1 1 1 1 1 1 1784 1 1 1 1 1 1 1 1 1 1 369.3081 *369.3216* 369.3216@12.116579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.3216 *369.3217* 369.3217@13.063826 1 1 1 1 1 1 1 1 1 1 4685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2500 1 1 1 1 1 1 1 1 1150 1 1 1 1 1 1 2243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.3217 *369.3226* 369.3226@13.071665 1 1 11282 1 1 1 1 1 5582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9264 12392 1 1 1 1 1 1 7275 1 1 1 1 1 1 1 1 1 14370 1 1 1 1038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5208 1 1 1 1 1 1 1 1 1 1 1 1 1 11886 1 10501 1 1936 369.3226 *369.3234* 369.3234@13.05793 1 1 1 10926 1 1 1 1 1 11229 1 1574 1 3632 1 1 1 1 1 1 1 1 1 1 1 1 1 2379 1 2751 1 13490 7903 1 1348 1 1 1 2495 1 1 10757 1 3335 1 1 1 2450 1 1 11183 1 1 1 1 2748 1402 1 2188 1 1 1 2592 10911 1 1 3865 1 1 12810 10556 1 7552 1 1 1 1 1 10272 1 1 1 2237 1 1 1 1 1 1 1 369.3234 *369.3238* C22 H43 N O3 21452 21786 21637 21428 20802 20998 20989 23260 22101 20729 21128 22737 21849 21117 22321 24399 21201 22703 22382 21924 21904 23143 21960 21053 20638 24035 20225 24567 22041 21756 20711 21049 22817 23740 21093 21310 21638 22645 24522 21920 19842 19576 22351 22475 22605 23727 23000 22379 21372 22840 26649 23410 27487 22940 24665 24602 23825 22684 23821 26990 23471 23355 26228 26218 26834 22701 22830 28287 25266 27426 24601 17504 25699 23502 26885 26419 27789 26259 29391 26072 25504 28085 26412 25872 27788 25008 27691 24387 29123 24862 369.3238 *369.3243* 369.3243@13.052922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2938 1 1 1 1 1 1 1 1 2497 1 1 1 1 2954 1 1 1 7109 1 1 6869 1661 1 1 1 1 1 1 1 1810 1 1 3470 1 1 1 1 4374 10891 1 1 1 1 1 2072 1 1 1 1 1 1 1 1 1 2730 3660 1 1 1 1412 1 1 1 3603 8468 1 1 1 1 1 1482 369.3243 *369.3245* C22 H43 N O3 + 12.887563 145133 148803 147892 146593 149488 148184 147400 155402 148150 155720 149404 148037 153915 147564 149624 146442 144020 146363 144855 151419 149018 154729 150266 148609 148622 146282 142336 147849 148141 145442 146789 141093 141035 144241 145456 147547 141225 146263 146504 153409 144747 143440 147026 146569 145964 150707 146108 138245 142197 142899 144547 143593 143556 142480 140409 142589 137511 143782 145889 141919 136966 133330 139524 139010 139882 141625 137397 134090 135129 135968 134722 136417 134683 142287 136500 134793 135206 132590 143919 137723 136970 137955 137248 137939 137668 136432 132152 135204 137724 135598 369.3245 *369.3308* C17 H39 N9 3256 1 1 1862 1 2753 1 2939 2613 1 4206 3023 1 3121 1 3231 1 1 3527 1 3069 3152 1 1 2673 1 3339 3293 3348 3345 1668 3380 2969 1 3431 3761 1 3980 1 1 1 3419 3700 1 1207 1 3015 1 3434 1 1 1 3637 1 1 2721 1 3976 1 1 1 3705 3775 1 1444 1 3003 1 3597 3037 3466 1 3718 3441 1 1 1 3580 3276 1 1 1 1 2782 3228 1 1 3342 2953 3744 369.3308 *369.3316* 369.3316@14.154912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.3316 *369.8951* 369.8951@0.8160089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1066 1 1 1 1 1 1 1 1 1 1 1 1 1046 1 1 1 1 1 1 1 1 1 1 1515 1 1 1 1 1 1 1069 1 369.8951 *369.9089* 369.9089@0.8089948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.9089 *369.918* 369.918@0.8074646 1 1 1138 1 1029 1 1 1 1 1330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1264 1098 1 1 1 1 1 1 1 1 1 1 1161 1028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1516 1 1 1 1395 1164 1 1 1 1 1 1 1 1 1 1287 1 1 1 1 1 1242 1 1200 1 1 369.918 *370.096* C23 H10 N6 1136 1415 1 1 1612 1 1733 1732 1 1665 1819 1635 1 1 1075 1209 1367 1007 1 1 1371 1 1 1025 1 1498 1 1 1 1 1462 1235 1200 1108 1405 1474 1201 1424 1226 1202 1562 1 1 1357 1 1150 2231 1951 1 1282 1607 1771 2334 2128 1 1 1260 1211 1 1832 2208 1940 1360 1391 1491 1 1 1367 1488 1 1 1 2132 2018 1986 1584 1 1357 1 1 1 1028 1 1219 1 1284 1 2078 1775 1728 370.096 *370.0979* 370.0979@13.707379 1073 1133 1 1 1 1 1 1 1 1 1 1152 1 1 1 1 1091 1 1 1 1 1 1 1 1 1 1 1 1 1204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1121 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 1 1 1 370.0979 *370.11* 370.11@5.6783876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1470 1382 1 1 1 1 1 1 1 1 370.11 *370.112* 370.112@3.681109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1062 1159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.112 *370.1564* 370.1564@10.791155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.1564 *370.1573* Gln Ser His 7348 1 1271 6862 3114 1 3348 4010 1 7011 1 1 7054 1 1 6886 1 1 1 6965 2013 1 7008 1 1 1 3484 2724 2629 5504 4672 1 1633 3393 1832 3372 1879 1725 1 3696 5482 4696 6786 1675 6559 6713 1 6540 1 4769 1 1 1 5755 1 5758 1935 1 1276 1 5452 3186 5566 1 1 1 5180 1 3847 4993 1206 1 1 2908 4736 4919 1 1982 1247 2564 2594 1164 4420 3347 3582 3158 1 1 1 5055 370.1573 *370.1578* 370.1578@10.713469 1 1883 1 1 1 2055 1 1 6844 1 1 1 1 1954 4654 1 1 1020 2209 1 1971 1 1 1 1 1 1311 4438 1 1 2606 1012 1 3459 1 1598 1 3399 1 1 1 1 1 4943 1 1 6533 1 1359 1 2022 1 1735 1 1 1 2542 1 3555 1 1 1 1 5114 5020 1 1 1 1 1 1 4469 4774 1599 1 1 1 1564 1 1 1 2868 1 1 1 1833 1563 1 1 1 370.1578 *370.1587* 370.1587@10.901156 1659 1 1 1 1 1 1 1 1 2075 1 1 2130 1 2326 1547 1 1 1 1991 1906 1 2590 1 1 1 1908 2050 2258 1789 1778 1 1 1470 1 1 2413 1 1 2075 2189 1 1 1562 1895 1 1 1945 1 2127 1 1643 1 1933 1 1 1561 1 1638 1 1 1 1 1 1 1 1 1 1454 1 1315 1 1 1 1 1 1 1 1 1323 1 1 1 1 1496 1 1 1 1 1 370.1587 *370.191* 370.191@4.3433747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1125 1 1 1 1 1 1 1 1 370.191 *370.1949* 370.1949@11.463401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.1949 *370.216* 370.216@13.874527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.216 *370.2208* C16 H34 O9 203785 206376 277875 284329 243165 245528 223756 226243 226710 231542 213267 214796 312318 311040 200913 200382 627427 632698 222375 229451 192952 176494 203028 193516 227852 232363 269148 269903 260512 250374 250012 249541 192767 191100 210535 208866 214026 216073 202513 200177 210177 210533 243037 248944 241524 206109 163856 164021 146258 146310 133769 134526 161138 164355 131848 139294 138084 139888 130465 132696 193763 193723 149241 144000 152523 161013 119167 112684 202056 194403 191968 187334 134073 136015 141582 142771 185501 193445 353634 358147 147085 147532 133274 125337 149249 150886 139961 136800 140298 140444 370.2208 *370.2301* 370.2301@5.493812 1 1 2215 1652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1141 1 1 1089 1579 1 1 1 1 1 1 1 1 1 1 1 1 1070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1414 1234 1 1094 1 1 1 1 1 1034 1 1 1 1 1 1 1 1 1 1 1 1 370.2301 *370.2804* 370.2804@4.8088894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1352 1217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.2804 *370.3079* 370.3079@11.914389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.3079 *370.3082* 370.3082@11.810675 1 1 1 1 8282 10581 1 1 1 1 1 1 3799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6170 1 1 1 1 3323 4140 1 1 1 3970 17198 2550 1 1 1 1 1 1 1 1 1 1 1 1 1626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16073 1 3591 2960 1 1 1 1 1 1900 1 1 1 1 1 3838 1 370.3082 *370.3085* Docosanedioic acid 1 1 1 21039 1 1 1 3681 7907 6528 1 5526 1 4489 1 7621 1 1 1 1 1 6089 1 1 21051 11063 8408 17482 1 1 6764 1 14529 1 18994 5694 19066 6897 18162 6589 5045 1 1 1 1 1 2743 5516 1 15173 1 1 1 1 1 1 2454 1 2085 1 1 1 1 18443 1 7342 1 2533 3829 1 1 1 15618 1 1 1 6315 5445 1 4705 1 1 7988 1 1 5349 1 6536 4271 2505 370.3085 *370.3091* 370.3091@11.771227 1 1 1 1 2144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2600 1 1 1 1 1 2132 1 8234 1 1 1 2209 1 1 1 1 1 4706 1 1 1 2033 1 1 1 1 1 1 1 1 1 1686 1 1 1 1 1 1 4952 1 1 1 1666 3026 1 2345 1 1 3346 1 1 1 1 2584 1 1 1 1 1 1 1 1 1 1 1 370.3091 *370.3126* 370.3126@14.145645 1 1 1 1 1 1 1 1 2287 1 1 1 1 1 1 1 1524 1 1 1 1 1 1 1 4617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1158 1 1 1 1 1 1 1 1 1 3149 2334 1 1 1 1 2358 1 1 1 1 1 1 1 1 1 1 2370 1 1 1 1 1 1 1 1 2249 1 1 1 1 1 1 1 1 1 1 1 370.3126 *370.3158* 370.3158@13.075981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1429 1 1 1 1 1 1 1 1 1 1 1 1 1 1046 1381 1 1881 1 1 1 1 1 1958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.3158 *370.3183* 370.3183@9.871056 1 1 1 1 1 1 1 1 1 2031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1473 1 1 1 1 1 1 1 1 1 1 1 1 1 370.3183 *370.3194* C21 H42 N2 O3 27515 25758 26304 23085 25630 25492 27968 26101 26489 25546 26283 26452 25422 27574 10743 25575 26043 26196 27092 10633 25650 26495 26469 27652 23841 26363 26133 24100 25466 25905 26016 24649 24930 26899 26715 25803 26440 26652 26526 26267 25708 26808 26297 26380 26203 23886 21227 23127 23007 22378 22848 22368 22066 22838 22800 21269 19557 22847 22667 23561 22406 23321 8815 23019 22913 23076 22835 23480 20936 22314 22491 23663 23029 22860 23390 23194 21891 22509 22654 23616 23210 22678 23385 23699 22107 22829 23226 23334 22437 23385 370.3194 *371.0586* 371.0586@3.0081942 1 1 1 1 2483 2361 3048 2997 1 1 1 1 1900 1782 1 1 2359 2303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3540 3528 1 1 1 1 1 1 1 1 1697 2085 1 1 1 1 1 1 1 1 1 1 4006 4020 371.0586 *371.1792* 371.1792@4.1874886 1 1 1340 1216 1 1 1 1 1 1371 1487 1243 1 1 1 1 1 1 6064 4820 2659 2568 1 1 1 1 1 1 14731 14744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5986 5863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33009 1063 1 1 1227 1 1 1 1 1 1 1 1 1 1 1 1 1974 1900 2948 2746 1 1 1156 1117 1 1 9850 10204 371.1792 *371.2156* Gln Pro Lys 1883 2178 2190 1770 1844 2099 1953 1913 2318 2089 1942 2343 2039 2065 1993 2151 1939 2044 2069 2246 1759 1924 1747 1853 2045 2056 2353 2151 1788 1911 2376 2002 1919 1 1759 2113 2170 2157 1957 2194 2164 2083 1863 2092 2393 2304 1 1543 1604 1590 1307 1402 1488 1561 1304 1439 1416 1486 1527 1647 1892 1826 1602 1783 1473 1567 1401 1908 1575 1523 1 1793 1595 1617 1539 1278 1737 1418 2011 1760 1537 1615 1503 1547 1647 1565 1422 1769 1566 1572 371.2156 *371.2166* 371.2166@4.8825116 1 1 2282 2300 1 1 1 1233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2544 1754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1705 1504 1 1 1 1 1 1 2133 2198 1 1 1 1 1 1 1 1 1 1 1 1 371.2166 *371.2339* C20 H29 N5 O2 2558 2672 3451 2903 2828 3283 3212 3613 3081 3047 2784 3413 3366 3474 3007 3440 3758 3173 3745 3379 3235 3560 3347 2899 3230 3685 3023 3341 3420 2973 3798 3255 2877 2914 3553 3603 3487 3554 3360 3554 3075 3436 3600 3968 2438 2020 1737 2514 2048 2046 2154 1976 1857 1999 2204 1991 1970 1922 1775 2195 1 1898 2093 2227 2290 2243 2055 1811 2045 2123 1810 2213 2145 2346 1911 2196 2422 1785 2415 2203 2095 2158 2244 2026 2030 2199 2225 1702 2264 2238 371.2339 *371.2703* 371.2703@12.219257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1056 1 1 1 1 1048 1 1 1000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.2703 *371.2735* C19 H37 N3 O4 1 1 1 1 1010 1 1 1701 1 1 1 1026 1061 1 1 1 1 1 1 1 1 1149 1 1067 2089 1 1139 1 1049 1114 1 1364 1 1 1 1 1 1 1 1 1 1 1093 1 1 1 1 1 1381 1 1008 1 1 1104 2117 1218 1172 1 1225 1963 1 1152 1 1386 1 1214 1 1 1 1 1 1 1 1 1694 1 1 1 1128 1441 1719 1557 1245 1 1 1 1 1 1 1 371.2735 *371.282* 371.282@12.209055 1 1 1 1 1 1 1 1494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1396 1 1 1 1006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1859 1 1 1 1 1 1 1 1 1 1 1779 1 1 1 1 1 1 1 1 1 1 1084 1248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.282 *371.283* 371.283@12.269817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.283 *371.3346* 371.3346@13.666126 1 1 1 1598 1 1 1 1 1643 1 1 1 1 1986 1 2001 1 1 1701 1 1 1 1 1 1 1 1 1 1 1 1873 1 1 1 2669 1 1523 1 1 1 1 1847 1592 1 1 1676 1 1 1 1 1 1 1 1 1675 2046 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1405 1 1 1 1 2015 1 1781 1 1 1 1 1 4113 1 1293 2016 2110 1494 1 371.3346 *371.3354* 371.3354@12.578342 3536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1517 1 1 1006 1 1 1 1 1800 1 1 1 1 1 1 1 1 1 3218 1 1 1 1 1 1 1 1 1 1 1 1 1 1024 1 371.3354 *371.3367* C18 H41 N7 O + 13.03087 2917 1594 2290 2705 6906 1 4235 3905 3113 4947 1 1 3028 1482 1 1 1 1 1 1887 5693 1 1 1639 1 3346 2754 6490 2386 1 1 2370 1 1 5471 3697 1 3194 2653 3750 1 2870 4011 1 1 2676 4185 3390 1188 2999 2695 4403 4059 2892 4419 1 1 3066 5669 3583 3927 1 5719 6163 2366 4907 3806 3567 3234 1 1247 1 4111 1 3597 1 2883 3354 5054 5744 6238 5218 3707 3084 7203 4617 3284 2789 3439 4115 371.3367 *371.3368* C18 H41 N7 O 1 3232 4029 3362 3747 4108 3369 4472 3642 4130 2867 4317 4193 3689 3195 3223 3472 3394 3658 3727 3728 3580 3314 3614 4604 3343 3867 3312 3835 3748 3717 4801 3613 4129 4038 3589 3703 4966 3536 4243 3629 4007 3446 4103 4252 4401 3764 2730 4487 4399 3377 4223 3606 4640 4549 3911 3305 4136 3793 4106 4216 4167 3821 3969 4576 4415 4266 4201 3996 4080 3975 4156 3887 4388 1 3744 4217 4072 4056 4028 3658 4298 4014 3999 3053 4464 3406 3629 3948 4136 371.3368 *371.3389* 371.3389@13.046253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.3389 *371.8674* 371.8674@0.8215039 1 1 1 1 1 1 3626 1 1 1 1 1 1 1 1 2543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2798 1 1 1 2280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.8674 *371.8725* 371.8725@0.8190068 3367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3275 1 1 1 1 1 1 1 1 2824 1 1 1 2598 1 1 1 1 1 1 371.8725 *372.0359* C24 H8 N2 O S 1 1 1374 1245 1382 1410 1510 1349 1221 1170 1479 1541 1078 1182 1197 1070 1240 1383 1 1 1 1036 1249 1123 1104 2004 1115 1004 1 1 1100 1237 1045 1 1199 1291 1 1013 1 1140 1468 1480 1914 1626 1238 1421 1436 1216 1527 1323 1000 1319 1532 1476 1 1303 1343 1359 1072 1100 1627 1238 1054 1636 1207 1020 1068 1 1296 1236 1 1 1577 2003 1169 1 1 1169 1 1 1 1 1514 1023 1275 1192 1 1 1 1 372.0359 *372.078* 372.078@1.2240459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3408 1 1 1 1 1 1 1 1 1 1 372.078 *372.102* 372.102@3.6905794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2571 2539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.102 *372.1137* 372.1137@5.61938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15053 15401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.1137 *372.1512* 372.1512@6.2621307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11345 10804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.1512 *372.278* 372.278@8.707368 1 1 1 1 1 1 1 1 2314 1909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.278 *372.2987* C21 H36 N6 7079 8002 7621 7080 10440 9078 8339 8040 7451 8710 10029 9761 8423 1358 9283 7824 8992 9235 9761 7513 7414 8469 10447 10012 7300 9309 9918 9408 9761 6927 9122 8759 8917 8180 8974 9442 7499 10183 7833 1609 10082 9658 9722 8668 10221 9399 7231 7604 8261 8483 8729 6501 7758 7753 6559 1875 4994 7743 7867 8148 8178 7261 8639 6904 7113 8350 5774 6762 6540 8717 8147 9937 6254 9112 8934 6126 8397 8667 6990 8158 8596 8496 8832 6252 6049 8838 7192 6999 8191 8932 372.2987 *372.2995* 372.2995@13.467954 1 1 1 3186 1 1 1 1332 1 1 1 1 1 7507 1249 2389 1 1 1 1461 1755 1 1 1 1896 1 1 1 1 1634 1 1 1 1141 1 1 2084 1 2421 8793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1764 6973 1 1 1 1 1 1 1 1 2223 1 1 1 1 1 1 1 1 1 1 1453 1 1 1741 1 1 1 1 1 1 1 1 1 1 1 372.2995 *373.115* 373.115@1.2499841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 373.115 *373.1197* 373.1197@1.2452062 1 1 1 1908 1053 1 1 1 1064 1324 1 1237 1384 1085 1 1 1 1 1144 1211 1 1069 1 1 1 1074 1 1 1 1 1 1 1318 1502 1141 1267 1 1 1735 1349 1231 1178 1 1 1 1 1026 1272 1 1 1 1 1280 1199 1 1 1 1 1 1 1005 1 1 1 1 1 1 1 1144 1 1 1 1 1 1 1269 1 1 1 1 1 1 1 1 1517 1536 1 1010 1 1 373.1197 *373.1309* 373.1309@1.2448133 1 1 1589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1602 1509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1287 1 1 1 1 3435 1 1 1 1 1 1 1 1 1 1 373.1309 *373.1413* 373.1413@1.242047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1089 1 1 1 1 1 1 1 1 1 1 1 373.1413 *373.1639* 373.1639@5.2599087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6267 5988 1 1 1 1 1 1 1 1 1 1 373.1639 *373.1658* 373.1658@13.063118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 373.1658 *373.1665* C19 H32 Cl N S2 1 1 1240 2089 1270 1390 1179 1 1 1 1 1 1 1 1427 1 1 2171 1 1 1 1 1 1373 1251 1 1 1 1 1700 1 1348 1 1 1475 2197 2551 1 1 1 1 1 1510 1 1 2424 1 1985 1 1 1 1 2150 1435 1224 1 1389 1 2142 2022 1 1 1 1 1239 1 1250 2034 1 1 1 1 1811 1 1280 1 1 1 1 1151 1 1853 1973 1 1 1255 1451 2235 1 1038 373.1665 *373.2128* 373.2128@4.6786246 1016 1 1 1 1149 1136 1134 1 1 1049 1199 1047 1164 1 1 1084 1422 1209 1 1165 1323 1370 1067 1427 1026 1428 1244 1097 1074 1184 1110 1256 1187 1209 1344 1 1018 1131 1142 1038 1304 1235 1320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1061 1 1 1 1 1 1 1 1 1 1 1 373.2128 *373.2302* 373.2302@4.045283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3500 3660 1 1 1 1 1 1 1 1 1 1 373.2302 *373.2315* 373.2315@4.3493137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1816 2312 1 1 1 1 1 1 1 1 1 1 373.2315 *373.3181* C21 H43 N O4 1011 1189 1357 1323 1294 1348 1080 1 1 1 1196 1269 1214 1422 1269 1 1556 1405 1 1 1051 1153 1504 1 1 1519 1220 1156 1144 1 1361 1155 1121 1 1 1242 1069 1247 1427 1019 1 1022 1324 1020 1030 1195 1 1121 1115 1 1 1 1 1 1002 1 1 1129 1 1 1 1 1 1134 1 1186 1 1 1 1 1 1 1 1025 1 1025 1 1 1 1 1 1 1216 1 1 1 1 1 1 1016 373.3181 *373.9335* 373.9335@0.8700132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 373.9335 *374.0453* 374.0453@1.1281903 1 1 1 1 1 1 1 1 1 1 1052 1088 1 1 1 1 5754 5185 3915 4026 1 1 1 1 1 1 1 1 1 1 1 1 1 3136 1 1 1 1 1 1 1 1 4242 1 2613 2574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 374.0453 *374.1316* 374.1316@3.250809 1 1 1 1 1 2319 1628 1592 1 1 1 1 1 1 1 1 1 1220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2267 2315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 374.1316 *374.1616* 374.1616@1.243547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2960 2975 1 1 1 1 1 1 1 1 1 1 374.1616 *374.1775* 374.1775@7.5499706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3123 1892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 374.1775 *374.2156* Lys Glu Val 1104 1189 1445 1534 1205 1 1560 1064 1650 1 1134 1 1218 1351 1097 1150 1 1223 1992 2095 1 1 1810 1834 1 1 1 1 1 1112 1420 1470 1 1 1 1130 2745 2558 1384 1 1 1 1 1 1950 2257 1 1712 1197 1372 1321 1428 1458 1 1 1 1077 1 1959 1 1387 1488 1 1 1222 1 1 1 1361 1411 3320 3619 1 1 1 1090 1781 1514 2336 2388 1446 1410 1065 1431 2045 1 1 1 2080 2123 374.2156 *374.2194* 374.2194@7.5836797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3829 3106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 374.2194 *375.0782* 375.0782@1.2284636 1 1 1 1 1213 1242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 375.0782 *375.1251* 375.1251@0.9964815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1420 1 1 1 1 1 1 1 1 1 1089 1 1 1 1 1 1 1347 1468 1 1 1 1 1 1 1741 1 1 1851 1 1180 1 1 1141 1 1 1 1713 1 1180 1073 1 1 1 1 1 1 1 1 1 1 1665 2295 1631 1622 1 1 1 1 1070 1 1 1 1 1 1 1 1 1070 1 1 375.1251 *375.1365* 375.1365@0.9340271 1471 1540 1596 1737 3822 3875 1095 1381 1550 1285 1 1 1557 1438 1595 1826 1 1 1 1 2096 2055 1497 2000 1 1 2156 2181 2350 2727 1158 1026 1 1 1873 1872 1 1 1 1 1729 1502 1 1 1185 1208 1729 1267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 375.1365 *375.1843* 375.1843@10.118924 1 4904 1 1 1 1 1 1 1 1 1 3168 2987 1 4500 5391 1 1 1 1 1 2769 2841 5062 1 1 1 4772 5837 3322 3130 2642 1 3579 3235 1 3028 3232 3872 1 1 1 5029 4566 3855 3889 1 1887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 375.1843 *375.1863* 375.1863@10.182836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 375.1863 *375.3026* C20 H42 Cl N3 O 2070 1854 2343 2342 1969 2622 2119 2319 2040 1799 2445 1715 1910 2997 2094 2382 1973 2551 2345 1 2674 2020 2018 1516 2357 2081 1877 1 1875 1963 2298 1254 2075 1833 1871 2202 1967 2549 2302 1802 2184 2128 1936 2141 2866 2654 2173 2172 2135 1998 1818 1870 2299 2211 2047 2443 1801 2104 2388 2143 2070 1895 2251 1912 2117 1845 1535 1855 2231 2044 2010 2239 1579 1935 1768 1837 2088 2048 1913 1930 2106 1648 2178 1 1747 1 2012 1478 1889 1948 375.3026 *375.3335* 375.3335@14.713272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9889 1 1 1 1 1 2338 1 1 1 1 1 1 2039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1286 375.3335 *375.3349* 375.3349@14.682581 1 1 1 1 1 17318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2077 1 1 1 1 1 4069 1 1 1 1 1 1 1 1 1 1 1 1 4958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11933 375.3349 *375.9219* C6 H14 Cl2 N2 O4 S4 29145 29950 28537 28450 36241 36986 36934 36068 30836 30104 30505 30413 30887 30426 29659 29946 33014 31708 26488 26398 32557 32362 30305 30515 31204 25708 31394 30482 29845 28784 33644 32315 27532 26910 33004 33613 29977 29550 29980 28864 28799 29065 31875 31290 32128 31599 34765 36108 31833 33456 31886 32656 33512 32256 28295 29145 31282 32490 31954 31009 30243 31354 22418 26946 31455 29264 31269 32108 27453 27690 28422 28482 36744 36311 30840 28847 28412 28160 27071 27191 28609 28526 33794 32420 26090 26272 26387 22415 32575 33315 375.9219 *375.9353* C11 H4 O13 S 5058 4984 5637 4980 5338 5605 5633 5355 5236 4986 4833 5253 5601 5016 5879 5101 5100 5496 5471 5513 5370 5327 4560 4757 5254 5312 4778 4962 5234 5401 5013 5121 4684 4992 4728 4774 4298 5098 5405 5440 5017 5115 5150 4718 5299 5187 5395 5070 4769 4723 5118 5311 4525 5236 4961 5771 5138 5319 4725 5036 5119 4862 5317 4762 4774 5189 5249 4826 5090 5094 5043 4854 5134 5035 4983 4882 4761 5364 5487 5068 5337 4962 4713 4777 4654 4850 4771 4895 5047 5290 375.9353 *376.0657* 376.0657@5.1242275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.0657 *376.1146* 376.1146@1.2510037 1 1 1 1 1 1032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1251 1 1 1 1 1327 1225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.1146 *376.1164* 376.1164@1.250683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1354 1036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1182 376.1164 *376.1343* 376.1343@4.1905594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.1343 *376.197* 376.197@4.9100523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.197 *376.2223* Resolvin D1 56018 1 57986 58765 58434 57223 56641 58383 56690 57400 55241 57302 1 59303 57868 57072 54883 58660 57131 55434 58001 58146 57783 58354 58330 1 57274 1 60611 53605 1 55831 56463 50809 60518 54919 54565 57601 57413 53047 50388 52929 1 57889 53425 51062 48262 2543 1 46460 3289 45488 1 1 39850 41482 37919 43303 43847 1 1 43760 1 1 40145 42448 1 41194 41430 40131 41637 1 1 42590 40663 41862 43489 39791 42341 40087 41604 39853 40482 1 1 41627 40212 36012 39240 41188 376.2223 *376.2226* 376.2226@13.66353 1 59083 1 1 1 1 1 1 1 1141 1 1 56945 2892 1 1 1 1 1 1 1 1 1 1 1 54745 1 58142 1 1 54460 1 1217 1 1 1 1 1493 1 1 7003 1 57321 1 1 1 1 49352 44396 1 39574 1 43677 43268 1 1 3474 1 1 41655 40905 1 39696 42073 1361 2420 43081 1 1 1 1 41805 41432 1 1 1 1 1 1 1 1 1 2431 40376 40433 1216 1 1 1432 1 376.2226 *376.2245* 376.2245@13.71319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.2245 *377.2324* 377.2324@13.672628 1 1 1 1 1 1 1 1 1 1 1 1 1 1078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 377.2324 *377.3425* 377.3425@14.500765 1 1 1 1 1 1 1 1668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1102 1 1 1 1774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 377.3425 *377.3472* 377.3472@14.496099 1 1509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 377.3472 *378.0778* 378.0778@1.1284873 1 1 1 1 1 1 1159 1128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.0778 *378.2315* 378.2315@13.755506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1384 1 1 1 1 378.2315 *378.2316* 378.2316@13.343473 1 1 1 1 1 1 1 8288 1 1 1 1 1 7669 1 5088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11578 1 1 1 1 1 1 1 1 2298 6118 1 1 1 1 1 1 1 1 1 1 1 1 7432 1 1 1 1 1 1 1724 3628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6082 1 1 1 1 378.2316 *378.2325* Doxapram 10785 11205 13532 2660 13016 10194 1 1 1 1 11458 9435 1 10105 10894 3930 8811 8606 7623 8997 11087 1 1 11737 1 10879 10205 12365 10301 11019 10046 9594 9646 1 1 10713 10731 1 10355 11873 10865 10416 12177 2514 1 1 1 1 5110 10522 1 7532 1 9774 8612 10953 3690 8326 1 1 1 1 1 9809 7539 1 3721 1 1 1 1 8644 1 8940 1 1 8027 9976 9285 7418 1 1 7831 8258 8944 4213 10627 9658 7106 1 378.2325 *378.2334* 378.2334@14.138096 1 1 1 9281 1 1 1 1 1 1 1 1 1 1 1 8130 1 1 1 1 1 5186 14043 1 9443 1 1 1 1 1 1 1 1 6275 12015 1 1 11730 1 1 1 1 1 6907 8986 1 9864 8333 1 1 8958 1 6724 1 1 1 4021 1 1 9209 10015 9011 8540 1 1 9100 4999 9619 1 7002 8372 1 1 1 8129 8887 1 1 1 1 5792 8803 1 1 1 3316 1 1 1 9208 378.2334 *378.2421* 378.2421@5.1154885 1 1 1811 2198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1185 1 1 1 1 1 1320 1132 1 1 1 1 1264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1817 1988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.2421 *378.2422* C15 H34 N6 O3 S 8287 9031 33242 32193 15980 16382 12939 13247 14372 13593 12525 12884 17518 17951 8432 8388 11030 10582 13022 12408 9520 9317 8364 7952 20046 1 25479 1 10505 11676 26528 27432 7921 8359 9440 10183 14912 13629 12470 12427 12421 12617 16947 17901 26177 23345 12991 11890 8534 7927 5182 5430 12502 11972 5513 6001 6585 7198 5470 5081 13532 12997 10083 8733 12998 12771 4868 4870 25329 25157 21231 22790 7212 6884 6402 6568 22434 21576 17640 16837 6100 6839 5710 5392 9496 9963 6845 6473 5009 5532 378.2422 *378.2439* 378.2439@13.736251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.2439 *378.2522* 378.2522@13.736693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.2522 *378.2581* 378.2581@13.7316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2081 1 1 1 1 378.2581 *378.744* 378.744@5.493278 1 2449 11520 11867 5270 4992 4551 4473 4871 4167 4208 4016 5448 5725 2479 2822 3146 3289 3876 4307 2993 2782 2630 2228 6822 6374 9235 8220 3657 3713 8817 8764 2429 1986 2703 3118 4860 5045 4038 3965 4396 4303 6016 5501 8145 7724 3777 3920 2907 3008 1652 1762 4109 4306 1745 1920 2502 2176 1664 1811 3932 4079 3321 2894 4875 4144 1665 1538 7913 8417 7209 7305 2514 2168 1770 1940 7007 6872 5765 6082 1961 2261 2179 2017 2794 2553 2278 2172 1796 1685 378.744 *379.0876* 379.0876@3.248496 1 1 1 1 2039 1627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1939 1573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 379.0876 *379.1246* C15 H21 N7 O S2 6490 7523 2387 2576 4275 4315 3915 3717 4509 3905 3154 3882 6365 6735 8711 8490 4762 5066 4199 4407 3784 4130 4997 4883 6025 6232 2110 1748 3426 3647 5312 5034 2497 2582 5697 5736 4376 4998 8173 7304 6598 7072 4563 3175 6619 6042 3865 4023 3580 3324 5754 6363 4358 4508 5980 5310 6268 5970 5838 5459 2602 2834 3520 3535 2569 2640 4336 4439 3195 3044 4896 4659 3996 4318 3521 2751 4382 4660 3236 3246 3208 3590 5379 5260 4887 4364 2356 2504 5127 4880 379.1246 *379.1437* 379.1437@0.91577077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1243 1410 1 1 1 1 1 1 2276 1979 1 1 1 1 1 1 1 1 1 1 379.1437 *379.2147* C24 H29 N O3 21601 22719 1 1 30876 29974 1 1 9199 8762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32265 33249 1 1 1 1 33031 33610 39312 37524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25603 24501 1 1 1 1 23874 23715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 379.2147 *379.2358* 379.2358@13.320977 1 1 1 1186 1 1 2279 1 1 1 1 1 4707 1 4317 1 1 1 1 1 1 1 1 1 1 1 1453 1038 1 1 1 1 1 1 1 1970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3664 1 2247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1289 1 1 1 1 2996 1 1 1 1 1 1 1 1 379.2358 *379.2642* 379.2642@13.745728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 379.2642 *379.2754* 379.2754@13.7372465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 379.2754 *379.294* C19 H41 N O6 2655 2917 3003 2401 2619 2729 2432 2635 2862 2881 2889 2802 3223 2984 2202 3193 3206 2533 2047 3155 2745 2062 2642 2972 2622 2068 3508 2683 2601 2239 2581 2178 2587 2551 2717 2205 2554 2649 2607 2007 2198 2837 2003 2250 2987 3788 3415 3295 3160 2779 2690 3453 2979 3413 3313 2628 2952 3418 2983 3009 3262 3053 3229 3400 3070 2579 2429 2769 2861 3326 2929 2293 2041 3223 3141 2873 1925 2906 2803 2754 2883 3019 2370 2451 2681 2707 2674 2940 2029 3067 379.294 *379.3296* C21 H41 N5 O 11436 10272 10463 1 10810 10327 10552 10100 10059 1 10788 10331 10764 10739 9914 1 10010 9256 8901 10720 10125 10297 10447 1 10982 10275 1 10271 1 9824 10242 9492 1 9822 1 1 8848 1 1 1 9621 1 1 9493 1 1 9103 9056 9072 8327 9348 7870 8340 8345 7951 8834 2058 9180 8722 8361 7877 8873 9190 1 8433 8228 1 1 8083 1 1 7796 8094 7915 8611 1 8330 7679 8340 2040 6836 7856 7329 7770 8237 7759 7631 7975 1 8285 379.3296 *379.3303* 379.3303@12.755564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6164 1 1 1 1 1 1 1 1 1 1 379.3303 *379.763* 379.763@0.84111524 7116 7288 7678 6821 7554 7069 6856 6566 6904 6985 7002 7202 7016 7406 7573 7274 7410 7267 6860 7016 6987 7320 7367 7407 6876 7197 7068 7344 7385 7057 7351 7030 7851 7574 7634 7414 7776 7264 8208 7165 7324 7252 7594 7135 7253 7169 7547 7033 7545 7644 7006 7364 7496 7475 6592 6755 7101 7289 7527 7444 6898 6900 6834 7588 6775 6860 7181 7155 7126 7051 6910 7310 7210 6582 7022 7399 6750 6845 7106 7022 7188 7042 7819 7527 7314 7031 6535 6897 7140 6847 379.763 *379.9164* 379.9164@0.8856737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3878 1 1 379.9164 *379.9198* C7 H9 Cl N2 O8 S3 1497 1 1384 1192 1385 1560 1432 1528 1449 1210 1482 1 1396 1 1381 1296 1410 1445 1327 1512 1354 1414 1 1442 1468 1417 1210 1 1457 1300 1201 1 1234 1542 1426 1846 1250 1609 1464 1386 1333 1 1205 1350 1 1393 1 1431 1223 1087 1264 1313 1 1 1342 1421 1553 1599 1293 1167 1208 1 1345 1236 1400 1464 1520 1 1264 1334 1466 1 1379 1338 1262 1648 1323 1154 1331 1380 1359 1243 1346 1147 1270 1404 1 1373 1232 1 379.9198 *380.1408* 380.1408@1.0890117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1253 1313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.1408 *380.1423* 380.1423@3.2378266 1 1 1 1 1 1 3772 1 3272 1 1 4323 1 1 1 1 1 5003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3680 1 1 1 8018 1 3236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5025 1 1 1 1 3341 1 1 1 1 1 3602 1 1 2783 1 1 1 1 1 1 1 1 1 1 380.1423 *380.2444* C19 H40 O3 S2 8503 7574 8353 7752 8179 7630 9033 8775 8045 8060 7851 7827 8961 8636 8295 8131 7244 8164 8718 8183 8810 8148 8024 8776 8419 7526 8225 8651 7887 8321 8515 7823 8420 7237 7808 8805 8469 8658 7542 8426 8373 7405 8714 7973 7905 6838 5759 6583 6063 6862 6685 5834 6261 6510 6434 6875 4708 7273 6777 6991 7233 6286 7640 7911 7905 8011 6328 5872 7201 6481 6582 6395 6890 6222 6397 6651 5003 6589 6313 6410 6640 6406 6268 6770 5929 6526 6863 6571 7026 6285 380.2444 *380.2448* 380.2448@8.648629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.2448 *380.245* 380.245@13.176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.245 *380.2578* 380.2578@13.537858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.2578 *380.2616* C17 H32 N8 O2 2245 2234 2860 1 1751 2080 2096 1963 2126 4099 3114 3046 2751 2107 2392 2215 2782 2333 2343 2189 2124 2890 2056 2562 1 1813 2439 2043 2345 2461 3490 2764 2163 2120 2164 1 3420 2568 2966 2556 2136 3125 1 2342 2391 1 3011 2348 2582 3199 2520 2525 2456 2926 2625 2580 3241 2427 2571 2241 2666 1872 2263 2672 3025 2429 2180 3085 1997 1 2759 2603 1 3136 2660 2710 2494 2103 1775 1 3527 2873 2276 2476 2549 3183 2882 3029 1891 2214 380.2616 *380.274* 380.274@13.550089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.274 *380.2843* 380.2843@14.136692 1 1 1 1 1 1 1 1 1 3004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.2843 *380.286* 380.286@13.169842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1069 1 1 1 1 1 1 1 1 1 1 1 2177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.286 *380.2879* 380.2879@14.188771 1976 4093 1 1447 2244 1 1981 1 1 1 2029 2029 1 1 1 1 1 1 2682 1445 1 1 1 1 1 1646 1 1 1 1647 1875 1681 1 1449 1 1 1 1 1 1 2258 1582 1482 1 1 3291 1 1 1 3116 1654 1912 2501 1 1443 1810 6080 1 2322 1 5465 1 1 1 1 1 1315 1721 2025 1 1 1 1 2160 1 1 1 1 1 1 1 1651 1 2072 2459 1 1 1921 1644 1 380.2879 *380.2904* 380.2904@14.782231 1 1 1 1 1 1 1 1 1 1 1 2078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4580 2521 1 1 1985 2287 1 1 1 1 1 1 1 1 1 1686 1 1 1 1 1 1 5502 1 1 1 1189 1 1 1481 1 1 1 1 3345 1 1 1 1 1 1 1 1 1 1 2464 1 1 1 1 1 1 1 1 1701 1 380.2904 *381.2263* 381.2263@6.4598775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 381.2263 *381.2367* Leu His Leu 1050 1252 1 1294 1189 1 1094 1134 1 1430 1 1163 1 1050 1 1 1010 1 1228 1019 1305 1237 1 1 1 1 1 1085 1024 1 1399 1569 1 1 1123 1158 1091 1423 1433 1 1001 1041 1 1 1 1193 1076 1270 1375 1212 1294 1317 1083 1135 1025 1 1225 1259 1158 1217 1049 1269 1 1159 1 1 1 1274 1399 1 1184 1 1066 1200 1249 1289 1 1391 1274 1397 1 1187 1098 1074 1017 1 1 1076 1 1041 381.2367 *381.2676* Quinestrol 1522 1378 1 1304 1418 1383 1122 1685 1782 1115 1 1334 1641 1 1451 1 1544 1701 1881 1184 1463 1 1588 1916 1840 1 1657 1539 1430 1331 1793 1220 1 1462 1468 1168 1576 1486 1613 1591 1867 1494 1 1677 1839 1391 1 1 1911 1 1469 1612 1487 1 1689 1 1 1225 1 1 1 1299 1452 1460 1311 1184 1283 1 1556 1378 1579 1 1 1 1138 1 1230 1538 1353 1 1287 1265 1474 1295 1513 1 1334 1453 1 1167 C07619 381.2676 *381.293* 381.293@14.739945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4947 1 1 1 1 1 1 1 1111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 381.293 *381.2952* 381.2952@14.747753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 381.2952 *381.4324* 381.4324@13.911201 1 1 1 1 1 1 1 1 1 1 1 1 1307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 381.4324 *381.7599* 381.7599@0.840782 11537 12570 11881 11442 11715 11823 11047 11384 11654 11458 11405 11113 12730 11835 12155 11800 11418 11535 10891 11139 11251 11429 12053 12029 11968 11240 12292 11752 11192 11870 11155 11101 11470 13795 11267 12390 13181 11843 12847 12086 11931 11252 11396 13131 11477 11005 13011 11256 12654 12592 11499 11346 11729 11426 10876 10702 12310 11819 12606 11967 11985 10863 10966 11964 11647 11138 11111 11174 10931 12652 10918 11023 10552 11116 11082 12616 10948 10353 11225 11188 10884 11909 14100 11702 11420 11141 10970 10703 11314 11510 381.7599 *381.8978* 381.8978@0.8825122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1149 1 1 1 1 1 1 381.8978 *381.9062* 381.9062@0.8830177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 381.9062 *382.1082* 382.1082@1.1180426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1200 1 1 1 1 1 1 1307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.1082 *382.1083* C22 H14 N4 O3 1629 1433 1930 1125 2820 3619 3088 2735 1497 1597 1839 2021 1228 1341 1 1 2033 2345 1 1103 2989 2914 1395 1460 2241 2503 1318 1721 1 1 2685 1912 1 1 3524 3159 1 1 1088 1 1241 1287 2604 2140 1521 2011 3505 3197 2081 2099 4482 2150 3093 2933 2297 2150 2124 1598 1730 1686 2724 4536 1587 1032 2178 3233 1491 1 1672 1957 1663 1 4297 5359 1918 2190 1374 3311 1 1 2171 1 3241 1484 1179 1467 2270 1750 2125 3102 382.1083 *382.1084* C10 H18 N6 O10 3423 4793 2231 2882 7838 8591 8844 1 4203 1 4417 3931 5531 3906 3799 98500 2132 6207 3349 2114 4468 4596 4047 4508 6801 1136 3089 4334 4060 127902 3574 3704 3313 3602 4613 4220 1 1 1919 2964 3598 3671 6125 5218 4727 1 5967 6178 1373 4457 4294 1 3561 1 6299 6634 5354 1 4018 4695 2311 2333 1 1 2868 3544 3879 3037 1 1 1 1 9351 7118 4485 4836 1 2545 1 1 2410 2441 5319 4539 1868 2208 1896 1963 4809 3631 382.1084 *382.1097* 382.1097@3.582281 1 1098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1064 1148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2313 1 1 1 1 1 1 1 1 1 2443 1 1 1 1 1 1 1 1 1 1188 1 1 1 1 1031 382.1097 *382.1098* C11 H14 N10 O6 + 0.94420767 439671 1 369854 1 1 1 1 3341 456923 1 1 1 1 459668 434672 325096 519389 1 382198 1121 1 1 1 426752 1 2453 1 378529 1 342989 571351 567559 1 1 1 1277 1 1 410186 1 404884 1 1 1 1 5501 1 1 3256 1 1 564347 1609 1 527831 1 1395 1 1508 1 2663 464402 345640 347293 1406 1 424306 429172 1 336819 406441 406321 3510 1 1 1 1 387178 1 1 398063 1 1641 528154 1 1323 26861 269700 632629 1 382.1098 *382.1099* C11 H14 N10 O6 6484 450110 5038 372651 809703 808555 798521 790025 3180 453771 422609 417668 461148 8959 8804 8570 10056 508071 9626 388422 530494 531210 427053 4764 537207 537996 381526 6700 477238 3650 7471 7561 318097 320172 566216 578355 413499 418860 6545 394585 1891 416125 471597 467185 591377 595990 685417 688781 454772 446745 561406 4977 588820 594050 6692 497524 616857 620311 581126 579791 461790 5049 9773 10113 453701 440374 14731 16139 332907 5853 8274 8307 737057 751093 430426 439573 387781 4990 302297 303228 7037 424532 546022 8282 377033 378115 246011 3771 7702 634623 382.1099 *382.1342* 382.1342@1.2445239 1075 1179 1832 2618 1979 2875 1339 1320 2812 2975 2010 1710 1773 1 1 1 2201 1784 2441 2897 1 1 1 1 1 1 3755 2722 1 1 1 1 2849 2612 1 1 1 1 1 1 1 1 1 1 2420 2819 1 1 1567 1418 1 1187 1 1 1 1 2398 2138 1 1 1 1 1 1 1 1120 1 1 2848 1 1983 2061 1 1 1759 1642 1 1 1 1 2010 2145 1 1 1 1 1 1 1 1 382.1342 *382.1411* 382.1411@1.2463888 1 1 1 1 1 1 1 1 1 1 1 1 1 1848 1 1402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2703 1 1 1 1 1 1 1 1094 1 1 1 1 1 1 1 1 1 1 1 1 382.1411 *382.1445* 382.1445@1.244688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1148 1 1 1 1306 1230 1259 1282 1139 1331 1000 1 1 1 1 1 1 1069 1 1 1 1 1088 1189 1 1 1 1 1 1 1 1 1512 1460 1 1 1 1 1 1 1 1 1 1104 1 1 1 1 1 1 1 1 1043 1310 3064 2216 1281 1133 1 1171 382.1445 *382.2208* 382.2208@14.143539 1 1 1 1 1 1 1 1 1 1 1 1 1 2105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.2208 *382.2714* 16,16-dimethyl-PGF2beta + 11.429014 2395 2523 2259 2627 2488 1 2478 2655 29674 2649 2166 2239 1 2530 1 1 2267 2326 2067 2587 2648 1 1 2472 1 1 2613 30795 2024 2337 2545 1195 31514 2382 2410 1 2305 2234 2393 32535 2461 2410 2283 1 2522 1 1 1308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1390 1 1 1 1 1 1 18822 17184 1 1 1 1 1 1 1 1 1 1 1 1 1 382.2714 *382.2718* 16,16-dimethyl-PGF2beta 6280 7481 1 3313 1 1 1 1 6547 6717 5161 5096 1 8310 7434 6750 8367 6791 1 1 8518 7781 1 5074 1 9428 4437 1 1 6972 9936 9151 1 1 10834 10331 1 1 6074 1 1 1 1 1 7602 1 13042 11507 1 6751 11326 1 7984 8574 1 1 9978 6622 8327 1 1 6511 1 1 1 5987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4634 6635 7812 1 1 1 1 1 9232 1 382.2718 *382.2747* 382.2747@13.213421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.2747 *382.335* 382.335@0.8887578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1841 1 1 1 2724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1877 1 1 1 1 1 1 1 1 382.335 *382.3388* C20 H42 N6 O 2056 3103 1634 1 1 1 1 1 2846 2803 1961 2665 3426 2406 1 1863 1 3433 1827 2030 3535 1 1 2777 4256 3704 1 1 3564 3397 3453 3492 1 1 3091 3746 1 2595 2626 2208 1865 1458 3602 1 4443 3639 4710 5275 3101 2553 3338 4668 3995 4030 3878 3971 4200 4056 4085 3274 3140 3111 1 1 2705 2208 1 2575 1 2300 3170 1 1 1 2283 2788 2399 1 1820 1654 1 1 3641 3383 1718 1980 1 1 3496 4832 382.3388 *382.3481* 382.3481@0.8969951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.3481 *382.4025* 382.4025@0.8870201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1372 1 1 1 1 1 1614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.4025 *382.4103* 382.4103@0.8989913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.4103 *382.4276* 382.4276@0.89300835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1231 1 1 1 1 1 1 1 1 1 1139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.4276 *382.4384* 382.4384@0.88849914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.4384 *382.4466* 382.4466@0.8890081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1541 1 1 1 1 1 1 1 1 1 1 1 1 1150 1 1 1 1 1 382.4466 *382.4559* 382.4559@0.8860082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.4559 *382.7303* 382.7303@0.89101356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.7303 *382.7514* 382.7514@0.89706564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.7514 *382.7623* 382.7623@0.8929785 1 1 1 1 1 1 1385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.7623 *382.7757* 382.7757@0.8860061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.7757 *382.7873* 382.7873@0.8926625 1 1 1 1 1325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.7873 *382.8035* 382.8035@0.89199144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.8035 *382.8431* 382.8431@0.8880243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1158 382.8431 *382.9134* 382.9134@0.8890343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.9134 *382.9237* 382.9237@0.89300704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.9237 *383.0808* 383.0808@5.3251843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 383.0808 *383.1079* Succinoadenosine 8606 9380 9175 9914 9536 9604 11939 11409 12513 12294 8706 8531 10976 10747 7454 7468 9252 11460 14181 12939 11146 11455 11296 12348 6522 6141 8349 8133 8885 9421 14599 14019 9908 10550 11147 11471 25004 22865 12423 13400 15857 15909 12667 13368 16773 16491 12333 13093 11212 11241 11468 11583 15207 15586 8152 7834 8097 7457 17086 17415 13458 12096 12013 11947 10807 10992 6703 7059 14801 15985 19628 18198 9502 8860 9972 10491 14264 14164 16272 17629 11385 10283 7148 9002 12885 12944 9812 9469 17280 18633 HMDB00912 383.1079 *383.1343* 383.1343@0.96400625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 383.1343 *383.1405* 383.1405@0.97600424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2070 1598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1317 1 1 1 1 1 1 1 1 1 1 1 1 1458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 383.1405 *383.1873* 383.1873@13.304199 1 1 1 1178 1 1 1 1 1 1 1 1 1 1 1 2207 1 1 1 1 1821 1 1 1 1 1 1 1 3007 1 1 1 1 1 1 1 1 1 2950 1 1 1 1 1 1 1 1 1 1 1 1 1 1090 2474 1 1 1 1 1 1 1 1 1 1195 1 1 1 1529 1 1 1 1 1 1 1 2057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 383.1873 *383.1882* 383.1882@13.332442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 383.1882 *383.2245* 383.2245@12.524139 1 1 1 1 1 1 1 1291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 383.2245 *383.2802* 383.2802@0.8950167 1 1 1 1 1 1 1 1500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 383.2802 *383.2873* 383.2873@7.008077 1 1 1 1 1675 1 1 1 1161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 383.2873 *383.3412* 383.3412@13.99867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 383.3412 *383.3474* 383.3474@0.8940185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 383.3474 *383.3558* 383.3558@0.890004 1 1 1 1 1 1 1 1091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 383.3558 *383.7574* 383.7574@0.8414372 8154 8190 7885 7770 8126 8021 7804 7308 7456 8071 7631 7594 7897 8152 8236 7857 7787 7915 7412 7350 7901 7946 7760 9575 8026 7577 7913 8899 7616 7769 7673 8548 7908 8798 8011 8002 8227 7682 8408 9313 7523 7426 7584 7455 7165 8317 7797 7648 8529 10047 8170 7641 8287 9368 7379 7277 7617 8158 8025 8230 7678 7856 7194 7800 7428 7712 7803 9332 7384 7599 7787 7507 7533 7472 7221 7153 7363 7131 7731 8404 7435 7676 8013 7890 7781 7090 7739 6995 7848 7749 383.7574 *383.7653* 383.7653@3.9364905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1072 1 2570 1 1728 1637 2356 2087 1 1 1 1 1 1 1 1467 1 1 1575 1896 1 1734 1 1235 1 1 2287 2537 383.7653 *383.7655* 383.7655@4.087472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1450 1 1 2170 1554 2549 3354 4240 4217 4131 1731 2011 1 1 1 1 3240 2825 1 1 3533 3500 3343 3733 2359 1512 1532 1672 5573 5499 383.7655 *383.7657* 383.7657@4.194647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 2224 2460 1 1 1 1800 2401 2461 2301 1 1082 1 1 1 1 1721 1 1 1 2006 2042 1535 1474 1 2187 1 1 3663 3383 383.7657 *383.8859* 383.8859@0.88326895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1443 1270 1 1 1 1 1 1 1 1 1267 1 383.8859 *383.9652* 383.9652@0.87900907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 383.9652 *384.1383* 384.1383@4.2026224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1515 1680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.1383 *384.1496* 384.1496@12.735295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.1496 *384.1744* Thr His Gln 3926 2597 2140 2639 1303 4229 2666 2471 1 3983 3592 3601 3239 2838 3239 1 1 3320 1064 3053 3155 2935 2610 1 1 2709 3683 1 2491 3996 3111 1 1020 2884 1768 2754 3053 1 1 3119 2647 1 2351 1 4031 1 2752 2801 1 3603 2355 2640 2549 3024 2092 2860 1 2313 2317 1 1 1 1807 1 2054 1734 2584 2455 3934 1670 1 1 2372 1 1 1767 1973 2780 2721 2889 2149 1888 1 1 1218 1 2162 1 1 1 384.1744 *384.1766* 384.1766@11.3097105 1 1 1 1400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.1766 *384.1914* 384.1914@13.197239 1 1 1 1 1695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1174 384.1914 *384.1983* 384.1983@13.209915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1081 1 1 1 1 1 1 1 1138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.1983 *384.1992* 384.1992@4.4083056 1 1 1 1 1 1 1 1 1 1 1 1 2228 49288 1 1 293581 293906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28067 29524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36999 37499 1 1 1 1 1 1 1 1 1 1 384.1992 *384.2147* 384.2147@14.1369915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.2147 *384.2227* 384.2227@14.261472 1 1 1 1 1 1 1050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1152 1 1 1 1 1 384.2227 *384.2276* 384.2276@14.266676 1 2556 1 3815 2473 1 1048 1 1 1 1 4015 1 1 1 2522 1 1 1 1 2330 1 1 1 4316 2419 2903 1 1 1249 5043 3292 1 1 3110 1 1 1 1 1 1 1 2912 2407 2978 1 1 2870 1 1740 5107 1027 1 1 1 1 1 5946 1 1647 1 1085 1 4368 1 3801 3005 1 1 1 3497 1 4107 1 1 1 1 1 4426 3522 1 2911 4979 3035 1 1 1 1 1275 1 384.2276 *384.2612* 384.2612@11.27444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.2612 *384.2657* C21 H32 N6 O 1618 1470 1831 1836 1 1 1788 1907 1766 1884 1633 1533 1398 1337 1 1538 1981 1827 1459 1400 1470 1835 1977 1844 1687 1487 1587 1 1537 1410 1879 1 2015 1506 1438 1 1507 1382 1 1642 1591 1387 1 1422 1378 1276 1 1 1 1588 1 1186 1085 1400 1328 1 1069 1 1 1 1 1 1 1 1 1 1005 1 1 1075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1165 1 1 1 1 384.2657 *384.2662* 384.2662@4.2191563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1247 1 384.2662 *384.2665* 384.2665@4.06031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1213 1 1 1 1849 1850 2095 1613 1 1 1 1 1 1 1290 1 1 1 1656 1528 1196 1806 1 1 1 1 1262 2466 384.2665 *384.2683* 384.2683@4.1427164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2488 1695 384.2683 *385.1335* Tyr Cys Thr 3740 3107 2890 2863 6623 6020 1 1 3991 3651 2832 2560 3079 3692 1 2637 1 4373 3214 2646 1 4452 1 1 1 1 3845 2701 3010 3234 1 1 3039 2511 3848 1 3612 3049 2779 1 3439 3391 3931 4190 3502 4328 1 5924 2754 2838 4567 4480 1 1 3694 3572 1 1 3575 1 4139 3932 2398 1 4181 3282 3027 3263 3138 2732 1 1 1 1 1 1 2803 2784 1672 2872 2936 1 1 1 1 2318 2335 2146 5789 5682 385.1335 *385.1374* 385.1374@0.89799464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4076 5309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 385.1374 *385.2295* 385.2295@4.812469 1 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3962 3853 1 1 1 1 1 1 1 1 1 1 385.2295 *385.2305* 385.2305@4.8828697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3217 2954 1 1 1 1 1 1 1 1 1 1 385.2305 *385.2309* 385.2309@4.9738793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2118 1954 1 1 1 1 1 1 1 1 1 1 385.2309 *385.2327* C17 H31 N5 O5 1874 1490 3335 2866 2678 2374 2595 2074 2286 2191 2242 2347 2854 2969 2010 1744 2096 2608 2069 2188 2347 2043 1492 1756 2739 2591 2450 2182 2327 2447 2824 3136 1951 1 1980 2022 2519 1987 1526 2258 2140 2058 3797 3868 2608 2254 2295 1732 1410 1616 1 1390 1636 1717 1 1 1314 1417 1350 1028 1907 1558 1673 1341 1708 2048 1029 1 2921 2790 3406 2749 1 1 1089 1339 2429 2118 2999 2742 1 1070 1 1 1806 1395 1393 1 1 1 385.2327 *385.7316* 385.7316@5.4909 1 1 1033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 385.7316 *385.7479* 385.7479@0.84201574 2711 8725 2669 2950 2707 3136 1 2946 2691 2754 2736 12533 2633 3537 2840 2458 2631 2691 2960 2794 2446 2555 2961 2950 2717 2532 8864 2715 2591 2830 2719 3018 9308 2639 2974 2993 3600 2666 2984 2939 2672 2562 2980 2646 2950 2876 2430 2839 3055 2780 2652 2827 3068 2525 2584 1 2757 2503 2418 2884 2813 2545 1 2606 3043 2799 2547 2975 2496 2890 2687 2779 2723 3696 2735 2631 2690 5910 2487 2735 2805 2771 3140 2305 7996 2792 2740 2488 2523 2302 385.7479 *385.9513* 385.9513@0.88221055 1 1 1 1 1 1 1042 1095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1031 1 1 1 1 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 385.9513 *386.1291* 386.1291@0.85122484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1793 1 1 1 1 1728 1350 1 1178 1 1 1 1416 1 1 1 1 1 1 1 1 1 1 2238 1 1 1 1 1 1 1 1 1 1 1 1437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1422 386.1291 *386.1736* Lys Cys His 1 1 3867 3976 1 1 1 1 1 1 1 1 3646 3598 8436 5927 3210 3107 1 1 1 2303 1 1378 1 1 3599 3760 3721 3540 1 1 1 1 4391 3470 3083 3139 1 1 4412 1 3302 3172 1946 2981 1 1 1 1 1 1 5061 4847 4536 4725 2214 2704 3084 3312 1 1 1 1 1 1 1 1 1 1 1 1 2382 1 1 2308 1 1 5315 6133 1 1 1 1 1 1 2647 1371 2593 1 386.1736 *386.1858* C22 H22 N6 O 3233 6965 9532 8691 5302 5704 7507 7526 3926 3694 7863 7592 4905 4899 10162 11191 6607 6104 8672 8717 10866 10721 6787 4469 12346 13040 10600 10268 7319 7311 12444 11727 6615 7834 5585 4979 7100 5532 5166 4920 3156 2618 3132 2949 4998 3164 8856 8701 4166 4251 11891 10419 14228 12915 6708 8032 4307 4659 8270 7274 9421 9215 4596 4993 5293 5049 4251 4352 5734 5975 4696 4757 4261 4526 4263 3953 8259 8093 4907 4715 8053 7715 9865 8803 3715 3781 3219 3018 9611 10747 386.1858 *387.1019* 387.1019@0.9124369 1 1 1 1 1 1 1 1 2030 2132 1 1 1186 1 1 1 1 1 1847 1728 1 1 1 1 1 1 1 8030 1 1 1 1 1481 1 1 1 1 1 1995 1846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.1019 *387.1163* 387.1163@1.2073551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2271 1081 387.1163 *387.1184* 387.1184@1.2395247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1830 387.1184 *387.1271* 387.1271@2.9863946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2226 2145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4023 3902 387.1271 *387.1914* 387.1914@4.9371486 1 1 1 1 1 1 1 1 21226 22272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5939 5328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12283 13206 6037 5694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.1914 *387.2282* 387.2282@4.228953 1215 1 1069 1280 1034 1 1 1 1 1 1 1 1324 1218 1 1 1289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1122 1001 1 1 1 1 1 1 1 1 1 1 387.2282 *387.2447* 387.2447@4.5697494 1317 1 1 1 1 1235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14590 1 1 1380 1 1 1 1 1 1 1 1 1 1 1 2878 1 1 1 1 1 1 1 1 1 2991 1989 1 1 1 1 1 1 4367 1 1 1 1 1226 1 1 1 1 1 1 1 13003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.2447 *387.2457* 387.2457@4.5577908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2137 1 1 1 1 1 1 1 1 1 2431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.2457 *387.2465* 387.2465@4.061484 1 1 1495 1593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1543 1293 1 1 1 1 1 1 1 1 1 1 1 1124 1764 1415 1089 1264 1 1 1 1 1 1 1 1 1 1 1 1 1 1009 1 1 1 1 1 1 3075 2822 2226 1661 1 1 1 1 1387 1223 1787 1886 1 1 1 1 1 1 1 1 1 1 387.2465 *387.2592* 387.2592@5.915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.2592 *387.3008* 387.3008@11.2042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4494 1 1 1 1 1 1 1 1 1 1 1 1 1 4165 2966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.3008 *387.3037* C12 H33 N15 + 11.291858 4458 4134 4127 4126 3956 4568 4890 4457 4807 4314 3909 4340 4084 4276 4152 4096 4252 4086 4471 5072 4584 4190 4195 4367 4149 4159 4143 4574 3159 4451 4194 3999 4602 3742 4363 4186 4987 3741 4762 4367 4024 5114 4571 3895 4760 3514 3442 2804 3355 4034 4338 3633 4526 3929 4069 3639 3707 1 3887 4307 3520 3671 3185 3683 3441 3423 2921 3452 3497 3566 3744 1 3636 3171 3625 4989 4198 3326 4488 3783 3644 4197 3372 3456 3995 3054 4181 4291 3222 3707 387.3037 *387.3047* C12 H33 N15 3581 4182 3683 4647 3570 4266 3874 4097 3880 4007 3812 3270 3859 4160 3730 3725 3608 3416 3620 4037 3713 3885 3156 3955 4012 3770 3737 3761 4374 3599 3805 3288 3902 3491 3703 3714 3795 3666 3633 3898 3247 3751 4054 4402 4343 3837 1 3396 2399 2873 2575 3071 3601 3043 3437 3292 3027 3338 3140 2461 3279 3384 2894 3076 2894 2474 2954 2290 2457 2261 3399 3176 1 2359 3326 3073 2995 2966 3308 3344 2221 3124 2927 3359 2757 3122 2959 2798 2585 3009 387.3047 *387.3834* Cholest-5-ene 2117 2276 1649 1 1842 1914 2176 2152 2469 2043 1863 2035 1705 1 1 1705 1572 2050 2237 2473 1797 2232 2227 1711 1960 2236 1631 1601 1653 1899 2023 1857 1846 2175 1983 1893 1850 1802 1926 1962 2096 1810 1918 2141 2564 1514 1 1 1593 1843 1548 1068 1738 1740 1357 1 1 1 1 1595 1445 1 1748 1615 1729 1 1 1755 1232 1 1 1 1476 1 1728 1660 1 1800 1 1593 1654 1551 1545 1610 1 1693 1 1 1535 1645 HMDB00941 C05416 387.3834 *387.4137* 387.4137@4.4271 1 1 1 1 1 1 1 1 1 1 1 1 1 3106 1 1 1 1 1 1 1 1 1 1 1 1 3191 1 1 1 1 1 1 1 1 2361 1 1 1530 1 1 1 2362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.4137 *387.9292* 387.9292@4.4334955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.9292 *387.9565* 387.9565@4.4296637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.9565 *388.0386* 388.0386@0.8249929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4693 3346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.0386 *388.1058* Zopiclone 3744 2815 3049 2782 2474 2898 2411 1 2783 2196 1 2252 1753 1 2245 2136 1027 2120 1 1 2211 2362 2175 1761 1 2241 1 1648 2504 1 1609 2132 1 1910 1 1922 1887 1 1 1 1803 1 1961 1 2540 3066 4679 6013 5747 6172 6426 5871 6052 5360 5830 4894 4904 1787 4003 3937 3812 3619 3765 3670 2534 1184 2793 3472 2334 2686 3062 2839 1 1876 1 2150 1948 1 1 2286 2121 2032 1 1794 1 1 2155 1 1 2117 C12808 388.1058 *388.1186* 388.1186@5.23077 1 1 8725 7895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.1186 *388.1558* 388.1558@7.5094633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7913 7713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.1558 *388.1693* 388.1693@1.2380466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1681 1703 1 1 1 1 1 1 1 1 1 1 388.1693 *388.2065* 7alpha-(Thiomethyl)spironolactone 1 1 1392 1432 1 1 1068 1 1 1 1372 1475 1 1 1 1 1 1 2096 2117 1 1 1 1 3877 3792 1 1 1 1 9894 10606 1 1 1028 1 1 1 1598 1797 1 1 1636 1369 3051 3102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4979 5327 1114 1343 1757 1382 1 1 9990 10143 3286 3692 1 1 1 1 2160 2662 1 1 1 1 1 1 1 1 1 1 1 1 388.2065 *388.2492* 388.2492@4.51159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1153 1 1 1 1 1 1 1 1 1 1 1 1 1 1987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.2492 *388.2694* 388.2694@5.918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.2694 *388.2877* 388.2877@13.1446495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 1 1 1 1 1 1 1 1 1 1 1 1 1 388.2877 *388.2945* 388.2945@13.146582 1 1262 1 1 1 1 1081 1 1 1 1371 1 1 1 1584 1136 1 1 1 1 1 1049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1254 1 1 1 1 1 1 1 1 1 1 1 1 1 1162 1 1 1 1 1 1 1 1 1417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1327 1 1 1499 1 1 1 388.2945 *388.4158* 388.4158@4.4344954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.4158 *389.0557* 389.0557@1.2275461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2795 2843 1 1 1 1 1 1 1 1 1 1 389.0557 *389.0986* C17 H11 N9 O3 6031 6092 3496 4061 8431 8627 7051 6943 6395 6094 4162 4019 5934 5967 3261 3248 3105 3357 3926 3563 4067 3676 8191 8062 5297 5462 5111 1 3991 4113 3053 2918 4329 4443 5841 6177 5863 5488 3603 3438 4474 4447 8656 8866 6570 6607 8359 9343 4443 4373 7738 7835 6536 6267 5247 5529 3708 3517 3588 3742 6598 6225 3914 3786 7435 7400 5252 5873 4811 4644 2267 2452 5863 5551 3772 3544 4383 4604 1891 1867 5305 5654 3984 3605 3005 2921 4030 3773 7389 6924 389.0986 *389.2006* 389.2006@10.701173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 389.2006 *389.201* 389.201@10.671978 4375 4904 1 4559 1 1 1 5151 3207 6487 1 4625 5772 1 1 2042 2092 3870 2683 2162 1 1203 4714 1 1 5524 5065 5025 1 3759 1666 1 4105 2482 1 4740 4946 5892 3956 1 4716 5371 4748 1 3560 1 1 1 1 2196 1 1 1 1 1 1 2119 2959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 389.201 *389.2785* 13,14-dihydro-19(R)-hydroxyPGE1 2065 1304 1328 1259 1428 1455 2081 1798 2101 1296 1452 1428 1549 1447 1 1940 1 1200 1444 3044 1434 1404 1586 2275 1500 1325 1503 1679 1124 1 2527 1334 1382 1 1 1872 1155 1 1322 1277 1427 1340 2164 1185 1443 1605 1405 1259 1173 1339 1516 1 1231 1244 1514 1456 1475 1304 1445 1330 1 1229 1356 1936 1625 1291 1 1530 1341 1170 1454 1299 1232 3194 1506 1411 1277 1549 1222 1416 1171 1333 1232 1291 1 1 1404 1387 1319 1 389.2785 *389.2883* 389.2883@12.064215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1701 1 1 1 1 1 1 1 1 1 1 1 1 1 389.2883 *389.2904* C20 H43 N3 S2 9376 9123 8934 7866 9706 9356 8714 9290 10133 8992 9796 9733 8567 10075 7965 9506 8679 8187 8784 9019 8055 9503 7993 8954 8681 9774 8360 7649 9168 7239 8117 8727 7928 8216 9299 9182 10292 8087 8569 8309 7525 8793 8533 8198 9021 8264 9236 8793 8942 8968 8935 9341 8214 8304 7664 9658 7968 9291 8249 7943 8661 8603 9173 8544 10376 8376 8730 8873 9036 9523 8178 7259 9449 8175 9354 10603 7538 10030 9019 9164 8734 8254 9275 8838 9560 9193 9061 8070 8360 8997 389.2904 *389.7912* C6 H5 Cl3 O3 S5 11124 11375 11488 11369 11084 11098 11515 11560 11129 11145 10676 10994 11617 11070 11616 11210 11585 11819 10282 11261 10659 11542 11789 11365 12385 11218 11603 12036 11367 11773 10707 11746 11772 11461 10907 11318 11601 11397 12052 11051 11380 10641 11822 11601 11444 11083 11409 11203 12145 12079 11395 11091 12377 12096 10912 11110 11218 11563 10821 10889 10708 10990 10847 12230 10699 10932 10525 11793 11157 11201 10761 10512 10720 11006 10650 11301 11203 11332 10831 10659 10920 10791 11453 11554 11111 10878 10613 10991 10789 10657 389.7912 *389.9172* 389.9172@6.1552258 1 1 1121 1120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 389.9172 *389.9494* C12 H13 Cl3 O6 S 1 2019 2138 1831 2019 2186 2147 2439 1981 2144 2344 2000 2247 1 2202 2171 2189 2219 2312 1 2195 1818 1849 1 1 1 1 1788 2125 2315 1676 1884 1961 1 1863 2077 1651 1728 2011 2133 1878 1917 1763 1935 2066 1739 1929 2016 1741 2086 1 2018 2029 1 1 1834 2069 2162 1 1825 1827 1940 1 1831 1 1 2037 1 1986 1741 2132 1 1926 1 1 1858 1849 1848 1751 1 2056 1735 1882 1766 1930 1 1897 2079 1 2120 389.9494 *390.0945* C12 H26 N2 O6 S3 30999 33939 20619 20294 46820 39778 39763 41320 33344 35850 22223 19809 32972 32296 18513 17185 18565 18908 22023 22241 21125 21944 46963 39424 28591 28499 28203 27064 19385 21022 17271 14931 23058 24405 32847 34105 28056 29103 19950 19141 26664 26635 49573 48988 32457 33812 50343 53939 24332 24078 43760 43485 34931 34237 26659 26524 18856 18382 18667 19742 33795 30338 20742 21868 35981 34300 25938 31172 26411 25231 11880 11995 27728 26041 17798 18751 23219 23259 10247 10881 29393 28962 20790 19698 14560 15789 19777 19802 38165 35768 390.0945 *390.1022* C19 H20 Cl2 N4 O 1 1553 1 1 1 1 1 1 2366 2232 1865 1842 1233 1048 2013 1947 1 1 2296 2286 1918 1731 2604 2702 1803 2286 1382 1878 2596 2287 2704 2851 2316 2181 3146 3034 2789 2538 3381 3260 2816 2844 2595 2519 3294 3049 3677 3681 1995 2025 3009 3357 3579 3660 2083 2267 1755 1 3836 4170 3085 3148 2837 2815 2636 2837 1 1 2543 2368 3473 3447 2368 2507 2686 2470 2546 2315 1 1324 2799 2676 2664 3370 2811 2837 2635 3017 1 1 390.1022 *390.1403* 390.1403@5.7743044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.1403 *390.2312* 390.2312@3.616748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1667 1407 1 1 1 1 1017 1295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.2312 *390.2743* 390.2743@1.2639496 1 1 1 1 1 1 1 1 1 1 1 1 1 2800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.2743 *390.2766* 390.2766@11.36905 1 1 1 3729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.2766 *390.2768* 390.2768@11.445731 1 1 1 2720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.2768 *390.2769* 390.2769@11.339764 1 1 1 1553 1 1 1 1 1 1 1662 1 2758 1 1 1 1 1 1 3289 5009 1 1 1 7118 1 1 1 2724 1 1448 1440 13950 1 11433 1 4246 1 1 1 2093 1 1 1529 1 1 1 1 4935 1 1 1 1 4154 1 2503 3139 3236 1 1 1 1 1 1904 1 1 1 1 1 1 1 1 1 1 2492 1 2393 1 1 1 3036 2806 1 1 1923 2061 1 1 1 1 390.2769 *390.277* 390.277@11.44944 1 2797 1 1486 1 1 1 3404 1 1 2793 1 1 2364 1 1 1 1 1 2061 1 1 1 1 2884 1 1 1 1 1 4831 3942 1 1 1 7372 2880 5013 7890 1 1 2402 4083 5611 1 1 1 1 1 1 1 1 1 1 1 1 3081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.277 *390.2772* 390.2772@13.077076 1 1 1 1 1 1 1 1943 1651 2009 1 1 1 1 2725 1 1 1 1 1 1840 1 1 2161 1 1 2091 1 1 1 1907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.2772 *390.2783* 390.2783@11.242522 1 1 1 1511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.2783 *390.2784* 390.2784@14.164249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.2784 *390.2792* 390.2792@14.143153 1 1 1 1 1 1 1 1958 1 1 1052 3729 1 1 1 1 1 1421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3546 1 1 1 2603 1290 1 1 1 1 1 1 1 1 2577 1 1 1 1 1 1 1 1 1 1 1 1 1 3180 1 1 1 2815 1 1 1172 1 1 2730 1 1 1 1 1 390.2792 *391.1445* C24 H17 N5 O 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1301 1735 1540 1313 1 1 1 1115 1250 1297 1 1 2080 1937 2089 2198 1 1566 1194 1 1313 1 1 1 1531 1229 1 1 1992 1975 1645 1820 1687 2027 1 1 2850 3186 1625 1349 1 1 1333 1397 1 1 1056 1329 1513 1788 1025 1090 1 1 1 1 1 1 1610 1507 1014 1 1238 1123 1862 1639 1 1 391.1445 *391.2826* 391.2826@11.356045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 391.2826 *391.2991* 391.2991@14.148526 1 1 1 3180 1522 2762 1 1 2243 7622 1 1 1 1 1 2535 1 1 1 1 1 1803 1 1 1 1 1 1 1 1 1 1 2318 1079 1 1 1 2811 1 1 1 1 2492 1 1 1 1 2602 1 1 1 1 1 1 1 2426 1 1 1 1 1 1 1 1 1 2634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1211 1 1 1416 1 1146 1 391.2991 *391.3049* 391.3049@12.069872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 391.3049 *391.305* 391.305@13.06344 1 1 1 1 4649 8526 1 1 1 1 5305 1 1 6968 6458 4228 1 1 1 5958 1 1 1 8373 2127 1 1 10791 4967 7000 6320 1 10365 1 1559 1 1 1 10527 1 5961 1 1 1 6366 1 1 1 1 4948 1 8568 1 7346 1 6548 3405 1 4827 4843 1 1 5398 1 7597 7461 1 1 6376 1 1 1 1 7005 1 1 5266 7664 1 7688 5338 9023 7329 1 1 1 1 1 1 1 391.305 *391.3053* 391.3053@13.266044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2191 1 1 1 1 1 1 1 1 1 1 391.3053 *391.3059* 391.3059@13.058749 1 1 1 1 1 1 1 1 1 1 3585 1 1 1 2883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11123 1 1 2214 1 1 1 1 1 1 1 391.3059 *391.7409* 391.7409@5.583989 1 1 42336 40241 18227 18706 13694 1 15503 13844 13787 1 20242 20137 8212 1 1 10532 14044 13317 1 1 1 1 23049 25912 1503 24020 10820 10065 32740 32025 1 8134 1 10006 16141 17045 13539 12758 12928 11709 18943 18812 30277 28681 12960 1 8468 1 1 1 13620 12111 1 1 1 1 5353 1 13398 1 1 1 13733 1 1 1 31185 30314 26233 25517 1 1 6436 1 24577 24875 16984 17596 1 1 1 1 1 1 1 6364 4584 1 391.7409 *391.7889* C5 H3 Cl3 O6 S4 14430 14137 14890 14795 14078 14494 13800 13699 14246 14033 14259 14579 14966 14172 14741 14695 15591 14488 13840 13868 14380 14659 15108 15251 13910 13647 14361 13901 13958 14264 22190 13893 15416 14883 14882 14464 15255 14501 15561 13960 14789 13827 14091 14311 13660 13800 14947 14409 14994 15654 14468 14828 15646 13895 14119 13140 14118 14253 14586 14385 14830 13470 14377 14704 13751 13656 13958 13336 13594 14215 13590 13343 13709 14184 13765 13862 13543 13711 14099 14407 13804 14375 15151 14283 14137 13906 13517 13930 14186 14124 391.7889 *392.1088* 392.1088@0.897807 1 1 1 1 1 5792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4454 4184 1 5102 1 1 1 1 1930 1 1 1658 1 1 1 1 2953 3344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2382 1 1 1917 2284 1 3123 2301 1 4597 3626 2076 1 1 1 1319 1256 1 2998 1947 1 1951 2341 1449 1854 1 3293 1 1 1696 1681 1 1 6668 6520 392.1088 *392.1833* 392.1833@1.2500474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1708 1 1 1 1 1 1 1 1 1 1 1 392.1833 *392.2008* (6RS)-22-oxo-23,24,25,26,27-pentanorvitamin D3 6,19-sulfur dioxide adduct / (6RS)-22-oxo-23,24,25,26 3984 3734 3539 5101 3225 4570 3615 3437 4083 4326 3424 3741 2959 1 2696 2888 3617 2491 2757 2170 3301 3013 2808 2564 2284 2783 2334 2923 2997 2642 2008 2518 2497 2058 2902 1967 1 1704 2400 2258 2604 1856 2236 1862 2034 2090 1971 1719 1899 1942 1 1917 1 1180 1 1482 1816 1 1497 1946 1738 1672 1676 1766 1669 1534 1550 1 1539 1056 1528 1981 1964 1 1 1 1620 1 1008 1130 1 1237 1 1 1420 1750 1 1 1 1319 392.2008 *392.2016* 392.2016@4.4265594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.2016 *392.244* 392.244@5.585252 1 1 1201 1067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.244 *392.2903* 392.2903@11.849172 1 1 1 1 1 12436 1 11439 1 1 1 8916 1 7506 1 16568 1 8078 9334 9827 6142 14159 1 8446 3535 9367 1 1 1 1 1 1 1 1 1 1 1 12545 1 1 1 1 1 1 7784 1 5562 1 1 1 1 1 1 1 1 1 2746 6724 1 2970 1 1 14643 1 1 13656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3450 1 7480 1 1 1 10646 1 392.2903 *392.2909* 392.2909@11.818563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2110 1 1 1 1 1 1 1808 1 1 9813 1 1 1 1 13396 1 1 1 13679 1 1 1 5200 1 1 1 7174 1 1 1 6950 1 1 1 1 1 1 1 1 1 392.2909 *392.3011* 392.3011@9.856584 1 1 1 1948 1 1 1 1 1 1 1 1 1 1 16037 1 1 1 1 16452 1 1 1 1 2937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1131 1 1 1 1 1 6926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1 1 1 1 1 1 1 1 1 1 1 392.3011 *392.3018* 392.3018@9.814393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.3018 *392.3021* 392.3021@13.00218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1362 1 1 1 1 1 1451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.3021 *393.1334* 393.1334@0.9325141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1231 1262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1410 1078 393.1334 *393.261* 393.261@4.887353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1616 2132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 393.261 *393.2633* 393.2633@4.843468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 393.2633 *393.2635* 393.2635@12.199957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 393.2635 *393.2958* 393.2958@11.785513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 393.2958 *393.3056* C24 H43 N O S 1713 1657 1 2138 2143 1 3018 2310 2215 1731 2322 2939 2105 2763 2570 1980 3101 2234 2073 1666 3612 1887 1746 2065 1 3346 2097 1 3192 1 2767 2920 2711 1746 2656 2543 2344 2217 3324 1817 2837 1765 3194 1903 2014 1890 2005 3023 3314 1695 1523 3721 1846 1593 3673 1738 1 1555 2042 1 1950 1755 1 1575 1921 1796 1991 1685 1 1834 1 1930 1693 1 1738 2452 1803 1602 1 1 1695 1810 1457 1 1 2255 1794 1 1690 1646 393.3056 *393.3184* 393.3184@13.843402 2207 1 1783 1 1 1 1 1 1 1 1 2171 1 1 1 1 1 1 1 1 2476 1 1 1 1 2396 2196 1 1713 1 1 1 1 1 1 1 1 1 2510 1 2386 1 2911 1 2518 1 2512 2085 1 1 1 1 1738 2209 2178 1 1 1 1 1 1 1 2295 2611 1 1 1843 2078 1 1 1 1 2346 1 1 1 1 1 1 1 1 1037 1959 2249 1 1 1938 1 1 1 393.3184 *393.3367* 393.3367@13.347595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2085 1 3199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 393.3367 *393.3417* C28 H43 N 1 2395 1 1364 1514 1430 1551 1903 1834 1 1 2297 1384 1900 1 1 2161 1929 2374 2020 1 1850 1471 1 1 1 1468 1 1 1 2400 3262 1363 2184 1 3547 2131 1 2768 1 1428 3051 1 2562 2255 1 1 1960 1696 1 1312 1499 2300 2160 1322 1 1660 1 2362 1 2548 1378 1 2203 1388 1 1685 1601 1372 1549 1 1280 1 1726 1 1 1 1075 1 1383 3092 2066 1 2315 1215 1410 2039 2417 1450 1 393.3417 *393.7857* C5 H5 Cl3 O4 S5 8065 8177 8147 7798 8020 8280 8230 8479 8044 7845 7717 8206 8794 7868 8328 8735 8256 8299 7975 7701 7893 8276 8249 9687 7615 8511 8311 8169 7998 8261 1 8085 8458 9402 8875 8478 8475 8640 8678 7805 8287 7724 8222 7978 7874 8180 8044 8465 8363 8341 8521 8463 8980 8283 8126 9291 8042 7799 7923 9468 9085 7896 7833 8122 7705 7700 7786 7738 8629 7876 8272 7964 8264 7576 7672 7882 8047 7418 7782 8175 7874 8035 8676 8447 7878 7971 8516 7669 8025 7860 393.7857 *393.9938* 393.9938@0.8456316 1 1 1 1 1 1 1325 1 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1147 1 1 1 1021 1 1 1015 1 1 1 1 1325 1030 1 1 1 1 1 1 1 1 1386 1488 1 1 1210 1170 1037 1 1171 1 1 1 1 1 1676 1582 1 1320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 393.9938 *394.005* 394.005@0.84149194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.005 *394.0284* 394.0284@0.82266384 1 1 1 1 1 1 1 1 1 1 1088 1 1 1 1 1 1073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.0284 *394.158* 394.158@1.2233118 1122 1087 3964 3788 1199 1 1 1 1 1 1 1 1 1234 1 1695 1 1 1 1 2588 2622 2040 1807 1 1 3446 3043 1980 1502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.158 *394.2566* 394.2566@13.749109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.2566 *394.2742* 394.2742@11.865182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 1 1 1 1 1 1 1 1025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.2742 *394.2813* 394.2813@11.871374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.2813 *395.127* 395.127@3.3990839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1220 1332 1 1 1 1 1 1 1 1 1 1 1208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.127 *395.2096* 395.2096@5.722721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1489 1355 1 1 1 1 1109 1043 1049 1145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.2096 *395.2512* 395.2512@7.975284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2966 2212 1 1 1 1 1 26942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1041 1 1 1 1 1 1 1 1 1 1 1 1 1 1159 1096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.2512 *395.2576* 395.2576@7.6387444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.2576 *395.4469* 395.4469@14.30659 1 1 1 1 1 1 1 2115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.4469 *395.4475* 395.4475@14.28608 3417 3598 3223 3198 3911 3610 4092 1291 4328 3625 2993 3021 3194 3603 3588 3260 3854 3796 3160 2892 3175 3507 3052 3620 3432 3238 3702 2822 2475 3190 3057 3125 3128 4266 3304 2787 3799 2909 1101 3594 3288 3496 3111 2785 2897 3192 2939 3296 2728 2808 2961 2759 3004 2846 3053 2684 2568 3152 3127 3051 2734 3204 2336 2790 2845 2734 2343 2815 2946 3539 2403 2480 2892 1922 3253 3188 3092 3011 2877 3203 2702 2984 2662 1092 2662 2970 2514 3272 1 2715 395.4475 *395.7761* 395.7761@0.84208494 4100 4109 3531 3886 4059 3857 4199 3798 3861 3489 5581 3831 4188 3457 3924 5233 3983 3831 3652 5525 3608 3953 3950 3964 3417 3598 4835 3947 3439 5177 6413 5617 3860 3494 3666 3873 5556 4936 4243 3913 3747 3519 4019 4116 3577 3866 4279 3878 4380 4331 1 3798 4032 4048 4901 5182 3775 3967 3775 3780 4338 3459 3782 3706 3952 1 4263 4803 3628 4784 3771 3975 3721 1 3531 3640 7703 4003 3613 3562 3559 3727 5527 3603 3763 3832 1 3658 5089 4700 395.7761 *396.1232* 396.1232@1.1964898 1 1 1 1 1154 1179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1706 1613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.1232 *396.1569* 396.1569@1.2906828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1120 1 1 1 1 1 1 1 1 1187 1151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.1569 *396.2647* C20 H41 Cl O5 7229 1 5683 10200 6832 8318 8193 8674 7920 6883 1 8676 7685 8182 1 1 7226 8275 1 8290 1 1 6401 5838 6640 1 7126 8056 1 6360 8029 1 7815 8252 3279 6207 5854 6567 6671 7200 1 1 1 7103 1 6258 8391 1 1 1 1 8648 1 7273 1 1 2704 1 1 7674 1 6110 5998 1 7127 7060 1 5687 1 6891 6246 1 6068 1 1 6881 1 1490 7140 1 1 6727 2171 8521 9287 7543 1 6509 1 7680 396.2647 *396.2655* ESTRADIOL CYPIONATE 1 7345 1111 1 1 1 1 1 1 1 6935 1 1 1 6456 8692 1 1 8248 1 6267 7331 1 1 1 7936 1 1 7692 1 1 7525 1 1 3050 1 1 1 1 1 7942 5643 7066 1 7474 1 1 7765 5985 8504 7657 1 7389 1 6780 5884 3390 6685 5770 1 6458 1 1 7555 1 1 5171 1 6446 1 1 4880 1 6447 7355 1 7216 4056 1 7477 7153 1 4338 1 1 1 6380 1 8017 1 396.2655 *396.2772* C25 H36 N2 O2 2225 2011 2444 2777 2592 2006 2365 1909 1969 1999 1 1 2452 1 2350 1 1 1 2719 1674 2182 2190 2453 1979 1716 2681 1 2427 2117 1449 1795 1929 2280 1590 1 2153 2046 1867 1 2428 2136 1981 2188 2192 2248 2122 1 2053 1 1662 2122 1 2074 1994 2154 1 2108 2210 1489 1 1836 2648 1710 1768 2155 1 1576 2052 1 1 2466 1849 1589 1 1560 1766 1682 1869 1609 2282 1942 1 1 1 1686 1 1694 1768 1661 1973 396.2772 *397.1664* 397.1664@10.111323 1 1 1 1 1 1629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.1664 *397.1668* 397.1668@10.137914 1578 1 1 1 1 1557 1 3613 1692 3020 1 1433 1 1 1 1 1 3249 3638 1388 1 1763 1992 1 3536 1 1 1 1 1 1 1 3392 1 1 3493 1 1184 1 2116 1 3461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2257 1 1 1 1858 1 1 1 1 2257 1 1 1 1 1 1 1 1 1564 1 1 1 1 1 397.1668 *397.7511* 397.7511@0.84359056 1 1869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2276 1 1 1939 1 1 1 1 1 1 1 1 1 2125 2105 1 1 2281 1 1 1 1 1 1 1 1 1 1 397.7511 *397.7559* 397.7559@0.8440848 2232 1 2281 1 1920 2010 2262 2212 2313 2244 2152 1 2139 1955 1861 2415 2521 2235 2063 2190 1996 1916 2124 1 2754 2177 2134 1978 2077 1867 1 2281 1898 1893 3450 2016 1927 1 2337 1 2076 1955 1 1990 1964 2106 2189 2157 2218 1 2260 2022 2161 2334 1713 1967 1972 2088 1168 2028 1970 2353 1 2093 2074 1 2007 2061 1944 2251 2141 2053 2076 2166 1784 1 1 1923 1 1 1 1977 1 2106 1999 1979 1972 2029 1970 2342 397.7559 *397.8848* 397.8848@0.8092184 1 1 1250 1 1022 1 1 1 1186 1 1 1 1 1 1077 1 1085 1 1004 1 1 1 1 1090 1 1 1 1 1216 1069 1 1 1 1 1 1 1 1361 1 1 2521 1021 1 1 1214 1 1 1 1 1 1165 1270 1097 1 1 1 1 1 1 1 1 1135 1160 1 1 1186 1 1048 1 1 1192 1123 1 1165 1 1 1 1 1157 1 1 1080 1 1297 1 1146 1 1231 1 1 397.8848 *398.1158* 398.1158@4.1909103 1 1 1 1 1 1 1 1 1 1 1 1 2149 2282 1 1 4012 3889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.1158 *398.1383* 398.1383@0.99299055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1187 1190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.1383 *398.1415* 398.1415@1.2145007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1636 1 2022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1731 1 1 1 1 1 1 1 1 1 1 1 1 1 1839 1 1 1 1 398.1415 *398.1792* 398.1792@4.399879 1 1 1 1 1 1 1 1 1 1 1 1 4895 5610 1 1 187617 193345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.1792 *398.1994* 398.1994@11.684463 1 1 1 1469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.1994 *398.2174* 398.2174@14.149447 1 1 1 1 1 1 1 1869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.2174 *398.2441* C14 H30 N12 S 6543 6290 8515 8309 4739 4705 6059 6462 5781 5716 6029 5867 5701 5935 4726 6202 5518 5762 6056 6365 5823 5763 4242 5596 5652 5979 5813 5680 6228 5603 5710 6242 5489 5580 4934 5878 5596 5464 5228 5524 6322 4943 4278 4632 5816 4162 4908 4513 4619 4934 4665 4825 5382 5030 4435 4674 4730 4839 4668 4784 4913 4671 5098 4693 4398 4506 4519 4477 4735 4198 4978 3582 4394 4319 5028 4638 4436 3531 5155 4788 3726 4883 4709 4352 4346 4627 3523 4622 3512 4764 398.2441 *398.2639* 398.2639@5.3512774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.2639 *398.2643* 398.2643@4.2722363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2706 2684 1 1 1 1 1 1 1 1 28558 29655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.2643 *398.3507* C23 H46 N2 O3 12322 13344 12886 12761 13658 13116 5502 13117 13789 14289 13223 12921 14295 14261 13931 13552 13411 13321 13864 5191 13164 14011 14498 13692 11085 12280 13432 14159 13127 12566 13170 14411 12430 14344 14049 13420 13597 13880 13004 13664 13851 13322 14055 13502 15788 14837 13244 13175 13421 13771 13219 13950 13485 14205 12659 13530 10593 13899 12323 13688 14260 14512 13467 13964 14496 12841 13200 13193 12764 14092 13646 13061 11243 12388 14103 13711 13958 14584 13411 13718 13525 13181 13306 14033 12807 12984 13394 12995 13824 13188 398.3507 *399.1522* 399.1522@3.6467423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1268 1268 1 1 1 1 1 1 1 1 1 1 399.1522 *399.1594* 399.1594@13.294998 1 1 1 3231 1 4172 1 3738 1 1 1 1 1 1 1 1 1 1 1 1 1444 1 1 1 1 1 1 1 1 3631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2127 1 1 1 1 1 1 1 1 2032 2311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1491 1 1 1 1 1 1 399.1594 *399.1599* 399.1599@13.153656 38990 1 1 1 1 1 1 1 1 1 1 1 1 1 39546 1 1 1 1 1 37825 35937 1 41262 1 1 1 40103 1 38384 1 1 1 1 1 40443 1 1 1 1 1 1 1 38974 1 1 1 1 36090 1 1 1 1 1 1 1 3456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35507 5097 1 1 1 1 36195 1 1 1 1 1 1 1 32337 1 1 399.1599 *399.1602* C21 H25 N3 O3 S 1 43451 42680 41299 39341 41713 37634 39323 40060 41797 40418 39401 41156 41526 1 40980 37813 36638 38521 41933 1 1 38477 1 41332 38652 39954 1 40743 1 40881 38918 37003 39382 38133 1 38442 39579 37565 39861 38456 40598 41065 1 38016 34712 35637 35281 1 37993 34654 36435 35675 34587 33297 35130 27350 35058 34557 34901 36530 35844 35498 34537 33049 38853 33577 35132 36014 35553 36144 34335 32710 1 35825 36622 35392 33725 34073 1 35774 35205 34419 34070 34299 34415 33910 1 35316 33903 399.1602 *399.1606* 399.1606@13.349209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1451 1 1 1 1 1 1 1 1 1 1 1 3452 1 1 1 1 2067 1 1 1 1 1 1856 1 2034 1 1 1 2573 1 1 1 1 1 1 1 1 3530 1 1 3363 2566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1545 1 1 1 1 1 1 1 1 1 1 1 1 6647 1 1 399.1606 *399.212* C17 H37 N O5 S2 1 1129 1238 1110 1264 1 1064 1077 1 1079 1 1164 1245 1 1 1100 1 1153 1191 1 1 1 1 1 1 1 1 1 1 1089 1 1 1 1059 1 1 1 1 1 1 1 1 1 1 1254 1246 1329 1 1106 1364 1 1570 1440 1039 1299 1443 1367 1270 1 1152 1383 1128 1266 1133 1331 1362 1090 1399 1 1063 1090 1149 1 1 1107 1007 1169 1 1324 1208 1 1 1010 1 1 1106 1222 1010 1049 1005 399.212 *399.2504* 399.2504@1.0209881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 399.2504 *399.2977* 399.2977@11.522656 1 1 1 1519 2235 1 1 27918 1 1 1 1179 1 1 1 1 1 1 1 24182 1 1 1 1 1 1 1092 1 1 1 1 1 1 1010 1867 1 1 1 1696 1 1 1 1 1 1 1 1 1 1 1 1 1199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 399.2977 *399.2983* C22 H41 N O5 30255 28146 29852 28335 29723 27517 30179 2817 1 28377 29537 28642 28775 28938 29736 28655 28104 27541 27427 5266 27602 29272 29553 27829 29370 27683 28823 1 29484 26507 29138 29456 1 29752 29721 29830 27733 28788 27994 1 29079 28871 28623 27203 28001 20985 18372 17582 17266 18745 17514 17084 18234 17493 18088 17856 17150 18303 17231 17296 18881 15258 16863 17096 16923 16167 17745 18151 18258 17491 17719 17678 16591 18362 1509 1 1 17294 16415 18018 16504 18182 18333 16999 17627 17625 16648 17826 17321 17613 399.2983 *399.3648* 399.3648@13.238195 1 1873 1 1833 1574 2358 1782 1 1 1764 1509 1802 1466 1747 1180 1978 1177 1 1 1972 1793 1824 1 1551 1 1655 1 1724 1509 1636 1684 1681 1552 1796 1455 1 1774 1550 1799 1 1721 1498 1344 1215 1984 2008 1362 1 1916 1617 1761 1506 1339 1777 1541 1679 1463 1589 1756 1263 1531 1 1760 1961 1984 1850 1 1571 1616 1847 1849 1609 1824 1924 1494 1 1766 1519 1862 1 1791 1543 1661 1 1 1562 1620 1 1384 1681 399.3648 *399.3706* 399.3706@13.242657 1 1 1 1 1 1 1 1004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1414 1 1 399.3706 *399.8206* C6 H3 Cl3 N2 O6 S3 13563 14136 13310 12767 25227 25561 13760 27390 12954 13732 13523 13163 13293 13882 14370 13310 13569 13612 13166 13335 26139 12924 12473 14026 13080 13144 12305 12818 13379 13346 12880 13153 13440 13912 13033 13521 26547 13512 14072 13078 13472 12782 13613 13596 12639 26949 13793 14103 13732 13133 13289 13149 13843 13552 13666 13238 26306 34232 12781 13447 13414 13557 26349 12758 13403 1 13016 13205 12514 12690 12575 12564 12809 12479 24883 13364 12670 13136 12769 13901 12398 26180 13797 12715 12300 13011 12514 12237 13144 13760 399.8206 *399.9302* 399.9302@0.797743 1 1 1 1 1 1 1 1 1204 1 1 1 1 1 1542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1103 1 1 1 1 1 399.9302 *400.1482* 400.1482@6.886249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1895 1968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.1482 *400.1645* 400.1645@13.238376 1 1 1 1 1 1 1 1 1 1 1485 2073 1 1 1 1 1 1 1 1 1 1400 1 1 1 1 1 1 1 1 1 1 2329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1534 1 1 1 1 1686 1 1 1 1 1 1 1 1 1 1 1 1 1 400.1645 *400.1655* N-AcetylCilastatin 1988 1521 1239 1359 1219 1311 2820 2062 1406 1272 1181 1126 1 1 1455 1222 1213 1241 1433 1392 1274 1166 1351 1304 1 1 1290 1190 1316 1529 1904 1 1090 1041 1530 1403 1423 1454 1463 1476 3139 2749 1317 1287 1 1 1138 1 1736 1722 1394 1469 1526 1539 1131 1321 1090 1261 2168 1644 1428 1721 1231 1127 1 1 1 1185 1442 1487 1465 1 1607 1627 1034 1177 1157 1335 1 1 1390 1298 1539 1570 1758 1786 1535 1041 1 1210 400.1655 *400.1698* 400.1698@1.2230458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11812 11706 1 1 1 1 1 1 1 1 1 1 400.1698 *400.2553* C16 H32 N8 O4 9176 9222 39408 38546 18233 17436 14383 15434 14503 15131 13080 14253 20159 19777 9770 9010 11531 10755 14115 14323 9901 9959 9769 9465 24622 24309 24230 23325 10804 11962 31409 30314 8531 8442 12123 10565 16837 15908 12999 13905 13615 12841 19610 20535 28664 28624 13439 13270 9845 10087 5379 6377 12984 13908 6381 5939 7733 7669 6237 5570 13950 14740 11377 11323 13991 14458 4659 5657 27694 28974 25934 26069 6651 7650 7647 7206 24422 24449 17818 18981 7133 7907 7159 6590 9425 10348 7499 7892 6890 5592 400.2553 *400.2564* 400.2564@5.2074037 1 1 2220 2102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1155 1099 1 1 1 1 1354 1170 1 1 1 1 1 1326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1406 1583 1160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.2564 *400.7348* 400.7348@6.775957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1077 1018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.7348 *400.7572* 400.7572@5.5845118 2772 3405 14559 14357 6644 6327 5250 4896 4801 4662 4910 4641 7382 6861 3072 3027 3667 4063 4928 5442 3243 3511 3417 3149 8144 8247 8485 8558 4539 3743 11296 10764 2830 2854 4053 3552 5521 5567 4823 4682 4463 4839 6576 6393 10947 9956 4459 4255 3375 3033 2147 1896 5353 4898 1972 2328 2538 2635 2233 2222 4630 4816 3707 3690 5235 4956 1667 1929 11025 11096 9041 9391 2378 2599 1930 2690 8447 8610 6437 5781 2461 2637 2442 2306 3316 3273 2541 2557 2474 1865 400.7572 *401.0698* 401.0698@3.241645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2223 1875 401.0698 *401.2258* C13 H35 N7 O3 S2 7064 7584 11164 11401 10854 9990 8361 9095 8648 8425 9632 9946 47147 1 6897 6965 1 1 13257 12774 7504 8462 6621 6806 7954 8067 9789 9739 21662 20525 8559 8678 5497 5402 7592 8206 7247 7701 7440 7267 6649 6811 12475 13613 11381 10801 7538 7383 5915 6431 4626 4662 6249 6612 5516 5090 6288 5805 5396 5485 1 1 6318 6318 6568 7307 4424 4219 7944 7803 8587 8637 5407 6493 5173 4778 7786 7585 1 1 7375 7176 4835 4798 6040 7179 5090 5614 13654 13377 401.2258 *401.2621* 401.2621@5.014061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2202 2875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 401.2621 *401.2927* 401.2927@6.6193666 1 1 1 1 1 1 1666 2062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1222 1354 2744 2853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2409 2401 1 1 1 1 1244 1194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 401.2927 *401.3504* 401.3504@11.982822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 401.3504 *401.3507* C23 H47 N O4 12672 13189 13136 12924 12880 13801 13228 11936 11804 12954 13650 13533 12411 11109 12760 13854 13794 12574 12915 12832 13558 13133 13441 12981 12677 12325 12251 13033 12920 13501 12244 12425 13063 12739 12072 12304 13443 12701 12765 12213 12603 12431 12729 13357 14237 12938 13972 12140 12414 12500 14079 13399 13371 13265 12361 13529 12990 13011 13358 12486 13333 13140 13383 14071 13569 13851 12797 12469 12659 13286 12890 14212 14074 12273 13452 13876 13306 12974 13385 12819 12885 12379 12827 12957 12355 13745 12990 12223 12456 12788 401.3507 *401.4624* 401.4624@4.4095016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 401.4624 *401.8184* C6 H4 Cl2 O8 S4 12344 12669 11973 12477 1 1 12500 1 12710 13414 12348 12710 12621 12941 13120 12632 12960 12659 12595 12237 1 12399 13174 12139 13366 12310 12134 12115 12963 11748 11993 12437 13378 12908 12645 12639 1 14772 13296 12787 12253 12723 19456 12656 12254 1 21046 13503 13548 13386 14012 13655 13137 12580 13071 12413 1 1 12285 13072 13182 12794 1 13318 20385 11681 12304 1 12287 12401 11863 13308 13258 12375 1 11696 12349 12454 12553 12274 12320 1 13536 12286 11721 12295 11822 12520 12963 12191 401.8184 *402.093* 402.093@1.2540519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.093 *402.1253* C12 H18 N8 O8 2843 4007 3429 3717 2903 3506 1 2745 1 3740 3967 1 3232 3639 3616 3216 3939 1 2506 4021 2505 2747 3482 3402 3158 4117 3041 4175 3369 4066 3385 3250 2949 1 3245 3033 3000 1 3591 1 3063 3053 3044 3437 2288 3984 3106 3440 3184 3381 2613 3030 3896 3500 2903 3221 2823 3016 3346 2617 2770 3722 3149 3299 4604 1 2447 3617 4315 3782 1 2430 4018 3935 2943 3842 1 3437 2916 1 2835 2874 4009 3599 3359 2480 4699 5106 3295 2523 402.1253 *402.1739* 402.1739@0.89866847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1011 1288 1356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.1739 *402.2991* Lys Lys Lys 819155 819009 787244 785472 793724 800373 807297 797498 807409 809732 820758 828988 826876 804982 808226 814156 789495 788608 792444 838324 807800 825875 831196 819309 784114 781761 782119 787271 765372 765308 795009 784213 783931 778226 802305 776607 770742 778171 762406 775232 759343 796675 772049 793941 778559 801566 835604 809607 802048 836109 809402 818418 822750 822800 813873 826938 784473 801956 838992 796431 776714 789297 805651 784589 796833 786258 798565 809262 800064 804147 801023 807693 815074 821641 812156 792984 812308 779207 781408 770526 810718 804550 761794 795555 777159 798625 762661 814125 769207 756113 402.2991 *402.2992* 402.2992@13.529824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1089 1720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1279 1 1 1 1 1 1 1 1 1 1 402.2992 *403.1757* 403.1757@1.2410468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1369 1 1 1 1 1 1 1 1 1 1 403.1757 *403.1785* 403.1785@3.2397022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1642 1387 1 1 1 1 1 1 1 1 1 1 403.1785 *403.1996* 403.1996@8.86261 1 1 1 1 1171 1427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2068 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1273 1497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1164 403.1996 *403.2179* 403.2179@11.212056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2118 2645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 403.2179 *403.2975* 403.2975@14.575684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1266 1 1 1 1 1 1 1461 1 1 1058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 403.2975 *403.8132* C7 H Cl N2 O6 S5 6507 7065 6629 6705 7020 7076 7201 7372 6608 7101 7019 7251 7389 7076 7306 6983 7065 7723 7159 6752 7217 7177 7058 7104 6858 6822 6745 7156 7172 6982 6544 6658 7350 6848 6940 7599 7299 7332 6722 6909 7017 6717 1 7178 6909 7163 1 7397 7107 6889 7234 6815 6939 6805 6829 7005 7552 1 7743 7194 6692 6981 7353 7248 1 6771 6578 6575 6694 6782 6634 6444 6614 6723 6492 6578 1 1 7328 6752 6896 6627 7141 6624 6987 6648 6572 6594 7635 6950 403.8132 *404.019* C21 H9 Cl N2 O5 1 1 1 1098 1055 1106 1163 1161 1 1120 1276 1558 1 1041 1211 1160 1136 1208 1212 1355 1462 1141 1 1 1 1029 1399 1 1 1 1 1024 1237 1422 1172 1 1144 1232 1 1 1 1 1238 1451 1 1 1173 1390 1502 1449 1 1264 1113 1307 1 1 1 1 1 1 1248 1214 1000 1089 1 1283 1 1162 1272 1 1 1 1145 1148 1129 1259 1248 1096 1 1 1 1 1138 1269 1416 1437 1393 1308 1 1 404.019 *404.0902* 404.0902@0.8991006 3509 1 1 1 1 1 1 1 1 1 4303 1 1 3666 1 4453 1 5460 4851 4327 1 1 3895 3686 1 1 4298 1 1 1 1 1 3791 3586 1 1 3802 4158 1 3004 1 1 3911 1 1 1 1 1 1 3698 1 1 5101 1 1 1 1 1 1 1 6480 6175 4317 4183 1 1 1 1 2777 2935 1 2915 1 1 1 1 1 3320 3131 2880 1 1 1 1 1 1 2726 3209 1 1 404.0902 *404.0928* 404.0928@3.4555137 1 1 1 1 1 1 1 1 1 1161 1 1 1762 2205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1093 1 1 1 1 1 1 1 1 1 2951 3035 1 1 1 1 1662 1531 1 1 1 1 3133 2975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1045 1 1 1 1 1 1 1 1 1 1 1 1 1 404.0928 *404.0956* 404.0956@3.685179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.0956 *404.1046* 404.1046@1.2563666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1319 1322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.1046 *404.1576* 404.1576@1.2440469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1578 2106 1 1 1 1 1 1 1 1 1 1 404.1576 *404.2543* 404.2543@11.428134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1022 1193 1 1 1 1 1 1 1066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.2543 *404.257* 404.257@12.985033 1 1 1 1 1 1 1290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.257 *405.0823* 405.0823@0.8986614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1894 2002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 405.0823 *405.0882* 405.0882@3.2636445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2006 1 1 1 1 1 2404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1600 1 1 1 1 1 1 1 405.0882 *405.0931* 405.0931@0.90098715 1 1 1 1 1 1 1 1 1 1 1 1 1 1047 1 1 1 1 1 1 1 1 1953 1931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 405.0931 *405.1015* 405.1015@0.9100265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1785 1 1 1 1 1 1 1 1 405.1015 *405.1077* 405.1077@0.90901124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2648 1 1 1 1 1 1 2325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1277 1 1 1 1 1 1 405.1077 *405.1195* 405.1195@0.9152632 1 1 1 1 1 1266 1326 1 1 1 1 1 1 1 1 1 1 1 1 1 1086 1435 1 1 1 1 1 1 1 1 1972 1865 1 1 1 1 2283 2347 1385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1814 2496 2232 1 1 1 1 1 1 1 1 1 1 2118 2004 1 1 1 1340 1 1566 1 1 1 1 1 1 1726 2191 1 1 3018 2956 405.1195 *405.1236* 405.1236@1.0055087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1177 1140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 405.1236 *405.1275* 405.1275@2.999047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 405.1275 *405.1332* 405.1332@0.96752465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1437 1 1 1 1 1 1 1 1 1 1 405.1332 *405.144* 405.144@0.93503094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1445 1 1 1 1 1 1 1 1 1 1 1 405.144 *405.226* 405.226@4.109068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 405.226 *405.2655* 405.2655@12.031857 1614 1387 1430 1 1473 1437 1652 1334 1480 1741 1833 1805 1270 1573 1246 1273 1414 1809 1 1111 1445 1 1 1469 1579 1 1494 1 1358 1665 1 1046 1351 1488 1314 1213 1284 1 1356 1 1156 1 1 1 1278 1 1107 1 1 1 1164 1 1279 1134 1138 1 1 1391 1 1 1 1273 1200 1 1 1589 1 1136 1182 1152 1157 1029 1309 1407 1254 1224 1451 1 1513 1083 1 1442 1180 1423 1363 1 1281 1370 1170 1366 405.2655 *405.3165* 405.3165@14.000065 1 1 1 1 1 1 1 1 1 1 1 1149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 405.3165 *405.3434* 405.3434@14.262074 1 1 1 4645 3566 4037 1 1 1 4531 1 1 1 1 1 1 4067 4334 4586 1 1 1 1 4511 1 1 3966 1 1 2925 4725 3124 1 4042 4107 1 4622 1 1 4939 5066 1 1 1 4632 4510 4350 4931 4463 3946 1 1 4408 1 1 4649 1467 4622 3931 1 1 1 3742 1 1 3865 1 1 1 1 1 4701 4487 4169 4500 1 4219 1 1 1 1 3595 1 4190 1 3603 3935 3721 1 2832 405.3434 *405.3441* C26 H47 N S 4228 4038 4962 1 1 1 4570 4601 4504 1 4163 4182 4385 3561 4176 4176 1 1 1 4638 4114 4626 4470 1 4707 4761 1 5000 4009 1 1 1 3911 1 1 4448 1 4393 4274 1 1 4550 4088 3635 1 1 1 1 1 1 3824 3815 1 4198 4553 1 3166 1 1 4539 4438 4002 1 3206 4028 1 4721 3691 4070 4232 3768 1 1 1 1 3145 1 4048 4072 3577 3664 1 4331 1 4241 1 1 1 3602 1350 405.3441 *405.8015* C7 Cl2 N2 O6 S4 4781 4897 4297 4246 4887 4288 4468 4928 1 4608 1 4738 4653 4770 5068 4719 4569 4742 4779 4972 4521 4680 4236 5023 4721 4491 4470 4093 4511 4410 4662 4284 4700 4869 4989 5137 4985 4789 4785 4865 4641 4198 4913 4570 4552 4326 4684 4610 4909 4732 4927 4531 4552 4621 4728 4548 4908 4892 4655 4425 4494 4479 4529 4656 4582 4577 4653 4433 4382 4576 1 4170 4640 4447 4525 4373 4278 4302 4593 4432 1 4888 4658 4388 4489 4977 4354 1 4670 4601 405.8015 *406.0347* 406.0347@1.2305204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8952 1 1 1 1 1 1 1 1 1 1 5344 1 7051 1 1 6224 3090 1 8435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3578 1 1 1 1 1 1 1 1 1 4421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1027 1 1 1 1 1 1 1 1 3574 1 406.0347 *406.0706* C21 H20 Cl2 O4 6018 5818 4061 3982 7042 4410 4572 6648 6710 6612 4148 4697 5602 3672 2140 1729 2400 3933 2673 3950 4212 4691 7406 7109 5752 5596 4822 5183 3748 3873 3499 3548 2967 4776 5906 6015 5490 6094 3717 3224 3408 3312 7152 6873 4612 6164 8864 8558 2945 3229 5172 5666 4080 6070 3667 5538 3759 3944 3806 4432 6374 6035 4267 4127 5976 7437 3407 5363 4864 5184 2958 2852 5765 5510 4287 1909 3110 4580 2418 2337 3602 5694 4171 4079 3661 3433 2280 5976 6568 6082 406.0706 *406.1403* 406.1403@0.9335319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1328 1631 1 1 1 1 1 1 1 1 1 1 406.1403 *406.2811* C19 H34 N8 O2 3872 3866 3687 3314 3692 3727 3912 4030 2894 4063 4340 3354 3577 3684 3231 3172 3676 3602 3981 3429 3377 3542 2887 2694 3045 2939 3672 3702 2797 3500 2953 3581 2943 3298 2828 2872 3185 2962 3061 2566 3336 2938 2452 3311 3073 2557 2683 2401 2706 2487 2566 2273 2355 2405 2358 1976 2463 2252 2104 2299 2172 2305 2182 2285 2324 1888 1893 1994 2040 2619 1978 2007 1 1928 2137 2066 2084 2300 2138 2174 1866 2053 2327 1882 2137 2379 1785 2082 1870 2015 406.2811 *406.3414* 406.3414@14.258273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.3414 *406.7816* 406.7816@11.25764 1 1 1766 1 1342 1219 1513 1 1186 1018 1458 1341 1 1387 1021 1331 1295 1 1156 1 1401 1076 1159 1 1 1 1 1 1 1 1 1017 1229 1 1 1123 1 1032 1 1 1240 1274 1 1 1 1 1 1 1006 1 1 1 1 1 1 1100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.7816 *407.1063* C15 H18 Cl N9 O S 2600 2758 1556 1474 2718 2397 2017 2335 2747 2874 1259 1493 3008 2738 1747 1715 1 1 2238 1970 1228 1469 4456 4260 2115 2010 1878 1864 1448 1317 1 1 2656 2521 2310 2281 3126 2964 1634 1608 2343 2109 4282 4278 2847 2703 3567 3477 2143 2020 3205 3295 2579 2163 1969 1966 1236 1226 1 1464 2469 2431 2107 2064 3219 3065 2274 1849 2527 2507 1 1085 1681 1492 1260 1353 2057 1909 1 1 2778 2399 1577 1468 1303 1011 1547 1649 2631 2788 407.1063 *407.1638* 407.1638@2.161004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 407.1638 *407.1721* Pro Glu Tyr 4147 4217 2648 2836 3379 1 2769 2972 5000 4397 2585 3278 3458 3504 2562 2689 3267 3409 1381 1876 3535 3433 4577 4147 2290 2707 1968 2067 2839 2735 1872 2114 1589 1922 3123 3344 5188 4742 3436 3558 2781 2763 3151 3038 3828 3916 2459 3174 3116 3117 4139 4759 5216 5110 4854 4779 2105 2445 3793 4196 3174 2865 2371 1850 1588 1528 1455 1524 2037 2029 3853 3806 4688 5153 1626 1843 3716 3041 1617 1804 1740 1534 4348 4296 3321 3194 1538 1594 4494 3995 407.1721 *407.2269* 407.2269@0.91627544 1 1 1704 1006 1037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1624 1610 1262 1066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 407.2269 *407.2446* C21 H42 Cl N S2 1318 1710 3426 3135 2501 2421 1714 2445 2263 1994 1989 2146 2787 2503 1920 1490 2076 2023 2610 2586 1839 1835 1457 1609 2771 2687 2027 2001 2559 2190 2781 2752 1742 1852 1983 1360 1663 1953 1653 2102 1898 1953 3442 2925 2206 2269 2070 2078 1322 1287 1 1 1208 1741 1 1000 1061 1 1 1 1843 1743 1127 1381 1556 1647 1100 1 2517 2366 2865 2721 1211 1081 1151 1 2064 1843 2067 2293 1 1 1004 1 1447 1763 1244 1 1 1 407.2446 *407.2807* C19 H41 N3 O4 S 17023 17706 19422 18616 20203 19354 18534 19168 19936 18150 20506 19684 17986 18544 18751 19498 19661 16373 16975 18479 19634 19098 17186 18316 18859 19297 19997 18672 17181 19281 19875 20083 20907 18675 15436 18040 16166 18341 17424 17556 16421 16661 18043 17894 18107 16832 13826 16188 15236 16301 16053 16052 15260 17248 15509 16303 13178 16113 13709 15846 16004 14536 15262 18270 17485 17243 15943 15050 14866 16211 13126 14769 17418 18138 14303 1305 14528 16457 9959 15636 17740 13275 17854 17034 14365 17150 16310 2071 15489 13946 407.2807 *407.2813* 407.2813@12.938448 1 2200 1 1 1 1 1 1 1 1 1 1 1134 1 1 1 1 1 1 1 1 1 1766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1967 1 1 1 1 1 1 1 1 1 1 1 1693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15315 1 1 4847 1 1 1 1 1 1 1 1 14481 1 1 407.2813 *407.3* 407.3@13.719907 1 1 1 1 1 1 1 1 1 1 4647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4458 1 1 1 1 1 1905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1372 1 1 1 1 1 1 1 1 1 2178 1 1 1 407.3 *407.3003* 407.3003@13.482795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1401 1 1 1 1 1 1 1 1 1 1 1 1 1 407.3003 *407.3021* 407.3021@13.838178 4739 4992 4194 4506 4835 4252 4046 4306 3965 4372 3437 3610 4477 3944 3726 3518 2196 1 2862 3098 3265 4428 4213 3937 2868 3612 3962 1 3516 4408 3723 2987 2523 2176 3122 3140 3219 3638 2450 2859 3585 3590 2897 3477 3445 3933 2816 2340 3284 2792 2670 3297 2929 2434 1947 2641 1963 2282 3982 3296 2816 2784 3784 3155 1 2668 2639 2822 2876 2876 1696 2349 2804 3182 2599 2465 2532 1 2146 2092 3045 3154 2090 2126 1 2588 1764 3299 2871 2269 407.3021 *407.3052* C24 H41 N O4 4939 5791 6981 6498 4893 6304 5238 5359 6147 5690 1051 6268 4762 5435 3488 5515 4639 3508 5348 4216 4076 5864 5304 5264 4494 4265 4920 5005 4475 5352 4914 4526 4093 2885 2917 3710 3785 3663 3734 3518 3027 3872 3169 3302 4477 4838 3524 4580 1402 3447 3675 2998 3014 3304 1435 2938 3289 2778 5005 2932 3141 2855 3557 2868 2951 3258 2641 2681 2644 2529 2821 1531 3959 3917 2891 3828 2253 3901 4894 3107 3372 4064 4071 3244 1 2374 1 3580 3258 4374 407.3052 *407.3589* 407.3589@13.95846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 407.3589 *407.3591* C18 H45 N7 O3 7495 7190 7925 7562 7745 7735 7889 8755 7353 7792 8120 7804 7168 8357 7871 7983 8096 8437 7878 6151 7545 8010 8008 7915 8045 7506 8052 7662 7914 8206 7780 8075 7326 7768 8152 7669 8038 7487 7865 8175 7353 7358 7639 7465 7741 8218 7749 8103 7152 7345 7170 6767 8196 8057 7463 7066 6137 8094 8124 7439 7437 6677 7789 7036 6895 7671 7448 7239 7518 7003 7669 7050 7777 7790 6819 7166 7195 7419 7712 6612 6828 7138 7497 8097 6892 7064 7203 7031 7448 6958 407.3591 *407.7477* 407.7477@5.5806 1 1 1172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1104 1205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 407.7477 *407.7808* 407.7808@0.8420067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2407 1 1 1 1 1 1 5910 1 1 1 1 407.7808 *407.7862* C8 H2 Cl2 O5 S5 2747 2456 1 2774 2621 2673 2322 2740 2607 2413 2619 2525 2444 2345 2614 1 1 2628 2620 2594 2305 2495 2405 2581 2624 2509 2637 2198 2481 2489 2459 2680 6917 2585 1 2347 2990 1 2964 5654 2896 2237 2474 1 2354 2409 2589 2897 6922 2667 2645 2292 2383 2618 2367 4564 2819 2477 2813 2669 2397 2322 6488 4879 5927 2337 3174 1 5809 1 2442 2173 2519 2178 2195 1 2263 2349 1 2524 4816 2442 2880 1 2548 1 2382 2132 2508 1 407.7862 *407.9116* C13 H4 N4 O4 S4 3634 3496 4904 3302 4219 4410 4775 4199 4426 4211 3359 3875 3546 3629 3938 4067 4401 4140 3824 3553 3723 4138 4476 3591 3359 3404 3283 3472 4222 4026 5000 4006 4436 4680 4330 4398 3611 4591 4296 4148 3464 3475 4080 4261 4182 4249 4869 3454 4274 4843 3561 4713 4803 3695 3449 4426 4038 3882 3828 3868 3805 3234 4619 3918 4239 4133 4278 3266 4461 4303 4718 3608 4358 3856 4333 4504 4619 4326 3375 4216 4289 4295 4700 3846 4182 5087 3624 3726 3362 4135 407.9116 *408.1042* 3-(a-Naphthoxy)lactic acid glucuronide 11303 11922 7027 7512 10808 10581 9319 9208 11497 11288 6430 5690 12474 12640 7412 7083 6465 5936 8649 8885 6379 6088 19273 19985 8727 8604 8676 8151 7143 6652 4991 4182 12059 12184 10187 10608 12685 13078 6530 6872 8943 9165 20614 18870 12285 11443 13853 15168 8759 8536 13448 12691 11624 10932 8932 9032 6088 5428 6074 6183 11060 10748 9196 9443 13488 13640 8412 8793 11002 11376 4548 4827 6892 7418 5757 5395 9081 9629 2901 2821 10671 11617 6517 6069 5310 5227 7472 7587 11832 11357 408.1042 *408.1443* 408.1443@3.246631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.1443 *408.155* 408.155@8.863714 1 1 1 1 1252 1029 1 1 1 1 1 1 1 1 1 3415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1886 1 1 1 1 1 1 1240 1177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1048 1 1 1 1 1297 1452 1 1557 1 1 1 1 1 1 1 1 1 1 1 1228 1 1147 408.155 *408.1675* 408.1675@9.545135 2381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.1675 *408.1733* 408.1733@1.2565029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1362 1554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.1733 *408.1959* C23 H36 S3 5387 5604 5727 5284 5072 5098 5591 5412 5512 4279 5811 5269 5696 5297 5693 4518 5823 4861 5728 4617 4730 5057 5775 4893 4362 5340 5478 3774 5288 4935 5488 4853 4249 5128 5119 5212 4737 4585 4363 5169 4825 5217 4784 5391 3481 4839 5378 3896 3634 3516 5084 4136 3742 4742 4245 4581 3863 3076 4287 3805 3988 3626 4057 4066 3478 3459 3573 3451 4022 3068 3494 4450 3348 3950 3892 3491 3426 2881 3137 3641 2096 3387 2489 1992 3197 2799 3326 3359 3766 2972 408.1959 *408.2744* 408.2744@9.82034 3843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4044 1 1 1 1 1 1 4566 1 1 1 1 1 4258 1 1 1 1 1 1 1 1 1 1 3324 1 1 1 1 1 1405 1 1 1 1 1 1 1 1 1 1 1 1 1 2689 1 1 1 3468 1 1 1 1 1 1 3528 1 1 1 3858 3630 1 1 1 408.2744 *408.2754* C21 H44 O3 S2 1 3590 4027 4143 3911 4057 4193 4503 4299 4754 4046 4577 4207 4233 4634 3831 4284 3975 4307 4243 4309 4218 4112 3832 4039 4087 1 4187 3592 4325 3799 4349 4075 1 4302 4551 4774 4278 4472 1 4312 4179 4234 4348 4650 3691 3269 3621 3375 1 1 3738 3770 3576 3713 3531 1363 3578 3411 3481 3412 4104 3890 3482 3005 3607 3267 3603 3882 3955 1 3837 2862 3215 1 3508 4021 2926 3432 3366 3818 1 3719 3441 3262 1 1 3887 3448 3822 408.2754 *408.3042* 408.3042@13.83942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.3042 *409.4637* 409.4637@14.705032 1 1 1 1 1 1462 1829 1 1 1214 1 1 1 1 1 1 1 1 1 1 1 1197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2113 1 1675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1145 1 1 1 1 1 1 1 1115 1 1 1 1 1 1 1 1 1 1 1 1 1835 1 1 1 1 1 1 1 1 1 409.4637 *409.4644* 409.4644@14.716322 3043 3137 1942 3319 1 1855 1007 3132 1568 2182 1895 3254 3358 3840 3500 3150 2811 3300 2303 3331 1 1841 2133 2360 4001 3613 3255 3159 3640 3271 3007 3118 3472 1527 1 3633 1154 3466 1889 2845 3002 3234 1551 2487 3245 3207 2961 2234 2649 1419 1093 3100 1 1 1686 2796 1 2632 1 1812 1284 2697 2245 1 2688 3453 1 2128 1 3477 1 3165 2756 1677 1704 1 3077 2956 3032 3202 1092 1613 1 3045 1 2954 1 2748 2892 1 409.4644 *409.8483* 409.8483@0.8268565 1 1 1 1 12732 1 1 1 1 1 1 1 1 1 1 1 13372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12243 1 1 1 1 1 11243 1 1 1 1 1 1 1 1 1 1 1 1 12545 1 1 1 6121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20499 1 1 1 1 1 1 1 1 1 1 1 1 1 409.8483 *409.8491* C7 H4 Cl2 N2 O8 S3 21470 21501 11931 20413 1 12206 12466 22195 12834 12642 21984 12216 12517 12872 13057 12409 1 12876 12105 21266 12661 20828 1 12679 12214 12034 12170 12623 12028 21881 20761 12536 12544 1 11903 12646 12691 12459 13026 1 12272 20473 11962 12256 19709 12601 12243 13232 9618 1 12729 12527 1 11625 12821 20970 6744 20692 11734 12175 12484 12531 11939 21643 12326 12188 12260 12170 11756 11845 12007 19906 11342 12408 11738 11501 1 11341 11957 11759 12127 20249 10312 11942 11516 11866 18861 11990 21284 11655 409.8491 *410.0857* 410.0857@11.622598 1 1 1 1 1 1 1 1708 1 1 1416 1 1 1 1 1 1178 1 1 1 1 1 1 1 1 1 1313 1 1 1243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2727 1 1 1 1 1 1 1 2168 1 1 1 1 1 1 1515 1 1412 1 1 1 1 1 1 1 1 1 1 1469 1 1 1052 1 410.0857 *410.1416* 410.1416@4.2120695 1 1 1 1 1 1 1 1 1 7300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6019 1 1 1 1 1706 410.1416 *410.1739* 410.1739@3.1060886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2991 3262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.1739 *410.2164* 410.2164@7.8252716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4481 4066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.2164 *410.2996* 410.2996@14.254833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.2996 *410.3025* C13 H38 N12 O S 2868 3085 2584 2532 2775 2129 2594 2725 2785 2772 2805 2901 2557 2837 2534 2720 2460 2401 1 2361 2897 1 2549 2528 2304 2820 2220 2252 2956 2669 2538 2568 2555 2407 2838 2635 1 1945 2524 2520 2582 3019 2877 2714 2785 2512 2322 2265 2768 2520 2671 3112 2440 2801 2898 2650 1072 2547 2296 2713 2640 2419 2667 2273 2755 2513 2436 2774 2674 2527 2861 2700 3266 2690 2539 2333 2726 2834 2682 2662 2649 2339 2636 2525 2514 2553 2559 2610 2172 2523 410.3025 *411.0315* 411.0315@0.89901 1 1 1 1 1 1 1 1 1096 1 1 1 1 1 2423 1 1 1 1023 1243 1 1 1209 1 1 1 1 1 1 1 1151 1 2263 1 1 1 1728 1980 1386 1 1 1 1 1 1 1248 1 1 3175 1 1 1 1441 1 1 1 1 1 1535 1762 1 1 1284 1277 1 1 1 1 1 1 1733 1566 1 1 1 1 1 1098 1634 2011 1 1293 1039 1 1267 1489 1 1 1 1831 411.0315 *411.0351* 411.0351@0.8983321 1 1 1 1 1 1 1 1 1 1007 1 1 1 1 1 1 1 1 1 1 1 1 1 1318 1 1 1 1 1 1 1 1 1 1315 1 1 1 1 1 1 1 1010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1670 1 411.0351 *411.0405* 411.0405@0.9000143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.0405 *411.1821* 411.1821@10.679096 1 1 1 1 2152 1 1045 1 1 1 2371 1 1 1917 1 3700 1 1 1 1 1845 1 1 2347 2704 1 1 1 1 1 4449 4113 1 1 4381 1 1 1 1 2478 1 1 1 3885 1 3629 1 2341 1 1 1942 1 2986 1 1 2615 1 1 1 1 1 1 1 1 1 1 1808 1 1 1 1 2090 1 1 1 1 1 1 1 1 1 1 1 1696 1 1 2194 1 1 1 411.1821 *411.1831* 411.1831@10.65546 1 1 1 1 2049 1 1 1 1 1 1456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.1831 *411.335* C24 H45 N O4 + 13.84763 16083 15034 17007 14328 17293 15448 17102 18303 15978 17485 16002 15573 14648 15794 16455 18416 15958 15577 17460 16814 16227 18918 18290 14799 13824 17290 15961 17763 16688 2422 14945 17777 1221 17363 16939 17034 16350 17937 17616 16510 15400 18544 16533 18787 16877 18241 16663 15165 17576 17842 17071 16573 17532 18104 15279 15683 14601 18571 17838 15579 14162 18118 16850 15505 16711 16258 17276 15276 17624 16308 16720 13544 15880 18017 16160 15850 16441 15751 16873 18420 16703 15723 17069 15800 14702 18037 14806 17915 15663 15648 411.335 *411.3351* C24 H45 N O4 18547 1 17689 19093 17153 19565 18416 19272 9223 19782 18761 18549 18146 18960 18413 16986 19146 18009 21818 20247 18509 18742 20116 17386 1 19529 19533 18799 19136 17313 2613 19963 19856 18024 18527 1115 18581 18849 18024 19711 18744 19469 19922 19651 20077 21045 18666 21580 21567 19531 18709 21933 22076 19242 21529 21318 1574 20712 19924 22599 21394 24093 19301 18831 23198 21819 24831 1 18756 17966 18471 18118 19649 24693 20652 21781 19054 18034 20572 24801 1 21227 18435 18481 18761 19861 1 22815 22105 1 411.3351 *411.3357* 411.3357@13.683929 1 8889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18449 1 1 1 1 11924 16572 1 17078 1 1 18241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18254 1 1 1 1 1 1 1 1 1 1 23418 1 1 1 1 1 1 1 1 1 1 1 1 22083 1 1 1 1 1 18665 1 1 19416 411.3357 *411.8489* 411.8489@0.8260029 1 1 1 1 1 7344 1 1 1 7827 1 1 1 8225 8635 9054 8448 1 8083 1 1 1 1 1 1 1 1 7696 8038 1 1 8738 1 1 1 1 1 1 8054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3108 1 1 1 1 1 1 1 1 1 7960 1 1 1 7383 1 8101 1 7789 1 1 1 7445 1 1 1 1 1 1 1 1 7795 1 8336 411.8489 *411.8496* C6 H11 Cl3 O6 S4 1 1 8062 1 1 1 8293 1 8326 1 1 7706 7954 1 1 1 1 8256 1 1 8117 1 8369 8137 8303 7775 7490 1 1 1 1 1 8137 8008 8298 8115 8310 1 1 7336 8292 1 8387 7998 1 7809 8204 8159 8100 1 8292 8233 7874 7428 7820 1 4705 1 7852 7658 8380 8479 8598 1 7995 7464 1 7777 7663 7981 1 1 1 8052 1 7786 1 7692 1 1 7973 1 8703 7799 7172 1 1 1 1 1 411.8496 *412.0769* 412.0769@0.90550154 1026 1 1 1 3480 2947 1 1 1353 1 1 1461 1 1111 1 1 1 1 1 1 1 1 1 1225 1486 1178 1 1826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2617 1 1 1 1 1 1 1 1 1 1 1 1123 1 1536 1524 1 1084 1489 1306 1498 1 1 1099 1 1 2066 1911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1803 412.0769 *412.1343* C23 H24 O5 S 1 1 1 1060 1 1 1343 1287 1018 1109 1 1042 1271 1877 1 1 1007 1130 1 1037 1173 1214 1440 1694 1 1 1 1 1 1 1356 1316 1139 1019 1297 1221 1570 1601 1139 1250 1355 1661 1 1 1023 1 1621 1188 1018 1 1116 1 1852 1896 1 1 1 1 1580 1920 1376 1187 1098 1 1340 1289 1 1 1603 1333 1407 1599 1035 1 1 1193 1242 1326 1929 1489 1 1255 1 1 1592 1420 1053 1003 1643 1710 412.1343 *412.17* 412.17@1.2440469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3833 3116 1 1 1 1 1 1 1 1 1 1 412.17 *412.2576* 412.2576@11.449822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.2576 *412.2588* 412.2588@11.423956 1 1 2801 1 1 1 1 1 1 1 7875 1 1 1 9429 1494 1 1 3259 1 1 1 1 1 2212 1 1 1 1 1 1 1 1 1 2583 1 1 1 1 1 1 1 2014 1 1 1 1 1 1 1 1 1 1 1 1 1 1393 1 2154 1 1 1 1 2637 1 1 1 1 1 1 1 1 1741 1 1 1 1 1 1 1636 1 1 1 1 1 3197 1 1 1 1 412.2588 *412.2596* 412.2596@13.099096 1 1 1 1355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.2596 *412.2599* 412.2599@11.36853 1 1 2117 1 1 1 3995 1 1 1 1 1 1 1944 1 1563 1 1 2233 2448 1 2840 1 3165 1504 1 1 1 1 1 1 1 1 1 1 1 2225 1 2123 1 1 1 5116 1 1 1 7783 1 1 1 2625 1 1 1 1 1 2191 1 3533 1 1 1 1 1183 1 1 1 1826 1 1 1 1 3429 1 1 1 2833 2079 2426 1 1 1 1 1719 1 2541 1 1 1 2080 412.2599 *412.333* 412.333@13.856987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2327 1 1 1 412.333 *413.2849* 413.2849@11.951141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 413.2849 *413.3117* C19 H39 N7 O3 6426 5976 5930 6529 5264 4876 5857 7121 5440 6393 6400 5888 4276 6003 7631 1826 5680 3513 6889 6639 6452 5950 5364 6408 6795 6381 6232 6135 6667 7125 6228 6348 6729 6185 5945 6843 5878 6095 1473 5868 6363 6458 7314 6122 6110 5271 6464 5132 5602 5185 6238 5690 4053 4342 4853 5174 2114 5142 4566 4430 5285 4912 4388 4383 4608 4129 4140 4073 5724 4516 3246 4155 3916 4540 3841 4492 4837 4784 4291 4002 4625 4379 3913 3567 4813 4687 4273 4186 4323 4113 413.3117 *413.3127* 413.3127@12.170012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3282 1 2196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 413.3127 *413.3305* 413.3305@12.360988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 413.3305 *413.3386* 413.3386@12.369176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 413.3386 *413.7541* 413.7541@5.669818 1 1 29942 30201 1 11598 9043 8633 1 1 8625 1 11966 1 1 1 6040 1 9014 1 1 1 1 1 16329 17631 12147 12556 1 1 23860 21442 5760 1 1 1 1 9520 1 8092 1 1 12280 11725 21599 19377 8684 8529 1 1 1 1 8729 8917 1 1 1 3608 1 1 8353 8188 1 1 1 1 1 1 21559 21398 18002 18574 1 4555 1 4100 17311 17187 11470 10715 1 1 1 1 1 1 1 1 1 1 413.7541 *413.8409* C11 H Cl3 O9 S 5964 6433 6105 6138 6509 5910 5478 6054 5777 5457 6227 5894 5735 5935 6028 6511 5591 6318 6067 5920 6180 6380 5931 6093 5666 6315 6212 5604 6214 6306 5988 6170 6330 6031 5451 5865 6393 6052 6578 5988 5299 1 5941 5651 1 5985 5852 5960 6057 5810 5870 6305 6041 5924 5673 5846 4362 5446 5832 5717 5991 5325 5665 6397 5580 5093 5812 5361 1 6141 5412 5966 5703 5949 6082 5976 5562 1 5942 1 5705 5950 5731 6139 6041 6048 5396 6091 5352 5436 413.8409 *413.8443* 413.8443@0.82702863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5714 1 1 1 1 1 1 1 1 1 1 413.8443 *413.9418* 413.9418@0.79685867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1092 1059 1 1 1073 1 1 1 1 1 1 1 1 1 1125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1151 1 1 1 1 1 1 1 1 1 1 1487 1 1 1 1 413.9418 *413.9541* 413.9541@0.8005328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1108 1 1 1 3153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 413.9541 *414.0416* 414.0416@0.90300393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.0416 *414.0491* 414.0491@0.907001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.0491 *414.1614* 414.1614@6.978767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4724 4577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.1614 *414.2039* 414.2039@10.091725 3057 1 1 4650 1 1 1 14242 1 4342 1 1 1 1 5323 4616 1 1 1 6378 4746 4771 1 1 1 18933 4998 1 1 4752 1 1 7143 7151 1 1 1 1 1 1 1 1 1 1 1 1 3746 5997 1 1 1 13847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.2039 *414.2042* Met His Lys + 9.8822365 4220 122193 124213 2410 3232 4424 8557 17212 95722 15826 6490 82210 8598 5013 23877 17775 17656 15177 22080 132712 18118 17788 1174 2552 13801 7847 16207 3645 126292 12854 3764 21682 156406 16560 3701 6216 2504 166528 8956 9427 13531 2038 1 5127 105661 10480 149082 13098 1891 8895 14142 128665 151611 147504 103459 104148 1500 9303 6482 145760 2326 12712 1033 7207 6655 10513 7772 7879 1 8081 5626 4631 4681 7187 5853 6456 5783 1823 2840 9061 5566 7209 11472 4220 1 4199 1 2975 6014 136972 414.2042 *414.2043* Met His Lys + 9.580145 121556 6505 6786 6372 5348 123578 134827 5899 4994 4543 85392 5510 90879 3969 7181 7878 118703 5647 7735 7612 7173 7343 96882 5181 7773 7408 6191 185748 6024 6278 8236 7603 7987 8872 95759 88980 168096 4117 124284 124354 4730 123439 89085 87348 4391 106435 5961 5788 113529 114034 133023 5124 5940 5950 5267 5101 95356 2912 6901 5610 128496 4403 105479 102723 125338 121834 111440 110738 150689 145523 136035 126170 85619 88287 111739 106399 164095 162030 119092 115763 144674 144992 151433 152135 119476 115501 95081 94618 3892 4321 414.2043 *414.2044* Met His Lys 6733 7315 7265 6084 1289 6251 5808 5368 6624 6607 5090 5285 5061 5423 7033 6683 1487 5476 7156 7364 7527 1 5907 5588 7770 7061 6181 5981 6383 6583 8506 7986 9774 9844 1 1 5301 1 6329 6082 7587 7929 4300 3755 4905 5205 7132 7269 7840 7111 6523 5840 1287 1 5998 5878 6041 6589 7544 7701 6726 6907 6757 6416 6485 6494 6114 6219 4915 4670 5417 5559 1 4763 5281 4904 6065 5450 1235 5201 1 1 5060 5793 4134 4664 4563 4447 5374 5215 414.2044 *414.2044* Met His Lys + 10.030071 2923 15452 8017 7949 2254 12079 15145 3823 3152 10925 15398 14112 9373 13545 16848 18962 15000 18312 20848 17670 18526 19620 13038 12611 16045 21252 16895 16279 19928 16157 23890 20299 17902 21575 11454 11021 12001 12477 8815 6665 7264 1944 1 6550 14465 10996 16133 11615 9811 10016 2734 13382 17282 16616 14421 10377 10504 8289 12919 5824 13030 15012 8360 8769 2548 6657 7689 6235 2520 8767 10529 8118 1 6094 7496 5761 10212 9000 7600 8638 9032 3923 7985 11365 1 1 5929 1 3189 3346 414.2044 *414.2044* Met His Lys + 9.714662 1480 2306 1 125660 124442 1 17291 137252 2025 93405 6948 15173 1 90192 117007 121663 1301 124659 165151 1020 235051 231619 1 95287 143643 145052 181469 1 6256 127574 116559 115585 7102 156008 1 1769 1 9808 1 3167 123613 4033 1 1 1003 1 12144 144272 1 1 1 1225 1 1 1525 1 1 95957 147471 1 1 127972 1 1 1 1 1 1 1 3011 1 4449 1 1 1 1 1 1 1 1 1 1 5770 1 1 1 1 1 137301 1 414.2044 *414.2046* Met His Lys + 9.901607 4825 17834 1403 1722 4837 7998 6661 11914 2162 9481 15047 5485 5704 2611 7567 1189 2501 2230 3325 8604 5869 4139 13393 6224 8348 1858 8910 1 2086 11405 20383 9894 5311 5320 11109 1 8859 8495 1 1 1 1445 1 1 10615 1 15109 4276 9898 1 16346 7138 14717 8834 13311 11204 1 5824 1 11466 11097 2150 6932 1 1 1 1 1 1 1 1 5241 1 1 5192 1 1 5959 6433 1 5486 1 5536 7474 1 1 1 1 4350 2353 414.2046 *414.2048* Met His Lys + 9.225381 7578 8080 7544 7485 7517 7457 7759 8099 1967 6914 5698 5755 4576 4488 10848 11418 6142 6935 9296 9199 9593 9594 5958 5649 8199 8819 11071 11509 7005 6565 9845 8584 13282 15791 7134 7158 7450 7382 8184 9041 12077 11610 6066 1918 7433 7110 10630 11123 9739 9142 9008 9088 10333 10353 8686 2141 7969 7955 11006 10047 10929 11130 8365 8009 11069 8782 12314 10517 7369 8155 10784 9866 8198 8756 1782 5804 11693 10930 9362 9719 7496 7148 9100 8818 7064 6929 5835 5896 8621 1831 414.2048 *414.2051* 414.2051@9.79042 1 1 1 1 5097 1 1 1 1 5657 1 1 1 4850 2200 1 1 1038 5658 22028 1 8936 1 1 1932 1984 1 1 1 1 1 1 10146 12672 1 1 1 1 1 1 1 1 1 1 1 1 1 1064 1 1 1 1 1 1 1 1 1 1 1 1 1 2625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.2051 *414.2468* C18 H38 O10 86274 90709 162440 164152 120807 124614 107277 109077 105538 107595 101449 100597 164888 164870 86644 87278 408846 404445 105209 104042 79018 80481 82710 82801 1775 112789 161599 168247 122271 121267 141680 139615 72083 74708 1329 1955 2540 2555 93089 90153 95002 94569 125564 124059 138324 123199 81053 82140 68135 67931 56960 53097 80251 1929 53975 59509 64378 1 1008 1 102967 101015 1 71937 81307 1366 1 47544 86558 120030 107482 110458 1 64460 62076 1 2485 110295 218199 210743 63481 1027 56082 56427 71630 1419 59965 61938 65689 64369 414.2468 *414.2575* 414.2575@5.6732473 1 1 1378 1123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.2575 *415.0893* 415.0893@0.90299433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1173 1227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.0893 *415.205* 415.205@4.39772 1 1 1284 1510 1 1 1 1 1 1 1226 1195 66852 64577 1 1 1 1 5026 5147 2353 2311 1 1 1 1 1 1 12412 12102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4932 5156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33230 33586 1 1156 1 1 1098 1 1 1 1 1 1 1 1 1 1 1 1 1285 1469 1531 1 1 1139 1 1 1 10609 11011 415.205 *415.2088* 415.2088@10.024764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.2088 *415.2216* 415.2216@4.879402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1476 1074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.2216 *415.2218* 415.2218@4.8148475 1 1100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1802 1659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1728 1745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.2218 *415.24* 415.24@5.052143 1 1 1856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1839 1 1 1 1 1 1 1 1 1 1 1 1 2431 1321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1432 1459 1 1 1 1 1 1 2197 2182 1 1 1 1 1 1 1 1 1 1 1 1 415.24 *415.2415* C15 H25 N15 1867 1770 2019 2055 1 1853 1924 1883 1842 1945 2019 1739 1854 1804 1697 1653 1739 2082 1716 1 1516 1570 1779 1758 1663 1862 1920 1794 1730 1717 1770 1812 1704 1746 1680 1834 1533 2092 1935 1902 1972 1615 1625 1753 2942 2125 1187 1241 1287 1310 1321 1454 1238 1440 1552 1 1360 1362 1357 1058 1262 1455 1378 1 1230 1350 1160 1340 1542 1744 1438 1077 1110 1277 1402 1389 1397 1439 1219 1159 1160 1277 1290 1324 1169 1376 1046 1217 1 1137 415.2415 *415.2599* C22 H41 N O2 S2 4750 5370 5707 4905 4971 5409 5157 5240 5206 4805 4972 4803 4940 5134 5138 5240 5428 4908 5276 5556 5245 5029 5402 5409 4817 5353 5083 4840 4858 5336 5075 5100 4862 5135 4943 5263 5294 5028 5267 5359 5561 5219 5170 5633 4188 3093 2826 3143 3397 2915 2552 3355 3272 3274 3393 3359 3482 2863 2855 2968 2919 2943 3200 3048 4148 3936 3180 3665 2977 3037 3382 3791 3109 3632 2932 3981 3982 3706 3227 3427 3432 3489 3092 3046 3402 3145 3698 3610 3474 2884 415.2599 *415.26* 415.26@10.815541 1390 1 1 1 1 1 1 1 1 1 1 1 1 1200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1264 1 1143 1 1 1022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.26 *415.3074* 415.3074@6.3674335 1 1 1 1 1 1 6577 7020 1 1 2855 3017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1277 1206 1 1 1376 1116 1 1 3326 3462 9622 8668 1 1 1 1 1 1 2446 2417 1 1 1 1 1260 1042 1 1 4047 2832 1 1 1 1 1 1 1 1 6931 6902 2039 1642 1 1 3894 3856 2320 2220 2078 2180 1 1 1841 1826 1 1 2173 1952 1 1 1499 1414 1 1 415.3074 *415.8304* C8 H Cl N2 O8 S4 4845 5066 4757 4809 4656 4991 4829 4910 5124 4911 5663 4954 4668 4521 4995 4932 1 5278 4432 5084 5074 4843 5063 4612 4950 4636 5214 4768 1 4652 4848 4594 5149 5012 5253 4913 5193 5042 5012 5471 4835 4734 4840 5307 1 1 5080 1 4562 4610 5305 5204 4569 4491 1 4879 4698 5175 1 5006 4774 5104 4636 5165 4281 4976 1 4446 4786 4677 4521 4539 4795 4545 4933 4422 1 4338 4630 4481 5017 1 4806 4691 5027 5166 4709 5158 4906 4841 415.8304 *415.9175* 415.9175@0.8040017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.9175 *416.0819* 416.0819@0.89901376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.0819 *416.0905* 416.0905@0.9005033 1 1048 1 1 1 1 1 1 1137 1 1 1 1130 1120 1 1 1 1 1 1 1 1 2401 2315 1 1 1271 1 1 1 1 1 1734 1683 1 1 1211 1308 1 1 1 1 2019 3070 1 1 1890 1977 1 1 1135 1 1 1 1 1 1 1 1 1 1169 1060 1 1106 1554 1316 1185 1212 1313 1 1 1 1 1 1 1 1 1 1 1 1323 1320 1 1 1 1 1445 1433 1 1 416.0905 *416.3348* 416.3348@11.104626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.3348 *416.3358* 416.3358@13.659296 1 1 1654 2944 1 1 1 1 1 1 1 1 1 1928 1 1 1 2839 1 1 3411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3358 1 1 1 1 1 1123 1 1 1247 1 1 1 1 2692 1 1 1 416.3358 *416.3381* 416.3381@14.710997 1 1494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2366 1699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1755 1 1 1 1 1 1 1 416.3381 *416.3489* 416.3489@5.925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.3489 *417.1359* 417.1359@3.1227748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075 1 1 1 1074 1 1 1 1064 1 1 1 1 1 1 1093 1289 1 1 1 1 1 1 1 1 1 1387 1 1 1 1 1053 1162 1240 1370 1 1 1 1079 1 1 1 1 1 1 1 1 1 1 1 1 1331 1056 1 1 1 1 417.1359 *417.1387* 417.1387@1.1590047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 417.1387 *417.1553* 417.1553@5.1129665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6257 6261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 417.1553 *417.178* 417.178@1.2340465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1555 1785 1 1 1 1 1 1 1 1 1 1 417.178 *417.2387* C22 H27 N9 1629 1737 1837 1753 1790 1647 1851 1797 1757 1877 1889 2217 1694 1653 1696 2053 1818 1866 1715 1778 1442 1952 1603 1851 1711 1551 1952 1769 2060 2071 1665 2168 1969 2132 1837 1970 1988 2269 1883 2072 1 1905 1935 2010 1728 1408 1234 1221 1291 1066 1233 1 1340 1239 1198 1078 1105 1155 1323 1244 1025 1212 1467 1198 1215 1213 1584 1322 1533 1314 1294 1002 1284 1377 1281 1115 1381 1234 1307 1614 1509 1 1364 1243 1228 1372 1527 1146 1329 1155 417.2387 *417.2576* 417.2576@4.540834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1972 2194 1 1 1 1 1 1 1 1 1 1 417.2576 *417.2577* 417.2577@4.2463036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2229 2489 1 1 1 1 1 1 1 1 1 1 417.2577 *417.8121* 417.8121@0.8466609 1 1 1 1 1 1 1 1 1 1 1 1 1 2089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1141 1 1 1 1 1 1 1 1 1 1 1 1090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 417.8121 *417.8195* C8 Cl2 N2 O8 S3 3663 1958 1981 1 2257 1 3080 2100 2142 2378 2402 2225 1 1 2309 2318 2258 2233 2330 2409 1 2006 2247 2065 2435 2490 3541 2126 2251 2190 2114 2293 2145 2233 2189 2277 1984 4270 2327 2170 3447 1 2457 2314 2191 1 2467 2609 1979 1 2242 2259 2377 1 2192 3467 2223 2123 2318 2266 2098 2090 2213 2221 2190 2165 2143 2168 2307 1 3021 2021 2472 2088 2001 2181 2006 2198 2191 1995 2225 2076 3236 2146 2042 1899 2058 3267 1 2419 417.8195 *418.0103* 418.0103@1.1309743 1 1 1 1 1 1 1150 1 1 1 1 1 1 1 1 1 1187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.0103 *418.0235* C19 H8 Cl2 N8 1481 1538 1 2143 1 2128 1 1 1 1 1 1 1332 1323 1 1168 1 1 1082 1 1 2039 1481 1314 1270 1510 1323 1067 1099 1441 1383 1272 1 1 1527 1424 1461 1826 1516 1559 1110 1082 1 1 1 1 1089 1186 1 1 1304 1473 1457 1372 1 1 1 1120 1426 1570 1 1 1 1411 1026 1 1 1 1356 1295 1 1638 1409 1427 2652 2208 1337 1224 2224 2165 1240 1435 1310 1284 1314 1618 1 1 1 1399 418.0235 *418.1685* 418.1685@1.2440468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1175 1 1 1 1 1 1 1 1 1 1 418.1685 *418.2197* 418.2197@4.5276594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4716 4580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.2197 *418.2337* Pro Phe Arg 2472 2232 2986 3072 1905 1982 1911 2074 1813 1727 1349 2011 3424 3172 5525 5806 2232 1928 4318 3828 1814 2195 1545 1630 4747 4786 3258 2529 2536 2491 12630 12311 5861 5916 7122 6614 6824 6138 5022 5078 5801 5765 3196 2934 6156 6741 9616 9902 4775 5363 6183 6046 6746 6416 7532 7600 7290 7697 7419 7018 17221 17129 6202 6635 14699 13160 7568 7190 5183 4945 4663 4664 7551 7561 6159 6120 7237 7105 4797 4911 2980 3202 6052 5974 1922 2375 3790 3533 11859 11715 418.2337 *418.3078* 418.3078@1.2559866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.3078 *418.3085* 418.3085@14.360021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6181 1506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.3085 *418.3086* 418.3086@14.153964 16221 1 16701 18643 1 1 1 1 15196 3967 1 1 1 18583 14956 27939 1 12654 1 26218 1 1 1 1 18315 1 1 17537 1 1 1 18117 16988 1 1 17321 1 1 16029 1 4859 17663 1 1 1 1 1 1 12572 1 1 1 1 1 9278 1 2438 17345 1 1 1 1 1 1 1 1 28291 1 1 1 1 1 1 1 1 1 1 1 13136 1 1 1 12167 1 1 2115 10520 1 17059 1 418.3086 *418.3088* (24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / (24S)-1alpha,24-dihydroxy-22-oxacholecalciferol 1 1 1 1 1 1 1 1 1 1 4950 1 1 1 1 1045 1 1 1 1 15929 13455 1 15277 1055 1 15289 1 1 1 15095 4108 4390 1 16802 1 1 1 1 1 1 1 30695 15526 1 1 13704 1 1 1 16533 1 1 1 1 4447 3839 1 1 13295 12138 10493 1 17071 14162 1 1 1 1 1 1 13052 13754 17694 1 1 1 1 1 1 14687 16914 1 14454 1 11503 1 16507 1 11050 418.3088 *418.3122* 418.3122@12.4179945 1978 1 1 1 1 1 1241 1 1 1467 1 1 1 1 1 1 1660 1 1 1 1 1 1 1 1 1 1 1 2142 1 1 1 1 1 1 1 1 1 1791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.3122 *419.0972* 419.0972@5.7150183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.0972 *419.1563* 419.1563@0.9260305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1034 1 1 1 1 1 1 1 1 1 1 1 419.1563 *419.2577* 419.2577@13.234953 1 1 1 2756 1 1 1 1 1 1 1 1 2462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.2577 *419.2595* 419.2595@13.192697 1 1 1 1110 24075 1875 1889 1 1 1 1 1 18568 1 1 1 2299 1 1 1 25480 1 1 1 1 1 1 1 33347 1 25490 1 26452 1 1 3217 28745 25664 30989 1 2854 27525 1 1 1 29822 1 1 1 1 1 1 1961 1 1 1 2626 1 1536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 4125 1 1 1 1 3610 1 1 2636 1 1 1 1792 1 1 1 419.2595 *419.2598* C25 H38 Cl N O2 26123 23643 30349 20957 1717 21738 24365 23071 23320 25246 25880 29479 6400 21971 23494 23953 23942 25760 23567 22990 1 21969 27955 25623 26459 25251 26174 26129 1 23470 1 28792 1 24220 25520 24264 3013 2715 1 27050 28774 1 25940 27671 28944 1 20379 19655 18767 21514 21373 27135 20566 22660 19039 19819 18591 19713 19425 21089 20607 19156 20854 22044 21518 22533 22477 19631 22706 17814 21243 20630 19361 22094 18080 21220 22136 21875 19453 20999 20522 22161 20831 19442 21613 20055 21499 21909 20089 21999 419.2598 *419.2656* 419.2656@13.246816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2417 1 1 1 1 1 1 1 1 1 1 1 1 1 3639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.2656 *419.2762* 419.2762@6.25838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.2762 *419.2845* 419.2845@6.264852 1 1 1482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.2845 *419.2944* 419.2944@13.265681 1 1 1 1 1 1 1 1 1 1 1 1 1 1542 1 1 1 1 3022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.2944 *419.3177* 419.3177@13.160596 1 1 1 1 1529 1 1 1 1 1 1 1 1651 1 1 1985 1 1 1 1 1584 1 1 2954 1 1 1 1 1 1 1 1 1 1 1 1262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.3177 *419.3217* 419.3217@14.055949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2545 1 3061 1 1 1 1 1 1 1 1 1291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.3217 *419.3219* 419.3219@14.142599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1281 1 1 1 1 1 1 1 1 4277 1 1 1 1 1 1 1 6240 1 6108 1 1 1 1 1 1 1 1 1362 1 1 1 1 1 1 1 1 1 1 1 1 3446 1 1 1 1 1 1 11356 1 1 1 1 1 1 1 1 1 1 1 7114 1 1 1 1 1 1 1 1 1 13841 1 1 1 1 419.3219 *419.3244* 419.3244@13.455873 1 1 1 1 4512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45786 1 1 8499 1 4662 1 1 1 3226 1 1 1 9425 1992 1 1 2850 1 1 1 1 1 1 1 1 1 9479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.3244 *419.3246* 419.3246@14.507652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1622 1 1 1 1 1 1 1 1 1 1 1812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.3246 *419.3894* 419.3894@14.393608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2461 1 2704 1 1937 1 2198 1 2448 1 2390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2689 1 1 1 1 2395 1 1 1 1 1 1 1 2330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.3894 *419.4956* 419.4956@13.4367485 1 1 1 1 1 3378 1 1 1 1 4804 1 1 1 1 1 1 1 1 1 1 1 2844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2772 4555 5876 1 1 2102 1 1 1 1 1 1 1 1 5183 4264 1 1 3104 1 4234 1 1 1 1 1 1 1 1 1 5020 1 1 1 1 1 2048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.4956 *419.7063* 419.7063@13.430887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.7063 *419.7509* 419.7509@13.433964 1654 1 1 1 1031 1 1436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1195 1 1 1 1024 1 1 1 1 1 1 1241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1384 1 1 1003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.7509 *419.7538* 419.7538@13.432726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.7538 *419.7658* 419.7658@13.431633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.7658 *419.7808* 419.7808@13.435191 1 1 1 1108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1070 1 1 1252 1 1 1 1 1 1 1 1 1 1 1 1 1102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.7808 *419.7917* 419.7917@0.8405074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6709 1 1 1 1 1 1 1 419.7917 *419.796* 419.796@13.4382105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1151 1 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 1 1 1 1841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.796 *419.8319* 419.8319@13.430706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.8319 *419.8528* 419.8528@13.436351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1034 1 1 1 1 1 1193 1 1 1 1 1 1 1 1 419.8528 *419.8621* 419.8621@13.428119 1 1 1 1 1 1409 1 1 1 1 1 1 1 1 1 1 1157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.8621 *419.8698* 419.8698@13.435819 1 1447 1672 1 1 1 1 1 1232 1 1272 1 1 1 1 1 1 1 1416 1 1 1 1 1 1 1128 1 1 1 1 1 1 2125 1 1 1381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1033 1 1109 1 1171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.8698 *419.8761* 419.8761@0.8515776 1 1 1 2526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2619 1 2707 2681 1 1 1 2277 1 1 1 1 1 1 1 2651 1 1 10127 1 1 1 3013 1 1 1 1 1 2469 1 2516 1 1 2569 3096 1 3130 1 1 1 1 2830 1 1 1 1 1 1 1 2289 1 1 1 1 1 1 1 2650 1 1 1 2226 1 2294 2560 2396 1 1 2344 1 419.8761 *419.8775* C11 H Cl N2 O10 S2 10297 10229 9813 7224 10604 10412 10932 11573 10320 10260 10324 10415 9930 9870 10627 10388 10738 10128 8118 14197 8209 9187 7268 7182 10436 10258 9610 7364 10856 9795 8389 12233 10677 10208 9757 6601 9866 7078 1 9136 9420 7749 7482 13718 11596 7598 10320 12828 6593 9738 7469 10004 11852 6932 7584 15376 7010 11795 11088 9345 10121 9432 12883 10153 9734 9579 9563 8765 8645 6948 9713 9212 7976 9987 9113 9400 12020 7856 9289 10298 8659 7067 8507 6670 6345 7273 9570 9678 7696 9663 419.8775 *419.8868* 419.8868@13.43484 1 1 1 1 1 1 1 1535 1 1 1 1 1 1 1 1 1 1 1 1 1 1814 1 1 1 1 1530 1 1 1 1 1 1 1 1 1 1235 1 1 1 1 1 1 1 1 1 1 1 1 1753 1 1 1268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.8868 *419.8916* 419.8916@13.436663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.8916 *419.9104* 419.9104@13.435496 1 1 1 1 1 1 1 1 1 1062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1182 1 1 1 1 1 1103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.9104 *419.9256* 419.9256@13.434643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.9256 *419.9337* 419.9337@13.43888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.9337 *419.9481* 419.9481@13.430043 1371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.9481 *419.9616* 419.9616@13.432706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.9616 *420.1617* 420.1617@4.3966494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2137 2021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.1617 *420.1791* 420.1791@11.684253 1125 1869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1083 1 1 1 1 1 1 1 1 1 1 1 1 1030 1 1 1 1 1 1209 1 1 1 1 1 1 1 1 1 1 1095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.1791 *420.2193* 420.2193@12.730894 1 1 1 1 1 1 1 1 1 1 1 1 1 1031 1 1 1 1 1 1 1 1 1 1 1 1018 1 1 1 1 1 1 1 1 1 1 1019 1 1125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.2193 *420.2251* 420.2251@11.420985 1 1 1 1 1056 1 1 1 1 1 1 1 1 1 1241 1 1 1 1 1 1 1 1104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1218 1 1 1 1 1 1 1 1 1124 1 1 1 1 1 1 1 1 1 420.2251 *420.3263* 420.3263@13.74212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.3263 *420.3267* 420.3267@13.916876 1 1 1 1 1 1 1 1603 1 1 1 1 1 1 1 2129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1873 1 2478 1 3403 1 1 1 1 1 2302 1 1 1 2225 1 1 1 1 1 1 1 1 1 2910 1 1 1 1 1 1 1833 1 1 2117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1731 1 1 1 1 420.3267 *420.3269* 420.3269@13.604066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2388 1 1 1 1 1 1 1 1 1 1 4858 1 1 1 1 1 1 1 6278 1 1 5064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4005 1 1 1 1 1 1 1 1 1 1 1 1 1 420.3269 *420.3317* 420.3317@11.104114 1 1 1 1 1 1 9722 1 1 1 1 1 1 1 1 1 1 1 1 9214 1 1 1 1 2458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1189 1 1 1 1 1 1 1 1 2428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.3317 *420.5012* 420.5012@13.434264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.5012 *421.1886* 421.1886@2.9642198 1 1 1 1 1 1 2430 2361 1 1 1297 1316 1 1 1 1 1 1 1 1 1105 1 1 1 1 1 1 1 1 1 1 1 1 1 1436 1407 2430 2412 1232 1655 1141 1 1398 1548 1143 1025 1 1 3093 2985 1 1 1056 1 2060 2073 1010 1 1766 1626 1271 1353 1 1 1 1 1 1 1130 1 1801 1307 1 1566 1 1 1144 1394 1 1 1 1 1 1208 1 1 1 1 2372 2051 421.1886 *421.2397* 421.2397@13.139836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9668 7861 1 1 1 1 1 1 1 10420 1 1 1 8902 1 6352 1 9783 10182 9409 9614 1 10782 1 1 1 1 1 11259 1 1 1 1 1 1 1 1 1 10570 1 1 11396 1 1 1 1 1 1 10591 421.2397 *421.2422* C30 H31 N O 1 5737 1 6327 9591 6415 6065 6096 8385 8695 7713 1 5578 6540 9715 8444 7345 6297 8574 9578 10116 6349 1 6222 6392 7029 10872 8270 1 7246 6787 1 9835 9288 7612 7526 1 7702 1 7039 1 1 1672 9144 6836 1 9523 10698 6618 11382 1 1 11494 9895 1 8583 2874 7053 1 1 1 1 6567 1 10236 7319 6565 8256 7227 1 10530 9495 6900 11633 11332 10198 8138 10659 10065 1 10308 7144 1 7721 11486 7709 12659 12812 7030 1 421.2422 *421.3358* Demissidine 1 2222 1831 2078 1 1866 2048 1967 2092 2109 2309 1 2671 1 1893 2232 1 2020 2052 2014 1 1392 2339 1 2234 1944 1 1 1866 1 1 2030 2118 1 1 1 2091 1 1 2250 2404 1 1 1 1 1 2062 2342 1928 2042 2066 1 2573 1 1342 1805 1668 2591 2164 1934 1 1953 1902 2101 2155 2220 1820 1737 1 1967 2023 2539 1 1930 2311 2152 1903 2436 2351 2028 2231 1 1788 1911 1 1966 1 1 1 1 421.3358 *421.3391* 421.3391@13.195367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2059 1 1 2257 1 1 1 1 1 1 1839 1 1 1 1 1 1740 1 1 1 1 1 1 1 2469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2425 1 1 1764 1 2068 1823 2099 1450 421.3391 *421.3689* 421.3689@14.474312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 421.3689 *421.8707* C7 H9 Cl3 O10 S2 2493 1 2122 2994 2703 2506 2308 2763 1 2730 2957 2762 2485 2216 2330 1 2523 3865 1 1 2431 2734 1852 2250 1 2581 2459 2282 2622 2568 2874 2804 1 1 1 2391 2808 1 1 1 2570 2724 1 1 2103 2488 2661 2540 2907 2827 2203 2317 2905 2586 2781 1 2394 2485 2533 2711 2634 2962 2565 2516 1 2294 2257 2201 2748 2632 2276 2181 2427 1 2515 2788 2348 1 2686 2425 2503 2800 1 2339 2604 1 2873 3341 2192 2580 421.8707 *421.8774* 421.8774@0.82915217 1 4165 1 1 1 1 1 1 4034 1 1 1 1 1 1 3817 1 1 1 1 1 1 1 1 3852 1 1 1 1 1 1 1 1 4235 3546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 421.8774 *421.9228* 421.9228@0.8042065 1 1 1 4464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4836 1 1 1 1 1 1 1 1 1 1 4814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4481 1 1 4026 1 1 1 1 1 1 1 1 1 1 1 1 421.9228 *422.165* 422.165@2.153977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2663 3915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.165 *422.1666* 422.1666@2.2349749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18580 14437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.1666 *422.2506* 422.2506@13.141911 1 1 1576 1 1 1 1 1 1 1 1 1682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1718 1 1 2024 1 1 1 1 2026 1 1712 1 1991 1 1 1 1 1851 1 1 1 1 1 1175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.2506 *422.2587* 422.2587@13.14708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.2587 *422.2678* 422.2678@5.3325624 1 1 2082 2143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1104 1235 1 1 1 1 1042 1104 1 1 1 1 1 2012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1429 1894 1172 1248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.2678 *422.2683* 3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oic Acid 10282 9372 42269 43747 18101 18546 14462 14997 15361 15149 13720 14386 20433 19913 9401 8719 10863 10805 14521 14687 9469 10573 9877 9398 25404 25491 19125 19384 10699 11542 32792 33682 8768 8892 12021 10729 17697 17431 13476 14404 13421 13767 20576 18362 30842 30350 13425 14648 9956 10081 5914 6364 14060 14551 6410 7447 8548 7584 6240 6467 13511 13443 11916 11849 15081 14442 6195 5538 34064 31942 28751 28225 6961 7441 7451 7246 26807 25924 18028 17465 7713 7459 7096 7119 10096 10417 7738 8199 6169 6006 422.2683 *422.2859* 1alpha-hydroxy-22-(3-hydroxyphenyl)-23,24,25,26,27-pentanorvitamin D3 / 1alpha-hydroxy-22-(3-hydroxy 2155 1 2429 1 1 1 2880 1 2711 2641 3081 3133 1 1 2559 1 3207 3046 3831 1390 3021 2698 3384 3659 3260 2791 1755 3110 2963 2987 1781 1 3068 3139 4017 2953 3039 3942 4877 5444 4673 3749 3178 4295 4255 1 3603 3817 4393 1 2222 4892 4364 3752 3975 3791 1 3161 4513 4263 4635 4691 3371 1373 4446 4150 4707 4436 1 4624 1098 4225 5262 3472 2306 2898 3425 1 3236 4872 4535 4640 3633 1 1 5090 4264 3811 3145 1415 422.2859 *422.2863* 422.2863@9.933845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1068 1 1 1 1230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2158 1 1 1 1 1 1 1 1 1 1 1 1 2454 1 1 1 1 1 1 2977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.2863 *422.7496* 422.7496@6.840117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1433 1745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.7496 *422.7697* C12 Cl3 N S5 3564 2907 16524 16483 6231 6518 5341 6010 5646 5161 5144 4998 8307 8055 3292 3058 4176 3993 5236 5150 3969 3109 2986 3501 10097 9102 6882 7038 4073 3750 13067 12835 3465 3626 3926 3811 6676 6555 4707 5278 4410 4973 6682 6759 12214 11246 5766 4970 3727 3275 2027 2393 5188 5324 2400 2584 2756 2753 2407 2543 4959 4649 4040 4598 5299 5354 1910 2050 12820 11280 10446 11305 2604 2769 2609 2857 9632 10363 6515 6075 2717 2574 2387 2298 4046 3440 2729 2656 2371 2136 422.7697 *423.1329* 423.1329@0.9186709 1 1 1 1 1069 1206 1 1060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1061 1 1 1 1 1053 1271 1 1 1 1 1 1 1 1 1 1 1032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1170 1136 423.1329 *423.1706* 423.1706@2.2500043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 423.1706 *423.1709* 423.1709@2.197004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 423.1709 *423.2778* 423.2778@13.687242 1407 1 1 1341 1 1 1 1 1 1 1 1 1 1172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 423.2778 *423.284* 423.284@9.803726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1764 1790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 423.284 *423.352* 423.352@12.752297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 423.352 *423.3529* 423.3529@11.031401 1 1507 1 1844 1766 1577 1765 1398 1 1 1590 1421 1409 1668 1 1385 1 1567 1654 1432 1440 1504 1740 1831 1 1261 1 1 1497 1017 1384 1606 1797 1566 1348 1488 1516 1553 1507 1651 1 1374 1 1755 1529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1215 1168 1067 1 1008 1 1 1 1 1 1 1 1 1269 1 1 1 1 1 1 1188 1 1 1 1 1 1 1 1 1 423.3529 *423.3551* C19 H41 N11 8968 9711 8361 9031 8216 8690 8171 8472 7945 8853 9318 8590 8767 9300 8555 8284 8971 7791 8389 8729 8313 8292 8355 8939 8578 9031 8490 8169 8345 8708 8922 8595 8743 7845 8055 7510 8433 6881 7953 8742 8630 8704 7508 7825 8100 7550 8359 7490 6848 6920 6950 7562 6828 6299 6987 6543 6360 6500 6469 6515 6068 6892 6494 6882 7071 6906 6810 6442 7384 7156 6116 6046 5892 6575 7224 6851 6685 6461 5520 6471 6965 6127 6658 6098 6624 6136 5922 6813 6766 6692 423.3551 *423.8655* C14 O10 S3 4229 1 3943 1 4859 4131 1 4508 4505 1 4641 1 3805 3870 1 1 4183 4396 1 1 3905 7276 3464 1 1 1 7132 3787 1 4043 3818 1 4663 1 1 1 1 1 3846 1 3958 4162 1 1 1 1 1 4255 4077 4383 4033 3991 4703 4591 1 1 3775 3683 4521 4267 4581 4222 1 4322 1 1 4343 1 1 1 1 3670 4038 1 4106 1 3948 3855 1 1 1 4317 4552 3514 1 3810 4694 4873 3452 3979 423.8655 *423.8706* C8 H15 Cl3 O3 S5 3677 7644 3918 7647 1 3800 1 1 3544 8264 3852 4677 1 3672 4095 3573 3232 1 1 7352 3569 1 3451 3406 7489 7363 1 3376 7352 3731 3854 3245 1 7921 3463 7010 7362 7036 4007 6946 3694 3382 1 7412 6982 6810 7313 1 1 1 3350 3558 3331 3402 7451 7658 3415 3531 3442 1 1 3038 3381 3688 1 1 1 1 3674 3588 6651 3378 1 3696 3307 8321 3309 3390 7363 1 1 1 1 3509 1 3322 1 3499 3383 3478 423.8706 *423.9018* 423.9018@0.8000107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1270 1 1 1 1 423.9018 *424.1036* 424.1036@3.2186904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1752 1 424.1036 *424.1287* 424.1287@10.117025 1 1 1 1 1318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1151 1 1 1 1 1 1 1 1082 1 1 2314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.1287 *424.1299* 424.1299@8.870047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1642 1462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.1299 *424.1417* C18 H32 O5 S3 5931 6330 8197 7785 5970 5041 6841 6917 4115 4283 7422 6594 5394 5933 8921 9167 6897 7551 7879 7981 8338 8713 6168 6707 10295 10243 8273 8968 7815 7328 9417 10287 6895 7012 6106 5849 6313 6483 5469 5427 3292 3193 3578 3676 5972 6136 7199 7604 4476 4839 9859 8788 11167 11319 7284 8032 4936 5133 7527 7167 8862 7814 6019 5368 5954 5959 5074 5223 6579 6502 5554 5678 5025 5482 5007 5157 7626 8172 5506 5213 7865 7918 8682 8632 4496 4544 3663 3327 9176 9477 424.1417 *424.2166* 424.2166@13.167147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6876 1 1 1 1 1 1 1 424.2166 *424.217* Diphenoxylic acid(DPA) 7637 7642 7740 6762 7566 6390 7224 8268 7171 8196 6949 7900 7593 8460 8059 7388 6997 7333 7317 7529 8632 8185 7913 8026 8034 8437 8227 8075 8534 8089 8870 8594 9650 7122 8410 8081 8467 8123 8014 8591 6785 6280 9115 8342 8636 8660 8416 8318 7525 7761 7990 8292 8291 8621 8154 7428 7897 8300 9017 7858 7100 7684 7540 8265 7081 8114 7519 7793 7581 7414 7679 7677 8132 7946 8240 8599 7987 7425 8099 8386 7709 8387 1078 7130 9129 8555 8194 8335 7590 7860 424.217 *424.2802* 424.2802@13.977863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.2802 *424.2806* 424.2806@14.106357 1 1 1 2132 1 1 1 1 1 1 1 1 1 1 1 1720 1 1 1 1 1 1 1 1 2389 1 1 1 1 1 1 1 1107 1 3530 1 1 1 1 1 1 1 3179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1785 1 1 1 1 3380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1969 1 1 1 1 424.2806 *424.2807* 424.2807@13.753318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5195 1 1 1 1 424.2807 *424.2811* 424.2811@14.057172 1 1697 1536 2811 1 1 1 1 1 1 1456 1 1 1 1 2510 1 1 1 1 1 1 2199 1 2143 1 2977 1 1 1 1 1376 2621 1 1357 1 1 1 1 1 1 1 2275 1844 1 1 1 1 1 2748 1 1 1 1 1 1 1 1 2521 1 1 1 1 5946 1 1 1861 1 2863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2200 1 1 1 1988 424.2811 *424.453* 424.453@13.432884 1 1 1 1 1579 1 1 1 1 1 1 1 1 1 2037 1 1 1 1 1 1 1 1 1 1 1757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1648 1 1 1 1 1 1 1 1 1 1 1 424.453 *425.2055* 425.2055@3.9344716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2466 2737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 425.2055 *425.2635* Val Lys Tyr 1283 1046 1262 1358 1 1219 1036 1177 1228 1055 1 1 1 1369 1 1027 1098 1345 1 1 1178 1068 1439 1 1077 1283 1215 1228 1333 1 1252 1080 1380 1 1 1099 1 1091 1 1165 1 1 1243 1121 1146 1216 1242 1161 1303 1242 1214 1006 1566 1117 1292 1118 1 1412 1063 1161 1158 1200 1003 1009 1 1404 1 1389 1357 1185 1154 1022 1364 1 1182 1270 1283 1308 1545 1216 1172 1395 1010 1182 1 1048 1401 1 1089 1185 425.2635 *425.2839* 425.2839@13.583644 1 1 1 1 1 1 1 1691 2562 1 1 1 1 1 1 1 1 1 1759 1 1 3899 1 1 1 1569 1 1 1 1 1 1 1 1 1 6575 1512 1 1 2642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1196 1 1 1 1 1 1 1 1 1 3715 1 1 1 1 1866 5932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 425.2839 *425.2856* 425.2856@13.632741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 425.2856 *425.3086* 425.3086@8.929726 1 1 1 1 1 1 1 1 1 1 1 1198 1122 1 1 1187 1 1042 1 1 1 1 1 1164 1 1054 1059 1 1 1 1024 1 1 1 1153 1 1 1 1086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1128 1 1 1 1 1 1 1044 1 1 1 1 1 1 1 1 1 1 425.3086 *425.8618* C14 H9 Cl3 O S4 2760 2534 4107 2437 2389 1 4810 4918 1 1 5343 5248 4713 4661 5103 4562 2747 2522 1 4459 1 1 1 2002 4988 4916 1 2575 4649 4280 4659 1 4693 4564 4640 2339 2340 2761 2556 2048 2355 4795 2242 4693 2447 4339 4822 2814 2769 2636 2200 2406 4831 2774 4602 4770 2079 1 4724 2443 3101 2470 2723 4309 1 1 2562 2157 1 2549 2171 4605 4698 4848 4240 4270 1872 4085 2104 4330 2359 4284 1 2519 2275 2226 4927 2559 1920 2306 425.8618 *425.8628* 425.8628@0.817334 1 2569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2788 2706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1979 1 1 1 1 1 1 1 2342 2102 1 1 1 1 1 1 1 1 1 1 1 1 1 2348 1 1 1 1 1 1 1 2446 1 1 1 1 1 425.8628 *425.8649* 425.8649@0.8176144 1 1 1 1 2864 1 1 1 5116 1 1 1 1 1 1 1 1 1 1 1 1 1 4223 2242 1 1 1 1 1 1 1 1 1 1 1 2570 1 1 1 2449 2368 1 2503 1 1 1 1 1 1 1 1 2533 1 1 1 1 2180 4842 1 2231 1 1 1 1 1 1 1 2286 1 1 2260 1 1 1 1 1 1 1 1 1 1 1 1 2258 1 2468 1 2521 2273 1 425.8649 *426.0758* Diflunisal acyl glucuronide 1 2116 1188 1 1 1 2605 2481 3268 1 3008 2878 1 1528 1808 1949 2268 2457 1848 1642 1 1 1 1 2566 2601 1 1 2463 2396 1 1621 2160 1818 1748 1834 3238 3112 1294 1 2421 2527 2017 1 1 1 3828 4485 2481 2420 3127 3442 3937 1 3200 2923 1 1624 2274 1 4864 5172 1 1 2240 1854 1 1 1 1 1093 1 2794 2597 1 1 1 1683 1 1 1757 1 1581 1775 1 1811 2500 2876 2114 1 426.0758 *426.0809* 426.0809@0.8520086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.0809 *426.151* 426.151@3.4706583 1 1 1 1028 1 1 1 1 1 1 1 1 1813 1688 7317 7952 1 1 1 1 1 1 1288 1357 1 1 1187 1222 1 1 1 1 1250 1230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4740 5028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.151 *426.2443* 426.2443@12.989762 1 1 1 1123 1 1 1 1 1 1240 1 1601 1 1 1209 1 1 1 1 1469 1 1316 1 1512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1215 1124 1 1 1 1 1 1461 1 1 1 1 1070 1 1 1102 1 1290 1 1527 1 1026 1 1 1 1 1 1 1 1 1357 1 1439 1 1 1 1215 1 1 1 1 1 1 1 1 1 1 1 1 1187 1 426.2443 *426.2509* 426.2509@12.992434 1 1112 1 1 1 1 1 1561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1217 1 1 1 1 1 1 1 1 1 1 1 1 1422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.2509 *426.2919* 426.2919@13.098796 1 2059 1 1 1 1 1 2203 1 1998 1 2393 1 1 1 2085 1 1 1 2001 1 3090 2129 1994 1 1 1 1 2205 1 1 1 1 1 1 2125 2249 1 1 1 1 2631 1 1 1 1 2425 1 1 1983 2039 1 1 1 1 1 1781 1 2087 1 1892 1 1 1 2284 1 1 2319 1 1609 1 2247 1 2134 3383 1 2387 1892 1 1 1 1 2359 1888 1767 1117 2106 1863 2061 1 426.2919 *426.2949* 426.2949@11.433729 1 1 1 1154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.2949 *426.3748* 426.3748@12.342951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1835 1 1 426.3748 *427.2101* 427.2101@5.057177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1779 1 1 1 1 427.2101 *427.3752* 427.3752@12.929305 1 1 1 1 1 1 1 1 1459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 427.3752 *427.3766* C24 H49 N3 O3 5552 6023 5558 6060 5904 5941 5757 5311 4491 5742 5887 5970 5539 5843 5705 5632 5341 5587 6312 5337 5699 6123 5639 5356 5641 5278 5307 5366 5225 5046 5216 4991 5037 6218 5143 5253 5948 5415 6062 5633 5715 5921 5333 5924 6217 5221 4747 4757 4341 4208 4607 4411 4592 4727 4336 4439 4105 4470 4448 4149 4338 4684 4388 4055 4603 4055 4346 4252 3592 4002 4024 4448 3466 4386 4435 3967 4093 4303 4114 4331 4285 3998 4291 4320 4288 3766 4051 4033 2978 4691 427.3766 *427.8425* 427.8425@0.8539796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 427.8425 *427.8542* 427.8542@0.825186 1738 1788 1949 1 1 1948 1758 1 1 1897 1 1849 1 1995 1940 1 1 1 1841 1 1 2228 1 1 1 1638 1 1 2125 1800 1 1882 1 1 1 1 1 1 2290 1 2005 1 1585 1 1979 1 1 1730 1 1 1 1 1 1 1935 1 1 1 1906 1 1 1 1697 1 1 1978 1 1 1 1 1 1 1 1 1569 1 1 1 1 1 1 1 1 1839 1 1 1 1 1 1764 427.8542 *427.8603* 427.8603@0.8186334 1 1 1 1 1 1 1 1185 1 1 1 1 1 1 1 1560 1 1 1 1145 1795 1 1 1 1 1 1350 1 1 1 1127 1 1 1 1757 1 2358 1 1 1190 1 1 1 1202 1 1 2008 1 1157 1 1 1852 1 1 1 1088 1 1 1 1 1791 1 1 1 1 1 1858 2138 1 1 2103 2003 1 1 1 1 2011 1 1 1266 1 1 1 1 1277 1405 1 1379 1 1 427.8603 *428.0185* 428.0185@1.2334924 1 1 1 1 1 1 1 1 1 1 1 1 1662 1 1 1 1 1 1 1 2230 1 1 1 2062 1 1551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2058 1103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.0185 *428.0538* 428.0538@0.8921826 1 1 1 1 1 2520 2663 1 1 1 1 1 1 1417 1 1712 1656 1 1266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2174 1785 2091 1947 1734 1 1 1 1 1781 2251 1929 2430 1 2084 1 1 1 1 1 1 1 1 1 2310 1 2117 1 1 1 1 1 1 1 1 2003 1875 1 1 1 1979 1 1 1 1 1 2747 1 1 1 428.0538 *428.1185* Phenytoin-N-glucuronide 1 1 1 1 1247 1 2100 2483 3624 3545 5614 5602 14373 14205 1880 1857 1 1 1826 1750 1 1 4626 4261 1 1 1 1 3370 3769 1 1 1846 1678 2407 2670 1 1 1782 1883 6776 6958 1 1 1 1 1 1 1 1 1 1 12397 12045 1 1 1 1 3456 3713 1 1232 1 1 9552 9010 1 1 3005 3403 4861 4643 11736 12237 7278 7459 7033 6901 5055 4973 1321 1498 1 1 2993 3600 4496 4301 1 1 428.1185 *428.1439* 428.1439@1.2370416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1032 428.1439 *428.1644* 428.1644@4.4090843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1782 1873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.1644 *428.1652* 428.1652@1.2285461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16370 16038 1 1 1 1 1 1 1 1 1 1 428.1652 *428.2261* 428.2261@4.5958447 1 1 1 1 1 1 1 1 1 1 1 1 1 1504 1 1 229162 228627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.2261 *428.2338* 428.2338@11.142193 1 1 1453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1983 1 1 1 1 1 1 1 2414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1361 1 428.2338 *428.2403* 428.2403@8.264596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.2403 *428.254* 428.254@13.190438 1 1414 1 1 1 2207 2280 1 1 1976 1478 1 1 1 1418 2229 1 1511 1 1 1987 1 1 1 1825 1 1 1881 1 1 1 1475 1 1835 1 1 1 1 1 1 1 1 1768 1 1882 1 1 1 1979 1 1 1601 1583 1593 1112 1 1 1 1313 1581 1 1876 1 1483 1708 1 1 1 1 2062 1 1 1554 1 2007 1 1 1 1 1 1 1 1 1 1 1 1 1 1628 1 428.254 *428.2542* 428.2542@13.503337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.2542 *428.2823* 428.2823@11.262789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.2823 *428.2929* (23R,25R)-25-hydroxyvitamin D3 26,23-lactone / (23R,25R)-25-hydroxycholecalciferol 26,23-lactone 7251 6562 7137 8059 7049 6194 6711 6881 7055 6371 6918 6197 7018 6135 6958 6324 6309 6489 6015 7166 6145 5887 5699 6194 6116 5964 6086 5297 5897 6962 5562 6757 5789 6347 6474 5304 5960 5336 5637 6101 6278 5864 5483 4853 5886 5674 4824 5455 5070 4260 4866 5404 5521 4649 4809 4110 4523 4577 3489 3993 3682 4365 3673 4461 4082 1 4373 3428 4619 4611 4318 2952 3895 4427 3970 3574 3887 4194 3952 3735 4361 4086 3675 4325 3558 3650 3101 3382 3966 4159 428.2929 *428.7966* C9 Cl N O7 S5 2807 2611 2737 2463 3024 2490 2452 2348 2876 2528 2545 2730 2475 2537 2300 2703 2578 2326 2365 2414 2309 2605 2456 2579 2669 2242 2329 2421 2592 2436 2140 2352 2565 2487 2248 2142 2183 2235 2455 2148 2116 2189 1882 2467 2270 1930 1974 2077 1986 2081 1744 1387 2186 1585 1774 1856 1714 1682 1879 1443 1656 1502 1608 1601 1 1861 1739 1604 1407 1427 1538 1577 1357 1402 1905 1 1662 1505 1486 1797 1340 1674 1576 1618 1184 1 1478 1249 1378 1459 428.7966 *429.2405* 429.2405@5.664041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9502 8870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3720 3629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2126 429.2405 *429.2485* 429.2485@5.666212 3125 2800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1850 1 1 1 1 1 1 1 1 1952 1 1602 1 1450 1 429.2485 *429.2556* 429.2556@5.032387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2516 3630 1 1 1 1 1 1 1 1 1 1 429.2556 *429.2558* Mebeverine 1 1 3513 3667 2077 2581 2369 1991 2011 1962 2014 2130 2743 2641 1470 1 2071 2245 2246 2159 1 1779 2067 1653 3035 3182 2424 1840 2017 1944 3020 2773 1 1 1989 2087 2055 2225 2300 2101 2219 1850 3037 3830 2619 2151 1747 2031 1404 1236 1 1 1548 1443 1 1071 1577 1 1279 1 2479 2452 2227 2102 2794 2083 1 1 4251 3891 3328 2898 1509 1570 1822 1 2973 3251 2348 2398 1470 1421 1608 1269 1 2457 1 1431 1 1 429.2558 *429.256* 429.256@5.143897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2679 2387 1 1 1 1 1 1 1 1 1 1 429.256 *429.2583* 429.2583@5.030884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3183 2939 1 1 1 1 1 1 1 1 1 1 429.2583 *429.2707* C19 H39 N7 S2 4594 3965 4325 3720 3888 3490 4499 4440 4129 4594 3679 3542 3838 3841 3370 3625 3500 3772 3982 3601 4257 4013 3315 3937 3334 4708 2722 2756 4161 3372 2897 3653 3327 3684 3499 3005 4072 3442 3754 3372 3593 4751 3418 4309 3269 3288 3383 3370 3153 2604 3209 3054 2975 3483 3535 2555 3363 3285 3047 3008 3157 2892 2554 2835 2618 2321 2707 2427 2469 2259 2760 2242 2131 2135 2696 2557 2592 2226 2657 2961 3234 2662 2373 2795 1956 2367 2897 2316 2560 3135 429.2707 *429.3808* 429.3808@13.0691 1 1 1 1 1 1 2270 1 1 1 1 1 1 1 1 1 1 1 1 1827 1 1 1 1 1 1 1 1 1 1 1 1118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3009 2312 1 1 1 1 1 1112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1759 1 1 1 1 1 1 1 1 1 1 1 429.3808 *429.3815* C25 H51 N O4 8385 9940 9162 9481 8961 9092 6775 10017 9051 9494 9887 9637 9674 10104 8003 9337 9250 8810 9041 8164 8765 8521 9064 8507 9518 9941 7539 9812 9533 9126 9634 8929 10013 8337 8513 9341 7858 9575 8717 9677 9196 9838 7069 10481 9998 8887 9204 9738 8271 9492 9253 6394 7044 9423 8507 9098 8529 8214 8247 9171 8473 9414 9157 8851 8928 9471 8595 9223 9856 9726 8474 9166 9686 9047 9386 9572 8655 8206 7957 10285 9661 9146 7197 9538 9795 9498 9027 9722 8431 9464 429.3815 *429.7585* 429.7585@5.6698284 1 1 1 1377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1286 1 1153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 429.7585 *429.9008* 429.9008@0.8469379 1 1 1 1 1 1 1 1 1212 1 1 1006 1 1 1 1 1 1 1 1 1 1 1161 1200 1176 1 1 1 1 1 1 1 1 1 1 1 1029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1055 1 1 1 1 1223 1 1 1092 1 1273 1348 1 1 1162 1 1 1094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1105 1 1 1 1 1 1234 429.9008 *429.9052* 429.9052@0.8439804 1 1 1 1 1 1 1073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 429.9052 *429.9071* C12 H2 N2 O12 S2 9173 9310 8099 7426 8367 9181 8445 9192 8247 7910 9885 8850 7791 9227 8944 8355 8919 8964 9370 9673 7965 9770 7800 7532 7445 8808 9081 8105 8705 9492 7519 7933 8052 8228 7358 6394 6594 7342 8391 7123 7674 8027 7355 9043 8067 7810 8207 8335 6762 7929 8950 7163 7838 6958 8581 9427 8252 9330 7745 6914 6882 7822 7725 1 8628 8174 7166 7637 7379 7697 8067 8657 8977 8840 8506 6644 8376 7777 8439 8988 8215 8063 7213 7133 7427 7672 8200 8070 8728 7797 429.9071 *430.1744* 430.1744@13.611356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1455 1 1 1 1 1 1 1 1 1 1 1 1604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1165 1 1 1326 1 1 1 1 1 1 430.1744 *430.2543* 430.2543@3.9869766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.2543 *430.2545* 430.2545@3.0530381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2720 2085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.2545 *431.1187* 431.1187@0.911994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.1187 *431.1945* 431.1945@6.0654864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1996 1840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3044 3631 431.1945 *431.1952* 431.1952@1.2420468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3860 2171 1 1 1 1 1 1 1 1 1 1 431.1952 *431.2322* 431.2322@9.337666 1 1 4632 1 1 1 1 1 1 1 1 1 1 1 1 1161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1240 1026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.2322 *431.2411* 431.2411@10.0572815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1056 1 1 1 1 1 1 1 1371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.2411 *431.252* 431.252@4.42908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1271 1458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.252 *431.2727* 431.2727@4.3970904 1 1 2031 1724 1 1 1 1 1 1 1188 1 1 1 1 1 1 1 1 1 1 1 1 1 110232 1121 1 1 1 1 1491 1564 1 1 90090 89229 1092 1053 1 1 1 1 1384 1535 1299 1412 1 1 1 1 1 1 1 80425 1 1 1 62690 56353 57699 1222 1 67446 1 1 78480 45597 1 2374 2317 1386 1456 61588 1 1 63282 109112 1068 1504 1443 1 64178 1 1 1 76195 1 1 1 1 431.2727 *431.2735* 431.2735@4.678951 1705 1 1 1 1 1 1 1 1265 1 1 1 1 1 1 1 1 9195 1958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1260 100055 103240 1 1 1706 1 1 1 1 1 1 1 1 1 1 3370 2002 1 6081 1 1 1 1 1 1 1 1 1 1 1 3892 1 29496 1 1 1 1 1 1 1 1 1 1 1 1675 1 1 1 1 1 2566 1 1 1 431.2735 *431.274* 431.274@4.7367473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1125 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.274 *431.2989* 431.2989@12.85478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1210 1 1 1 1 431.2989 *431.3168* 431.3168@13.291611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.3168 *431.881* 431.881@4.6116405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.881 *431.9239* 431.9239@0.79851717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.9239 *432.1138* 432.1138@0.90584594 2531 2360 1 1 1719 1907 1 1 1133 1883 1 1 1257 1432 1 1 1 1 1 1 1 1 4525 4407 1 1 1 2548 1212 1 1 1 1 1 1 1 1 1 1 1 1008 1 1 1 1 1 1001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.1138 *432.1924* 432.1924@1.2480471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1079 1 1 1 1 1 1 1 1 1 1 432.1924 *432.2323* C29 H28 N4 1 1 1467 1513 1 1 1210 1 1 1 1297 1406 1 1061 1 1 1 1 2847 2468 1 1 1 1 4114 4467 1 1 1 1 10355 10250 1 1 1 1074 1 1 1685 1626 1 1 1847 1816 3815 4167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5566 5689 1 1122 1896 1578 1 1 10516 10672 3881 3743 1 1 1 1 3230 2916 1 1 1 1 1 1 1236 1271 1 1 1 1 432.2323 *432.2486* 432.2486@3.0829022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.2486 *433.1306* 433.1306@2.953172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 433.1306 *433.1492* 433.1492@3.7704902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1363 1258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1073 1204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 433.1492 *433.1812* C33 H23 N + 5.79576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2234 1 1 1 1 1 1 1 1 1 1 1423 1743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1492 1 1053 1833 1 1722 1932 1744 2262 1521 1498 2253 2177 1948 1566 1 1583 1972 1079 1521 1947 1946 1911 2069 2307 1 1 1492 1 1 1945 1544 2287 1848 1864 2432 2764 1771 1137 1072 2878 2375 2151 433.1812 *433.1818* C33 H23 N 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1672 1 1 2174 1 2790 1 1 2072 2281 1209 2458 2440 1 1 2426 1981 1779 1 2063 1595 2434 2280 2962 2713 3261 2278 1 1 2741 2681 2024 2807 2152 2695 2735 2902 2518 3535 3659 3187 2345 2200 3475 3305 2614 2853 2660 3671 3528 2699 2302 3131 3077 3372 4077 4311 2506 2139 3088 2861 2552 1 3453 3913 3477 3497 3137 3190 2995 2254 3635 1 1134 2778 433.1818 *433.1822* 433.1822@5.6752877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2926 1 433.1822 *433.2079* 433.2079@3.8450785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1846 1944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 433.2079 *433.3181* 433.3181@13.807216 1 10250 1 1 1 1 1 1 10177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4029 1 1 1 1 1 1 1 1359 1 1 1 1 1 1 1 1 1 1 1 1 1 1253 1 1 1 1 1 1 2094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1380 1 1 1 1 1 1 433.3181 *433.8896* C9 H13 Cl3 O7 S3 2497 1 1 1 2705 2653 1 2558 1099 2614 1 1934 2190 2197 1 2135 2477 2544 2266 2209 2179 2563 2284 2448 1 2478 1 2159 2414 2351 2437 2643 3801 2341 2529 2738 2761 2159 2108 1 2047 2172 2588 2663 2284 1 2735 2850 2653 2701 2666 2379 2676 2395 1 1 1 2170 2356 2423 2771 1 2010 2552 2600 2051 2278 2249 2101 2135 1984 2203 2370 2724 1 2271 1 2432 2137 2179 2124 2236 2385 2499 2016 2028 2395 2038 2514 2227 433.8896 *433.8941* C11 H8 Cl2 O10 S2 4354 4235 3918 3628 4069 4099 4312 4126 4164 4068 4199 4570 4186 4351 4674 4554 4314 4023 4382 4145 4473 4010 4275 4010 3759 4358 4004 3894 4143 3862 3829 4057 2215 3869 4060 4090 3714 3535 3555 4796 4137 4214 3837 3992 3658 4187 4101 4366 3664 3649 3981 3699 3876 4053 3759 3927 4173 3586 3864 3758 3638 4304 3961 3628 4079 4010 3739 3989 3632 4041 4136 3819 3677 3651 4013 3634 3842 3653 3615 3754 4254 3893 4016 3460 4077 3548 3694 3907 4048 3945 433.8941 *433.9413* 433.9413@6.3101773 1 1 2457 2390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1233 1 1 1 1 1391 1 1 1 1 1 1 1 1 1 1 1 1 1 1197 1263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1319 1657 1323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 433.9413 *434.1034* 434.1034@0.89798963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1173 1237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.1034 *434.128* 434.128@3.1367416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1165 1094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1033 1 1 1 1 1 1 1 1 1051 1 1 1 1 1 1 1 1401 1459 434.128 *434.1933* 434.1933@4.5721736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 68053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.1933 *434.2071* C18 H35 Cl N6 S2 2493 2881 3580 3345 2493 2129 2451 2295 1854 2053 1850 2365 4025 3451 6452 6520 2225 1994 4607 4195 2233 2194 1657 1854 5514 5329 3507 3649 2654 3251 13327 15319 8792 6528 7409 7577 7235 7482 5636 5434 6588 6931 2312 3020 7259 6708 10083 9401 5461 4959 6534 6610 6547 7227 8564 7756 7340 7760 6963 7437 15451 15602 6218 5982 14470 15541 7699 7593 5631 5403 5672 4875 7722 8086 6206 6532 7570 7177 4863 4826 3705 3914 6254 6521 2476 2472 3602 3200 11775 12182 434.2071 *434.2288* Tyr Pro Arg 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1405 1177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2435 3457 1515 1297 2047 1632 1762 1873 1054 1 1 1 1 1 1 1530 2363 1799 1 1 1 1 2748 1972 1783 1878 1101 1332 1618 1561 2625 3308 1444 1 3745 3351 1255 1122 1 1 1181 1228 1297 1410 1332 1 2209 2089 1 1 1 1 1316 1431 1 1 1 1 3464 2836 434.2288 *434.2778* 434.2778@6.316719 1 1 1583 1688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.2778 *434.2811* 434.2811@13.617929 1 1 4426 1 1 1 5111 5836 1 2916 1 4038 1 1 1 1 1 4266 1 4479 5567 1 1 2751 1 1 4811 1 1 1 1 4918 1 1891 1 1 1 3098 1 1 1 1 1 4827 1 1 1 1 1 1 1 1 1 1 1 3073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1342 1 1 1 1 1 1 1 434.2811 *434.2836* (5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 3-oxide / (5Z)-(3S)-1alpha,25-dihydroxy-3-deo 6001 8882 1 7307 8316 3312 1661 1705 6000 1224 7132 3587 5988 5394 6761 5830 6234 1 6417 1 2079 7628 5954 1 7746 7242 1 5858 8971 5516 5388 1 5550 1 5394 3654 6721 1 8720 4244 7166 9326 3140 1 6175 2575 4720 4557 1897 2079 3541 3278 2972 1723 2870 1 3638 4387 1 2872 3757 2144 5182 2783 2009 4126 1595 1905 1485 2522 1774 3485 1 1887 3881 4093 3322 2633 1635 2303 1633 4121 1 6061 1 1 1 3618 4114 2937 434.2836 *434.2884* 434.2884@11.118706 1 1 1 5505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38420 38732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.2884 *434.2911* 434.2911@13.398069 1 1 1 1 1 1 1 1 1 1 1519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.2911 *434.297* 434.297@13.430898 1913 1 1 1 1333 1854 1 1 1 1 1 1 1484 1 1 1621 2788 1 1 1 1 1145 1 1 1 1 1 1 1 1 1 1 1 1 1304 1 1 1224 1 1 2978 1 1 1 1142 1 1 1 1275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6383 1 1 1 434.297 *434.3008* (24S)-1alpha,24,25-trihydroxy-22-oxavitamin D3 / (24S)-1alpha,24,25-trihydroxy-22-oxacholecalciferol 2336 1 4154 1 1 3297 2814 2835 2876 5516 1 1 2895 3084 2201 2704 1 2830 1 2464 2551 1 3356 2311 1 1 3332 3068 1 2165 3028 3203 2638 3304 2761 2328 1 1 1 2383 1 1 2964 2779 2248 2274 2886 1 1 5409 3607 1 1 4262 1 3926 1 1 5166 1 1 1 1 1 1 1 1 1 4549 3459 4197 1 6467 1 1 1 4202 3631 4671 1 1 1 4766 1 6353 4906 1 1 1 3092 434.3008 *434.3104* 434.3104@13.660858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.3104 *434.313* 434.313@13.7248535 1 1 1 1835 1 1 1 1 1 1 1375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.313 *434.6304* 434.6304@4.5301495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.6304 *434.7532* 434.7532@4.529149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.7532 *434.9491* 434.9491@4.5241694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.9491 *435.2882* 435.2882@13.629866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1250 1 1 1 1 1 1 1 1 1 1 1 1 1 1559 1 1 1 1 1315 1 1 1 1 1 1 1 1 1 1105 1246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.2882 *435.3011* 435.3011@11.917229 1 1 1 1 1 1 1708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1143 1 1480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.3011 *435.3024* C25 H42 Cl N3 O 2261 2609 1 2952 3248 3131 1245 2464 2960 2484 2880 3065 3682 3272 3133 3002 3153 2974 3022 2864 2441 3056 3140 3049 2950 3038 3140 3116 2912 2717 3113 2793 2806 2570 2477 3266 3023 2860 1698 1 1184 2670 2814 2970 1 2769 3133 2528 2031 2022 2871 2453 1 1879 2588 2599 1 2698 2844 2860 2066 2473 2504 2157 2607 2687 2513 1 1 2471 1 2277 1771 1 2313 2584 2370 1 1 2397 1 2001 1 2269 1 2131 2570 2300 1855 2378 435.3024 *435.4397* 435.4397@4.5281696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.4397 *435.7674* 435.7674@5.7506304 1 2943 21075 21244 1 7563 5772 1 6211 5100 1 1 8171 1 1 1 1 1 1 1 1 1 1 1 11598 11294 1 1 1 4061 15189 15700 1 1 1 1 1 6689 1 1 1 1 1 1 15132 12555 4925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5223 1 1 1 1 1 1 14807 13607 12409 11888 1 1 1 1 10489 1 1 1 1 1 1 1 1 1 1 1 1 1 435.7674 *435.8048* 435.8048@11.927785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.8048 *435.8348* 435.8348@4.528149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.8348 *435.8794* C7 H11 Cl3 N2 O7 S3 1740 2015 1373 1263 1925 2037 2342 2177 1951 1812 1705 1706 1348 1680 1744 1798 1693 1857 1306 1891 1734 2058 1731 1881 1793 1548 1947 1509 1371 1893 2026 2130 1450 1550 1933 1767 1703 1717 1782 1460 1 1675 1829 1 1 1374 2150 1927 1673 1968 2027 1772 1620 1466 2176 1684 1986 1568 1464 1777 1583 1281 1174 1760 1746 1493 1670 1679 1388 1538 1270 1608 2115 2070 1672 1677 1516 1704 1640 1 1 1877 1757 1632 1276 1473 1719 1508 1833 1906 435.8794 *435.8843* 435.8843@0.8780094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.8843 *435.8917* 435.8917@0.81698316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.8917 *435.8972* 435.8972@0.8142112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1491 1 1 1 1 1 1532 1 1 1 1 1 1 1265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1055 1 1 1 1 1 1 1 1 1390 1 1 1 1 1 1 1 1 1 1 435.8972 *435.9357* 435.9357@0.8039989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.9357 *435.9426* 435.9426@0.8020057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.9426 *435.985* 435.985@4.5281696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.985 *436.1851* C22 H32 N2 O3 S2 3774 3267 4948 1 1 11954 4106 1 22490 1 4246 1 3006 1 5536 5724 4981 2124 6421 32238 1 4264 4660 4796 3504 1 4845 5033 1 1 4713 1947 1 4178 3468 1 3444 1 1 1 1 1 1859 1545 3348 3679 4727 3083 2801 1 3972 5267 5391 2903 4119 3784 2308 1 14651 2891 5811 1 1 1 3191 1 2386 2824 1 2641 2079 1 4826 2036 2255 1 1 2300 1864 2354 1536 1473 2456 1 1601 1 1 1 1 4886 436.1851 *436.1854* 436.1854@10.157695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.1854 *436.1861* C23 H20 N10 + 9.906147 25129 4784 9769 3722 20148 2326 1 1 4962 1 5392 1 1155 7336 2175 8415 2791 2121 2838 2130 2642 1 4753 3316 2074 4975 1 1760 6758 1 5686 5841 17491 1 3911 9063 4014 1 6591 7263 1 8698 1874 5135 2222 5221 1 2514 5925 7776 3265 1 1738 2248 4573 4365 5050 1 13561 13390 1 1 4641 4399 6566 7623 1 7361 4711 1 1 1 2061 6376 1 4003 5038 4303 1 1 1 1585 1 1473 3915 3023 2387 1 7330 4521 436.1861 *436.1863* C23 H20 N10 5607 1 1 1 4638 4251 5235 1 4910 1 1 1 1 1 1 1 5002 1 1 1 1 5818 4869 1 1 1 1 5576 1 1 1 1 1 1 5187 5117 2526 4344 3364 2803 1 3703 1945 4184 1 1 1 1 1 3365 4932 1 5003 4821 1 5698 3390 1 1 1 4275 1 2709 2665 2848 2327 1 1 2121 1 1 1813 3776 1 3981 1877 2811 1 4265 1 3863 3566 1 3175 1446 1421 1210 1296 1 6387 436.1863 *436.1864* 436.1864@10.170648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2064 1 1 1 1601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.1864 *436.187* C30 H28 O S 4207 4958 12108 18372 5451 4934 1894 1 2257 1 1520 9032 3116 2620 1 1 3335 1 4315 3423 2005 1 2175 1721 5060 1 1412 2906 13612 1 3256 6302 1 1 3737 3723 3562 1 1 2245 2968 14141 1943 1 1559 1155 1 1691 2127 1 1522 2071 3783 2352 2221 3998 3154 1 3957 16112 1 8028 2083 2603 7029 1559 1 1 7799 1 3514 1 1812 1 1 1995 1 2084 1 1 1 3025 1 3672 3812 1698 1 2149 10440 4830 436.187 *436.187* C30 H28 O S + 10.235276 2774 6515 4655 1996 1993 3639 1161 1604 3784 1335 1537 1551 2045 1069 1872 1937 2840 1676 1119 1918 1801 1747 4600 1175 2488 1606 1570 12635 2836 1967 4296 2210 2941 2283 2315 2372 1928 1851 1 1932 2792 1576 8116 1 1299 1074 1264 1441 1787 1 1224 1219 2382 11778 1782 1079 8318 1648 3105 1765 1325 1126 1352 1195 1510 1 5577 1 7930 5246 2673 1 6190 1 1 1 1 1 5168 4140 1 1 1018 1 5053 5268 1 4103 1078 9138 436.187 *436.1872* 436.1872@10.448142 1886 1675 1888 1 1321 1199 1 1 1498 1 1 1 1 1 1 1 1655 1 2481 1 2343 1 1427 1 1966 1 1 1785 1442 1 2026 1 1 1 1081 1199 1 1 1 1 1 1170 1 1 1 1 1 1 1 1 1 1 1448 1346 1333 1 1 1 1658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.1872 *436.2197* 436.2197@4.5991535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.2197 *436.2652* 436.2652@5.7558618 1 1 1098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.2652 *436.2815* 436.2815@13.347169 1 1 1 2039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.2815 *436.284* 436.284@13.337015 1 1 1 1369 1 1 3533 1 2709 1 1528 1 1 1 1 1 1 1 1 1 1 1 2075 1 1 1 1 1 1 1 1785 1 1 1 2741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1148 2614 1701 1 1 1 1 2305 1 1 1 1 2516 1 1 1 1 1 1161 1 1 1 1698 1 1 1 1 1 1634 1 2228 1 1 1 1 1 1 1 1 436.284 *436.3069* 436.3069@11.076063 1 1246 1 1548 1 1301 1341 1571 1593 1580 1222 1575 1650 1088 1406 1517 1688 1557 1487 1719 1657 1598 1542 1651 1750 1726 1579 1507 1291 1508 1483 1 2068 1421 1671 1366 1681 1367 1574 1439 1521 1563 1721 1592 1693 1338 1207 1650 1431 1461 1970 1538 1254 1682 1324 1644 1541 1341 1563 1467 1413 1388 1433 1532 1 1497 1506 1391 1650 1 1494 1596 1 1565 1375 1636 1273 1377 1136 1552 1 1983 1278 1418 1312 1275 1664 1447 1695 1156 436.3069 *436.466* 436.466@4.5251694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.466 *437.1497* 437.1497@0.9180025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1375 1247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 437.1497 *437.1758* 437.1758@2.9883769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1408 1484 1 1 1 1 1 1 1 1 1 1 1478 1318 1 1 1470 1263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1385 1196 1 1 1 1 1 1 1 1 1 1 3551 3339 1 1 1 1 437.1758 *437.1884* 437.1884@9.715888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 437.1884 *437.1895* 437.1895@9.857155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1317 1 1 1 1 1 1298 1 1 1 1 1 1 1 1 1 1 1 1849 1 1 1 1 1 2121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 437.1895 *437.1906* 437.1906@9.9134035 1 1 6592 1 1 1 1 1516 1289 1 1 1 3590 1 1 1 1 1814 1 1361 1 1 1 3897 1 1411 1 1076 1 3061 1 1 1 1 1 1 1 1 1 1 1 2700 1 1 1 1 1 5449 1 1 1 1 1 1 1 4802 1 3425 1 2138 1 1 2670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3517 437.1906 *437.335* 437.335@11.979066 1743 1937 2080 1966 1 2129 1457 2264 2067 1808 1783 1781 1708 1753 1686 2021 2073 1582 1527 2511 1909 2028 1976 1 1833 1580 2404 2095 1982 2204 2177 1817 1539 2195 1850 2049 2170 1859 2317 2350 2092 1716 1591 1702 2179 1381 2056 1630 1993 2277 1737 1652 2225 2141 2156 1482 1765 1765 1786 1240 1322 1680 1258 1 1328 1661 1795 1441 1988 2121 1 1094 1770 1 1379 1369 1304 1438 1961 1468 1718 1410 1600 1838 1328 1591 1 1905 1257 1694 437.335 *437.3501* 437.3501@13.670652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1268 1 1 1 1 1 1 1 1 1 1 1 1 437.3501 *437.3694* 437.3694@13.32731 1 1 1521 1548 1685 1 1693 1727 1601 1873 1 1738 2027 1 1318 1488 1751 1763 1705 1 1759 1463 1822 1541 1775 1493 1 1626 2480 1558 1172 1 1471 1700 1849 1618 1 1374 1 1810 1701 1457 1746 1 1 1 1 1392 1 1232 1458 1 1 1 1247 1 1277 1095 1479 1 1 1836 1 1415 1 1591 1394 1257 1718 1486 1 1367 1 1 1 1 1168 1 1568 1 1 1 1 1 1153 1 1 1356 1 1 437.3694 *437.4934* 437.4934@13.750671 1 1 1 1 1 1 1 1 1 1 1 1 2606 1 1204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1543 1 1 1 1 1 1 1 1 437.4934 *437.7205* 437.7205@0.8416596 4870 5577 5260 4924 4831 5782 4796 4839 5070 4836 5043 5036 5569 5423 4999 5302 5188 4733 4986 4549 5100 4753 5303 5182 4521 4698 5630 5189 4634 4852 4908 5174 4967 5027 4898 5065 5337 4742 5617 4994 5011 4652 5066 4534 4834 4859 4782 5271 5361 5712 5235 5289 5332 5325 5233 4603 4790 4805 5300 5267 4945 4554 4862 4834 4797 4492 5054 5103 4196 4620 4871 4805 4585 4544 4883 4913 4848 4598 5163 5239 4738 4963 5127 5193 4866 4642 4385 5002 4787 4906 437.7205 *437.8734* 437.8734@0.8809968 1 1 1 1 1208 1345 1040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1378 1 1 1 1 1 1215 1228 1 1 1 1 1187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 437.8734 *437.8903* 437.8903@0.81199235 1 1 1729 1 1 1 1221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1210 1 1 1 1236 1 1 1 1 1 1714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 437.8903 *437.8986* C11 H9 Cl3 O10 S 1 1 1 1766 1685 1398 1 1 1 1674 1 1 1 1 1458 1486 1 1 1538 1 1 1646 1 1207 1 1 1 1230 1 1 1829 1836 1 1 1 1533 1516 1917 1581 1 1 1405 1 1279 1716 1263 1 1 1436 1 1 1 1 1 1 1 1 1403 1 1 1 1 1712 1 1 1598 1 1633 1395 1554 1496 1592 1 1 1 1 1367 1 1 1577 1 1186 1 1 1769 1 1 1 1 1 437.8986 *438.1434* 438.1434@10.672658 1 1 1 1 1 1 1 2064 1 1 1 1 1 1 1 1579 1 1 1702 1 1 1 1807 1 1 1394 1066 1 1 1 1 1 1 1 1 1800 2108 1 1 1 1 1 1 1 1 1 2451 1644 1 1618 1727 1341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.1434 *438.1704* 438.1704@2.2076619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2755 3956 1 1 1 1 1 1 1 1 1 1 1 1 5912 6497 1 1 438.1704 *438.1707* 438.1707@2.2435086 1 1 1 1 1 1 1 1 1 1 1 1 2005 3684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2251 1 2102 2363 2369 2933 11121 7830 6553 7026 1 1 1 1 2022 1 1 1 1 1 1 1 1 1 1 1 1 1 2602 1 1 1 1 1 4242 3947 1 1 1 1 5080 4186 1 1 1 1 1 1 1 1 4108 3767 1 1 11973 12067 1 1 438.1707 *438.2604* C24 H38 O7 1 1799 1627 1835 2020 2197 1881 1611 1835 1 1848 1845 1641 1883 1835 1872 1802 2025 1611 1655 1765 1839 1814 1701 1748 1847 1573 1414 1691 1544 1638 1609 1686 1878 1572 1766 1629 1701 1788 1496 1 1682 1760 1604 1729 1937 1851 1496 1471 1458 1529 1455 1603 1384 1 1475 1442 1344 1376 1445 1173 1 1687 1 1094 1 1494 1235 1341 1 1 1371 1 1 1 1 1206 1 1 1353 1 1 1202 1 1243 1 1102 1 1262 1058 438.2604 *438.3419* 438.3419@13.461423 1 1 1 1 1 1385 1 1 1 1 1 1 1 1 1 1 1 1 1 1747 1 1575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1261 1 2428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.3419 *439.2207* 439.2207@4.0019712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26552 25990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 439.2207 *439.7184* 439.7184@0.84118193 9744 9066 9180 9262 9292 9688 8710 9213 9131 9403 8394 8633 10130 9654 9788 9247 9569 9460 8616 8923 8811 9310 9559 9679 8997 9367 9088 9382 8918 9185 8855 8860 9909 9736 9351 9071 9507 9955 10523 8918 8939 9128 9436 9765 8952 9303 9142 8697 10249 10039 9081 9353 9407 9688 8896 8842 9369 9160 9992 9527 8970 9277 8716 9076 8946 8946 9226 9269 8595 8944 8845 9011 8725 8643 8977 9526 9048 9055 9136 9143 8515 8951 10296 9492 8670 9204 8509 8832 8779 8941 439.7184 *439.8702* 439.8702@0.8190043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 439.8702 *440.0204* 440.0204@0.8260168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.0204 *440.0676* C11 H21 Cl N2 O14 10719 11457 10152 10309 20160 19149 19951 19639 11476 11356 11797 11147 10578 10699 10373 9561 12767 12019 8765 9497 1 1 11077 10890 12430 12016 12418 11189 10241 10258 13584 13437 8444 8620 13704 13461 10620 11075 10366 10362 10982 10815 12424 13343 13306 12656 18377 18434 11636 11478 13007 13089 13659 13304 14358 11220 13418 13456 12467 12701 13146 13091 8674 8165 12380 11671 12278 11790 9344 9680 9021 1 18364 18282 10943 10229 10029 10192 9413 9838 10437 10599 12854 12985 8379 8602 8814 8970 14516 15449 440.0676 *440.1516* 440.1516@2.9807618 1 1101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1312 1348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1150 440.1516 *440.2046* 440.2046@10.251187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1278 1469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.2046 *440.2582* C28 H40 S2 7553 7513 7502 7164 6462 7215 8120 6995 9434 7860 6118 8333 6758 7885 7136 6818 6795 7000 6894 7079 7790 7529 7148 7160 7032 8090 6769 7578 6911 6924 6236 6515 7509 7275 6942 6966 7674 7002 6941 5741 6942 6580 6321 6834 7324 5208 6170 6371 7031 6359 5903 6179 5977 6024 6358 5493 6529 4942 5771 4593 4471 6259 5408 5775 6394 6444 7287 5727 4900 6062 5139 5286 5988 4389 5146 6790 5483 4762 4875 6142 6182 5789 5597 5924 6266 5291 6240 6556 5477 5856 440.2582 *440.2895* 440.2895@14.334425 1 1 1 5179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2392 1 1 1 1 1 1 1 1 1 2276 1 1 1 1 1 1 1 1495 2396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4854 1 1 1 1 1 1 1 1 1 1 1 2043 1 1 1 1 1 440.2895 *440.2909* C24 H36 N6 O2 1 1 2711 2493 1 1 4654 4577 3447 4706 1 1 1 1 1 4917 1 1 1 1 1 1195 1 1 2130 1 1 3526 1 1 1 2207 1001 5722 3500 2534 3029 1 2066 1 1 3843 1428 4635 1 1 1 1 1 1 1 1 1 1 1 2274 1015 1450 1 1 4568 1 1 2037 1 1 1 2983 1 1 1 2960 2206 4662 4654 1 1 1 1 1 1 1 1 1 1350 2572 1 1 1553 4801 440.2909 *440.2914* 440.2914@14.183785 1 1 1 2805 1 1 1 1 1 1 1 1 1 1 1 4634 1 1 1 1 1 2715 1 1 2006 1 1 1 1 1 1 1 4124 2569 3046 3026 1 1 3487 1 1 1 1318 3504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2440 1 1 1 1 1 1 1 1 1899 1 1 1 1 1 1 1 1 1 1 1 4718 1 1 1 2058 1 440.2914 *440.2923* 440.2923@13.954 1 1 1 2115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.2923 *440.3085* 440.3085@12.004006 1961 1 2726 1 1 1 1 1999 1 1996 1 1 1 1 1 2882 1 1 2884 2517 1774 1 1 2105 2089 1 2627 2608 2589 2659 2133 1 1 2485 2188 2252 2086 1803 1 1 1776 1 1 1 1 1 1 1 1756 1969 1 1993 1 1 1 1 1 2282 1 1 1 1 1 1173 1 1744 1 1 1 1 1 1771 1 1985 1159 1 1 1 1 1 1 1 1 1884 1440 1 1 1 1 1 440.3085 *440.3172* 440.3172@3.6863751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.3172 *440.3174* C31 H40 N2 1 2254 2893 1 2199 1 1 3429 1481 3097 1997 1366 1 1227 2244 2752 2368 1453 1 2711 1843 2260 2293 3221 2083 1 2526 3042 1534 2442 2676 1295 1883 2479 1 2126 1 2551 1830 2841 2579 1143 1 1 1316 1843 1 2102 1685 1 1 2483 1 2094 1 1964 1 1564 1885 1872 1 1 1170 1692 1747 1 2415 1 1 1 1 1 1888 1915 1566 1 1 1441 1140 1 1506 1828 1 1 1 1807 1 1 1 1 440.3174 *440.7799* 440.7799@4.7772837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1294 1709 1 1 1 1 1 1 1617 1323 440.7799 *440.7814* 440.7814@4.9216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1050 1141 1 1 1 1395 1 1 1 1 1 1 1 1 1 1 1 1603 1 1 1 1 1 1 1732 1995 440.7814 *441.1909* 441.1909@4.959739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1701 1777 1 1 1 1 441.1909 *441.3434* 441.3434@12.278993 1 1 1 1 3886 1 1 1 1 1 1 1 1 2543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5206 1 1 1 3720 1 1 1 1 1 1218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 441.3434 *441.3442* 441.3442@12.462599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19818 1 1 1 1 1 1 1 1 2092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 441.3442 *441.3449* 441.3449@12.490652 15782 1 1 1 16658 1 1 1 1 1 19077 1 1 18276 18970 17549 1 1 1 1 1 16877 19470 15188 1 1 1 1 1 17433 18624 17734 19777 1 1 17246 1 18532 1 1 1 1 18639 18942 1 19629 1 1 22049 19350 21046 1 18042 19233 1 20981 13347 1 1 18967 18262 18034 1 19800 18171 19161 1 1 1 1 18974 1 1 1 21961 16828 1 1 1 1 19564 1 1 15436 1 1 1 1 20031 1 441.3449 *441.3452* C26 H51 N S2 15386 15015 15693 17572 1 16188 15247 15502 16456 15613 13660 17230 14314 1 15315 15555 16151 13094 14448 15719 16923 15282 16888 1834 16181 16175 16116 18288 14349 17353 16673 17365 17222 17707 14908 15584 17561 16475 15624 17589 15895 16425 14310 17747 17762 17970 16030 17279 17491 2212 1 18674 15027 16284 17822 16525 1873 18254 16012 17217 16168 15520 15672 16593 16973 1592 17045 13086 17381 15905 16396 3316 18419 16911 18917 1 16163 17927 14761 17510 16170 3406 17348 16507 15969 17453 17590 17513 17098 17013 441.3452 *441.3452* C26 H51 N S2 + 12.490199 1 16025 15516 15575 1 18316 16105 19467 17250 16255 1 17513 17233 1 1 1 17687 15671 16589 16844 18444 1 1 1 19044 16817 20347 17242 15004 1 1 1 1 17881 17191 1 17158 1 19083 17592 18486 17604 1 1 17797 1 1 1 1 1 1 18578 1 1 18470 1 1286 20706 20199 1 1 1 17531 1 1 1 19742 19931 21026 16277 1 19576 21476 19838 1 1 18417 18817 20652 19872 1 18791 20790 1 18608 18737 19140 19140 1 19628 441.3452 *441.7156* 441.7156@0.841204 7679 7807 7555 8113 7393 7806 7320 7219 8269 7463 7617 6936 7512 7310 7876 7320 7844 6955 6724 7400 7447 7590 7667 7872 7033 7268 7352 7431 7547 7125 7273 7481 7336 7221 7749 7755 7953 7559 8150 7567 7269 7295 7174 7019 7062 8184 7320 7101 8505 8243 7180 7692 8245 7945 7134 7008 7132 7465 7486 7896 7490 7490 6867 7761 7214 7127 7031 7101 7271 7425 7649 7813 6987 7218 7370 7740 7328 7274 7555 7302 7248 6894 7547 7412 7693 7151 6800 7025 7433 6660 441.7156 *442.0654* 442.0654@0.89800775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.0654 *442.1419* 442.1419@4.400586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2583 2435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.1419 *442.2044* 442.2044@4.58505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8010 8058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.2044 *442.3486* 442.3486@12.224642 1 1 1 1 1 1 1 1 1 1 1964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.3486 *443.1375* 443.1375@3.420397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1808 1784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 443.1375 *443.2195* C27 H29 N3 O3 2033 2315 2169 2480 1 2172 2922 2924 1 1 3186 3525 3256 3342 1 1 2333 2399 1 1 1 3205 2883 2797 2718 2673 1 3334 2895 2971 3262 3158 1 1 3575 3046 3121 3406 2945 2770 3369 1 1 1 2468 3047 1 1 3869 1 1 3086 1 1 1 1 1 3362 1 1 1 1 3168 1 1 3435 3706 3769 3478 1 1 1 4553 1 1 1 3311 1 1 1 1 3948 1 4749 1 3455 1 1 2432 1 443.2195 *443.3241* 443.3241@11.552902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2361 1 4434 1 1 1 2243 1 1 3492 1 3623 1 3568 3185 1 1 1389 1 1 1 1 1 1 1 1 1 1 1 1 1014 1 1 1 1 2690 1 1 1 1 1 1 1 1 1 1 1 1 1 1920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3021 1 443.3241 *443.3245* C24 H45 N O6 54377 57057 58346 56621 57076 56933 56909 54681 54115 55618 58049 54649 56672 58771 55263 55281 54782 54931 57075 53361 54552 54954 53912 52854 54648 57755 57079 56036 55356 57484 54876 52531 53092 59611 53435 54310 55751 53244 55673 56672 54956 54308 55432 55256 53584 42887 38307 36009 33064 34958 33117 34817 35603 34072 36613 34054 31745 35457 34073 34111 33680 32456 34547 31394 34685 35067 33286 32134 33737 33387 32656 35068 34959 33895 33389 32884 33670 34919 32115 31768 32456 32327 31871 33562 32754 33691 32857 32826 31379 33596 443.3245 *443.325* 443.325@11.530438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 443.325 *443.3509* 443.3509@13.840433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1768 1 1 1614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 443.3509 *443.3656* 443.3656@13.761001 1035 1 1 1351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 443.3656 *443.7092* 443.7092@0.8415999 3360 3228 3575 3562 3042 4244 1 4172 3928 3448 3434 3272 3663 3505 3428 3633 3775 3440 3272 3611 3624 3499 3541 3428 3294 3375 3932 3342 3573 3732 3326 3368 3582 3403 3562 3874 3637 3342 3780 3540 3384 3541 3401 3399 3257 3321 3502 3573 3769 4722 3472 3442 3833 3583 3069 3239 3746 3309 3775 3744 3116 3354 3526 3519 3515 3426 3675 3345 3193 3234 3601 3960 3364 3446 3780 3322 3330 3429 3479 3217 3315 3162 3735 3758 3303 3603 3400 3564 3564 3458 443.7092 *443.9228* C13 H4 N2 O12 S2 1 4355 4476 4348 5027 4631 4584 4808 4615 4593 5324 4765 4566 4816 6059 4399 4330 4654 4438 4939 4660 4338 4267 4065 4420 4403 4376 4080 4300 1 3959 4390 4326 4337 4015 4170 4230 4096 4819 4836 4359 4809 4673 4651 4239 4083 4282 4655 3806 4161 4555 4054 4163 4040 4570 5000 4688 4580 3953 3750 4295 4218 4237 1 4842 3992 4033 4110 4030 4199 3802 4052 4604 4213 4206 4130 4036 4131 4180 4443 1 4387 4312 3933 4134 4083 4544 5045 4344 4645 443.9228 *444.1531* 444.1531@5.8446317 1 1 1 1 1 1 1 1 1 1 4371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1699 8317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.1531 *444.1541* 444.1541@5.7977357 1 1 1 1 1 1 1 1 1 1 1 4326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7581 1369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.1541 *444.2812* C18 H36 N8 O5 9606 8833 45531 45858 18135 18489 15318 14742 14642 15638 14089 13322 21007 21085 8078 8638 10618 10992 15199 13860 9968 9226 8790 8816 26135 26797 16228 16633 11480 10767 33479 32760 9159 8615 10368 10403 17873 16772 13293 12770 13225 12857 18589 18317 31943 31709 13278 14657 9608 9714 5766 6761 13653 15077 6772 7016 7774 6618 6157 6031 13937 13390 11268 11070 13631 14226 4795 5698 33071 32251 27610 27831 7283 7825 7242 7059 27649 26350 16620 16126 7424 7769 6945 6700 9607 9711 7072 7490 6295 6108 444.2812 *444.2813* 444.2813@5.374545 1 1 1843 2043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1207 1 1 1 1 1359 1291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1259 1103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.2813 *444.3105* 444.3105@13.311461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4175 1 1 1 4563 1 3903 1 1 1 1 1 1 4123 1 1 4124 3603 1 1 1 1 3429 3918 1 1 1 1 1 1 1 3567 1 1 3938 1 1 1 1 1 1 3766 3419 444.3105 *444.3223* 444.3223@11.486779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.3223 *444.7633* 444.7633@6.9017487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1520 1642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1621 1256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.7633 *444.7836* C10 H Cl2 N O5 S5 3232 3424 18462 18256 6832 7153 5785 5493 5414 5029 5446 4790 8123 7660 3236 3110 4192 3504 5185 5747 3662 3477 3596 3392 11020 10936 6024 6437 4396 4031 13242 13570 3432 2915 3568 4269 6217 5403 4530 4969 4972 5099 6739 7065 13489 12231 5117 5356 4255 3429 2350 2406 5184 5269 2191 2804 2470 2592 2356 2196 5077 4585 4244 4086 5183 5359 2388 1997 12775 13234 10645 10796 2577 2689 2664 3071 11228 10297 6751 6844 2394 2427 2478 2280 3096 3701 2651 2829 1902 2360 444.7836 *445.2522* C16 H35 N11 S2 6383 5957 9654 9382 7852 8074 7185 7367 6642 6588 6996 8396 31826 31636 5173 5816 1 1 9841 9944 6466 5951 5505 5817 6988 6458 8586 8235 15956 15035 6830 7305 4617 4434 6085 6163 6575 6080 5591 5715 5828 5647 10421 10472 9303 8159 6436 6226 5170 4876 4133 3627 4769 4633 3556 3469 4509 4881 3739 4223 21390 21216 5357 5189 5236 5090 2510 3440 6666 7394 7379 7946 4425 4318 3684 3967 6241 6651 23868 3089 5031 5228 3658 4094 5267 5709 3849 3815 11268 10490 445.2522 *445.2525* 445.2525@4.5892763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21915 1 1 1 1 1 1 1 1 1 1 445.2525 *445.2896* 445.2896@5.1830673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1891 1824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.2896 *446.1267* 446.1267@3.0244565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1282 1148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.1267 *446.3415* 1alpha,25-dihydroxy-11beta-methoxyvitamin D3 / 1alpha,25-dihydroxy-11beta-methoxycholecalciferol 5312 7391 7679 7070 7355 8662 8731 6258 6528 7200 7669 7410 7067 8063 8126 7890 6434 7793 7356 7598 7001 7473 8081 7267 7075 7588 6779 6651 7358 7630 6501 8369 7311 7990 8217 6693 7771 7995 8070 7389 7765 7114 6837 7929 8918 7940 5367 6595 7225 7366 8506 9286 7141 6551 7188 7453 6698 7170 6439 6624 6427 6312 6666 5739 6784 7125 6898 7161 6778 7513 6705 6575 6350 7344 6606 6613 6623 5607 7004 6742 6685 6258 8089 7102 6564 7070 7339 6901 6642 6627 446.3415 *446.342* 446.342@14.63816 2687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.342 *446.8443* C10 H6 Cl N O7 S5 2647 2564 3310 3560 2988 3187 3238 2850 2982 2784 2470 2921 3041 2836 3270 3560 3312 3091 3180 2903 3652 3243 3604 2967 2794 3260 3031 2930 3249 3020 2446 1 3548 2767 2854 2710 2677 3591 2949 2736 2939 2873 3151 2955 3794 3019 2960 3197 2576 2568 2999 2509 2497 2604 3189 2841 2401 2928 2417 2537 2204 2762 2560 3074 2952 2821 2803 2767 3014 2419 2521 1980 2765 2861 2661 2908 2883 2410 2443 2854 2979 3053 2890 2643 2725 2597 2984 2897 1 2661 446.8443 *447.1396* 447.1396@3.004434 1 1 1 1 1264 1189 1478 1663 1 1 1 1 1 1 1 1 1108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2703 2743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6777 6227 447.1396 *447.1895* 447.1895@4.572961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4254 6533 6315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11014 10193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5962 6098 447.1895 *447.2121* 447.2121@9.573888 1 1 1 1 1 1 1 1087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1084 1 1 1 1 1 1 1 1 1 1 1 1 1406 1210 1 1094 1028 1 1350 1223 1 1 1 1 1006 1280 1142 1277 1111 1 1 1079 1086 1 1 1074 1 1188 1 1452 1213 1104 1 1 1 1 1250 1026 1147 1 1167 1 1 1 1 1 447.2121 *447.7492* 447.7492@0.8394371 6494 6805 8394 6870 6549 6871 9119 6451 6567 6910 6524 6453 6832 6668 6871 6721 6944 6900 7337 8132 6895 6900 7069 7022 6315 8293 6375 6759 6731 8938 6749 7100 6771 6732 8166 7140 7194 11022 7054 6639 6738 6272 6523 6820 7224 6653 6733 7211 7565 8524 8416 8504 7291 7271 6545 10230 8358 9740 6671 7267 6938 5894 8479 6712 6586 6261 6828 6474 6352 7955 6761 6405 6375 6585 6559 6484 6575 6730 6861 6581 6280 6639 6988 7076 6394 6625 6439 6588 6369 6628 447.7492 *447.9086* C21 H Cl O8 S 1378 1 1329 1569 1446 1 1759 1930 1900 1480 1438 1 1650 1 1617 1491 1619 1529 1 1565 1 1 1380 1544 1458 1573 1 1386 1 1651 1545 1556 1480 1429 1 1429 1194 1376 1 1271 1149 1341 1 1339 1413 1522 1385 1525 1303 1470 1 1 1448 1221 1 1647 1415 1396 1 1 1 1519 1 1329 1 1562 1229 1526 1343 1 1493 1731 1523 1420 1 1 1434 1387 1 1 1519 1 1382 1233 1217 1376 1459 1120 1 1481 447.9086 *448.0471* 448.0471@0.8993556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 1 1043 1 1 1 1 1 1 1 1 1 1 1 1163 1178 1 1 1 1 1 1 1 1 1489 1125 448.0471 *448.0579* 448.0579@0.90116924 1 1 1 1 1 1 1077 1172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1545 1216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.0579 *448.0609* 448.0609@0.9009908 1 1 1 1 1346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.0609 *448.1231* 448.1231@4.517875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4402 4686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1112 1 1 1 1 1 1 1 1 448.1231 *448.1286* 448.1286@5.23127 1 1 2577 2399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.1286 *448.1522* 448.1522@3.2815905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1786 1692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.1522 *448.194* 448.194@4.5784583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.194 *448.3023* 448.3023@11.431152 1 1 1 1 1 1 1 1 1 1354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.3023 *448.3116* 448.3116@11.430198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1622 1 1 1 1 1 1 1 2076 1 1 1 1 1585 1 1 2242 1 1 1 2245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.3116 *448.3239* 448.3239@11.38922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.3239 *448.9515* 448.9515@6.359551 1 1 1777 1783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.9515 *449.1191* 449.1191@1.2590475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1039 1 1 1 1 1 1 1 1 1 1 449.1191 *449.2843* 449.2843@13.845097 1 1 1 1 1 1 1 1 1 1 1 1499 1 1 1 1 1 1 1 1 1 1996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1538 1 1 1 1 1 1 1 1 1 1 1 1 2073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1485 1 1 1 1 1 1 1 1 1728 1 1 1 1 1 1 1 449.2843 *449.289* C28 H39 N3 S 2849 2188 1 2328 2011 2376 1 1 1 2091 1 2232 2064 1 2236 1 1 2152 1 1 1 2085 2190 1 3705 1 1848 1 1390 2329 1 1486 1 1878 1 1778 1 1 3746 2982 1 2649 1703 2459 1730 2036 1 1522 1141 1268 1 1840 1917 1917 1 1 1436 1369 3788 1637 1 1 1881 1729 1546 1 2004 1878 1 2076 2375 2025 1 2345 2815 1 2140 2037 4482 1643 2164 1527 2659 1394 1 2049 1965 2000 1 1262 449.289 *449.2926* 449.2926@13.678989 1 1 1671 1 1 1 2234 2024 1 1 2226 1 1536 1819 2859 3094 1760 1 1921 3150 1 1 1772 1587 1 1407 2424 2341 2451 1 2321 1475 1 2010 1241 1698 2028 2211 1 1 1803 2366 3374 1 2772 1 1931 1994 3491 1909 3398 1 1 1741 2168 3414 1689 1550 1 1423 2094 2186 1 1 1 1 1686 1320 1 1 1 1790 2076 1 1 1 1 1820 1 2725 1332 1 1 3970 1 1972 1 3661 1975 1995 449.2926 *449.3075* 449.3075@12.17103 1 1 1 1566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 449.3075 *449.3101* 449.3101@12.006265 1 1891 1 2338 1577 1117 1671 1 1 1 1 1559 1264 1 1 1920 1 1818 2083 1 1 1 1 1 1 1 1388 1414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1943 1 1578 1864 1 1 1801 1014 1 1 1 1 1 1 1393 1230 1 1 1 1 1 1 1156 1 1 1 1208 1 1 1 1 1 1 1 1 1178 1 1 1 1 1 1 1 1 1 1 1 1 449.3101 *449.3688* 449.3688@14.26947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1296 1 1 1 1 1 1 9140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8891 1 1 1 1 449.3688 *449.3706* C28 H51 N O S 8151 8951 8365 8575 11314 7999 9345 8969 8200 9037 10168 9461 8612 9268 8307 8853 8098 8577 8745 7575 7823 8828 1 7500 7884 7879 8643 8481 9312 8636 8945 9123 8377 8086 8939 8401 8935 9881 8642 7959 8734 7983 7609 8661 10308 8455 8541 8301 8813 9484 8412 8455 7528 7977 9235 8834 7264 8569 8065 10004 7952 8897 9057 9188 7815 7229 8278 8232 9233 8348 7756 9196 9153 8389 7806 8581 8819 7837 9037 6579 7724 8334 8916 8133 8369 1 7755 7824 8955 9642 449.3706 *449.7468* 449.7468@0.8392928 10576 11981 10535 10903 11155 10742 10056 11191 10505 10433 11308 10131 11738 10840 11830 10853 12054 10797 11787 9899 10631 10544 11210 11229 10622 10595 10775 10539 10701 10777 10603 10099 11380 11476 11873 11033 11347 10906 11780 10070 12982 10213 10923 10268 10870 10284 11067 10790 11816 11744 10906 11156 11506 11921 9904 10843 11056 11540 10969 10532 10370 10333 10281 11497 10949 9775 10480 10606 10123 10211 10087 9786 9929 9994 10204 10405 10075 10541 10989 10250 10256 11031 11648 12264 10524 10904 9590 9882 10777 10710 449.7468 *449.9436* 449.9436@0.80502194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 1 1 1 1 1 1 1 1 449.9436 *449.9583* 449.9583@0.8030108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1508 1 1 1 1 1307 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 449.9583 *449.9992* 449.9992@1.2445313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1472 1189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 449.9992 *450.0992* 450.0992@3.4038646 1 1 1 1 1 1 2205 1916 2069 1885 1 1 1 1 2076 1468 1 1 1802 1780 1 1 1 1 1 1 1256 1571 1 1 2239 2246 1 1 1 1 1500 1629 1308 1249 4982 5220 1 1 1 1 3375 3304 1 1 1 1060 4393 3784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1694 1366 1 1 1 1 1 1 2077 2006 1 1 1 1 1 1 1 1 1 1 1 1 450.0992 *450.204* 450.204@8.744989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1786 2069 1211 1 1312 1271 1389 1 1 1 1 1 1 1 1 1 1 1069 1 1 1 1 1322 1292 1147 1070 1 1 1 1 1674 1764 1 1 2342 1691 1 1 1 1 1 1 1155 1 1 1 1345 1374 1 1 1 1 1 1 1 1 1 1 1815 1970 450.204 *450.2222* 450.2222@8.472151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1345 1306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.2222 *450.3018* 450.3018@13.208677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1064 1 1 1 1 1 1 1 1 1 1 1 1 1 450.3018 *450.3071* 450.3071@11.247008 1 2570 1 1 1 1 1 1 1 1 1 1 1 1 1402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.3071 *450.3073* C21 H38 N8 O3 12262 10312 10977 11796 11624 11006 11923 11705 11717 12806 11683 11304 11045 11993 10936 10603 11307 11298 11390 11466 11204 12651 11270 11138 9010 9075 11492 10745 10760 10662 11309 6681 11126 11129 10681 10564 11024 10485 10234 9974 10944 10163 10250 9675 10098 9155 8785 8945 8982 8684 7877 8501 7538 8399 8579 8582 7523 7649 8220 8617 7837 7721 8148 7298 7591 7081 7923 8071 7434 6733 6640 6725 7721 7101 7761 7344 7043 7152 7612 7230 6992 7407 6979 7388 6625 6889 6877 6291 6899 6654 450.3073 *450.3688* 450.3688@14.2455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2069 1 1 1 1 1 1 1 1 1 1 450.3688 *450.8091* C13 H3 Cl2 N O3 S5 5279 4916 4671 5356 4797 4981 4855 4708 4642 5078 4486 4241 4836 4775 4996 4162 4707 4172 4617 4951 4645 4885 4155 4692 4619 4797 4520 4847 4086 4510 4065 4259 4725 4334 3700 4601 4169 4081 4512 4509 4794 4084 3732 4460 4189 4227 3295 3456 3569 3764 3446 3638 3677 3488 3568 3052 3111 3123 3465 3620 3090 3135 3249 3172 3245 2902 3300 2977 2979 3508 3082 2763 3077 2993 2991 3228 2523 3086 2952 2745 2764 2922 2935 2939 2810 2826 2923 3253 2882 2531 450.8091 *451.1399* 451.1399@0.93450254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1196 1401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 451.1399 *451.2693* C17 H33 N13 S 1 1181 3050 2906 1823 1978 1356 1503 1045 1715 1656 1938 2282 1974 1441 1 1495 1307 1591 1784 1309 1536 1 1063 2313 1 1683 1482 1304 2101 2464 2213 1 1332 1522 1 1647 1704 1365 1 1287 1430 2675 2848 2234 1981 1538 1432 1 1 1 1 1283 1031 1 1 1 1 1 1 1234 1 1173 1165 1396 1211 1 1 2697 2252 2335 1 1 1 1 1 1564 1769 1565 1537 1 1 1 1 1 1331 1 1 1 1 451.2693 *451.3149* 451.3149@11.118916 1 1 53139 51514 5421 5163 2721 2414 1 1 9212 8277 2188 1748 1 1 1002 1125 1170 1169 1 1 1 1 345948 347458 2264 1544 1 1 5843 5244 1 1 1 1 17903 17589 1 1 1 1 11914 11846 1879 1542 1 1308 1 1 1 1 1 1 1924 1466 2762 2767 28737 28938 1 1072 1 1 1 1 1 1 2167 1202 33828 33626 1 1 1 1 1118 1219 1 1 5129 4961 1 1418 1 1 1 1 1 1 451.3149 *451.3873* C21 H45 N11 7491 6965 7115 6772 6882 6523 6644 6204 6714 6480 6882 6767 6524 7416 7503 6702 6737 7129 6871 6763 6587 6842 6941 7119 6863 7715 6792 7196 6484 5678 6889 7162 7336 7435 6746 6660 6935 6927 6138 6847 5412 6602 6958 6623 6996 5195 6488 6081 6988 6297 6316 6085 6909 6528 6392 5701 5786 6536 6252 6470 6192 6123 6046 6195 6388 6980 6821 5896 5982 6372 6366 6073 6636 6832 5736 6228 6209 6302 5967 6613 5957 6248 6131 5755 6326 6184 6069 5674 5932 5922 451.3873 *451.5097* 451.5097@14.575386 1 1 1 1 2235 1 1232 1 1 1 1 1 1 1 1 1 1276 1 1 1 1 1 1 1 1 1 1 2254 1 1 1 1 1 1 1896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1574 1 1 1 1 1 1 451.5097 *451.5107* 451.5107@14.573398 1476 2778 1 1697 2112 1 2382 1 1 3544 1731 1 2177 1 1 2857 1500 1252 3313 4348 2389 3989 1 1 2084 1 1 1872 1827 1 1 1 2426 1 2337 1 1 1 2706 1417 1 1 1 1 1 4023 1 2931 2874 1 1 2742 1 2209 1 1 1 1 1 1 1 1 3418 1 1771 1 1 1 2556 2429 1229 2793 1 1 4001 1 1 1 1 1 2137 1 2441 1158 1998 1 1 1 1 1 451.5107 *451.744* 451.744@0.8395928 13585 7602 9564 8935 12963 13582 7725 10177 8280 11387 9888 7371 8939 7859 11370 9227 8799 7613 14119 10958 7315 7401 11306 8404 12726 8199 7837 12432 7548 7653 8364 9868 12022 8059 7426 8829 8531 7753 8411 7583 7413 9532 7693 7543 11637 10450 8407 9092 15349 8115 7740 10698 7918 9850 9897 7741 7723 7451 7461 7407 8138 8956 6977 12634 8011 8916 7078 9863 6980 7377 7568 7717 7420 9789 7510 7520 7560 7690 13256 9846 7671 9989 8085 13652 7409 7535 9620 7569 10076 9298 451.744 *451.7711* 451.7711@5.7505913 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 451.7711 *452.1595* C25 H28 N2 O2 S2 18398 9590 8360 24348 16957 7147 9241 18512 3795 13158 16909 8336 5941 6318 14611 4057 17541 8415 1446 23903 8206 3280 16771 8431 11861 14360 1255 12401 2612 8917 13614 14001 1486 25872 7693 12392 5375 9853 3118 2839 9024 14159 4013 4169 7764 6674 11224 3518 7058 3925 9761 6268 12563 10326 16086 8933 5582 4806 13801 8825 8007 7599 5184 4144 3891 3499 3994 5585 1 1865 2765 3469 2740 3647 1766 1 4400 3738 2822 2870 1 1 8239 4574 2419 2212 1 1755 11307 4844 452.1595 *452.16* C18 H28 N8 S3 1473 20474 7970 1785 1284 12215 12024 1038 1565 1020 1106 6450 10377 7285 1010 18435 1009 7835 11164 1391 8643 7414 8042 17747 11334 14786 10356 7675 8009 20798 13296 28844 2232 1788 9110 4687 8476 4421 5095 10442 5627 1073 2702 2778 5038 6486 9090 11642 5038 10363 7655 1447 11926 8884 9088 5781 6615 4685 19981 1602 1 6779 4957 1 4140 5705 5219 6002 7520 3053 5010 4577 3757 4279 3547 7327 5796 5925 4184 4106 7432 5585 6183 7258 3200 3810 4894 2914 4772 7339 452.16 *452.1601* C33 H24 S 26327 27165 28485 28463 2167 26739 28471 30619 21766 20019 19783 20223 20051 2074 28826 27733 27777 26560 35089 35657 44693 44954 1834 21104 1352 31461 38598 37680 27091 30588 27524 25567 35515 36050 1084 1705 1567 34378 25703 24577 1359 1458 17697 18354 1369 23393 2534 32365 24197 25043 26835 29562 30402 30427 1955 23401 20384 21711 1091 31681 26673 26789 24510 21538 27626 25566 24687 1234 31926 31350 29697 28184 21443 20900 22817 23950 33524 33204 24451 24274 29328 29820 1226 30811 24884 26460 21338 21035 27457 27372 452.1601 *452.1601* C24 H25 Cl N4 O3 + 9.755814 8620 3121 4656 2791 26154 2982 1145 7899 2408 3196 2216 2837 2347 2647 11466 3407 7884 1117 11902 11690 3900 9006 20751 2261 30424 2577 12496 11647 7416 2092 3697 4234 13332 13708 22662 2488 7306 1694 2228 4105 27168 26406 1118 1777 22878 6950 29621 4234 1569 1247 2648 9300 2237 2241 23713 1590 6361 6981 29913 11988 6566 8784 6026 6392 8036 8021 5873 25052 7220 4704 8154 7923 2745 1508 3741 5273 8615 8485 3344 5496 7694 7726 32806 9455 4368 4502 3890 2661 1165 9680 452.1601 *452.1602* 452.1602@9.830231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1053 1 1 1 1 1 1 1 1 12628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.1602 *452.1604* C33 H24 S + 10.015057 1 1595 1994 11441 1642 1 1703 1 1 1294 7592 1441 1 1 1 1279 1 1529 2194 1920 11945 1601 2241 1 1879 9573 9907 1639 1166 1200 14320 2012 27870 1959 7270 2294 1170 1071 5642 1 5456 5203 1 1 9232 1 8833 6605 5804 1 8563 1 1312 7903 1660 6531 1 1 1369 1 1 1 1 1 1 1 1 2796 1 5376 1 1 2999 5422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.1604 *452.161* 452.161@10.435483 1159 1 1157 1204 1 1 1275 1 1125 1 1 1223 1 1 1 1058 1 1138 1229 1506 1248 1247 1 1 1440 1286 1 1044 1 1 1474 1299 1344 1160 1 1 1 1 1 1 1 1 1 1 1 1 1017 1 1 1 1 1 1 1365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.161 *452.1612* 452.1612@9.947216 1 1 15891 1110 6966 1 6921 1 13823 4796 1006 12217 1 7144 1 10111 1 1 13409 1 1524 14690 1 1 3971 1985 1 1 10450 1 1258 1738 1 1 1 18560 1 4946 1 1 2429 1216 1 1 1 1 2987 1 1 1 1334 1 9166 1701 1 1 1 1 1631 10367 1 1 1 1 1 1 1 1 1 1 1 1 1 1127 1 1 1 1 1 1 1 1 4773 1 1 1 1 1 7635 1 452.1612 *452.1613* C24 H25 Cl N4 O3 3921 2806 2945 2758 2391 3025 2512 2828 2927 3272 2577 2818 2715 2291 3372 3220 3709 2652 3889 4025 3383 3426 2547 1923 3583 3134 4040 3176 3373 3722 3810 4169 4687 4861 2813 2445 2175 2475 2681 2563 3916 4313 1863 1681 2705 2407 3261 3285 2915 2942 2430 2860 2829 2999 2435 2832 3023 2891 3488 3522 2408 2495 2866 2328 2383 2372 2799 2652 1552 1588 2279 2047 1867 2231 1919 2387 2316 2648 2370 2359 1796 1964 2448 1920 1837 1796 1745 1707 2574 2067 452.1613 *452.1613* 452.1613@10.173786 1 1 1554 1617 1 1 1 1 1 1 1 1 1 1 1 2479 1 1 1 1 1375 1761 1 1 1521 1 1 1 1 1 1688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.1613 *452.1614* C20 H33 Cl O7 S + 9.527979 2821 3205 3022 2787 1940 1 2110 2684 1768 2003 2205 1812 1611 19962 2681 3726 1906 2010 3253 3672 2733 4535 2121 1016 3420 3568 2487 3294 2811 3348 3842 3598 3054 3337 1798 1257 36929 1474 1423 1239 1576 1209 1 1 1009 1372 1750 2192 1225 1327 2005 1742 2536 2030 1453 1600 1406 1320 3172 2366 1308 1461 1 1143 1003 1360 1316 1138 1147 1057 1 1 1361 1119 4047 1 1286 1020 3302 1 1 1 1021 1132 1 1 1 1 1853 1 452.1614 *452.1627* C20 H33 Cl O7 S 1433 1683 1773 3111 3396 1731 2265 2420 2149 1941 1707 1924 1 1122 2813 2690 1637 1606 2322 3089 3281 2713 1385 1218 1886 1814 3248 4604 1631 1836 2160 2580 5742 5407 1721 1806 1958 2046 2138 2267 3463 3304 1492 1389 1804 1476 3517 2308 2117 1669 2523 2190 2550 2720 1906 1847 1660 1712 3787 2500 2085 2457 2112 1769 2516 2088 2298 3191 1947 1645 2612 2681 2217 2453 1437 1094 3506 2087 2421 1672 1497 1750 1784 1794 1793 1794 1463 1080 1907 1588 452.1627 *452.3356* 452.3356@5.0230055 1 1 1 8252 1 1425 1 1 1 1 1 1092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6207 6035 1 1 1 1 1 1 1 1 1 1 452.3356 *452.3357* C24 H44 N4 O4 28840 25604 26606 20003 25587 25280 26840 25765 28081 26381 26895 28310 28185 27650 28889 25578 27841 26456 27072 24871 26719 28966 27939 26697 25836 24303 27616 27585 27452 26417 29172 29383 28889 28313 26189 28213 27540 27482 25844 26947 27770 26240 26242 24871 26879 27039 27553 27884 25428 26433 22706 22704 24453 26635 22338 23116 25417 25017 26673 25545 26631 27218 25665 24809 26287 26442 24476 26868 25680 25919 24711 24837 25107 24814 24612 25466 25135 25927 24975 27045 24395 22623 25234 25047 24856 25627 25913 23192 25225 26853 452.3357 *452.3867* 452.3867@13.896101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.3867 *453.1633* 453.1633@9.977656 1 1 1493 1 1 1 1 1 1 2799 1 1 2620 1 1 1 1 4954 1 1 4707 1 1121 1 1 1 1 1 1 1 1 1 1 1214 1 1 1 1 1 1 1 1 1 1 1 1 1 1957 1 1 1 3255 1 1 1 3366 1 2245 2200 1 1283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.1633 *453.1648* 453.1648@10.056404 1 1 1 1 1 1 1 1 1 1 1 1 1161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.1648 *453.2357* 453.2357@5.5029674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1349 2082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.2357 *453.2876* 453.2876@11.421013 1 1 1 1 1 1 1330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.2876 *453.7363* 453.7363@0.841004 5639 8206 8786 6304 4246 4172 3731 1 5617 4597 6365 3886 4183 6272 4232 6216 5687 7440 5302 4153 4840 6303 7081 7126 3889 5149 7030 6276 3887 6183 4381 6063 4346 6321 5505 3826 7732 4026 10612 6330 4153 3824 4252 4007 5278 7652 4005 3995 4304 6059 3776 7015 4461 4449 3962 5982 4115 4064 4206 10702 8156 3853 5684 5996 5581 4002 8929 3997 4076 4636 9179 4577 3617 4086 3842 4063 8219 5701 5256 5778 5616 6300 4297 9284 3692 4042 1 5420 4055 4290 453.7363 *453.9074* 453.9074@0.79800534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.9074 *453.918* 453.918@0.80101144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2512 1 1 1 1 1 453.918 *454.2252* 454.2252@12.439028 1 1 1 1276 1092 1543 1228 1 1 1 1 1 1 1290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.2252 *454.2281* 454.2281@12.436622 1265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1313 1 1177 1 1 1 1130 1234 1 1055 1 1257 1 1 1 1 1 1064 1 1 1 1 1 1 1 1 1375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.2281 *454.3253* 454.3253@14.213183 1 1942 2793 1 3540 1 1 1 1 3801 1 1 2152 1 1 1 1 1 2283 2130 3271 1 1 2681 1 1 1 4824 3005 1 3549 1 1 1 1 2551 1 1 1 1 1 1 1945 1 1 1 1 1 3152 1891 1 1 1599 1 1 1 1 3405 1 1 1465 1 1856 1 4548 3031 1 3421 1 1 1 4564 1 3050 1 1 3265 1 4217 1 1 2571 1 1 1 2162 1 4701 1 1 454.3253 *454.3262* C17 H43 Cl N10 O2 1767 3709 3900 5512 3713 4016 2394 3162 3855 3386 3994 6037 4532 6143 6763 3935 1850 1 3145 1717 4178 5775 6207 3721 2988 5157 3433 2879 1621 6439 2197 3453 8334 4438 6210 3984 3694 2070 6005 7265 3832 4746 2619 7380 6155 5611 1 4504 2479 3364 6869 3296 4209 5793 6023 2312 4267 1498 5564 4195 2379 1 4931 2873 2533 2544 6230 2870 5919 5919 5195 2819 4297 2406 5837 1 2438 5603 2891 5182 2151 4604 1 5891 5955 3348 5623 2058 2537 5188 454.3262 *454.3337* C32 H42 N2 2491 1543 1 1629 1770 1 1675 2028 1 1 1 1 1692 1971 1 1485 1 1506 1810 1930 1855 1492 2222 2168 1 1 1790 1 1 1 1 1 2178 1745 1715 1976 1 1 1 1796 1487 1336 1 1 2213 1 2001 1796 1 1456 1 1 1618 2371 1 1521 1002 1765 1 1707 1722 1405 1489 1 1 1 1561 1689 1 1 1828 1 1784 1 1 1634 1812 1 1 1692 1 1175 1 1 1711 1 1976 1 2076 1234 454.3337 *455.1905* 455.1905@5.6584015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1186 455.1905 *455.1931* 455.1931@5.174803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3810 4108 455.1931 *455.1948* 455.1948@5.0377913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4880 5209 455.1948 *455.2149* 455.2149@1.2429942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2774 2403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 455.2149 *455.719* 455.719@0.84335893 2206 2287 2131 2244 2424 1 2295 2420 1 1 1979 2419 2167 1 2460 1 2094 2194 2079 2205 1 2160 2026 2758 1 1971 2357 2382 2167 2104 2204 2201 1 1 2510 1 2277 2333 2475 1 2211 2411 2436 2272 2089 1 2368 2085 2304 2325 2231 2057 2257 2425 1951 1 2192 2271 1 1 2140 1 1 2085 1 1 1 1986 2077 1 2005 1 2115 2093 2094 2163 1998 1 2405 2177 1 2043 2393 2317 2204 2260 2324 2052 2134 1 455.719 *455.7229* 455.7229@0.8418964 1 1 1 1 1 1 1 1 2694 1 1 1 1 2491 1 2169 1 1 1 1 1 1 1 1 2093 1 1 1 1 1 1 1 1988 2050 1 2505 1 1 1 2856 1 1 1 1 1 2092 1 1 1 1 1 1 1 1 1 1 1 1 2091 2385 1 1910 2283 1 2314 2084 1 1 1 1 1 1916 1 1 1 1 1 2093 1 1 1937 1 1 1 1 1 1 1 1 2070 455.7229 *455.8538* 455.8538@0.8180014 1 1 1 1 1 1 1 1 7476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6735 1 1 455.8538 *456.0278* 456.0278@0.82498586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.0278 *456.2697* 456.2697@11.117226 1 1 5123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1606 1453 1 1 1 1 1 1314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2376 2222 1 1 1 1 1 1 1 1 1 1 3614 3348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.2697 *457.1527* 457.1527@3.2121994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4327 3777 1 1 1 1 1 1 1 1 1 1 457.1527 *457.1834* 457.1834@3.7421424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1370 1382 1 1 1 1 457.1834 *457.3151* C23 H43 N3 O6 6576 3930 7622 7891 6918 6775 6892 7636 7185 8129 5662 7136 8263 7231 6372 7015 6885 6767 7093 6715 5675 7593 3072 7579 7008 2476 6911 6818 7269 7856 6725 6769 6341 6569 6698 6961 6748 8117 5931 2197 5732 6072 4895 7481 7172 6766 7078 7032 5286 1242 5368 6717 5809 5955 6047 6156 5803 6277 5749 2094 5301 6136 6022 5828 5041 5371 5960 5703 5067 5626 5856 5981 5223 6042 6208 6106 5215 5260 4421 6330 4597 4631 2499 5161 6295 5525 5368 5367 5315 5499 457.3151 *457.3162* 457.3162@11.891563 1 2079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2467 1 1 1 1 1 1 5322 1 1 1 1 1 1 1 1 1 4098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2400 1 1 1 1 1 1 1 457.3162 *457.339* C22 H39 N11 7418 8220 10089 8792 8358 1172 8087 8156 6308 8299 2258 8173 7315 6562 7289 8543 7584 2189 8248 7203 8048 7031 6682 7416 8878 8452 8459 7725 8380 9973 8041 7430 8857 7534 8023 8411 7665 8883 6874 8554 8686 8461 8281 2004 7295 7380 8025 8165 6395 6606 6521 5166 6288 5599 5896 4903 2547 6238 4914 6045 5634 5248 6476 5701 6259 5335 5698 5246 5004 5278 6880 6942 5500 5709 6050 5362 5825 5471 5870 1003 5260 4794 5449 6013 6616 6034 4792 3713 6039 4528 457.339 *457.3391* 457.3391@12.164841 1 1 1 1 1 5590 1 1 1976 1 4430 1 1 1 1 1 1 5434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4262 1 1 1 1 1 1 1 1 1 1 1 1 2330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1496 1 1 1 4070 1 1 1 1 1 1 1 1 1 1 457.3391 *457.3747* 457.3747@12.707804 1 1 1 1 1 1 1 1 1 1 4689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.3747 *457.7777* C12 H Cl3 O5 S4 8241 8108 7712 7721 8008 7797 8095 8087 8718 7810 7717 7900 7574 9276 8368 7765 8361 8098 8789 7854 7884 7914 7869 7912 8407 8204 8078 7817 8259 8097 7769 7687 8349 8613 8654 7696 8526 8244 8436 7864 7295 8280 8129 8041 8183 7877 8084 8461 8372 9095 8042 8705 8116 8007 7656 8231 7945 7560 8002 8423 8009 8361 9253 8088 7593 7604 7818 7655 7433 7681 7836 8301 7518 7536 1 7753 7743 7641 7250 7144 7482 8073 8641 7754 7823 7855 7741 8662 7912 7575 457.7777 *457.7795* 457.7795@5.82677 1 1 13600 14514 1 1 1 3710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7531 7654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9972 1 8221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.7795 *457.817* C10 H9 Cl3 O4 S5 2950 3056 2956 3333 3263 3044 2813 3576 3383 3051 3838 3137 3002 3483 3165 3371 2928 3662 3438 1145 2991 3353 3242 3687 3541 3141 3170 2915 3184 1594 3175 2918 3430 3414 2226 3312 3065 3031 2856 3091 3372 3271 3039 3292 3198 2864 2896 2863 1433 2939 2794 3274 2646 2929 2866 2468 2575 2560 3165 2862 2869 2802 2266 2773 2772 2546 2759 2315 2142 2809 1003 2698 2665 2559 2811 2344 2525 2585 2326 2695 2453 2446 2331 1546 2436 2194 2374 2301 2171 1818 457.817 *457.8183* 457.8183@11.902245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1068 1 1 1 1 1 1 1 1 1 1 1 1 1 1597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1565 1 1 1 1 1 1 1 1 1 1 1 1 1055 1 1 1 1 1 1 457.8183 *457.9361* 457.9361@0.80535823 1 1 2047 2254 1 1 1 2286 1 1928 1 2330 1 1 1 2289 1 2267 1 1 2343 2010 1 1 1 1 1 1 2070 1 2034 1 1792 1 1950 1 1 1772 1925 1856 1 1 1 1915 1937 2081 2002 1 1826 1828 1 1 1 1 1 1988 1 1 1 1886 1 1 1 1 1 1 1857 1 1 1930 1 1 1 1 1 1865 1 1982 1 1 1 1809 2254 1 1745 1855 1865 2014 1 1 457.9361 *458.1763* 458.1763@1.2235459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4001 3576 1 1 1 1 1 1 1 1 1 1 458.1763 *458.2721* 458.2721@4.7695727 1 1 2003 2073 1 1 1 1 1 1 1 1 1863 1 1 1 6701 6632 1 1 1 1 1 1 1 1 2203 2361 1 1 1486 1 1 1 1 1 1 1 1 1 1 1 1 1 1201 1243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1424 1678 1 1 1 1 1 1 1 1 2570 2515 1 1 1 1 1 1 1 1 1 1 458.2721 *458.3413* 458.3413@12.164676 1 1 1 1 1 1 1 1 1 1 1528 1 1 1930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 458.3413 *459.2314* 459.2314@4.583395 1 1 1 1 1 1 1 1 1 1 1 1 33668 34569 1 1 122148 122989 3034 2881 1146 1246 1 1 1 1 1 1 6856 6598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2746 2371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20169 19623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7032 7038 459.2314 *459.267* C32 H33 N3 1647 1692 1641 2653 1690 1543 2071 1603 1741 1585 1566 2034 1864 1408 1343 1731 1166 1611 1 1501 1471 1565 1577 1338 1203 1867 1791 1420 1626 1566 1720 1621 1507 1633 1792 1758 1385 1787 1963 1432 1683 1823 1531 1123 1859 1023 1 1260 1 1 1 1140 1189 1326 1 1326 1 1097 1112 1148 1103 1342 1 1358 1323 1168 1 1078 1415 1464 1156 1176 1041 1 1070 1 1190 1776 1128 1040 1072 1192 1007 1290 1 1 1149 1 1205 1094 459.267 *459.2672* 459.2672@5.2319155 1 1 2071 1550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1780 1976 1 1 1 1 1 1 1 1 1 1 1 1 2072 2483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1407 1352 1 1 1 1 1 1 1675 1220 1 1 1 1 1 1 1 1 1 1 1 1 459.2672 *459.2862* C24 H45 N O3 S2 5264 5745 6265 6487 6154 5732 5667 6072 6086 5757 6251 5926 6281 6265 6372 6022 6186 5975 5909 6066 6298 6521 6403 5887 6192 5895 6349 5556 5903 6115 6176 6613 6380 6673 6408 6171 6373 5970 6254 6414 6144 6755 6171 6249 5108 3917 3874 3663 3977 3874 3766 3527 4150 4091 3716 3748 3399 3700 4256 4127 3994 4260 4240 3701 4749 5295 4187 4084 4272 4103 4198 4433 4113 4256 3855 4313 4144 3861 4180 3764 3997 3644 4194 3838 4077 4081 4333 4174 4343 4095 459.2862 *459.2867* C25 H33 N9 2166 1835 2047 1746 1916 1858 1932 1835 2018 1867 1979 1956 2082 1629 1821 2113 2006 1585 1858 2262 1966 1974 1971 2060 1746 1697 1808 1812 1948 1913 1953 1842 1849 1848 1748 1937 1 2041 1750 2186 2091 2008 1415 2025 2061 1712 1518 1565 1488 1 1 1 1597 1305 1450 1491 1233 1735 1432 1 1 1504 1544 1 1229 1 1442 1 1 1168 1545 1441 1574 1200 1404 1 1260 1 1 1634 1 1 1401 1 1688 1537 1201 1 1684 1323 459.2867 *459.7764* C12 H3 Cl3 O3 S5 9947 10283 9918 9913 10017 10031 10570 10849 10030 10078 10049 10038 10321 10131 10628 10909 10918 10321 10458 10072 10898 10459 1 10334 10395 9766 10165 9418 10035 10054 9417 9982 10391 10807 10528 10344 10169 10502 10250 10064 10160 9859 10381 10074 9676 11761 10608 10350 10604 10446 10518 10360 10820 10352 9789 10538 10038 9912 9377 10215 10360 9455 10238 10028 10202 9369 9911 9856 10682 9898 9644 10364 10090 9683 9351 9574 9683 9267 9533 9861 9507 9686 10899 9373 9657 9612 9507 9377 10199 9735 459.7764 *460.3514* 460.3514@13.551521 1 1 2900 1 1 1 1 1 1 1 1 1263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3122 1 1 1 1 1 1 1 1 1826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.3514 *460.3515* 1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitamin D3 / 1alpha,25-dihydroxy-26,27-dimethyl-24 + 13.434656 42145 45401 43245 43882 43343 42681 42774 45827 40488 45270 47172 42885 44785 46256 44904 47602 43708 43006 45916 45182 45944 47590 45168 43872 44121 44714 44584 44196 44091 46314 45061 45252 40889 46469 44147 45260 43794 43741 47208 49722 42783 48433 48483 44974 45397 41783 41730 37154 40856 41521 43149 43084 41827 39682 38465 40144 40316 40767 42700 40789 38201 38728 41048 39647 39601 42672 39910 40880 39728 40108 43071 44302 40944 42650 41702 42204 42419 41353 42333 42774 42290 43173 42572 41281 45156 41966 41208 40380 41424 41370 460.3515 *460.3558* 460.3558@13.31341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.3558 *460.3573* 1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitamin D3 / 1alpha,25-dihydroxy-26,27-dimethyl-24 1 1 3204 1 2868 2269 3220 1 2542 1 2182 3584 1 1 1 1 2924 1 1 1 1 1 2460 1494 1 2470 1 2849 1 1 2400 1416 2331 3764 1745 1 1 2340 3573 1 1905 1 1 1 1 4834 1 1 1165 3517 1 1 3323 1 1 1 1010 2867 2569 1 1 1661 1 1 1 3251 2988 2193 1 2260 1515 1 3086 1 1457 2261 1 1282 1959 1 1 1 1 2020 1808 1 1 1474 1 1 460.3573 *460.8593* 460.8593@13.362916 1 1 1 1 1 1 1 1 2298 1 1 1926 1 1 1 1 1 1 1853 1 1 1 1 1 1 1 1 1 1 1 1 1890 1 1 1 1 1 1 1 1 1 1 1 1 1 2912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.8593 *461.2646* C24 H31 N9 O 2078 2790 2266 2743 2780 2150 2449 2216 2221 2413 2001 2867 2072 2123 2037 2639 2783 2947 3030 2182 2321 2905 2963 3019 3154 3008 2468 2884 2371 3185 1773 1889 2887 2905 2920 3055 3125 2815 2833 2713 2901 2886 3108 3319 2691 1481 1599 1721 1546 1238 1510 1497 1620 1355 1545 1431 1427 1506 1577 1511 1951 1567 1634 1761 1637 1536 1676 1 1531 1819 2140 1587 1632 1562 1681 1 1883 2102 1870 2166 1682 1825 1979 1787 1557 1715 1974 1554 1722 1780 461.2646 *461.283* 461.283@4.4183216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1251 1376 1 1 1 1 1 1 1 1 1 1 461.283 *461.2847* 461.2847@4.7232847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1651 1 1 1 1 1 1 1 1 1 1 461.2847 *461.7719* C11 H Cl3 O6 S4 6849 6448 6216 6383 6784 6106 6541 7020 6829 6247 6870 6778 6789 6493 7111 6829 6910 6957 6199 6851 6684 6189 6520 7030 6113 6853 6346 6281 6430 6376 6413 6121 6927 6849 6674 6912 6851 7022 6875 7405 6243 6727 6378 6347 6356 6492 6610 6534 7294 6654 6760 6612 7024 6930 6491 6520 6636 6974 6426 6574 6827 6081 6650 6644 6411 6296 6260 6390 5872 6248 6363 6348 6326 6724 8350 6344 6489 5881 6000 6088 6443 6583 6859 6507 5976 6283 6102 5641 6619 6286 461.7719 *462.1238* 462.1238@12.74852 1723 2128 1 2541 1 1 1 1 1 1 1 1 1 2005 1829 1 1844 1728 2321 2050 1 1 1 1 1733 1511 1 1 1 1 1 1 1871 1 1 1 1 1 1 1 1 1 1 1 1 2073 1 1 1 1884 2789 1 1897 1 2429 1 1 2416 2666 2684 2373 2353 2148 1 1 1 2748 2504 2600 1 1 2655 1966 2480 2679 2374 1 1 1 1654 2283 1 2119 1 1 1 1 1925 2314 2003 462.1238 *462.3229* 462.3229@12.388229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 462.3229 *462.3357* 3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oic acid 1926 2304 1896 2192 2135 2432 2246 3373 2241 2521 2221 2473 2421 2316 2099 2862 2037 1583 2005 1844 2132 2433 2022 2043 2361 2633 2076 2607 2067 2055 2040 2008 1883 2083 2657 2352 2127 2354 2112 1917 1 2290 2248 2076 2137 1886 1765 2043 2597 2082 1 1712 1 2017 1 1780 2319 1845 2183 1835 1982 1573 1226 1870 1645 1690 1510 1564 1947 1656 1463 1580 1561 1483 1920 1656 1 1710 1735 1455 1399 1411 1953 1405 1764 1824 1329 1792 1545 1673 462.3357 *462.8367* 462.8367@12.346612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 462.8367 *463.1827* 463.1827@3.1131754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3724 3746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 463.1827 *463.1857* 463.1857@4.5385566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 463.1857 *463.2787* 463.2787@7.226538 1 1 1 1063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 463.2787 *463.2905* 463.2905@6.4047074 1 1 2810 2304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1357 1274 1 1 1 1 1 1 1 1 1 1 1 1 1377 1488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1177 1170 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 463.2905 *463.3266* 463.3266@12.1807165 1 1 1 1 1 1 1 1 1 1 1605 1 1 1238 1 1 1 1 1 1 1 1 1 11091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1567 1 1 1 1 1 1 1 1 1 13827 1 1 1 1 1785 1419 1 1369 1 1 1262 1 1 1 1 1 1 1 1 1 1 1 1 1 13067 1 1 2601 1 1 14249 1 1 1 1 1 1043 1 1 463.3266 *463.3281* 463.3281@12.259749 1 1 1 1 11480 1 1 1 1 1 1 1 1 11908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1169 1 1 1 1 1 1 1674 1 15799 1 1 14051 1619 1 1549 1 1 1 8731 1 1518 1 1 1 1 2249 1 13702 1 1 1 1 1 13128 1 1 1967 1457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 463.3281 *463.346* 463.346@13.432749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 463.346 *463.35* C25 H53 N O2 S2 6273 5746 6521 6203 6321 6714 6131 5829 6572 5791 6669 6259 6660 5691 6378 6798 6389 5956 6375 5588 6291 5894 6470 6361 6393 6439 6076 5798 6731 5545 6372 5862 6533 6059 5654 5612 5713 5398 6192 5589 5565 6124 5646 7103 7029 6525 5571 6782 6327 6092 6280 6283 5785 6018 5649 5253 5161 5870 6133 5881 5701 6216 5712 5345 5891 5615 7040 5218 6631 7360 5008 5857 5588 5360 5382 5606 5806 5478 5104 5179 6497 5707 4959 5702 5988 5725 6030 6104 5148 5295 463.35 *463.4185* 463.4185@14.300047 1 1 1 1 1 2436 1 1 1 1 1 3669 1 1 2007 1 1 2620 1 1 1 2716 8786 1 2987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1370 1 9065 1 1 1 1 1 1 1 3109 1 1437 1 1 1 1 2230 1 1 1 3286 6270 1 1 1 1 1 1 1 1 7949 1013 1 7368 1815 1474 1 1 1 1 1 1 1 8296 1 1 5960 1 1 1 463.4185 *463.4194* 463.4194@14.304862 1 1 1 1 1 3269 4680 1 1 1 1 5380 2936 1 1 1 1 1 1 1 1 1 1 1 5278 1 1 1 2903 2789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2881 1 7133 1 1 1 1 1 1 1 1 1338 1 5017 1 1 1 1 1 1 1 1 7784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 463.4194 *463.4206* C22 H53 N7 O3 7738 8844 7491 5028 6673 2334 2547 5902 9342 8473 8291 1 5246 8879 7408 8478 5712 4617 7692 8669 6744 2606 1 8612 1 9022 8297 7960 1 4044 5832 7212 9619 6102 8332 8588 6880 4226 8435 5213 5449 1 6198 8849 8962 7069 7370 1 6602 3614 7096 6144 4445 6965 5215 7267 1680 3550 1 7726 2333 1 5449 7858 7747 5172 5971 1 6531 6338 1 6744 6608 1 5600 5459 7137 7512 7064 6655 6711 6206 7261 1 7022 5692 1 6956 6329 6416 463.4206 *463.7629* 463.7629@0.838338 4488 1 4295 4179 4001 4272 4199 9361 4352 4268 4101 3669 4258 1 4029 4363 4467 4022 4234 4365 3947 3979 4489 4403 4127 4321 4029 3902 4175 3980 4348 3952 4221 7847 3988 4042 1 4301 4338 4115 3772 4804 4323 4282 4168 3945 4109 4403 4239 1 1 3966 4071 4126 4113 4270 4105 1 4035 4191 4044 4380 4121 3976 4157 4254 4074 4204 4088 4013 3694 4414 4227 4014 4074 4264 4156 4176 3700 4232 4349 4176 4666 3930 4163 4136 4104 3711 4096 4114 463.7629 *464.1397* 464.1397@2.9901786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1304 1079 1 1 1 1 1 1 1 1 1 1 464.1397 *464.1866* 464.1866@4.584649 1 1 1 1 1 1 1 1 1 1 1 1 1401 1735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 464.1866 *464.3152* 464.3152@14.276138 1 1 1 1 1 1 1003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 464.3152 *464.3299* 464.3299@12.473792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3432 1 1 1 1 1 1 1 3088 1 1 1 1 1 1244 464.3299 *465.1672* 465.1672@8.161678 1278 1167 1344 1166 1067 1 1 1 1 1 1221 1312 1 1 1538 1355 1160 1270 1 1049 1227 1135 1334 1108 1584 1425 1 1178 1302 1305 1386 1 1 1016 1 1 1357 1052 1 1 1094 1 1 1 1 1 1003 1 1 1 1 1370 1010 1314 1053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 465.1672 *465.3656* C21 H43 N11 O 1 1 1205 1 1 1054 1051 1 1 1 1 1448 1 1 1 1431 1 1434 1 1 1 1120 1573 1 1452 1321 1398 1431 1182 1119 1 1 1394 1 1432 1 1 1629 1 1 1 1 1 1335 1 1369 1358 1283 1 1212 1200 1 1 1 1 1076 1 1101 1278 1 1 1 1 1 1416 1010 1636 1 1305 1434 1 1 1 1 1 1 1 1094 1 1 1 1282 1 1201 1 1 1 1134 1 1 465.3656 *465.4034* 465.4034@14.438245 1 1214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1262 1 1 1028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1163 1 1 1 465.4034 *465.7481* C10 H Cl3 O5 S5 2577 11557 2827 1 2526 2365 4336 2046 2438 2422 2641 2619 4408 2472 1 2343 1 6783 4022 2335 1 4036 3200 2515 1 1 1 2458 2425 2622 2472 1 2429 2468 2418 2366 2579 4775 1 1 2370 2384 2365 2619 2260 4230 2253 1 2432 4834 1 2525 1 2534 4736 2614 5325 2696 3750 4628 1 2942 1 2495 5125 2481 2459 2245 4723 1 2343 2381 2375 1 3631 1 2245 1 1 2371 4164 4972 1 2626 2295 3171 2333 1 2318 2546 465.7481 *465.7523* 465.7523@0.84250534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5376 1 1 1 1 1 1 1 1 1 1 1 2569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 465.7523 *465.8735* 465.8735@0.810975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 465.8735 *466.129* S-(p-Azidophenacyl)glutathione 1 1 1 1 1 1 2623 2561 1650 1749 1245 1041 1 1 1 1 2249 1925 1746 1634 1191 1242 1181 1611 1 1 1 1032 1 1 1016 1109 1 1155 1 1 1451 1284 1088 1252 1395 1090 2227 2356 3281 3341 2444 2561 1055 1 1 1042 1572 1518 1 1 1 1 1150 1169 1034 1 1011 1014 1391 1362 1 1 1 1 1 1 1953 1686 1042 1 1120 1062 1 1 1 1 1 1 1006 1 1049 1271 1432 1664 C11315 466.129 *466.1299* 466.1299@1.1235431 1 1 1 1 1 1 2224 1942 1 1 1 1 1 1 1 1 1341 1177 1115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1094 1035 1402 1288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.1299 *466.1515* 466.1515@0.9169769 1 1 1 1 1061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.1515 *466.2916* C23 H34 N10 O 3947 3995 4122 4026 4256 3742 3196 3834 4069 4340 4111 4414 4557 3839 4239 4270 4092 3994 4241 3961 4104 4161 4065 4341 4020 3864 3462 4087 4302 3841 4138 3479 3611 3913 3801 4171 4268 3950 4060 4125 3588 3895 4128 3415 4035 4071 3646 1 3754 3750 3792 1 3577 1 3736 3249 3418 3619 3580 3384 1 3738 3147 1 1 3460 3748 3503 3310 1 1 2966 3162 3473 3537 3235 3795 3204 1 3479 2963 1 3056 2914 2895 3244 3073 2583 1 1 466.2916 *466.2943* 466.2943@5.863333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.2943 *466.2947* C19 H42 N6 O5 S 8679 7252 44665 44907 15861 16474 13731 12828 13957 13977 12963 12730 16085 19505 8126 8428 9525 9125 13995 12659 8205 8655 8145 7639 24647 25857 12307 12104 10248 9961 32900 32604 8050 8103 9581 9622 14990 15542 11707 11128 12126 12395 17697 17285 30846 28228 13182 12225 9037 8759 5524 5393 13329 13431 6041 5779 6654 6785 5427 6022 11681 11602 10366 9881 12718 12591 5776 5476 32560 30242 27815 27758 6597 6582 7102 6332 26316 24953 14886 14530 5787 6173 5072 5870 8560 9371 7186 6861 5860 5506 466.2947 *466.2948* 466.2948@5.5681543 1 1 1965 1940 1 1 1 1 1 1 1 1 3923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1204 1 1 1 1 1 1 1 3302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1190 1233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.2948 *466.7737* 466.7737@6.9547634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1397 1484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1492 1301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.7737 *466.7961* C14 H4 Cl3 N O S5 3423 3596 19978 19755 6541 6378 5256 5089 5567 5301 4512 4625 8346 8013 2917 3159 4218 3813 5840 5240 3749 3617 3151 3524 10744 10233 5037 5452 3671 3943 13895 13941 3125 3388 3499 3842 6576 6470 4278 4325 4452 4394 7194 6758 12444 12708 5233 5515 3183 3334 2108 1881 5129 5294 2238 2401 2527 2849 2276 2674 4746 4386 4440 3735 4940 5090 2073 2161 14392 13585 11149 12138 2979 2656 2681 2507 11107 10693 5938 5568 2726 2352 2447 2361 3823 3364 2469 2459 2307 2152 466.7961 *467.3213* 467.3213@10.106864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 467.3213 *467.3225* 467.3225@10.0491085 1 1 1 1 1226 1 1 1 1195 1 1 1 1 1 1 1 1050 1031 1 1 1 1 1 1 1 1 1 1 1 1 1247 1515 1 1 1 1 1 1 1 1022 1 1 1226 1 1 1 1 1 1 1 1 1 1285 1 1241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1314 1 1313 1 1 1 1 1 1 1 1 1 1135 1 1 1 467.3225 *467.3809* C21 H45 N11 O 4176 4723 4125 3217 3945 3476 3814 3975 3848 3822 3985 3780 4021 4303 4077 4119 3360 4009 3496 4117 4097 3070 3758 3967 4176 3947 4364 4240 2798 3901 4169 4294 3944 3929 4027 3880 3750 3861 4065 3753 4069 3452 3792 4250 3718 3309 3664 3001 2707 3084 3289 3215 3403 2299 2790 2691 2741 2536 3192 2136 2967 3389 2538 3435 3043 3170 3368 3010 2882 3377 2601 3332 2433 3467 3235 3134 2809 2682 2955 2369 3081 2610 2722 3049 2253 2654 3249 2774 2584 2664 467.3809 *467.3821* C28 H53 N O2 S 7099 7475 7250 7484 8306 7467 7660 7703 7217 7240 7770 7657 7510 7852 7773 6839 7308 6739 6526 7877 7588 6514 8055 7274 7413 7208 7750 7209 6922 7244 7141 7262 6852 6882 7222 7173 7008 6600 6624 6731 6959 6979 7616 6156 7142 6044 6609 5886 5379 6139 6077 5889 5653 4626 5362 5223 5046 5280 5306 5374 5810 5331 4737 4926 5188 5478 5255 4978 5773 5458 5449 5547 4463 4084 5101 5169 4994 5242 5273 5074 5146 5244 4855 4716 5013 5185 4662 5347 5154 5040 467.3821 *467.8066* C9 H2 Cl2 O12 S3 7751 7764 7500 7595 8036 7791 8459 8134 8323 8284 7783 8064 7819 7740 7798 8099 8090 7755 8099 7839 8184 7737 7733 7488 7841 7972 7640 7183 7970 7761 7581 7137 8158 17199 7511 8330 7903 7944 1 7657 7094 7927 7940 7472 7840 1 8694 7749 8103 7692 8119 8280 7823 8479 8030 7883 7609 7962 1 7654 7757 7865 8078 8179 7920 7881 7604 7208 7169 7573 7463 7485 7827 8004 7445 7150 7138 6912 1 7519 7469 7296 8214 7791 7596 7649 7583 7311 7341 8026 467.8066 *467.9184* 467.9184@0.8020069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 467.9184 *468.1591* 468.1591@1.2393401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2211 2046 1037 1030 1 1 1 1012 1 1169 1 1 1029 1 1 1 1 1 1 1 1741 1612 1254 1446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1386 1347 1 1 1 1 1 1 1 1 1 1 1 1 468.1591 *468.1689* 468.1689@1.2400469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1117 1 1 1 1 1 1 1 1 1 1 1 468.1689 *468.3235* 468.3235@13.309733 1 1 1 1 1 1 1 1573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 468.3235 *468.3476* 468.3476@4.944062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 468.3476 *468.3516* 468.3516@14.68614 1 1 1 1 1 1013 1 1 1 1223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1442 1 1 1 1 468.3516 *468.354* C15 H44 N14 O S 18680 20047 20376 19956 17785 23784 19918 19209 18827 20284 21364 19982 20134 20823 19727 18810 17440 18328 19033 18704 22530 19203 19391 20190 18480 22354 21320 22873 19228 20567 22620 20516 18329 21895 18139 19706 18746 20388 19377 21886 19962 18490 18228 20861 21990 18760 20385 20335 19845 17690 18814 19938 19618 20844 17876 18379 17069 18138 20880 18377 18667 16652 17914 19174 19019 19181 18315 18292 17662 20132 18605 18207 18893 19553 19843 17384 19237 19055 18622 17871 17798 18488 16852 21098 21366 17276 19170 17397 19038 18608 468.354 *468.8558* C14 H9 Cl2 N O3 S5 12171 11144 1 13498 1 11158 10375 10008 11714 1 12400 11208 1 1 11371 10835 1 11038 11484 10543 11115 11358 1 11632 10839 11963 10817 11235 1 1 1 11070 1 10228 9676 1 11750 10994 12045 10630 10998 10879 10736 12288 1 11842 11846 1 1 1 1 10452 1 10197 1 10727 8266 1 10518 10194 1 10201 1 9292 10004 10004 1 10013 1 1 10045 10287 1 1 1 1 1 10227 1 10772 1 1 10156 1 1 1 1 1 1 1 468.8558 *468.8569* C11 H4 Cl N3 O8 S4 1 1 11136 1 11551 1 1 1007 1 12007 1 1 12069 11480 1 1003 11044 1 1 1 1 1 11378 1 1 1 1 1 11999 12677 12568 1239 11360 1 1 12400 1 1 1 1 1 1 1 1 12910 1 1 10093 10964 10203 11810 1 11215 1 9499 1 1595 10696 1 1 11382 1 9838 1422 1 1 10558 1 10057 11316 1 1 9563 9974 10108 10896 11360 1 10731 1 11254 11805 1 11153 10408 10471 10897 11399 10570 9390 468.8569 *469.2863* 469.2863@6.7032943 1 1 1 1 1012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1048 1 1 1 1137 1060 1 1 1 1 1 1 1 1 1 469.2863 *469.375* 469.375@14.576914 1 1 1 1 1 1 1 2045 1 1 1 1 1 1 1 1 1 1 1 1974 1 1 1 1 1 1 1 1 1 1 1 3047 1888 1 1 1578 1580 2907 1 1 1 1 1726 2194 1872 1 1 1 2102 1 2552 1482 1 2393 1 1 1 1761 1 1 1 1 1 1922 1 1 1 1 2053 2011 1 1 2559 2446 1 1 1 1 1 1 1918 1281 1392 1 1 2253 2313 1 1 2403 469.375 *469.3911* 469.3911@14.593884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 469.3911 *469.3918* 469.3918@13.653747 2796 1 1 1024 1 1 1 1 1 1 1546 1 1 1 1 1755 1551 2379 1 1 1501 1132 1 1 1374 1 1 1 1 1135 1 3265 1 1 1994 1599 1325 1 1 1815 1 1 2872 1 1575 1618 1 1 1803 2340 2383 1 1213 2371 1 1940 1 1 1 1 2629 2881 2412 2855 2722 1 1 1 1 1 1300 1 2459 1 2696 1 1 1 1 2709 3509 1561 1 1 1154 1 3011 1 1 1 469.3918 *469.4087* 469.4087@13.164563 1 1 1 1 1535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 469.4087 *469.4122* 469.4122@14.313934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2278 1 1 1 1 1 1 1 1 1 2321 2165 1 1 1 1 1 1 1 1 1 1 1 1 6913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4529 1 1 1 1 1 1 1 1 1 1 1 1 1 469.4122 *469.4132* C28 H55 N O4 251956 292736 159086 273085 274887 272978 166183 280522 286401 277840 150828 283593 149696 149597 289960 292978 255245 265777 275373 282526 275976 278685 281588 277542 276077 266925 275678 153649 269573 149035 275048 152621 265644 274949 152125 287884 282032 268572 268057 268785 276173 151425 143585 265712 153205 293597 149901 139783 147135 145905 291291 277453 143285 273118 145149 278739 211763 278411 136323 135057 261407 259603 280036 272706 141385 273439 264859 265512 263181 270565 135844 134539 270293 274100 271802 134087 132033 270222 261881 265133 279192 274700 266913 267624 272713 263030 272458 134447 266513 131580 469.4132 *469.8055* C9 H4 Cl2 O10 S4 7993 8221 7650 7176 7729 7754 7868 7960 7734 1 7970 12544 7957 7826 8135 7822 1 7834 7669 13778 8108 7682 7794 7693 7751 7784 7752 7654 7781 7327 7758 7169 8013 1 7626 7631 7694 7995 14027 7568 7754 7409 7485 7491 7259 12965 8047 8160 7504 7358 8052 13586 7648 7734 7809 7525 7538 7769 6957 7906 7507 8006 7634 8486 7604 1 7118 7307 7299 7608 7574 7153 7502 7734 7324 7704 7422 7147 7015 7907 7465 1 7805 7527 7113 7482 7261 6921 7521 7653 469.8055 *470.0988* C25 H24 Cl2 N2 O S 3887 3996 3972 2393 2407 2671 2634 2741 2239 2539 3863 4667 4600 2716 4194 2556 2393 2416 2466 2539 2526 2398 2474 2539 2193 2582 2686 2602 2478 3809 2488 2625 2148 2399 2177 2653 2209 2192 2487 2182 3833 2242 2313 2132 2359 1809 1631 2061 1420 1651 1572 1674 1602 1538 1737 1662 1 1470 1742 1247 1696 1541 1596 1602 1582 1605 1494 1 1605 1525 1 1398 1497 1384 1 1 1364 1676 1 1171 1640 1 1675 1 1185 1 1 1 1225 1195 470.0988 *470.1772* 470.1772@1.242047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3287 1 1 1 1 1 1 1 1 1 1 1 470.1772 *470.4172* 470.4172@14.146469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1870 1 1 1 1 1 1 1 1943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 470.4172 *471.2715* 471.2715@3.6251278 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2876 2998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 471.2715 *471.4165* 471.4165@14.073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 471.4165 *471.8001* C12 H2 Cl2 O8 S4 5077 6196 5107 5745 6033 5369 5586 4983 5407 5324 5284 1 5335 5099 5809 5542 5677 5458 5386 1 5219 4963 5567 5715 5269 5058 5383 4852 1 5477 5478 4958 5616 5479 5088 5124 5631 6090 1 5251 5259 1 5418 5305 5298 1 5245 5304 1 5208 5774 1 5787 5157 5454 5078 4148 5225 5057 5460 4947 4951 5506 6041 5162 5108 5199 5251 5235 5270 5296 4923 5190 5261 6335 5090 5035 5238 5438 5326 5447 5297 5205 4750 5101 5406 4650 4957 5011 5087 471.8001 *472.0937* 472.0937@14.432538 1 1 1 1 1685 1563 1515 1587 1 1606 1 1 1 1 1 1370 1524 1 1492 1 1485 1146 1481 1 1 1627 1 1 1 1 1431 1 1329 1461 1485 1179 1 1 1 1197 1 1 1 1403 1379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.0937 *472.248* 472.248@11.117218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1151 1127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.248 *472.2502* 472.2502@4.759015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6673 6362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.2502 *472.2571* C27 H40 N2 O S2 6833 7344 7158 7050 7410 6963 7654 7763 5173 5095 4934 5019 4713 5185 6651 6743 7636 7347 8903 9129 13258 13073 5356 5711 7807 8539 11303 9621 7164 7028 6100 5978 8755 8688 5178 4891 10120 9988 7177 7535 6893 6601 5559 5127 6351 5370 6676 6749 5351 4371 6296 5928 7113 6746 4586 4648 4702 4405 7101 6408 6720 5684 4903 4845 6431 5746 5465 4729 6961 7007 6557 6054 4120 4499 5449 4631 7794 7968 5248 5094 7201 6746 7503 7260 5858 5913 4595 4287 6357 5982 472.2571 *472.3205* HECOGENIN ACETATE 13510 13684 14011 13693 12855 13790 13379 13932 13132 12673 13429 5940 13825 13590 13396 14086 10406 11640 13407 13126 12872 12704 12688 12849 12975 12607 12073 11840 12639 12783 12580 11297 12203 10878 10606 11061 12214 12371 11785 11360 12441 11076 11080 12681 11504 11449 10157 1100 10488 9794 9420 9446 10097 9694 9226 9291 8040 8977 9342 8632 9038 7724 8754 8580 8021 8322 8348 9283 8399 8457 8274 9351 7802 7619 7982 8352 8548 8136 7688 8059 7575 7735 6872 8302 7044 8151 8211 7756 7688 7551 472.3205 *472.3214* 472.3214@11.199528 1 1 1 1 1 1 1 1 1 1 1 7517 1 1 1 1 2183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.3214 *472.8227* 472.8227@11.184346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.8227 *472.8229* C14 H Cl2 N3 O4 S4 5978 5767 5607 5650 6380 5986 5554 5591 5570 5911 6085 5405 5748 6165 5112 5878 5345 5678 5666 5488 5362 5280 5239 5071 5388 5495 5295 5385 5198 5148 5286 5226 5600 4990 5109 5459 4982 4928 5314 5172 4667 4924 4311 4659 5581 4507 4297 4602 4111 4067 4226 1108 4084 4115 4195 4124 3630 3314 3802 3738 3800 3735 3646 4018 3389 3662 3476 3340 3550 3556 3737 3528 3722 3147 3461 3228 3210 3504 3141 3183 3533 3506 3589 3110 3087 3092 3320 3161 3211 2865 472.8229 *473.188* 473.188@6.732567 1 1 1 1 1673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 473.188 *473.188* 473.188@6.7925653 1 1 1 1 2056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 473.188 *473.2832* 473.2832@5.167899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2176 2356 1 1 1 1 1 1 1 1 1 1 473.2832 *473.2835* 473.2835@5.365246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1273 1308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1488 2054 1 1 1 1 1 1 1 1 1 1 473.2835 *473.2836* 473.2836@5.2314057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1760 1928 1 1 1 1 1 1 1 1 1 1 473.2836 *473.2837* C22 H35 N9 O3 1411 1 2989 2569 1641 1717 1 1 1736 1641 1260 1496 1964 2216 1 1070 1186 1253 1663 1 1 1 1 1 2148 2022 1373 1042 1133 1327 2273 2291 1 1 1 1092 1474 1472 1 1599 1309 1014 2449 2462 2151 1606 1392 1270 1 1 1 1 1 1 1 1 1 1 1 1 1053 1 1 1 1 1 1 1 2297 2632 2072 2037 1 1 1 1 1635 1679 1574 1249 1 1 1 1 1 1 1 1 1 1 473.2837 *473.7901* C12 H Cl3 O8 S3 4326 4392 4573 4258 4828 4270 4087 5222 4312 4529 4169 4161 4409 4104 3977 3945 4413 3829 4178 4363 4799 4266 4491 4342 3975 3956 3707 4065 4299 4050 4105 4480 4863 4600 4640 4180 4476 4344 4688 4335 4073 3995 4327 4148 3916 4230 4784 4189 4246 4306 4062 4524 4427 4177 4255 4612 4184 4242 4520 3880 4085 4120 4172 4167 4043 3995 3652 1 1 4303 4032 4077 4405 4326 4007 4211 3900 5286 4358 4477 4133 3865 4451 4029 4076 3987 3861 3405 4143 3574 473.7901 *474.3131* 474.3131@5.1344476 1 1 1 1 1 1 1551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1736 1 1 1 1 1 1 1 1 1 1 1 474.3131 *474.3561* 474.3561@4.925254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12445 9900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.3561 *475.2991* Netilmicin 47910 49650 1353 1269 79895 81134 64560 68318 66496 68912 64703 1048 110784 111695 47987 47133 299163 298316 66834 64954 45944 45114 47015 45854 74832 74989 132483 132004 74013 73121 1196 96667 40841 40661 53255 55368 65170 65320 58014 55747 56895 58256 81329 81936 95254 88111 53361 53519 43702 42878 30753 33081 54198 54256 33839 34386 38093 39670 35423 34357 73982 73053 44866 44508 55808 56834 26317 26694 84778 84552 80304 1272 38320 39604 35871 37667 78064 81732 145513 145794 39636 38142 34269 32734 46469 46799 36251 32727 37698 37727 475.2991 *475.2991* 475.2991@4.8103228 1 1 116921 115922 1 1521 1 1 1 1 1 66608 1 1 1 1 1 1 1 1 1350 1 1 1 1 1 1 1 1 1 93921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1553 1 1 1 1 1 1 1 1 1 1405 1 1 1 1 80326 1 1 1672 1 1 1 1 1 1 1 1 1 1 1 1 2719 1 1 475.2991 *475.2991* 475.2991@4.3965154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1840 1783 1315 1 1 1 1 1 1 1 1223 1 1 1 1 1 1 1 1 1 1 1 475.2991 *475.3589* 475.3589@4.9154463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 475.3589 *475.3702* 475.3702@13.444843 1 1 1 1 1 1 1 1122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 475.3702 *475.5501* 475.5501@4.7714057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 475.5501 *475.7776* C11 H2 Cl2 O7 S5 2199 2700 3103 2481 2401 1 2384 3662 2166 2560 3490 2314 2266 2521 2532 2493 2283 2695 2448 2605 3777 2377 2491 2874 2251 2326 2265 2420 2350 2570 2199 2848 2551 2299 2530 2423 2441 2607 2651 2414 2570 3496 2732 2648 2117 2104 2464 2558 1 2515 2307 2272 2667 2210 2256 2406 2052 3169 2312 1 2114 2341 2306 2520 2399 2557 2077 3126 3104 2235 1 2174 2327 1 2101 2324 2476 2212 2531 2449 2160 2557 2439 1 2383 2213 2383 2286 2541 2282 475.7776 *475.8982* C14 H4 O15 S2 1 1732 1909 1499 1710 1 1 1666 1733 1 1370 1421 1 1877 1500 1632 1 1577 1 1704 1 1 1554 1686 1513 1532 1 1 1 1 1 1 2002 1602 1596 1689 1597 1623 1 1471 1 1 1488 1596 1 1638 1547 1 1 1591 1638 1549 1783 1 1582 1 1552 1728 1 1 1798 1 1 1 1658 1541 1 1600 1 1 1657 1620 1645 1 1695 1489 1352 1678 1512 1553 1 1 1780 1 1 1689 1 1 1810 1 475.8982 *476.2581* 476.2581@6.1235957 1 1 1282 1467 1 1 1 1041 1 1 1307 1429 1 1 1 1 1 1 1936 2157 1 1 1 1 4168 3975 1 1 1 1 9942 9001 1 1 1 1083 1 1 1799 1385 1 1 1441 1570 3457 3466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5195 5859 1 1 1318 1257 1 1 9666 9937 3298 3530 1 1 1 1 2450 2670 1 1 1 1 1 1 1 1 1 1 1 1 476.2581 *476.3535* C27 H48 N4 O S 1 1574 1828 1284 1 1143 1 1572 1 2381 1 1 1604 1349 1 1196 2760 1240 1705 1023 1 1 1 1 1545 1459 1452 1 1 1 1 1335 2626 1 1 2450 1 1 1598 2307 2540 1 2022 1478 1 1 1 1 2258 1 1104 1 3085 1 1 1 1 1 1 1 1083 2270 1 1 2138 1 2717 1 1360 1 2757 1 2750 1406 2269 1 1331 2104 1 1 2307 1 2286 1835 1 1199 2960 1 1 2188 476.3535 *476.3611* 476.3611@13.981451 1 1 1 1 1 1 2325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 476.3611 *477.1989* 477.1989@4.6181126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7769 7892 5371 5451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11211 11595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 477.1989 *477.8344* 477.8344@0.8536759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2849 2716 1 2504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 477.8344 *477.8357* C13 Cl2 N2 O10 S2 7272 6885 6429 6349 1 6434 7100 7123 1 6971 6863 6549 6912 7020 7204 7150 6785 6819 6864 6460 7131 6686 6452 6458 6954 7181 6752 5921 6574 6782 6378 6654 6707 6693 6681 6567 6659 6535 7708 6285 6426 6514 6854 6695 6383 6668 6600 3978 4048 6307 4234 1 6502 6566 6605 6959 6888 6675 6480 5700 6733 7298 6644 7185 6777 6550 3696 6249 6426 6844 6571 6827 6230 6828 5926 6139 6680 6235 6528 6144 6412 11292 6836 6174 6025 6310 1 1 6696 6726 477.8357 *477.9678* 477.9678@6.449936 1 1 2682 2350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1036 1172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 477.9678 *478.3043* 478.3043@6.4502144 1 1 1478 1504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 478.3043 *479.307* 479.307@12.376307 1 1261 1742 1 1 1888 1 1 1931 1 1713 1 1832 1740 1773 1 1719 1 1445 1901 1 1735 1494 1 1 1906 1606 1 1991 1761 1 1 1 2147 2053 1 1 2264 1 1 1295 1490 1669 1449 1915 1 1667 1 1401 1326 1323 1294 1 1 1419 1 1 1 1149 1 1563 1360 1 1 1 1 1 1476 1 2012 1 1748 1 1 1453 1 1409 1 1 1885 1 1 1511 1 1 1 1576 1136 1 1987 479.307 *479.31* 479.31@12.236888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1973 1 1 1 1 1 1 1 1 1771 1 1 1 1 1 1 1 1 1 1 1 1996 1 1 1 1 1 1 1 1209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1225 1 1 1 1 1 1 1 479.31 *479.3282* 479.3282@11.984136 1 1 1 1 1328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 479.3282 *479.3287* C17 H41 N11 O5 10580 3039 12517 4724 5720 10757 12140 12159 12700 12789 13470 12985 11838 6528 14848 11679 12118 12105 13224 13762 13593 11844 3197 14133 12475 13995 12352 11804 13766 11678 11874 12467 12855 4757 13262 12782 13356 13997 11322 13591 13952 12562 13343 13270 13027 12996 9422 10508 12632 11922 12136 1 11651 5688 12266 12642 4928 12018 12164 11339 10319 10014 11546 11825 11654 10977 11820 11284 12209 10904 11484 9786 11397 10921 1 11741 10438 1 2739 10789 11387 9337 11179 10167 10803 10347 10909 9042 10968 8863 479.3287 *479.3291* 479.3291@11.910324 1 9305 2155 7528 6841 1 1 1 1 1522 1 1 1255 7338 1 1 1 1 1 1 1 1 1 1 1 1 1233 1 1 1 1 1 1540 8964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11283 1 7226 1 1 6186 1307 1 1494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10412 1 1 8766 7725 1 1 1 1 1 1 1 1 1 1 1 479.3291 *479.3579* C24 H53 N3 O2 S2 4289 4930 4610 4279 4129 3839 3978 3983 4347 4068 1 3643 3998 4124 3396 3800 4536 3998 3883 3907 4343 3913 3638 4513 3570 4006 4142 3989 3974 3870 3747 3285 3645 3886 3164 3592 3950 3730 3166 3282 3569 4378 3352 3702 3951 4298 3352 3744 3155 3572 3120 3655 3409 3353 3425 3486 2862 2740 3355 3541 2851 2418 3247 3208 3229 2358 3219 2556 2490 3314 3068 2616 3449 2998 2962 2950 2893 2684 2372 2477 2340 2245 2395 2651 2761 2741 2786 2506 2817 2573 479.3579 *479.7437* 479.7437@0.8350072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 479.7437 *479.7938* 479.7938@5.898974 1 1 9149 8852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4517 1 1 1 1 1 4341 4240 1 1 1 1 1 1 1 1 1 1 1 1 479.7938 *479.829* 479.829@0.85883474 2658 1 1 2143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2716 1 1 1 1 1 2708 1 1 1 1 1 1 1 1 1 1 1 1 3098 1 1 1 1 1 2361 2669 1 1 2896 2878 1 1 2695 1 2537 1 1 1 1 1 1 1 2504 1 1 1 1 1 2148 1 1 2861 2551 2367 1 1 5326 1 1 479.829 *479.8301* 479.8301@11.855095 5622 5393 5033 1 5360 1 1 1 1 5355 1 1 5637 1 5215 5521 6109 6092 1 5939 5230 5821 6460 5783 1 1 1 1 1 1 1 1 5375 5985 1 2248 6322 5759 1 1 5655 5701 1 6414 5351 1 5357 1 1 4568 5358 5158 5471 5050 1 1 1814 1 1 1 1 5343 1 1 1 5261 1 1 1 4450 1 1 1 4949 4821 4075 1 1 4426 4540 1 1 1796 1 1 1 1 1 4134 4243 479.8301 *479.831* C19 H3 Cl3 O3 S3 1 1 1 5440 1 5604 6028 5914 4888 1 5375 5647 1 6011 1 1 1 1 6040 1 1 1 1 1 6005 6426 5479 5259 5246 6174 5924 5818 1 1 5754 3210 1 1 5969 6091 1 1 5520 1 1 5634 1 5752 5219 1 1 1 1 1 5335 4879 1532 4475 4940 5429 4522 1 4779 4860 5276 1 4967 4717 4743 1 5252 4739 5365 1 1 1 4571 4846 1 1 4778 5257 2875 4088 4511 4965 4831 4388 1 1 479.831 *479.8347* 479.8347@0.8190113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 479.8347 *479.8368* C16 O10 S4 3169 1 5685 2805 5825 5004 5944 5630 5795 5321 6335 5651 4972 5601 5510 5623 5861 1 5808 1 5072 5563 5051 4563 5870 1 4998 5110 5500 5324 1 6084 1 1 1 5304 2964 5661 5563 4663 5355 5315 5547 5304 4975 5253 5660 5482 5416 1 5636 1 5960 1 5686 1 2867 5903 5374 2709 1 5902 1 2611 5538 1 4959 5287 5193 5136 1 1 5527 2787 5106 5305 5414 5036 4947 2795 5610 1 1 2791 2630 4992 5782 1 1 4740 479.8368 *480.3287* 480.3287@11.840942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2099 1 1 1 1 1 1 1 1017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 480.3287 *481.2486* N-acetyl-LTE4 8760 7979 8706 7724 6855 8182 8128 7359 4848 7858 7338 7612 6870 7076 7532 6766 7493 8298 7924 7424 6992 4567 6856 7075 7293 7251 6893 5856 6609 6864 6217 6372 6219 6998 6717 6536 6447 6458 6425 5177 7551 7016 6295 7051 6760 7037 5504 6200 6824 5827 5425 6208 6897 6163 5336 6507 6295 6163 5913 5648 5859 5805 6063 5752 5361 6251 4843 5577 4204 4757 4719 2810 4951 3758 5810 5321 5460 3193 5579 5124 5209 4935 5427 5203 5129 5550 4892 4748 4744 4711 481.2486 *481.3596* 481.3596@11.9552355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 481.3596 *481.395* 481.395@13.300281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1396 1 1 1 1 1 1055 1 1 1 1 1 1 1219 1 1 1457 1 1 1 1 1 1168 1025 1 1 1 1 1 1 1 1 1 1 1 1 1154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 481.395 *481.8237* 481.8237@0.8591486 3992 3785 3157 1 1 1 3469 1 1 1 6404 1 3599 1 3260 3219 5935 1 1 1 1 3694 1 1 1 1 1 5310 5657 1 1 1 3401 1 1 1 1 3913 1 1 5766 1 1 1 3207 1 3966 6084 1 4006 3528 3529 1 1 1 1 3175 1 3580 1 1 5671 5915 1 1 3540 1 1 1 3751 3120 1 1 3542 1 1 1 1 3422 1 3356 5418 1 1 1 1 4424 1 3032 1 481.8237 *481.8259* C20 Cl2 N2 O S4 2618 2466 1 5719 6045 1 2494 6232 6160 6137 1 1 1 5740 2684 1 1 1 5876 5525 5781 1 5354 4926 5921 6088 5879 1 1 6094 5668 5573 2413 5977 1 5487 1 1 5769 5402 1 6075 1 5963 2361 5667 1 1 5827 1 2284 2525 1 5889 5835 5915 2558 5868 1 5595 6541 1 1 5582 1 1 5553 5187 5723 1 2158 5287 5543 1 5966 5795 5469 5193 1 5414 1 1 5803 5093 5529 1 2419 1 1 1 481.8259 *482.2645* C24 H47 Cl O3 S2 1 1245 1261 1351 1242 1237 1 1109 1488 1480 1321 1422 1 1396 1354 1202 1852 1 1430 1 1 1 1 1207 1086 1028 1606 1360 1 1 1011 1266 1151 1523 1 1239 1234 1 1351 1252 1607 1124 1126 1 1 1 1 1 1132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.2645 *482.3693* 482.3693@13.212914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7146 1 2036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.3693 *482.3698* C23 H46 N8 O3 3087 13001 15077 12547 9123 8787 15544 4686 13534 13475 14881 12651 15376 14382 1 17361 2547 1 1 1 14459 15241 14396 14204 7897 15402 3895 12825 1 14566 14013 7260 1 5600 14220 10728 1 16566 13921 5215 12278 15506 1344 2065 13433 7446 13353 1 13348 12554 1 12801 12049 1 12815 1 6056 1 12430 1122 1442 11974 4783 12844 1582 11924 12654 7872 12744 1 10600 1 11780 11855 10864 1 1 10062 7226 9765 11202 11920 11339 1 11601 11241 10941 12657 1 4430 482.3698 *482.3702* 482.3702@13.252439 10782 1 1 1 4078 4452 1 9659 1 1 1 1 1 1 11713 1 11221 15212 15459 7621 1 1 1 1 3356 1 10549 1306 3860 1 1 5105 14340 9150 1 1 14926 1 1 6663 2104 1 12745 10389 1 9868 1 11750 1 1 10675 1 1 11801 1 11381 3167 12481 1 10677 2945 1 5586 1 8616 1 1 1 1 11804 1 10088 1 1 1 12131 12149 1 4499 1 1 1 1 10910 1 1 1 1 11636 6299 482.3702 *482.8714* C15 H11 Cl2 N O3 S5 6274 7702 6951 6804 7196 6744 6759 7324 7259 1 7154 7031 4510 6942 1 1 1 1 1 4043 6158 7178 5404 7230 6651 7210 4086 2499 7696 6332 1 1 7536 4445 6446 1 7957 7329 1 6522 2932 3835 4001 1 1 7664 6019 5735 6211 5719 5482 1 6325 1 6343 4316 1720 5401 6119 4219 5348 5443 5203 5525 4289 5743 1 5455 4326 5078 4838 4796 4313 5139 5170 5704 5047 5171 5145 4442 5626 5789 1 1 4821 5596 4904 5379 3929 1 482.8714 *482.8723* 482.8723@13.262059 1 1 1 1 1 1 1 1 1 7531 1 1 2348 1 6603 7145 6394 5421 6757 1 1 1 1 1 1 1 3129 5029 1 1 7628 7703 1 2413 1 7189 1 1 6946 1 4014 1 2253 6601 6815 1 1 1 1 1 1 6074 1 5807 1 1 2543 1 1 1 1 1 1 1 1 1 5285 1 1904 1 1 1 1 1 1 1 1 1 1 1 1 1 5465 6110 1 1 1 1 1 5162 482.8723 *483.3716* 483.3716@13.253858 1 1 1 1 1 2222 1 1 1 2231 1 1 1 1 1781 1 1 1 1 1 1 1 1 1 2296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1922 1 1 1196 1 1 1 1345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 483.3716 *483.8177* C15 H Cl N2 O5 S5 2540 2889 2791 2401 2502 4924 4807 4828 2013 4927 5121 1 4585 4490 2686 4363 4663 4912 4209 5145 4698 1 1 2613 4884 4892 4279 4049 4792 4363 4661 4185 4334 4998 1 1983 5074 5138 2844 1 2771 4602 4424 4846 4313 4317 5086 4996 3104 4886 1939 2827 3313 3094 4740 3118 2990 4463 4832 1 2794 5233 4598 4739 4335 4436 2083 1 1 4805 2381 2454 4456 2890 4705 1 2854 4367 4334 4211 4648 2610 4656 4596 1 3983 5095 2064 4526 4402 483.8177 *483.8191* 483.8191@0.8269995 2072 2387 1 2403 2098 1 1 1 1 1 1 1 1 1 2074 1 1 1 1 1 1 1 1 1847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1926 1 1 1 1 1 1 1 1 1 1 1697 1 1 1 1 1 1 1 1 2063 1 1 1 1 1 2174 1 1 1 1995 1635 1 2059 1 1 1 1 1 1 1 1 1 1 1 1 1 3296 1 1 483.8191 *483.9053* 483.9053@0.80301446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1614 1 1 1 1 1 483.9053 *484.1056* 484.1056@12.749337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1017 1 1 1 1 1 1 1 1 1 1 1 1 1 1151 1 1 1 1 1 1 1 1 1 1 1314 1 1 1 1 1 1 1 1 1590 1 1 1 1 1 1 1 1 1 2242 1 1 1 1 1838 1 1 1 1 1 1338 1347 1907 1 1 1186 1 1979 1550 1410 1 1 1 1 484.1056 *484.3034* C27 H40 N4 O4 1 2655 2555 2359 2563 1 1 2225 2544 2458 2369 2034 1 2504 2822 1022 1642 1380 1 1 2363 2157 1 2469 1 2223 1201 1 1509 2687 2136 1 1 1 1 1 1748 2544 1517 2068 2453 1 2535 1 2487 1 1402 1 2592 2416 1279 2359 2420 1225 2342 1 1 2091 2477 1 1302 1 2286 2231 1 1 1 1 1 1 2489 2319 1 1807 1 1 2426 2284 1237 2024 1 1510 1 1 1 1570 1 1 1947 1 484.3034 *484.3071* 484.3071@12.373871 1 1 1 1 1 1 1 1 1 1 1 1 2361 1 1 1440 1 1116 1 1 1 1 1 1 1 1 1 1 1089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1251 1 1 1 1074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1200 1 1 1 1 1 1 1201 1 1 1 1 1 1016 1079 1 1 1 1046 1 1 1 1 484.3071 *484.347* C33 H44 N2 O 2227 1908 2333 1894 1921 2251 2200 2089 2123 2547 2618 1898 2195 2289 2200 2162 2279 2514 2493 2296 2141 2155 2163 2431 2072 2314 2023 1807 2273 1855 2215 2336 2232 1827 2486 1979 2419 2073 2230 2269 1890 2216 2031 1889 2050 1867 1 2135 1 1916 1 1 1864 1 2330 1819 2066 1947 1519 1918 1 1950 1668 1700 1537 1510 1555 1858 1974 1965 1822 1 1743 1 1589 1669 1098 1695 1590 1724 1686 1599 1593 1485 1 1274 1238 1605 1761 1594 484.347 *484.3504* 484.3504@3.432102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1025 1 1 1 1 1 1 1 1 1 484.3504 *484.3507* 484.3507@3.7911081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 484.3507 *484.8504* 484.8504@12.316867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1065 1 1 1 1 1 1074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 484.8504 *485.7993* 485.7993@0.8494909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 485.7993 *485.8073* C12 H3 Cl O9 S5 2503 2283 2051 2188 2387 2523 2519 2083 1 2315 2477 2439 1 1 1303 1 2279 2430 2677 2293 1 2142 2241 1 1 2191 2216 2243 2239 1 2155 1 2324 2431 2331 2242 2331 1 1 2117 1180 2187 2442 2267 2433 1 2295 2218 2339 1 2327 2331 1432 1 2269 1 1 2419 1 2436 1 2241 2255 2314 1 2149 2145 2065 2269 2130 2298 1 2246 2251 2106 2361 2024 1 1 2247 1 1 1 1932 1293 1361 1167 2422 2239 2037 485.8073 *485.8148* 485.8148@0.8335154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2351 1 1 1 1 1 1 1 1154 1444 1 1 1 485.8148 *486.1708* 486.1708@1.2276808 8955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8751 1 1 1 1 1 1 8468 1 9031 10733 1 1 1 1 1 1 1 1 1 1 1 8762 1 1 1 1 1 1 1 1 1 1 1 1 1 6627 1 1 1 1 1 1 7393 1 1 1 10082 1 1 1 1 15676 15247 1 1 1 1 1 9641 1 1 1 1 486.1708 *487.3508* 487.3508@11.563074 1 1 1 1 1 1 1 1 1 2745 4045 2559 1 1459 2084 1 1 1 1 2745 78877 79357 1 3374 2030 82788 1 4196 1 1 1 1 2259 1 1 2242 2755 1 1 1 1 1 1 2843 1 1 1 2822 1 1416 1 1 1 7208 1 1058 2313 1715 1 1 1 1 1 1 2672 1 1 1 1 1 1 1 2569 49556 1 2044 1 1561 2996 1 1 3389 1 1 1 2825 1 1 1 1 487.3508 *487.3508* 487.3508@11.588808 1 1 1 1 1 1 1 1 1 1 1 1 1 1675 2743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3844 1 1 1103 1 1 1 1 1 1 1 1 487.3508 *487.3511* C26 H49 N O7 84076 82168 80553 88026 81459 81835 81253 81695 84907 85447 82181 81071 82929 84323 80868 81371 79566 78027 79261 82363 2062 3567 75946 80563 82000 1968 81204 81255 80332 80537 81838 80727 80217 83098 80586 77693 78785 80862 80100 78749 78357 79614 79196 76920 73830 62432 55536 54653 47885 50764 52277 49310 51260 45836 47639 52152 48586 50651 51330 48324 48964 46783 49380 50863 47867 48544 50779 48442 48685 48202 46216 49507 50431 1556 49764 49608 46990 50607 47897 47607 45359 47774 50168 47218 49485 47020 49486 48803 48499 47563 487.3511 *487.8516* 487.8516@0.8552907 1 1 1 1 1 1 1172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1229 1 1119 1 1 1183 1 1 1 1 1 1073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1180 1 1 1276 1 1 1 1 1 1 1 1140 1431 1289 1273 1 1 1092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 1 1 1 1113 1 1 487.8516 *487.8593* 487.8593@0.8539993 1 1 1 1 1 1 1 1 1 1 1 1 1268 1096 1 1214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1027 1 1 1 1 1 1 1 1202 1 1 1172 1 1 1328 1 1 1 1 1 1 1 1 1 1 1123 1 1 1169 1 1148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1253 487.8593 *487.8635* C19 H5 Cl N2 O2 S5 5781 5572 5580 4444 4876 5418 4310 1 4232 4905 5658 4214 4010 4009 1 4303 5462 4773 4962 4453 4478 4265 3770 4439 4619 5177 5269 4225 5741 1 4307 5412 5217 4584 5405 3577 3421 4084 5677 3886 3983 5068 3732 3953 1 4430 5668 4196 3770 5091 4403 4429 5293 3975 1 5269 3810 5383 4751 3708 4466 4006 3894 4536 4227 4060 3939 4100 4505 3854 5021 4971 5106 5227 5044 1 4553 3781 4899 4097 5112 4941 4567 3369 3864 3754 5389 4034 4127 4024 487.8635 *488.0843* 488.0843@4.1981597 1 1 1 1 1 1 1 1 1 1 1 1 1385 1527 1 1 2112 1888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.0843 *488.3075* 488.3075@5.525755 1 1 1894 1551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.3075 *488.3078* C13 H40 N14 O4 S 7683 7992 42846 42988 14579 14980 12855 11955 12223 11721 10520 11001 18298 16738 7594 6994 8454 8726 11600 12077 7020 7930 6320 6839 23568 23620 10485 9625 8120 8796 30270 29729 7309 6710 8383 7951 14246 14215 10598 9489 10156 10595 15600 16163 30124 27132 11146 11499 6859 7616 5016 4662 11401 11552 5422 5040 5614 6161 4849 4682 9846 9843 9266 10005 11445 11098 4332 4799 30798 30938 24217 25759 6155 5691 6035 6160 22807 23088 13139 12605 6031 5427 5262 5585 7608 8592 5717 5381 4593 4438 488.3078 *488.352* 488.352@11.480496 1 1 1 1 1 1 1 1 1 1 1624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.352 *488.7866* 488.7866@7.0078692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1065 1105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.7866 *488.8094* C18 Cl N O4 S5 2852 2884 19009 19633 6386 6691 4838 5408 4882 4570 5165 4436 7642 7404 3067 3008 3372 3758 5029 4815 3556 3642 2924 3072 10298 10143 4003 4287 3865 3377 13078 12815 2817 2857 3707 3243 5283 6593 3818 3704 4148 4254 5979 6548 13324 12014 5081 4623 3253 2976 2018 1502 4905 4455 2329 2021 2067 2419 1 2178 4677 4149 3560 3674 4963 4760 2146 1880 14668 13898 10968 11258 2539 2257 2542 2349 10085 8844 4821 5446 2440 2295 2368 1 2938 3416 2367 1976 2131 2028 488.8094 *489.1715* 489.1715@2.977623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1445 6533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 489.1715 *489.2782* C13 H32 Cl N19 5059 4801 7534 8792 6874 6554 5905 5939 5551 5345 6215 7039 27335 26549 3868 4706 181918 179985 7757 8215 5327 5431 4457 4436 5681 5734 7370 7128 12691 11904 5903 5887 3654 3520 4927 4773 5126 5017 4947 5015 4733 4699 9363 9398 6373 5994 4897 5067 4666 4598 2623 2864 3711 3345 2913 2894 3417 4139 3205 3236 19866 20230 4143 3939 3639 4452 2508 2336 5750 6178 6059 5789 3909 4098 3282 3419 4956 5432 15826 16828 3561 3839 2744 2530 4410 4926 2918 3238 7924 8257 489.2782 *489.3133* 489.3133@5.332074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1438 1123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 489.3133 *489.3566* 489.3566@11.429616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 489.3566 *489.8536* 489.8536@0.8496661 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 489.8536 *489.8627* 489.8627@0.8217571 1 1 1621 1 1 1 1 1 1 1 1803 1 1 1 1 1 1 1 1921 1 1 1536 1 1 1 1 1 1 1 1611 1 1750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1679 1 1 1 1 1 1 1 1 1 1 1793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 489.8627 *489.872* 489.872@0.8144999 1 1 1 1 1 1 1 1 1 1 1 1 1831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 489.872 *490.1671* 490.1671@2.9871266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2186 1844 490.1671 *490.3292* 490.3292@5.0010796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.3292 *490.3328* 490.3328@4.945387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3198586 3195940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10391 26423 1 1 1 1 1 1 1 490.3328 *490.3677* 1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / 1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c 40153 43250 42986 41648 46432 43616 42287 45172 43016 42613 44287 41450 43662 40213 43596 42886 39893 39584 42661 42234 40862 41886 43785 47528 47662 43500 43960 41192 43786 42826 44825 42878 42310 42874 45051 41704 43841 41618 43945 43038 45526 42224 42824 40910 51704 34281 43047 40531 44082 42379 39568 41084 37385 37722 40142 39167 38170 40919 36692 39916 38532 40367 40358 36482 39546 40377 37874 41594 41714 40764 37670 37653 40038 39616 38324 40125 39837 36159 38846 40003 36476 38582 39539 41219 39887 38516 42517 38438 40662 37033 490.3677 *490.3683* 490.3683@14.655561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1734 1 1 1 1 1 1 1 1 1 1 1 2215 1 1 1 1 1 1 1 1 1 1 1 1 1 9469 1 1 1 1 1 1 1 1 1 1 1654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.3683 *490.37* 490.37@14.699964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1420 1 1 1 1 1 1 1 1 1476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.37 *490.8597* 490.8597@4.9080515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.8597 *490.8693* C18 H4 Cl3 N5 S3 21526 22233 22457 24259 23026 21052 2865 20583 23818 21991 22670 20813 21158 23835 1328 23094 23253 21491 22338 20658 21298 22132 22183 20621 22014 23386 21815 22884 22826 22909 22973 22641 20868 23559 21935 21090 21426 22251 23572 22499 24109 21769 23005 17744 26771 22786 22115 20316 22050 20329 19749 20542 20111 21778 19551 20036 18957 19645 20906 18387 19694 18621 21143 20618 19920 20961 20734 18195 20767 19521 18357 18910 18589 21556 19758 19205 19510 20249 19904 20022 20092 20750 18821 17640 20884 21043 20267 20872 16482 19761 490.8693 *490.8694* 490.8694@14.620646 1 1 1 1 1 1 21667 1030 1 1 1 1406 1 1 21785 1 1 1 1 1 1 1893 1043 1 1 1 1 1 1 1 1 1 1 1 1 1 1079 1 1 1 1 1 1 3664 1 1 1 1 1 1 1 1 1 1 1 1 1581 1 1 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1 1 2363 1 1 1 1 1 1 1 1 1 1 1 1 3424 1 490.8694 *490.9341* 490.9341@4.915054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.9341 *491.3309* 491.3309@5.0470934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 491.3309 *491.3909* 491.3909@14.653574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2246 1 1 1 1 1 1 1 1444 1 1 1 1 491.3909 *491.3944* 491.3944@14.378952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1591 1 1 1 1 1 1 1 1 1 1 1 1 4302 1 1 1 1 1 1 3089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1962 1 1 1 1 491.3944 *491.3951* 491.3951@14.127229 1 1 119281 1 1 1 125109 1 1 1 129822 1 121622 122373 1 1 1 1 1 1 1 1 1 1 1 1 1 123236 1 122974 1 129711 1 1 127391 1 1 1 1 1 1 121605 122409 1 123301 1 129458 122418 134049 128407 1 1 133782 1 129879 1 41987 1 134028 136514 1 1 1 1 128820 1 1 1 1 1 132945 134423 1 1 1 131815 134349 1 1 1 1 1 1 1 1 1 1 132278 1 125264 491.3951 *491.7288* 491.7288@4.94446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 491.7288 *491.7345* 491.7345@4.9134455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 491.7345 *491.7989* 491.7989@4.92345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 491.7989 *491.8403* 491.8403@0.8809822 7188 6660 5970 6374 7949 19881 29185 7231 6430 6576 6440 6545 6362 6300 6377 6634 6751 24179 5946 5496 6997 6809 6690 22021 6580 6293 7055 6389 6709 6576 7115 6266 6032 6284 6625 6539 6410 6479 6522 6223 6085 20975 6978 7037 7217 6438 18856 18021 7261 6900 7439 7060 7725 7264 6023 6589 6503 6664 6933 6777 6998 16817 6070 5768 6543 6515 6328 6392 6112 5831 6463 5729 7128 19141 5990 6138 6281 5841 6030 5956 5984 6441 24176 7009 6212 5729 5733 6168 6593 6581 491.8403 *491.8546* C13 H7 Cl3 O10 S2 2530 2671 2485 1 1 2812 2600 2955 2835 1 1 1 1 2725 2708 2538 2542 1 2805 2425 1 1 1 2650 2475 2096 2354 2660 1 2357 2614 2304 1 1 2216 2212 2274 2336 1 1 2420 2711 2389 2791 1 1 2185 1 1 1 2383 1 2573 2546 2640 1 2396 2764 1 1 1 2508 2628 2374 2437 2798 2593 2399 1 1 2694 2316 1 1 2439 2106 1 2378 1 1 2327 2276 1 2244 1 2202 2311 2517 2392 1 491.8546 *491.8711* 491.8711@14.53049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1230 1 1 1 1 1 1 491.8711 *492.0194* 492.0194@4.916054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 492.0194 *492.3073* 492.3073@11.417615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 492.3073 *492.34* 492.34@11.117719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4592 4256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 492.34 *492.3982* 492.3982@14.172594 15671 1812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2825 1 1 1 1 1 1 1 1 1 1 492.3982 *492.9792* 492.9792@6.492712 1 1 1371 1175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 492.9792 *493.397* 493.397@14.21605 1 7486 1 7709 7936 5795 1 1 1 1 1 1 9421 7879 1 8334 7038 6508 1 1 5890 7792 1 7302 1 8130 1 1 8923 1 1 1 8052 1 1 1 1 1 1 1 1 6598 1 1 1 1 7897 1 1 7781 1 1 9308 1 1 8172 1278 7240 1 1 1 1 1 1 6596 1 1 7146 7755 1 1 1 8687 1 7608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.397 *493.3982* C20 H51 N11 O S 7404 1 6627 1 2842 4663 7583 8069 6611 7758 8508 8466 3537 3714 9952 3869 3296 1592 7893 6371 2889 1 5838 1575 6972 3949 8553 1 1 6511 6323 7987 3813 7860 7005 7573 5881 6094 1 8443 7067 3700 8603 8047 8367 8196 4801 7898 7976 4595 7972 7862 2601 8062 8225 1 3483 3087 7340 8546 6873 7232 6877 6105 1 8857 7746 3185 1 8342 7723 7631 1019 7875 2784 8783 7684 8322 8532 8142 5963 8182 7837 7573 6667 7225 7279 7697 7479 8173 493.3982 *493.5568* 493.5568@14.196512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1311 1 1 1 1 1 1 1 493.5568 *493.5577* 493.5577@14.341886 1 1 1 1 1 1 1 1 1 1 11102 1 1 1 6178 11023 1 1 1 1 1 1 1 1 16168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.5577 *493.5577* 493.5577@14.404414 1 1 1 1 1 1 1 1 2044 1 1 1 1 1 8799 1 1 1 1 1 1 1 1 1 3745 1 8712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8769 1 1 1 3169 1 1 1 1 1 1 1 1 8413 1 1 1 1 1 1 1 1 1 1 1 1 6385 1 1 1 8935 1 1 11037 1 1 1 1 493.5577 *493.5582* 493.5582@14.306248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5128 5589 1 1 2895 1 1 1 1 1 1 1 493.5582 *493.5584* 493.5584@14.230774 1 1 1 1 1 1 1 1 11057 1 1 1 1 1 1 5265 1 1 1 1 1 1 1 1 1 1712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7327 1 1 1 1875 1 1 1 1 1 1 1 1 7862 1 1 1 1 1 1 1 1 1 1 1 1 7273 4666 1 3847 4449 1 1 1 1 1 1 1 493.5584 *493.5589* 493.5589@14.299132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4016 1 1 1 1 1 1 8808 1 1 1 1 493.5589 *493.836* C11 H8 Cl2 N2 O6 S5 9461 15131 14970 14833 17880 1 1 17797 15294 15669 8484 14671 15895 15485 15877 8648 17138 1 14243 8546 16233 17183 8658 1 9138 14855 16147 15167 9177 15278 16329 16712 8654 14890 17332 17338 9401 15409 15405 14818 14437 1 16275 16085 9462 16109 1 1 17021 17526 15913 16708 20042 18894 8563 14574 17034 19224 16728 16963 15716 1 8515 13666 15857 15615 9982 16346 14875 8218 13919 8529 18183 1 15418 15304 14512 8650 7691 13125 8629 14642 1 16607 13684 13942 13873 14203 16274 15677 493.836 *493.8465* 493.8465@0.8161769 1 1 1 1 1 1 1 1939 1 1 1 1 1 1 1 1 1773 1 1 1 1 1 1 1 1 1 1 1 1618 1 1726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1579 1 1 1 1 1 1 1 1 1 493.8465 *493.8504* 493.8504@0.81489867 1 1907 1 1 1 1 1 1 1 1600 1 2241 1 1 1 1841 1 1856 1 1966 1 1 1628 1 1935 1586 1846 1 1 1 1 1 1 1666 1821 1455 1926 1741 1 1701 1 1 1668 1972 1750 1928 1584 1 1578 1777 2017 1676 1 1 1698 1604 1 1 1867 1 1 1 1 1 1 1547 1815 2106 1 1 1633 1 1856 1 1888 1 1 1 1 1 1 1 1632 1 1 1 1831 1 1968 1559 493.8504 *494.0594* 494.0594@0.8500107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.0594 *494.33* 494.33@14.078601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1340 1 1 1 1 1 1 1 1 1 1 494.33 *494.3339* C23 H42 N8 O4 10465 10014 10214 10368 10673 9936 10642 10481 9817 9969 9858 11254 10373 9224 9545 10012 9247 10397 9646 9018 8900 9218 9952 9501 10259 9534 9315 9962 8945 9805 8601 9428 9305 8874 9505 8703 8538 9052 8962 8533 8692 8921 8915 8315 8983 7983 7799 7422 8342 7630 7236 7929 7499 7448 7126 5908 6453 7264 6638 7381 6524 7154 6783 6871 6866 6731 6825 6145 6712 6170 5987 7147 6325 6391 6640 5971 6250 6488 6093 5953 6055 5713 6022 5962 6607 6217 5494 5860 5930 5847 494.3339 *494.3854* 494.3854@14.216255 1 1 1 1 1 2162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2503 1 2511 1 1 1 1 1 1 2594 1 1 1 1 1 1 1946 2380 1 1 1 2537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.3854 *494.3888* 494.3888@14.219734 1 1 1 1 1 1 1 1 2130 1 1 1 1 1 1 1 1 1 1 2370 1 1 1 1 1 1 1 1950 1 1 1 1 1 1 1 1 1 1 1842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.3888 *494.561* 494.561@14.360228 1846 1 2772 1 1 1342 1 1 1 1 1 1 1 1571 1 1 1 1 1 1 1 1 1 1 1838 1 1 1393 1 1536 1 1 1 1 2384 1 1041 1 1 1 2295 1 1 3798 1 2441 1 1 1 1 1 1 1 1294 1 5316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1997 1 1275 2604 1 1 494.561 *494.5616* 494.5616@14.351859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3054 1 1 1 1 1 1 1 1 1860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.5616 *494.8354* C18 H4 Cl3 N3 S4 4742 4011 4241 4688 4689 4491 4251 4488 4498 4631 4250 4862 4847 3999 4414 4024 4659 3956 4057 4138 4366 4565 4202 4527 4191 4720 4268 3862 3464 4190 4070 4546 4439 3990 4424 4035 3897 3733 4218 3547 4525 3781 3473 3627 3947 3212 3441 3546 3174 3165 2965 3839 3265 3216 3438 3154 2984 2722 2783 2730 2850 2545 2886 2815 3184 2765 2549 3351 3029 2633 3189 2897 2815 2874 2864 2740 2716 2800 2349 2849 2864 2771 2772 2437 2289 2615 2474 2569 2586 2615 494.8354 *495.2961* 495.2961@5.899613 1 1 2398 1933 1231 1207 1128 1 1 1 1 1 1510 1237 1 1 1 1 1261 1 1 1 1 1 1865 1580 1 1 1 1 1453 1457 1117 1 1 1 1 1 1 1 1 1 1887 1904 1543 1276 1 1049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1550 1884 1918 1793 1 1 1 1 1465 1381 1117 1 1 1 1 1 1 1 1 1 1 1 495.2961 *495.3158* 495.3158@5.915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 495.3158 *495.4122* 495.4122@12.267991 1617 1371 1 1 1 1468 1 1 1608 1 1 1 1392 1152 1428 1516 1489 1 1432 1582 1 1 1346 1199 1 1 1 1 1 1 1573 1 1650 1 1385 1465 1 1312 1538 1664 1420 1571 1 1 1 1 1485 1 1 1 1 1 1 1 1 1 1 1327 1 1 1 1 1184 1196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1367 495.4122 *495.4124* C23 H49 N11 O 5660 6216 6479 5964 5954 6201 6346 5765 6164 6035 6336 5975 6487 5968 5805 6100 6345 5889 5937 6201 5703 5828 6215 6584 6212 5678 5867 6281 5880 6041 6794 5827 5722 6207 6252 6253 5854 4536 6235 6452 6097 5727 6184 6475 6247 6152 5784 5747 5483 5392 5719 5986 5672 5747 5140 5375 5709 5679 5739 5441 5547 5455 5082 5570 5811 5642 5843 5008 5463 5663 5488 5554 5732 5292 5293 5421 5797 5157 5186 5281 5217 5343 5380 5115 5784 5314 5393 5252 5481 5135 495.4124 *495.6764* 495.6764@0.84190196 3100 3243 3035 3324 2999 3135 3036 3256 2477 2960 2966 2551 3303 3090 3241 3198 3004 3068 2683 1 2881 3113 3200 3087 3101 2713 2972 2888 3027 2940 3174 3027 3118 3116 3195 2908 2654 3173 2934 2924 2997 2717 3193 2995 2844 3047 2868 2967 3457 3076 2931 2754 3057 2941 2656 2972 3018 3326 3022 2964 2853 1 3072 2958 3000 2611 2851 2890 2817 2830 3185 2940 3016 3147 2867 2931 3055 2895 3124 2678 2956 3113 3182 3037 2684 2753 2594 3001 3199 2781 495.6764 *495.7989* 495.7989@5.904237 1 1 1103 1035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 495.7989 *495.8327* 495.8327@0.879544 6322 1 1 1 1 7188 1 1 1 1 6072 1 1 1 1 8378 1 1 1 5156 1114 1 8414 1 6285 1 1 1 5874 1 1 1 5527 1 1 1 5492 1 1 1 1 1 1 1 5928 1 7085 6852 1 1 1 1 1 1 5518 1 1 1 1 1 1 5836 5251 1 1 1 6463 1 1 5364 1 5279 1 6855 1 1 1 5357 5367 1 5239 1 1 1 1 1 1 1 1 1 495.8327 *495.8472* 495.8472@0.81573427 1 1 1 1012 1 1 1 1080 1 1059 1166 1112 1064 1 1 1160 1 1 1 1 1 1 1 1 1 1 1056 1 1208 1 1 1 1 1 1 1 1123 1215 1059 1 1 1 1069 1084 1001 1 1 1155 1 1 1 1 1 1 1 1242 1 1076 1 1 1 1 1 1 1 1 1 1 1012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 495.8472 *495.8519* 495.8519@0.81366557 1 1 1 1 1058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 495.8519 *496.4111* 496.4111@13.870705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 496.4111 *497.6769* 497.6769@0.8413485 6060 6217 6055 5886 5893 6430 5983 6058 6196 6014 5969 5862 6088 5958 6493 6147 6546 6324 6144 6072 6139 6093 6388 6535 5701 5690 6644 6711 6450 6200 6212 5777 6262 6691 6344 6259 6221 6683 6486 5975 5942 5967 5918 6003 6203 5930 5559 6420 6522 6582 6139 6483 7096 6588 5591 5654 6769 6356 6225 6441 5876 5448 5849 6470 5984 6083 6208 5972 6296 5997 6133 5897 5760 6015 6009 5845 5970 5843 5881 5470 5572 6205 6400 6755 5582 6009 5606 6041 5871 6070 497.6769 *497.8288* C11 H5 Cl3 O12 S2 1846 2447 2263 2001 2914 2535 1 2682 2020 1990 2398 2151 2355 2115 1915 1 2149 1976 2042 2158 2236 2291 1 2385 2183 2405 2686 2355 2213 2053 2186 2156 1924 1949 2355 2491 2213 2454 2345 1833 2402 2068 2031 2187 2068 2109 2626 2409 2492 2158 2013 2156 1 1 2173 1985 2377 1 2285 2498 1973 2035 2185 2194 2471 2041 2141 2248 2210 2025 2019 2050 2497 2313 2334 2312 2089 2088 1908 2586 2510 2526 2050 2344 1838 1546 2183 1889 2348 2375 497.8288 *497.8936* C15 H2 N2 O14 S2 4204 3584 3687 3638 4193 3960 3868 4202 4486 3630 3818 3928 3962 4105 4318 3898 3937 3685 4221 4188 4164 4003 3424 3188 3784 3811 3962 3450 4068 3823 3667 3498 3914 1 2865 3305 3642 3607 3439 3763 3210 3699 3835 4022 3372 3657 3356 3769 3470 3613 3218 3729 3135 3635 4027 3967 3869 3838 3646 3511 4003 3953 3516 3690 3323 3326 3294 3436 3683 4031 3705 3423 3238 3599 3535 3612 3341 3716 3477 4452 3459 3975 3448 2897 3094 3618 3572 3882 4610 3595 497.8936 *498.0266* 498.0266@0.9004768 1 1 1 1 1349 1545 1451 1420 1 1 1 1 1 1 1 1 1 1 1 1 1256 1123 1 1 1 1177 1 1 1 1 1240 1311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1171 1356 1 1 1 1 1 1 1227 1 1 1 1 1 1 1 1 1 1212 1 1 1 1 1 1 1 1567 1857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 498.0266 *498.3654* C24 H42 N12 1663 1918 1751 1971 1809 1692 1 2103 1996 1854 2074 1756 2344 2193 2248 1620 2279 2078 1785 1736 2402 1924 2163 1660 1876 2019 1541 2060 1959 2177 2003 1938 1638 1847 1 2360 1996 1702 1 2263 1763 1753 1 1664 1 1942 1 1649 1819 1590 1759 1633 1795 1786 1 1688 1874 1 2202 2171 1771 1908 1448 1734 1571 1898 1879 1987 1838 1892 1780 1532 1845 1791 1 1740 1 1854 2035 1537 1935 1343 1767 1569 1769 2050 1521 1662 1715 1790 498.3654 *499.6743* 499.6743@0.8415484 5814 6364 5750 6119 6275 6293 5389 5398 5895 5598 5377 5753 5964 6121 5965 6043 6139 5692 6178 5549 5847 5723 5890 6611 5521 5579 6203 5765 6057 5834 5544 5715 5818 6292 6253 6004 5924 5700 6570 5952 5663 5399 5677 6257 5625 5751 5660 5958 6705 6416 5899 5707 6781 5860 5693 5341 5510 5619 6227 6085 5269 5651 5577 5958 5829 5538 5872 5562 5568 5714 6008 6033 5760 5665 5695 5982 5897 6043 5399 5658 5448 6043 6197 5792 5867 5573 5763 5857 5545 5688 499.6743 *500.0243* 500.0243@0.90099514 1 1 1 1 1 1072 1144 1050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 500.0243 *500.0745* 500.0745@6.1688137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 500.0745 *501.1472* 501.1472@2.9626217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1783 1865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 501.1472 *501.3409* 501.3409@11.827534 1 1 1 1 1 1 1 1 1 12361 1 1 1 13072 1 1 1 1 1 13276 1 12308 1 1 1 1 1 1 1 1 1 1 1 1 13376 1 1 1 13762 1 1 11358 1 1 1 9738 1 1 1 1 1 1 1 1 13492 1 5509 11007 11543 1 1 1 1 12624 1 12776 12697 2940 1 1 11084 1 1 1 1 1 1 10820 1 1 1 10996 1 1 1 1 1 1 1 1 501.3409 *501.3414* 501.3414@11.820741 1 11315 1 1 12545 1 13009 12879 1 1 1 12548 12780 1 13798 13304 1 11495 13937 1 1 1 1 13811 11993 1 14440 1 1 13859 1 1 14043 1 1 13617 1 12960 1 1 1 1 1 1 1 4298 1 1 1 1 1 1 1 1 1 2560 5194 1 1 1 11308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5344 1 1 1 1 1 1 1 3149 1 501.3414 *501.3417* C25 H47 N3 O7 12115 1 11954 10651 1 10332 1 1 12582 1 12947 1 1 1 1 1 11610 1 1 1 13585 1 13827 1 1 13564 1 13733 12603 1 13148 13282 1 13201 1 1 13199 1 1 12739 12587 1 13971 14084 13474 1 12651 12698 12620 14395 12317 12335 12028 12106 1 9812 1151 1 1 12088 1 11593 12825 1 12262 1 1275 7990 11396 11877 1 11025 11312 11825 11074 11305 11633 1 10712 11426 4509 1 10583 10599 10047 11160 11026 11103 7178 11091 501.3417 *501.3645* 501.3645@12.14981 1 1 10491 1 1 1 8872 7081 3472 1 9777 9219 1 1 1 1 9657 1 1 1 1 3300 1 1 1 1 1 1442 1 1 10476 1 1 1 7530 1 1 1 1 1 3028 1 1 1 1 1 8679 1 1 1 8762 7691 1 1 1 1 3840 1 1 6875 6116 2796 1 1 8848 6480 3286 1 1 1 1 1 3262 1 1 1 1 1 5180 5546 1 6459 6114 6073 1 1 6972 1 5573 1 501.3645 *501.3652* C24 H43 N11 O 9121 10954 1 9980 10027 9526 1 2766 4190 9121 1 1 9989 9456 9535 9678 1 8846 10870 10824 9872 1 9852 1956 9422 9484 9651 1 8021 10394 1 11249 9988 9436 1 8028 9936 9400 9608 8948 3722 9769 9165 9406 8981 8664 1 7955 8714 9208 1 1 8029 7491 5845 6147 1358 7333 7114 1 1 3685 8837 7632 1 1 5154 6422 7833 5313 6481 6758 1 6761 6582 7487 5825 7224 1 1 6658 1 1 1 6312 5910 1 5965 1 6508 501.3652 *501.6701* 501.6701@0.84205955 3356 3401 3701 3143 3626 3665 3299 3307 3273 3535 3496 3158 3223 3313 3742 3301 3421 3427 3126 3088 3546 3135 3931 3347 3100 3420 3538 2948 3294 3576 3329 3113 3538 3537 3350 3667 3852 3645 3581 3125 3104 3206 3139 3260 3410 3243 3106 3179 3547 3836 3379 3365 3844 3442 2700 3262 3521 3302 3293 3380 3434 3118 3218 3168 3436 3503 3507 3371 2931 3375 3310 3402 3050 3297 3218 3204 3437 3211 3206 3596 3138 3419 3526 3399 3338 3360 3029 3350 3227 2885 501.6701 *501.8433* C12 H13 Cl3 O5 S5 6239 5554 6297 1 6080 6013 1 4357 5964 6622 6464 6517 5920 6269 1 6531 6634 6578 6890 6232 7432 6579 6324 6996 6823 6786 6629 7005 6887 6872 6143 7150 6784 6727 6181 6666 6747 6313 1 6761 6805 7479 6198 6247 6852 6127 6010 6502 6217 1 5977 6223 6145 7390 6123 6278 1443 5565 1 5971 6124 5564 6035 1 5871 1 5933 5707 5612 5843 5775 5672 5279 5642 1 5464 6077 5222 5744 1 1463 5259 5330 5560 5714 1 1 5739 4964 4915 501.8433 *501.8444* 501.8444@11.831002 1 1 1 5659 1 1 6327 1975 1 1 1 1 1 1 6382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6331 1 1 1 1 1 1 1 1 1 1 5840 1 1 1 1 1 1 2704 1 6558 1 1 1 1 6133 1 6181 1 1 1 1 1 1 1 1 5684 1 1 1 1 5149 3999 1 1 1 1 5684 5681 1 1 1 501.8444 *501.8722* C20 H4 Cl2 N2 O4 S3 1753 1759 1155 1766 1679 1702 1874 1965 1637 1914 1363 1684 1817 1430 1660 1557 1834 1567 1623 1468 1565 1549 1801 1557 1509 1782 1552 1394 1 1640 1725 1509 1472 1605 1741 1661 1792 1636 1597 1430 1567 1488 1935 1500 1581 1505 2084 2052 1691 1442 1556 1833 2028 2048 1749 1569 1519 1333 1822 1628 1739 1659 1690 1477 1707 1467 1373 1571 1250 1631 1065 1 1912 1704 1611 1658 1443 1363 1430 1 1 1555 1690 1668 1579 1500 1350 1458 1876 1806 501.8722 *501.8807* C10 H12 Cl2 N2 O9 S4 2414 2470 2741 2474 2624 2841 2608 2381 2687 2629 2815 2545 2436 2734 2957 2513 2582 2476 2541 2485 2493 2360 2445 2491 2389 2511 2439 2441 2386 2661 2452 2485 2515 2428 2184 2525 2113 2415 2522 2448 2478 2413 2083 2414 2447 2371 2258 2232 2319 2300 2540 2449 2377 2252 2627 2507 2080 2383 2017 2047 2101 2434 2517 2297 2396 2368 2537 2131 2286 2429 2337 2708 2478 2154 2473 2336 2436 1973 2470 2343 2526 2266 2348 2153 2193 2389 2361 2426 2510 2315 501.8807 *502.299* 502.299@4.918672 1 1 1126 1546 1 1 1 1 1 1 1 1 1 1 1 1 3370 2592 1 1 1 1 1 1 1 1 1 1533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1411 1 1 1 1 1 1 1 1 1 1 1 502.299 *502.3425* 502.3425@11.83333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1597 1 1 1 1 1 1 1 1 1 502.3425 *502.3687* 502.3687@12.155527 1 1 1 1 1 1 1 1 2223 1 1 1 1 1 1 1 1 1 1 1 1 2177 1 2152 1 1 1 2407 1228 1 1 1 1 1 1303 1057 1 1 1 1 2804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 502.3687 *503.229* 503.229@13.140515 1 1 1 1 1 1 1 1 2346 1 1 1 1 1 1 1 1 1 1 1 1 2526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2490 1 1812 1 1 1 1603 1 1 1 1 1 1 1 1 1 1 1 1 503.229 *503.2574* 503.2574@4.75017 1 1 1 1 1 1 1 1 1 1 1 1 19697 20170 1 1 85587 83606 1971 1602 1 1 1 1 1 1 1 1 3413 3167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13122 13717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3966 3820 503.2574 *503.2929* 503.2929@5.386786 1 1 1671 2038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1430 1575 1 1 1 1 1 1 1 1 1 1 1 1 2095 1920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1163 1 1 1 1 1 1 1 1561 1151 1 1 1 1 1 1 1 1 1 1 1 1 503.2929 *503.2933* C14 H34 Cl N19 1457 1389 1709 1605 1237 1621 1273 1482 1252 1535 1217 1345 1360 1482 1182 1542 1257 1531 1559 1301 1436 1471 1557 1303 1238 1 1711 1551 1571 1608 1419 1310 1253 1483 1338 1377 1 1492 1224 1440 1554 1399 1 1331 1644 1059 1 1 1198 1193 1 1213 1095 1 1 1 1045 1 1 1 1 1 1073 1 1 1092 1 1005 1167 1166 1 1064 1111 1007 1 1 1177 1574 1008 1 1 1 1 1000 1 1 1 1050 1118 1 503.2933 *503.3117* C27 H45 N5 S2 6451 5901 6385 6046 6008 5878 5763 5926 6072 5879 6040 6429 6543 6350 6348 6663 6248 6116 6426 6729 6409 6467 6167 6113 5797 6946 6383 6492 6470 6468 6193 6384 6557 6522 6227 6590 6451 6255 7091 5967 6113 6213 5959 5751 4650 3704 3582 4147 3590 4231 3554 4077 4202 4135 3921 3572 3819 3790 4164 4180 3909 3965 4088 4026 4743 5100 4584 4253 4253 4411 4152 4377 4057 4381 4045 4471 4416 4215 4006 4278 4253 4479 3995 4034 4165 4302 3747 4142 4521 4367 503.3117 *503.3119* C27 H37 N9 O 1830 2269 1747 2010 1976 1763 1 2075 1795 2089 2144 1 1 1873 1734 1954 1869 1897 2120 1966 2018 1777 1847 1878 1714 1 1845 1690 1985 1413 1862 1839 1864 2276 2227 2028 1777 2311 2011 1983 1880 1403 1939 1884 1878 1323 1640 1 1304 1 1391 1789 1523 1408 1487 1554 1459 1619 1261 1256 1431 1508 1536 1419 1 1308 1395 1338 1 1 1499 1556 1445 1 1405 1379 1233 1 1 1 1577 1 1487 1193 1364 1576 1269 1 1099 1 503.3119 *503.6507* 503.6507@0.8415061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1158 1 1 1 1 1 1 1 1 1 1 1 1787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 503.6507 *503.8644* C18 H3 Cl3 N6 S3 1530 1516 1209 1 1158 1447 1557 1720 1414 1 1343 1328 1350 1187 1411 1333 1479 1425 1262 1134 1390 1502 1434 1519 1380 1315 1268 1156 1390 1576 1315 1382 1162 1425 1397 1449 1486 1417 1409 1259 1142 1275 1403 1592 1432 1487 1593 1656 1635 1411 1589 1415 1594 1383 1264 1266 1176 1411 1444 1368 1267 1695 1178 1418 1239 1276 1321 1500 1158 1270 1127 1398 1603 1422 1283 1109 1277 1 1143 1244 1243 1530 1490 1498 1121 1371 1298 1339 1104 1528 503.8644 *503.8924* 503.8924@0.80899155 1 1 1125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 503.8924 *504.17* 504.17@3.4241922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1065 1 1 1 1 1 1 1 1 1 1 504.17 *504.3286* 504.3286@4.974367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1389 1582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.3286 *504.3661* 504.3661@12.888289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1436 504.3661 *504.3828* 1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitamin D3 / 1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)c 1 1 1 22932 8244 23678 1 25191 9857 6082 1002 1 19119 1 23196 1 17887 1 1 13069 1 1 1 1 20426 1 1 1 17119 1 5643 1 1 1 1 1 1 1 1 23525 1 22319 8874 1 1 16953 19389 1262 11662 1 7047 16590 1 1 17778 1 5614 15523 1 17306 18447 1 5954 1 16968 18580 1 19511 1052 18395 12669 1 20550 1 1 1 1 1 1 19812 1 1 15491 1 1 1 1 1 1 1 504.3828 *504.3833* 1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitamin D3 / 1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)c + 13.128956 21494 11917 22734 1 15044 1 24371 1 10661 10254 23106 17201 1 21964 1 8345 1 20400 23618 1 22000 22677 2381 20597 1 23572 23308 21086 6475 19462 19397 1 23106 1 23491 25292 19788 23348 19070 1 17787 1 2080 22714 24462 6084 1 18143 8000 17716 1 1 18856 18872 1 20132 4554 1 10952 1 1 15754 1 19441 1 1 12093 1 16318 1 1509 20652 1 17205 19250 18097 5819 19200 19959 1 5418 1 1 18734 1 19596 18826 16894 18133 18708 504.3833 *504.3836* 504.3836@13.162518 1 7327 1 1 1 1 1 1 1 1 1 1 1 1 1 15169 1 1 1 1 1 1 19073 1 1 1 1 1 1 2363 1 22858 1 21907 1 1 1410 1 2077 1 1 1 11078 1 1 6769 1 1 1441 1 11075 1 1 1 1 1 2480 1 8602 2342 1 1 12762 1 1 1 5030 1 1 1 3978 1 1 1 1 1 1 1 1 1 11140 18694 1 1 9694 1 1 1 1 1 504.3836 *504.3851* 504.3851@14.753392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.3851 *504.3857* 504.3857@13.412015 1 1 1 1 1 1 1 1 1 1 1 2710 1 1 1 1 1106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.3857 *504.8821* 504.8821@14.721384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.8821 *504.8829* 504.8829@13.073126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1050 1 1 1 1 1 1 1 1 1 1 1 1 1 2259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.8829 *504.883* 504.883@13.191073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2467 1 1 1 1 1 2912 1 1 1 1 1 1 1 1 1 1 504.883 *504.884* 504.884@13.131683 1 10497 10654 1 1 4323 8634 1 12074 3886 10934 1 1 1 1 1 1 10736 10953 1 1 1 1 10754 10601 1458 1 11192 1 2499 1 1 1 1 10198 1 1 1 1 1 11445 1 1 1 10221 11393 1 1 10527 10246 9123 1 9524 1 7495 9337 1980 7362 1 1 1 1 1 1 2622 1 8648 8526 1 9679 1 1 1 2163 6835 7704 3062 1 1 1 1 1 1 1 1 1234 8347 1 1 1 504.884 *504.8846* C13 H6 Cl3 N O14 10201 1 1 11473 10859 1 2257 10725 1 7201 1 10238 9993 12364 9681 11289 10337 1 1 10962 11471 10737 11845 1 1 9232 10807 1 11224 2208 11750 10537 11051 10744 1 10576 8928 10546 10529 10709 1 10326 11191 9702 1 1510 8686 9336 1 1 1 9286 1 9648 1 1 1708 1 10643 9825 7376 6791 8939 8763 7137 7440 1 1 9692 1 1 8574 9019 3641 3062 1 6431 10732 9095 5532 8932 8095 7955 8277 9472 7327 1 8747 8114 8476 504.8846 *504.889* 504.889@13.213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.889 *505.1452* 505.1452@4.124844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1213 1283 1 1 6556 7005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1420 1645 1 1 1 1 1 1 1 1 505.1452 *505.291* C26 H35 N9 O2 3052 3081 2996 3368 2250 2993 2202 3019 2933 3359 3583 3039 2744 3111 3043 3223 3175 3330 2887 3145 3204 3194 3315 3452 2975 2938 2741 3163 3216 3482 3717 3980 2851 3001 3010 3536 3520 3245 3457 3541 3229 2953 3243 3143 2882 1530 1696 1755 2021 1912 1830 1 1484 1958 1482 1528 1676 1910 1762 2207 1795 1667 1519 2001 1568 1914 1855 2366 2350 2081 2326 1850 2109 2079 1941 2297 2436 2223 2530 1992 1999 2062 1761 2282 2171 2067 2226 1624 2340 2081 505.291 *505.3845* 505.3845@13.119764 1 3013 1580 1 1 1 1 1 4307 4962 1 1 3483 1 1 1 2303 1 1 1 1 1 1142 1 1384 1 1 1 1 3792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1323 1 1 1 3107 1 1 1 1 1 1 1069 1 1 1 1 1028 1 1268 3015 1 1 1 1215 1 1 1 1 1 1 1 1 1 505.3845 *505.3862* 505.3862@13.1408205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1272 1 1 1 1 1 1 1 1 1 1 2433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 505.3862 *505.7058* 505.7058@0.8398449 4013 4204 4305 4143 4379 4144 3695 4005 3781 3887 4088 3893 4314 4362 4447 3731 4334 4108 3846 3755 3828 4249 4188 4005 3991 3973 4549 4095 4060 4299 3968 4078 4049 4578 3992 4165 4261 4008 4494 3964 3867 3933 3945 4069 3823 4057 4435 3842 4186 4510 4253 4211 4354 4258 3664 4225 3906 4026 4044 4108 3783 3940 4085 1 4290 3840 3851 3645 3804 4034 3866 4087 3810 3956 4225 3617 3854 4125 1 4090 3726 3979 4239 4080 4265 3967 3727 3705 3641 3781 505.7058 *505.8602* 505.8602@0.87100965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1079 1 505.8602 *505.861* 505.861@0.8405705 1 1 1 1 1 1046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1149 1 1 1 1224 1 1 1 1 1 1 1 1 1 1 1010 1 1 1 1 1057 1 1 1 1 1 1 1255 1 1 1 1 1 1129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 505.861 *505.8786* 505.8786@0.8099556 1 1 1192 1 1 1 1 1 1 1098 1 1 1 1 1282 1 1 1 1190 1 1 1478 1 1 1 1 1 1 1 1 1 1090 1 1119 1 1 1060 1010 1 1 1 1 1180 1046 1 1 1 1 1 1019 1 1068 1073 1 1 1 1 1 1 1 1 1 1 1 1 1 1084 1 1098 1021 1 1 1 1 1187 1 1 1 1 1 1 1 1 1 1 1120 1 1151 1 1 505.8786 *506.1759* 506.1759@0.9051645 1 1084 1 1 1 1 1 1 1097 1277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1115 1051 1 1 1 1 1 1 1 1 1 1 1 1 1100 1016 1268 1347 1 1 1017 1 1 1 1 1 1 1 1 1 1 1 1 1 1138 1221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 506.1759 *506.3039* 506.3039@4.9327564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24137 23315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 506.3039 *506.3147* C31 H42 N2 O4 1 2538 6770 1 3335 3544 3972 2128 3187 2692 4939 4286 5559 5487 2985 1 5012 5300 5813 5036 5606 1 5939 3808 1 2757 5639 4995 2906 3609 1 6679 1 5335 2916 5025 6357 1 6472 5174 6034 2888 2931 1 4305 3550 2912 2606 1 6424 6028 6215 3290 2438 2583 6179 3292 1 6171 4821 1 1 5264 5846 5022 7097 4933 2838 4734 2967 6220 5809 5196 1 1 1 4858 4469 5505 4107 5233 5538 1 5529 1 6108 5403 2284 2451 3355 506.3147 *506.3157* C17 H34 N18 O 6333 3452 1 5899 3332 2375 2352 3606 2941 2623 1 1461 1 1 3214 1 1 1 1 1 1 5556 1 2578 6594 3312 1 1 1 1981 3400 1 3387 1 2411 1 1 5935 1 1 1 1 2228 5222 1160 1 1937 3369 5713 1 1 1 3347 3769 3192 1 2248 5461 1 1 4735 2595 1 1 1 1 1 2781 1 3032 1 1 1 5609 5099 5489 1 1 1 1525 1 1 5922 1 4648 1 1 2865 1 2704 506.3157 *506.361* C30 H50 O6 1505 1194 1882 2013 1555 1932 1 1873 2067 2054 1757 1727 1733 2037 1 1 1839 1 2010 1858 1576 1834 1937 2080 1886 1928 1707 1787 1927 1 1860 1973 1892 1 1873 2040 1966 1882 2142 2038 1858 1717 1434 1576 1751 1771 1740 1811 1563 1338 1954 1531 1 1716 1754 1314 1637 1 1768 1719 1628 1774 1367 1 1 1318 1416 1257 1335 1557 1434 1404 1451 1829 1366 1323 1 1645 1524 1 1291 1224 1500 1 1675 1 1334 1266 1 1 506.361 *506.8161* C13 H N O11 S5 1320 1 3052 1 1 1 1890 1 1 1238 1 1 1706 1 2011 3195 3469 1 1 2967 1 1 2904 2955 1 1714 2982 1380 1247 1821 3285 1 2871 3036 1593 1 1 3299 3625 1 2111 1 1 1 3545 3220 3167 3259 1143 2852 2877 1 1273 3172 2951 3086 1528 3047 1 3022 1366 1036 1261 2979 3305 1090 1 1596 3134 1916 3083 2958 3056 2262 1 1422 1401 1819 3018 1393 2914 2951 3183 1 2741 1 2564 1 1 3283 506.8161 *506.8172* C15 H3 Cl2 N O7 S4 2226 3152 1 2983 3016 3485 1203 3180 1409 2013 3437 1312 1386 3502 1459 1 1 1 2961 1 2936 1 1 1 1 1850 1 1431 1 1281 1 3064 1 1 1220 3150 3059 1 1 3179 1 2993 1 3194 1 1 1 1 1 1 1 3277 1608 1 1 1 1481 1 3087 1 1683 1742 1692 1 1 1967 1 1 1 1252 1 1 1 1054 2970 1342 1 1276 1 1765 1 1 1 3507 1 2741 1 1850 1 1 506.8172 *506.8597* 506.8597@12.290662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 1 1 1 1 1 1 1 1 506.8597 *507.1738* C17 H37 N3 O8 S3 4854 4291 3738 3910 2595 2439 3455 3514 5146 4945 2934 3635 3877 4203 2195 2626 1561 1869 4272 4310 1735 1271 3046 3464 4135 4372 5919 6269 1554 1723 1 1 4026 4049 3661 3551 4873 5770 2950 3078 4662 5254 5908 5483 3217 3240 4903 4849 2762 2783 3451 3570 3890 3530 2944 2775 1608 1761 1329 1462 6583 7077 2808 2902 5623 4586 3651 3060 3903 4423 1029 1 1888 1957 1852 1598 4364 4646 1539 1399 3260 3590 2856 2445 1667 1284 5187 5354 3180 2892 507.1738 *507.3053* 507.3053@7.3081884 1 1 1163 1118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 507.3053 *507.3195* 507.3195@6.536211 1 1 1385 1442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 507.3195 *507.3687* 507.3687@14.1156845 12575 1 1 7147 1 1 1 1 6532 4566 1 1 1 1 6800 1 5462 1 1 1 1 1 1364 1 15200 1 1 1887 3780 12801 4777 1 9891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10254 1 1 1 1 1 1347 1 11237 10493 1 1 8403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1088 9968 1 1 1 1 1 1 1 1 1 1 507.3687 *507.3697* C26 H57 N3 S3 1 4672 15145 1 10852 13316 11647 1 1 9600 1 11041 1 11673 1 1 4869 10840 14178 13662 11000 11374 8556 6769 1 10379 14158 1 10818 2738 1 17279 1 16224 10981 7742 15887 3094 9693 13880 14799 9941 10828 10783 14837 13324 1 14237 10221 11593 1 13581 9459 13353 7198 1 2758 6374 1 1 9072 15655 1 9247 5761 13467 9819 10289 9879 9781 1 11448 9271 12159 13722 10382 1 9561 5888 1 4701 14868 9720 16000 1 9907 1 11903 1 1 507.3697 *507.3705* 507.3705@14.142653 1 9685 1 3792 1 1 1 16033 4356 3877 4632 5016 14207 1 1 11892 1 1 1 1 1 1 1 3750 1 1 1 14655 2821 1 1 1 7010 1 1 1 1 6712 3186 1 1 1 1 1 1 1 10853 1 1 3855 1 1 3430 1 8635 1 4857 4074 2060 1 1 1 1 1 4747 1 1 1 5792 1 7771 1 1 1 1 2400 13184 1 6132 1 1 1 1 1 12374 1 11889 1 12249 12545 507.3705 *507.4301* 507.4301@14.312161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2170 1 1 1 507.4301 *507.4378* 507.4378@14.240744 1 1 1 1 1 1 1 1 1 1 7868 1 1 1 1 1 1 7218 1 2477 1092 1 1 1 1 1 1 1 1 1 2893 1 1 1 1 1607 1635 1 1 1 1 2016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6971 1 1 1 1 1 1 1 1 2197 1 2501 2536 1 7009 1 1485 1611 2473 7845 1 1 1 4459 1 1 1 3948 1 1720 1 1 507.4378 *507.4385* 507.4385@14.228516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4482 1 1 1 1 507.4385 *507.4434* C35 H57 N O 9027 10213 10860 10139 10211 9345 10383 10254 11403 10223 3776 9013 10063 11557 9814 8825 7535 2055 5447 7392 8715 11561 8638 8795 8846 9169 11243 9446 9882 10038 6225 10763 10328 10266 10335 6088 8327 8139 11347 8927 8893 7525 9437 10554 7599 13344 8738 8632 8621 8372 9113 7422 7103 9342 7233 8019 2089 8971 2172 10612 9382 6478 7384 7655 1809 7215 7901 7625 7936 5663 6676 8396 1048 8394 7921 7584 4171 1725 8881 8121 3177 4391 8375 8057 6351 1 3313 7275 8904 6596 507.4434 *507.4467* 507.4467@14.255885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 507.4467 *507.6517* 507.6517@6.5328484 1 1 1437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 507.6517 *507.7058* 507.7058@0.8394595 8130 7684 7298 7390 7428 7248 7313 7245 7577 7267 7321 7195 7799 7255 7886 7575 7859 7558 7148 7012 7875 7480 7181 7812 7592 7512 7835 7826 7687 7383 7360 7225 7359 8092 7490 7623 7794 7350 8134 7618 7192 7365 7538 7351 7564 7358 7635 7300 8538 8019 7712 7580 8081 8166 7696 6991 7517 7346 7725 7526 7078 7206 7285 7834 7234 6832 7404 7009 7782 7315 7409 7114 7450 7296 7601 7050 6836 6755 7203 7158 7003 7509 8073 7331 7323 7226 6817 7298 7173 7220 507.7058 *508.134* 508.134@6.1683135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3814 4605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 508.134 *508.2129* 508.2129@4.7540164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3563 3560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 508.2129 *508.3695* 508.3695@14.093717 1 1 1 1 1 1 2401 1 1 1 1 1 1 1483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 508.3695 *508.3713* 508.3713@14.116839 1 1 2205 4456 1 2195 1752 1 4708 1 2989 1 1 2180 7634 1295 1 3217 1 3624 5871 1 3994 1 1 1 1 1 1 1 3239 1 1 1 1 1 1 4117 1 1 1389 2499 2028 1 1 1493 1 1 2081 1 1 1 1 1 1 1 1 3284 1 1 4644 1 1 1 3860 1 1 5420 1 1 1 1 4262 1 1 1 1 1355 1 3777 2740 1 3236 1 1 2888 1 1689 1 1 508.3713 *508.3738* C34 H52 O S 2895 3076 3072 2578 2621 3364 2011 2241 3748 2688 2716 2596 3304 3035 2855 3197 3471 2913 2811 2026 3599 2742 2076 3861 3566 2917 3488 2744 3053 1821 3073 1764 1798 2617 2856 2878 2719 3164 3423 2675 2762 2784 2918 3061 3709 1 2110 1 2346 1 1604 1673 1 2467 1764 2392 1 1537 1678 2605 2357 2016 1 1877 1627 2005 1 2233 1640 1 1 2043 1940 1438 1581 1915 2155 1628 1706 2079 2399 1 1 2256 1 2117 1771 1489 1 1 508.3738 *508.4472* 508.4472@14.254288 2721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1935 1 1 1 1 1 1 1 1 1 1495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2021 1 1 1 1 1 1 1 1 1 508.4472 *509.3698* 509.3698@14.148024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1465 1 1 1 1004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 509.3698 *509.3925* 509.3925@13.151559 1 1 1 1 1593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 509.3925 *509.4159* 509.4159@14.408406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 509.4159 *509.7024* 509.7024@0.8395261 6550 7111 6770 6366 6631 6238 6514 5886 6542 6393 6134 6129 6685 6705 6907 6629 6784 6578 6528 6240 6661 6786 6815 6264 6340 6602 6922 6228 6474 6390 6594 6498 6688 6835 6524 6503 6753 6785 7162 6541 6251 6319 6665 6364 6356 6310 6146 7166 7149 7104 6596 6345 6981 6673 6073 6398 6217 6870 6645 6689 6021 6516 6065 6436 6034 5976 6603 6229 6070 6525 6026 6370 6286 6864 6188 5892 6185 6407 6201 6423 6087 6740 6911 6758 6123 6187 6017 6129 6271 6610 509.7024 *510.317* 510.317@5.597751 1 1 1379 1572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 510.317 *510.3209* C15 H34 N20 O 6184 5727 38462 39717 12390 11716 9562 10157 10526 10220 9954 8891 14634 16026 6074 6209 7090 7051 10344 10470 7054 6586 6118 5842 20952 21943 7880 7463 7356 7335 27094 27749 6096 6040 7376 6857 12213 12733 7434 8477 9372 8993 13363 12719 26075 25238 9838 10300 6734 6262 3868 3654 9923 9867 5036 4575 1 5320 3609 4475 7836 7896 7705 7941 10008 9768 3717 3978 27452 27560 21673 22674 5212 4850 4979 4627 20878 19745 10246 10585 4351 4406 5081 5061 6914 6455 5665 4326 4436 4543 510.3209 *510.7998* 510.7998@7.055548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1171 1462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 510.7998 *510.8223* C16 H8 Cl3 N O2 S5 2734 2644 18044 17633 5130 5411 4220 4264 4426 4273 4302 4080 6677 6669 2474 2615 2885 3319 4365 4926 2971 2668 2685 2456 9473 9623 3132 3051 2838 2968 13174 12845 2303 2716 3486 2604 4996 4657 3593 3544 3726 3662 5798 6436 12206 11107 4265 3971 2640 2820 1850 1629 4008 3926 1964 2059 1 2175 1937 1728 3330 3701 3474 3337 4174 4502 1756 1695 12931 12346 10769 10232 1897 2239 2202 2165 9123 9385 4173 4120 2045 1740 2253 1819 2841 2940 1576 2385 1888 1743 510.8223 *511.1525* 511.1525@2.9811685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 511.1525 *511.2067* 511.2067@4.0009747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 511.2067 *511.4067* C30 H57 N O3 S 6933 7726 7555 7744 7358 6942 7107 6847 7140 6657 7164 7095 6702 7300 6895 7324 6663 7105 6774 6766 6953 6826 7098 7315 7418 6757 6678 6912 5849 7332 7239 6457 6924 6338 6246 6676 6733 6505 5508 6654 6621 6738 6051 6219 6980 5537 6349 5914 4749 6126 5756 5595 3938 5034 5537 3863 4123 5424 4963 5461 4768 5266 5289 3790 4957 4976 4436 4943 5347 5426 4853 4952 4393 4770 5107 4629 5102 4697 4883 4553 3669 4881 3861 4883 4707 4633 4764 4351 4621 4675 511.4067 *511.408* C23 H49 N11 O2 4325 3626 3633 3657 2848 3569 3828 3709 3216 3524 3989 4074 3746 3975 3587 3689 3652 2768 3753 3461 3324 3917 3440 3565 2931 3050 3541 3548 3793 3428 3839 2722 3536 3282 3223 3738 3732 3439 3517 3746 3322 4105 3192 3486 3518 3540 2847 2671 2521 2385 2876 3000 3067 2610 2313 2781 2655 2985 2956 2568 3120 2489 2687 2570 2819 2882 2609 2720 2924 2710 2166 2422 2909 2105 2617 2685 3046 1968 2293 2696 2616 2063 2670 2725 2918 2819 2542 2572 2114 2792 511.408 *511.6977* 511.6977@0.84026563 3877 3873 4057 4149 3575 4183 3683 3560 3686 3708 3512 3801 3785 4050 3879 3906 4053 3841 3747 3809 4042 3927 3998 4212 4047 3634 3698 3795 3294 3453 3702 3663 3775 4063 3771 3806 3865 3545 4403 1 3881 3744 3678 1 3788 3669 3831 3881 3810 3757 3686 3679 4077 3875 3643 3586 4129 3685 4045 3860 3632 3697 3664 3634 3645 3734 3483 3896 3449 3640 3772 3538 3672 3858 3767 3575 3968 3842 3648 3826 3727 3449 4076 3503 3705 3728 3466 3696 3601 3386 511.6977 *511.8987* 511.8987@0.87100506 1 1 1 1 1 1 1 1001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 511.8987 *511.9102* C16 H4 N2 O14 S2 1 1 2911 2382 2608 2569 1 2549 1 2092 1 2587 2414 2550 1 2658 2247 2632 2284 2346 2272 2290 2186 2062 2315 1 1 2356 2331 2285 2332 2101 1982 1 1937 2311 1 1934 2258 2108 1 2378 2312 2169 2432 2255 1 2212 2057 1 2328 1 2295 1 2493 2359 2423 1 1844 2341 2332 2363 2188 1 2101 1 2265 2200 2145 2199 1 2388 2222 1 1 2206 2181 2119 2124 2315 1 2128 2152 2094 2113 2354 2192 2161 1 2254 511.9102 *512.1705* 512.1705@3.126636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1430 1512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.1705 *512.3803* 512.3803@14.672515 1 3266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1730 512.3803 *512.3812* C24 H48 N8 O4 57262 55167 54814 60067 53734 60157 61720 54163 57543 55913 53090 57284 59390 54982 55646 59709 55919 52678 57145 57640 55975 57402 55095 56945 54855 57470 56221 55282 58067 52442 56792 55785 55340 52994 57032 54339 55272 54628 57468 53675 59337 50806 54935 54096 66497 56617 54487 54490 53820 52513 54629 55400 52794 51754 50255 49469 37205 49862 50719 50359 50648 47228 49662 46974 48942 49157 50972 51083 50074 51104 53467 49997 50237 50034 51434 49270 47930 50511 49993 49164 46937 53154 52062 50080 53403 47582 5814 50322 51812 49773 512.3812 *512.3814* 512.3814@14.649764 1 1648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2372 1 1 1 1483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2306 1 1 1 1 2281 1 1 1 1 1 2785 1 1 1 1 1 1 3489 2612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2412 1 1 49778 2360 1 1 512.3814 *512.882* 512.882@14.628089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1697 1 1 1 1 1 1624 1144 1 1 1 1 1 1614 1 1 1 1 1 1 1 1974 1 1 1 1018 1 1 1834 1 1 1 1 6028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2865 1 1 1 1 1397 1 1350 1 1 512.882 *512.8825* C13 H8 Cl N3 O9 S4 30496 27957 28737 27647 29865 27865 29315 28649 27915 31033 29082 31107 28475 28566 30594 29597 27313 28962 28147 29808 30215 30001 28380 31041 28943 30182 28485 31474 27943 28969 30394 28760 30565 29789 28481 30557 31148 28619 27721 30559 28212 29698 30264 27596 35033 29351 27766 25462 28554 27258 28458 26650 29198 25123 25609 27311 26256 24640 26216 25983 27994 20544 27453 25499 26672 27223 25261 27380 25239 26516 26924 25973 28190 28377 26626 26170 26365 25396 26348 27204 24745 27048 24047 25413 29265 25554 27403 26661 26918 25240 512.8825 *513.3793* 513.3793@14.576549 1 1 1 1 1495 1 1 1 1 1 1 1349 1 1 1 1 1142 1 1 1435 1 1 1 1 1 1 1 1 1 1 1 2277 1 1 1 1 1753 1 1 1 1 1 1 1453 1305 1639 1 1 1 1 1 1 1 1 1 1 1651 1 1 1 1 1476 1 1 1 1 1 1 1 2168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 513.3793 *513.3827* 513.3827@14.542989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1320 1 1 1 1 1 3461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 513.3827 *513.6798* 513.6798@0.84201515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 513.6798 *513.6843* 513.6843@0.84200376 2055 2189 2093 1581 2275 1985 2072 2098 2001 1 1962 2003 2112 2090 2399 2187 2131 2023 2117 2098 2007 2081 2237 2106 1907 2169 2127 1958 1 2025 1887 1999 2197 2007 2247 2288 1921 1995 1796 1787 2136 2020 2174 2201 1890 2137 2088 1917 1 2119 2068 2053 2018 2002 1 1983 1982 2108 2207 2203 1807 2107 1861 2066 2406 2106 1935 1956 1844 1 2032 2166 2016 1995 2016 1 1637 2185 2227 2010 1998 2061 2191 2162 1982 2018 1782 2011 1998 1865 513.6843 *513.8849* 513.8849@14.514029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1187 1 1 1 1 1 1 1 513.8849 *514.2555* 514.2555@4.110922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1680 1 1 1 1 1 1 1851 1 1 1 1 1 1 1 1 1 1 1 1 1 1292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.2555 *515.7348* 515.7348@0.8372136 5449 5241 4979 5071 5278 5254 4866 5352 5176 4761 4714 4682 5156 5023 5216 4941 5611 1 5168 5380 5326 5527 5265 5510 4792 4623 5676 5191 5342 4842 5102 4850 5159 5335 4980 5030 5760 5198 4973 4793 5161 5136 5033 4817 4725 5558 5161 5450 5434 5420 5375 5362 5199 5198 5000 1 1 4827 5284 5150 5281 5060 4964 5091 4957 4784 4965 5278 4926 4917 4886 1 4973 5324 4975 5189 5242 5160 5380 4922 4677 5165 5007 5068 4902 4793 4702 4941 5205 4791 515.7348 *515.8935* 515.8935@0.80923474 1 1 1 1 1 1 1 1 1 1104 1 1 1 1 1 1179 1 1 1 1 1234 1 1 1 1 1 1 1 1 1 1 1 1158 1 1 1 1200 1 1 1 1013 1 1 1 1 1 1 1 1 1 1 1 1112 1 1 1 1 1 1 1 1 1 1 1 1 1126 1 1 1 1 1074 1 1082 1 1 1095 1 1 1 1 1 1 1 1 1 1 1252 1083 1 1 515.8935 *516.2793* 516.2793@4.911483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2560 2784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.2793 *516.3478* Fusidic acid 6422 6982 6220 5872 6387 6171 5514 6588 6590 6538 6135 5931 7038 6754 6481 6132 6428 5881 6303 7028 7140 5960 6476 6157 6064 6495 5988 6410 6455 6412 5881 6093 4847 5747 6175 5867 6086 6614 6096 6088 5922 5566 5669 5918 5761 5564 5354 4777 4628 3970 5094 5119 4892 4781 4327 4009 3948 4292 4346 3933 4086 4550 4362 4496 4473 4467 3674 4150 3512 4051 4477 3897 4624 3707 3592 4081 3520 3831 4095 4068 3503 3673 3891 3768 3665 3448 3532 3996 3784 3752 C06694 516.3478 *516.8484* C19 H2 Cl3 N5 O S3 2600 3162 2840 2748 2990 3210 2794 3184 3093 2816 3135 2837 3271 2409 2855 3188 2618 2521 2712 2913 3020 2520 2408 2680 2836 2782 2865 2898 2945 2603 2682 2938 2625 2643 2643 2618 2747 2641 2452 2800 2534 2493 2535 2588 2751 2366 2146 2198 1 2662 2143 2019 2053 2000 2043 1962 1816 2026 1985 2043 1779 2082 2236 1801 1609 1 1671 1915 2051 1967 1581 1719 1824 2082 2014 1867 1934 1890 1752 1600 1733 1890 1742 1451 1906 1815 1778 1522 1737 1947 516.8484 *517.3089* 517.3089@5.968459 1 1 1625 1720 1 1250 1 1 1 1 1 1 1 1036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1225 1146 1 1 1 1 1 1 1 1 1 1 1045 1246 1312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1422 1615 1524 1448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.3089 *517.309* 517.309@5.3163195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1861 1 1 1 1 1 1 1 1 1 1 517.309 *517.3097* 517.3097@5.487505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1190 1625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1446 1355 1 1 1 1 1 1 1 1 1 1 517.3097 *517.3128* 517.3128@5.4363256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1275 1 1 1 1 1 1 1 1 1 1 517.3128 *517.3624* C28 H55 N O3 S2 9191 9439 8520 7525 9560 8838 8629 9385 7796 8437 9102 8657 9263 7774 8702 9496 8658 8482 9361 9783 8883 9217 9309 8304 9114 7923 9572 9430 8758 10169 5915 8460 8250 9510 9342 9199 9700 8611 9220 9183 10069 10069 1789 9176 10387 9664 9351 9022 8266 9526 8515 8654 9177 8844 9342 8367 7089 9285 9036 8903 8589 8689 9746 9469 9272 8248 6881 8579 5109 6999 9062 9182 8908 9014 8663 1814 8188 9311 8596 8667 9067 9235 8821 8697 8847 8823 8269 8933 9227 8616 517.3624 *517.3629* 517.3629@14.158379 1 1 1 1678 1 1 1 1 1 1 1 1 1 1149 1 1 1 1117 1 1 1 1 1 1 1 1 1 1 1 1 2465 1 1 1 1 1 1 1 1 1 1 1 6662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2387 1 3937 2427 1 1 1 1 1 7454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.3629 *517.3719* 517.3719@14.173006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.3719 *517.7349* 517.7349@0.8373298 8141 8247 7528 7928 7902 8169 8024 8015 7628 7806 7566 7788 8111 7746 8661 7313 8360 7618 7657 7556 7414 8215 7958 8113 7611 7587 7817 8109 7814 7735 7848 7259 7920 8240 8310 7529 8077 8350 8293 1 7474 8244 7885 7312 7441 8300 8258 8002 8414 8134 7553 8037 8485 7965 7668 7676 7812 8178 7575 7960 7960 7230 7711 8158 7874 7264 7328 7689 7317 7541 7349 7406 7332 7547 7194 7925 7758 7986 7655 7292 7490 7814 8146 7455 7073 7370 7281 7345 7862 7626 517.7349 *519.2525* 519.2525@3.908173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1483 1292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 519.2525 *519.3247* 519.3247@4.543035 1 1 1 1029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1140 1048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 519.3247 *519.325* C19 H41 N11 O6 34949 35802 95973 95374 59704 59451 51548 52875 50188 49550 50472 47989 80384 81244 34275 35180 188783 190118 48665 47141 33361 34633 31396 33051 58922 59493 117023 115865 52261 51628 14217 14060 27968 28603 39642 39030 50765 48381 43903 44312 43604 43000 65287 65857 75403 72362 41106 42200 33562 33435 22324 23914 42959 42829 25107 25676 29130 28994 23810 25168 54731 53115 33676 32764 43951 45634 18654 18306 70837 69389 65201 65880 28838 28749 26595 26860 66718 66088 103919 100677 28842 27872 23423 23584 35682 34651 25894 27403 25700 25483 519.325 *519.3253* 519.3253@4.9702163 1 1 1 1 1 1 1 1 1 2139 1 1 1 1 1 1 1 1 1 1 1 1 2975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 519.3253 *519.7313* 519.7313@0.8375322 6391 6540 6472 5781 6533 5711 6226 6328 6532 5831 6116 6418 6329 6402 6160 5710 6126 6235 5973 5815 6457 6065 6039 6245 6057 6032 1 5954 5819 6428 5877 5785 6306 6461 6332 6081 6158 6212 6543 6019 6004 5670 6049 5949 5828 6088 6258 6465 6121 6512 6302 6009 6826 5986 6061 5547 6186 6019 5931 6126 6107 6395 5705 6137 6189 6173 5830 6166 5559 6101 5599 5985 5809 6881 5906 5870 5923 5710 5776 5607 5772 5747 6321 6143 5703 6177 5962 5319 5872 5933 519.7313 *520.1514* 520.1514@4.433139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 520.1514 *520.2832* 520.2832@6.2498217 1 1 1 1 1 1 1018 1 1 1 1085 1155 1 1069 1 1 1 1 1623 1769 1 1 1 1 3553 3207 1 1 1 1 8354 7876 1 1 1 1 1 1 1181 1415 1 1 1623 1633 3288 3273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4361 4813 1 1 1112 1 1 1 9193 9258 3246 2722 1 1 1 1 2346 2240 1 1 1 1 1 1 1 1 1 1 1 1 520.2832 *520.3786* C32 H48 N4 O2 2052 1423 1787 1562 1701 1 1761 1 1721 1694 1711 1627 2084 1950 1664 1781 1663 1 1543 1889 1836 1754 1871 2066 1 1796 2068 1657 1856 1348 1655 1 1807 1807 1942 1781 1897 1709 1729 1816 1905 1844 1989 1770 2059 2021 1701 1700 2017 1619 1 1565 1615 1687 1887 1159 1368 1446 1549 1777 1738 1174 1565 1511 1 1629 1547 1 1573 1417 1565 1519 1492 1669 1777 1534 1803 1 1 1 1601 2054 1321 1333 1872 1254 1445 1901 1562 1 520.3786 *521.5894* 521.5894@14.687165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18024 1 1 1 1 1 1 1 1 1 1 1 1 1475 4074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2627 1 1 1 1 1 1 1 1 1 1233 1 1 1 1 521.5894 *521.5898* 521.5898@14.789208 1 1 6439 1 1 1 1 1 1 26436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4159 5082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 521.5898 *521.5898* 521.5898@14.873856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2216 1 1 1 1 1 1 1 8773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 521.5898 *521.724* 521.724@0.8383603 3897 3923 3730 4044 3926 3870 3939 3768 3934 4183 3711 3782 4255 3585 3945 3996 4047 3835 3746 3745 4054 4117 4236 4123 3695 3707 3907 3792 3838 4158 1 3833 3949 4089 1 4521 1 3620 4336 3908 3945 3777 4152 3700 3922 3788 1 4622 4005 4240 3894 3869 3831 3810 3810 3894 1 4342 3779 4006 4173 3985 3950 3813 3937 3435 3787 3617 3751 4428 3687 3844 3776 3788 1 3597 3875 3867 3936 3909 3823 3875 3757 3663 4166 3712 3760 3706 3700 3533 521.724 *521.9921* 521.9921@6.57121 1 1 1319 1122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 521.9921 *522.3287* C19 H43 Cl N12 O3 2653 2621 2794 2769 1452 2913 1 2738 2863 2353 2635 2833 2676 2015 2818 2243 2773 1026 2998 1647 2438 2612 2967 2452 1904 2654 2585 2780 1488 2962 2678 2685 2650 2874 2373 3018 2847 1551 3019 2832 3184 3225 1025 2812 2959 2233 2525 2587 2789 1761 1807 1803 2995 2465 2715 2425 1945 2494 2448 2837 2564 2684 2744 2685 1457 2929 2654 2530 3404 2089 2924 2460 3024 3079 2956 3032 1616 2821 2752 2405 1 2422 2712 2606 1946 2511 2527 2819 2759 2729 522.3287 *522.3325* 522.3325@14.163079 1 1 1 1 1 1 2540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 522.3325 *522.3419* C27 H46 N4 O6 7221 7378 7241 6376 7648 7161 6799 6765 5054 6852 7346 6959 6822 6631 7018 6849 6854 6933 4528 6838 7114 6547 6601 6752 6736 6598 6485 6421 6553 6881 6002 6714 6265 7018 6643 6239 7000 6615 6732 6746 1562 6149 6645 6450 6559 7026 6684 6964 6595 6909 6711 6672 7070 6307 6578 6523 5722 5695 6251 6707 6663 6056 6616 5589 6209 6387 6019 6228 5976 6282 5988 6878 6394 6945 5905 6888 6272 6280 6350 6140 6047 5616 5766 5556 5521 5900 6332 6383 6151 5693 522.3419 *522.3421* 522.3421@14.026047 1 1 1 1 1 1 1 1 1 1 1 1 1 1140 1 1 1 1 1 1531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1077 1 1 4917 1 1 1 1 1 1 1 1 1162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 522.3421 *522.5933* 522.5933@14.773122 1 1 1 1980 1778 1 1 2146 1 1333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1286 1 1 2695 1 3520 1 1 1 1 1 1382 1 1 1425 1 1 1 1 1 1 1 5383 1 1291 1 1 1 1 1 1 1284 1 1384 1 1 1 1 1435 2660 1 1 2375 1 1 1079 1964 1 1 1 1372 1 1 1 4046 1 1 1 1 1 1 1 1412 1 522.5933 *522.5933* 522.5933@14.789667 1 1 1 1 1218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3352 1 1 1 1 1 1 2366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 522.5933 *522.5938* 522.5938@14.894716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 522.5938 *523.3537* 523.3537@11.824538 1 12654 11596 1 1733 1 1 1 1 1 12943 1 1 1 1 1 1 1 1 1 1 13140 13268 1 1 1 13249 1 1 14912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5676 1 1505 1 1 1 1 1 1 3731 1 1 1 1 1 1 1 1 2520 11433 1 1 1701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 523.3537 *523.3547* C16 H37 N21 11180 1 1 12580 12608 11760 12623 12414 12133 12374 1 12819 12831 12338 12920 14598 13512 12098 12862 12727 12122 1 1 13273 14155 13535 1 15037 12981 1 12889 12945 14486 13520 12460 12611 14473 13752 13503 12998 14874 13446 13353 13850 13030 12731 13101 1974 12594 10836 10226 12570 12314 11735 11101 11796 7225 12166 10558 11935 12438 12117 11887 12660 11927 8938 1758 10857 13565 12141 11981 11199 11884 11373 11876 11866 11352 11368 11163 12503 11000 10613 12144 11153 10532 11140 10779 11572 11158 10579 523.3547 *523.3631* 523.3631@14.1387825 2271 1810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2498 3045 1 2578 2349 2292 1 1 1 1 2660 2218 2742 1 2396 2827 2696 1 1 1 1 1609 1 1 2089 2146 1 1 2209 1 1468 1 1 1 1 1 1 1 1 1 1 1538 2364 1267 1 1 2244 1 1 1 1 1 1 1 1 1 1 1 1 2216 1 2181 1 1 523.3631 *523.365* 523.365@14.130309 1 1 1 1 1 1 1 1 1 1624 2321 1 1 1359 1 2504 1 3167 1 1 2399 2230 2468 1 1992 1 1 1 1 1 1 1 1922 1 2754 1960 1 1 1 1 1 1 1 1808 1 1 1 1 1271 1 1 1 2505 1 1 1 1261 1 1 1 1 2091 1 1 1 1 1577 1 1 1106 1 1 1 1697 1 1 1 1 1 1 1397 1 1 1 2078 1 1 1 1 1 523.365 *523.7129* 523.7129@0.8398158 2243 2447 2153 2365 2621 2652 2247 2352 1 2383 2402 2418 2346 2262 2615 2221 2764 2238 2391 2306 2459 2276 2294 2215 2233 2419 2247 2344 2170 2333 2538 2108 2768 2425 2182 1 2478 2298 2778 2062 2380 2558 1 2553 2592 2232 2482 2503 2725 2071 2487 2315 2779 2468 2275 2258 2220 2264 1 2444 2194 2363 2362 2184 2420 2079 2460 2310 1 1 2024 2315 2347 2383 1 1 2369 2421 2203 2259 2249 2072 2527 2387 2422 2277 1 2250 2449 1 523.7129 *523.8557* 523.8557@11.799927 1 6273 5611 5883 1 1 5545 5591 6020 1 6134 1 6109 6290 1 1 1 1 1 1 1 1 1 1 1 1 1 6117 6466 1 1 1 1 6075 1 1 1 1 6007 1 1 1 1 6657 1 1 1 1 1 1 1 1 1 1 5099 1 2145 1 6011 1 1 1 1 5594 5499 1 1624 1 1 1 1 6004 1 1 1761 1991 1 5503 1 1 1 1 5127 1 1 1 1 1 1 1 523.8557 *523.8565* C13 H11 Cl3 N2 O6 S4 5331 1 1 1 6330 5873 1 1 1 6264 1 5332 1 1 6496 6426 5831 5806 5700 6298 6662 6154 6869 6576 6543 6127 6141 1 1 5748 6392 7070 5487 1 5755 5607 6402 5691 1 5884 6088 6503 5708 1 6368 6354 5776 6774 5752 5936 6182 5912 5991 6122 1 5654 2864 5920 1 5575 5357 5724 5464 1 1 5453 4438 4902 5347 5865 5286 1 6145 5012 3577 3394 5323 1 5099 6213 4591 5348 1 5531 5384 5127 5592 4748 5976 5264 523.8565 *524.2834* 524.2834@4.918251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33584 34228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.2834 *524.3567* 524.3567@11.795643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1748 1 1 2120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.3567 *525.7634* C15 H Cl3 O7 S4 5403 5930 1 5352 5386 5686 5850 6171 5898 5571 5415 5496 5646 5824 5480 1 6112 6030 5552 5023 5570 5434 6001 1 5597 5245 5744 5445 5975 5330 5366 1 6076 5754 6074 13273 5557 13515 6072 5354 1 5415 5802 5544 5392 5634 12697 5893 5452 5089 5813 5840 5817 5612 5408 5434 5824 5669 5460 5449 5630 5821 1 5992 5066 5527 5536 5601 5237 5598 1 1 5269 1 5244 5405 5404 5880 5696 5226 5521 5043 6065 5291 5522 5061 5649 12725 5695 5426 525.7634 *525.922* 525.922@0.80567485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1205 1 1 1182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1066 1 1 1 1 1 1 1 1 525.922 *526.3956* 526.3956@13.099387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11863 1 1 1 1 1 1 1 1 1 1 1 1 2661 1 1 1 1 5396 2616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1061 1 1 1 1462 1 1 1 1615 1 1 1 1 1 1 1 1 1 1 1 1 1 526.3956 *526.3964* 526.3964@12.973188 1 1 1 1 1 1 1 15709 1 9049 1 1 1 1 1 1 1 1 6968 14631 1 1 1 10694 29120 1 1 11000 12759 8933 1 1 1 1 1 1 13477 1 1 11063 1 8215 3234 1 1 1 1 1 1 1 1 1 16505 1 1 21643 6429 1 1 1 1 1 1 1 1 1 1 9084 4395 2285 1 18037 7384 1 3908 5843 14271 1 1 8752 4643 1 1 1 1 1 5887 6458 1 8733 526.3964 *526.3968* C25 H50 N8 O4 25841 30261 30444 28190 30305 29215 29378 14390 27767 21507 31618 28510 28387 30955 29833 30924 27333 27226 22331 9595 28375 31246 29954 6959 1242 27749 25597 20406 13353 16773 28731 30923 29493 27186 27237 28637 9913 29276 29289 15278 28806 15231 22937 27023 27572 35165 23936 21659 26038 25877 19638 23273 7477 22823 22706 1 8399 24125 21567 24273 20684 18993 21385 24353 23282 22102 23714 7821 18244 20578 19435 3907 14924 23627 20843 17023 6296 18837 23272 12572 16234 22476 23349 22847 23317 23110 17518 16524 21635 9042 526.3968 *526.8975* 526.8975@13.023571 11979 1 5027 1 1 1 1 1 1 1 15557 1 1 1 1 15478 1 1 1 1 1 15612 13904 1 1 14324 1 14350 4642 1 1422 1 1 1 1 1 14845 1 1 9759 12785 3097 1 1 1 1 1 1 1 1 1 1262 1 1 1 1382 2643 1 1163 1 6622 1 1 1 1 1 1 7214 1 1 11791 1 1 1 1 4160 1 1 1 10092 1492 1 1 1 10783 11065 1 1 1 2754 526.8975 *526.8977* 526.8977@14.649044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1081 2099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 526.8977 *526.8979* C12 H8 Cl3 N9 O3 S3 1 1 1 13613 15431 13342 14240 14742 14214 1 1 1 1 1 1 1 1 13626 14381 14044 14975 1 1 1 1 1 1 1 9087 14593 1 15198 13800 1 14826 1 1 1 15053 1 1 9581 1 1 14041 1 1 1 1 1 1 1 1 1 1 10891 3723 1 1 1 1 1 1 1 1 10953 10761 3849 7422 11367 1 12697 1 1 1 3140 11697 1 1 1 1 1 1 1 1 1 4460 10518 1 1 526.8979 *526.8983* 526.8983@13.005082 1 14742 1 1 1 1 1 1 1 14927 1 6941 14746 1 13649 1 13317 1 1 1 1 1 1 9008 14248 1 1 1 1 1 13853 1 1 14228 1 16312 1 14125 1 4127 1 1 14055 14060 1 18793 13481 4473 1 12454 11376 1 1 12480 11108 1 2305 11584 10612 12684 1 1 11242 1 1 1 1 1 1 1 1 1 11739 7766 8771 2496 1 10760 10324 1 10280 10797 11974 1 1 1 6590 1 1 1 526.8983 *526.8988* 526.8988@12.994173 1 1 1 1 1 1 1 1 1 1 1 7487 1 14851 1 1 1 1 1 1 1 1 1 4897 1 1 15537 1 1 1 1 1 1 1 1 1 1 1 1 1 1490 1 1 1 1 1 1 6595 12502 1 1 10811 4157 1 1 1 1934 1 1 1 4084 9768 1 12288 3263 1 1 1 4420 1 1 1 1 1 1 1071 1 1 1 1 1 1 1 11726 1 1 1 1 11153 1 526.8988 *527.3538* 527.3538@6.630145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 527.3538 *527.3979* 527.3979@13.019646 1 1 1 1 1 1 1 1 1 1 1 1101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1562 1 1 1 1 1 1 1 1 1 1 1 1 527.3979 *527.4007* 527.4007@13.021885 1 1 1 1 1 1520 1 1 1 1 1 1590 1 1 1 1 1042 1 1 5800 1 1 1 1 1 1 2834 1 1 5770 1 1 1 1 1 1 5590 1 1 2950 1 1 1 2402 1 1 1351 1 1 1 3013 1 1 1 1 1294 1 1 1 1 1 1272 1 1 1 1 1 3972 1 1 1965 1749 1 1358 1 1 1 2542 1 1 1 1 1 1 1 1 1 1 1 4513 527.4007 *527.4638* 527.4638@14.250976 1 1 1 1 1 1 1 1 2031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 1 1 1 1 1 1 1 1956 1 1 1 1 1 1323 1 1 1 1 1 1 1 1 1 2692 1 1 1 1 1 1 1 3227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 527.4638 *527.4647* 527.4647@14.111376 1 1 1 1 1 1 1 1 5258 5583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5277 1 23890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24873 1 7440 1 1 27401 1 1 1 1 27181 1 1 1 1 1 1 1 1 1 1 28629 1 1 1 1 1 1 1 1 22862 1 1 1 1 1 527.4647 *527.4655* C30 H61 N3 O4 1 28944 30501 5262 1 28543 26746 1 26270 23941 1 1 28730 1 1 1 1 27018 29448 28153 1 1 25746 1 6203 32198 1 30947 1 30177 28056 1 7302 28975 32454 1461 30160 23416 29092 1 7914 1 23310 32476 7700 28294 1 24738 24729 27325 26869 27584 1 1 1 25373 13179 26760 17142 1 26368 1 28008 26864 1 4829 21995 1 26382 26621 1 24488 26956 28458 1 1 1 28484 1 26880 27143 26979 27411 5565 4911 1 27932 1 1 1 527.4655 *527.4659* C30 H61 N3 O4 + 14.130106 28472 1 1 23464 30187 1 1 29267 1 1207 29082 29331 1 30261 31365 28015 28022 1 1 1 30275 28840 4899 30613 25504 1 28893 1 30501 1 1 26172 22534 1 1 30126 1 1 1 6790 24407 30526 6881 1 22604 1 26026 1 1 1 1 1 28065 26537 1 1 3050 1 8657 1 1 24264 1 1 1 19699 6365 27613 1 1 25986 1 1 1 28398 1 27966 1 25836 1 1 1 1 20986 1 29485 1 25810 28992 25497 527.4659 *527.7638* C15 H3 Cl3 O5 S5 7144 7065 1 7101 7441 7084 12643 13114 6908 6855 6825 7187 7446 7199 7351 6936 13492 6868 6793 13010 6756 7161 12796 7117 6906 13427 6790 7325 13127 7403 6747 6793 13120 7479 13061 1 7242 1 13134 6751 7446 7060 6712 7101 12252 12142 1 7561 7343 7119 12781 7446 13312 7214 12651 7304 12780 6957 12612 7287 7019 12749 7179 7409 6879 6458 6749 12197 6711 6410 6379 6627 12356 6680 6462 6859 6777 6483 6841 12239 6297 6851 7111 12025 6668 6809 7008 1 6815 12163 527.7638 *528.2049* 528.2049@3.237861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3052 2965 528.2049 *528.3259* 528.3259@12.347896 1 1 1 1 7385 8309 1 4979 1 1 1 1 4974 6420 4199 1 1 1 1 5889 1 1 4432 5496 1 3365 1 1 4839 1 1 7189 6555 1 6415 4806 1 1 1 1 1 1 1 1 4746 1 6057 2697 1 1 7443 1 1 1 7212 1 1 1 1 6048 1 1 1 1 7912 1 5478 1 1 1 1 5718 1 7051 5976 1 1 1 1 5631 1 1 1 1 6642 1 6465 1 1 6196 528.3259 *528.326* C24 H44 N6 O7 12610 12086 13121 12061 5738 4624 3911 7359 13027 13001 12510 1 7340 6864 5827 11315 12593 12977 12540 7644 7269 12741 8153 4851 6651 9952 12926 12549 7430 10347 7754 3232 5954 12641 7487 7764 13483 12485 12525 12664 12664 12103 6046 13696 6009 13220 4313 10005 11580 12736 4679 11361 12439 8496 5634 1 5905 5337 12767 5981 11385 5114 12688 11785 5051 12838 6574 12567 12634 12103 11943 7034 12282 6306 6072 4674 4676 4821 5129 6628 12756 12906 3698 12238 5189 12120 5856 5347 12646 6419 528.326 *528.3732* C35 H48 N2 O2 1140 1 1527 1 1 1 1 1493 1257 1176 1 1458 1703 1400 1 1 1349 1 1 1 1 1282 1 1 1158 1130 1 1 1394 1484 1 1 1593 1485 1153 1253 1692 1 1 1420 1 1 1 1250 1269 1388 1425 1008 1 1471 1253 1283 1 1375 1 1 1148 1094 1 1 1 1 1 1044 1146 1 2308 1320 1 1 1327 1 1201 1324 1 1 1 1 1 1 1 1 1239 1377 1 1075 1430 1 1 1 528.3732 *528.3749* 528.3749@12.251614 1 1 1 1 1217 1 1 1 1 1 1548 1 1 1 1364 1 1 1224 1 1248 1325 1 1099 1 1 1 1 1 1 1 1443 1 1 1 1 1 1 1237 1 1 1 1 1614 1 1 1 1 1 1 1 1 1 1338 1 1 1 1 1 1188 1 1 1 1 1 1 1284 1 1 1023 1 1 1 1 1 1 1 1 1 1401 1 1 1 1 1 1 1 1 1 1 1 528.3749 *528.4679* 528.4679@14.083337 1 1 1 1 1 1 1355 1 1 1 1 1 1 1 1 1730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2621 1 1 1 1 1 1 1723 1 1 1 1 1 1 1 1641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1773 1 1 528.4679 *528.468* 528.468@14.209726 1 1405 1 1 1 1 1 1 1 1 1 1 2071 1 1 1 1 1 1 1464 1 1 1 1 1 1 1014 1 1 1 1861 2307 1 1570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 528.468 *528.8268* 528.8268@12.339742 1 6709 1 7267 3509 6298 1 1 1 7089 1 3876 3772 1 1 6647 6605 6503 1 6991 1 1 6608 1 1 3895 1 1 1 1 6913 1 6417 1 1 1 3421 1 1 6863 1 1 2784 1 6782 1 1 1 6720 1 3553 1 6498 1 1 3536 2010 4338 1 1 1 6610 1 1 4682 1 2823 1 1 6794 1 1 1 3761 1 1 3395 1 2422 1 6362 6282 2891 6512 6323 1 6231 4120 1 1 528.8268 *528.8283* C18 H2 Cl3 N O8 S2 3145 1 6947 1 3334 1 6534 6925 6233 1 6274 3350 2302 7295 6064 1 1 1 6341 1 6463 6631 1 2931 6436 1 6429 6274 7005 6151 1 6587 1 6767 6879 6991 2689 6564 6188 1 6352 6172 4176 6589 1 6750 6482 7181 1 6394 3193 6024 1 6870 3271 2825 1693 2481 6166 7190 7119 1 6660 6733 1902 7150 3632 6822 6181 1 6352 6240 6124 3412 5563 6650 3343 6979 4181 6415 1 1 3544 1 1 6495 1 2639 6614 6416 528.8283 *529.3284* 529.3284@12.335911 1 1 1 1 1 1 2666 1 1 1 1 1 1 1 2265 1 1 1 1 1 1 1 1 2709 1 1 1 1 1 1318 1 2495 1 1 1 1 1 1 1 1 1 1 1 1 2274 1 1 1 1671 1 1090 1420 1 1 1 2226 1 2507 1 1 1 2525 1 1 1 1 1 1 1 1 1 1 1 1 1 2777 1 2590 2264 1 1 1 1 1 1 1 1 1 1 1 529.3284 *529.7586* C18 H Cl3 O3 S5 5295 5677 5772 5505 5590 5666 1 1 5438 5449 5207 5065 5655 4936 5345 4822 1 5161 5129 1 5352 5553 1 5318 5371 1 4859 4929 1 5096 5273 4902 1 5811 1 4858 6347 5812 1 5475 4913 5327 5382 5115 1 1 5483 4900 5317 5210 1 5254 1 5986 1 4907 1 9229 1 5192 5425 1 5719 1 5339 4883 4993 1 4834 4817 4810 5357 1 5138 4967 5137 5185 5085 5172 1 4918 5197 5246 1 5168 4983 4559 5167 5028 1 529.7586 *530.169* 530.169@0.82150495 1 1 1 1 1 1 1 1 1 1312 1 1 1125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1264 1520 1202 1 1 1127 1 1009 1 1 1095 1242 1 1 1 1 1 1 1 1 1 1 1633 1 1 1 1 1 1131 1 1 1 1060 1 1 2016 1 1 1 1 1 1 1 1 1 1243 1 1 1326 1 1 1 1 1953 530.169 *530.1758* 530.1758@3.0996346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2306 2334 530.1758 *530.4007* C30 H58 O5 S 7917 56922 16137 1 1 16846 62210 1 24160 45127 69208 1 25591 62050 68017 1 14665 1 8294 72833 8516 8837 62743 67384 1 66275 47481 27728 15334 8558 1 57916 1 1 57884 3466 15175 5895 62955 61484 11487 1 1 25437 44584 1 1 12841 14725 1 43218 52807 54377 1 13173 1 7131 1 39971 4080 34248 15033 5781 16941 40740 52769 2331 1 1 1 1 1 1 13428 47274 15450 1 1 10680 1 35549 46393 1 1 11722 5004 1 14179 5728 1 530.4007 *530.4008* 530.4008@14.626125 8912 1 12349 8026 15303 1 1 24562 5033 1 1 1 1 1 1 1 1 1 26139 1 7344 1 6608 1 1 1 14208 1 5535 8724 1 1 6836 1 1 4457 10146 5617 1 1 9076 1 1 1 1 18941 7193 1 1 1 1 1 1 1 1 1 3341 1 1 12133 1 1 7365 1 1 1 3208 1 1 1 1 1 1 1 1 1 1 1 4722 6110 1 1 1 1 1 2593 1 1 7683 1 530.4008 *530.401* 530.401@14.679246 1 1 1 17542 11443 1 1 22136 1 1 1 1 1 6672 1 19081 1 1 1 1 3457 8679 1 1 16788 1 1844 1 1 1 59214 1 19388 70159 1 9572 1 7525 1 1 1 1 1 1 1 1 41873 1 1 30500 1 1 1 1 3789 1 9223 16154 1 2631 1 13531 1 1 1 1 10707 48211 34991 12888 1 1 1 1 1 1 13503 48353 1 10829 1 1 1 48495 1 38227 42745 1 1 40181 530.401 *531.3752* 531.3752@11.544964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.3752 *531.3765* 531.3765@11.621903 1 1 1 1 1 1 1 1 1 4824 1 1604 1 1 1 1937 1 3984 2580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2011 1 1 1 1 1 1 1 4720 2551 1 2220 1 1 1 1 1 1 1 1 1 1 1173 1 1 1 1 1 2277 1581 1 2960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2720 1 1 2283 1 1 1 1 531.3765 *531.3769* C28 H53 N O8 101314 109327 108130 106982 112313 104289 107491 107587 105401 109772 105894 102939 104727 105205 104224 113203 105185 105262 104236 94409 98387 101614 102955 103248 103388 104070 107706 104066 112082 101736 104916 98226 103098 102167 101229 106473 100096 103286 103686 102194 97955 101291 101203 99252 98238 84822 69418 67290 65868 65874 62826 66420 63625 62252 61171 66825 61544 61326 63367 62601 63246 62591 61011 64797 63477 59590 63193 64442 62881 64566 61227 64392 63406 62622 63226 62713 61831 58408 63286 62625 62161 61566 62845 59385 62701 60904 61871 61871 62454 65210 531.3769 *531.3947* 531.3947@14.677679 1 1 1 1 1 4045 1 1 1 1 1 1 1 1 1 1 1 1 3984 1 1 1 1 2843 1 1 1 1 3547 1 1 1 1 1 1 1 1 4204 1 1 1 7210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.3947 *531.3983* 531.3983@14.711656 1 1 1 1 1 3532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2855 1 1 1 1 1 1 1 531.3983 *531.7507* 531.7507@0.8353262 3800 4408 3923 3817 4027 4257 3981 3763 1 3776 4017 3803 7214 3512 4261 3859 4371 3877 3673 3810 4158 3821 4194 4433 3733 3822 3913 4141 4028 3840 3952 3835 4070 3974 3341 3965 4162 4516 4688 4189 3781 4002 3914 3891 3721 3711 4221 4356 4395 4713 4218 4052 4268 3751 3962 4167 3781 1 4022 4048 3874 3929 3903 3994 3765 3816 3937 3605 3859 3864 3809 3545 3928 3540 4005 3775 3549 3684 4143 3645 3891 3580 4501 1 3950 3694 3864 3552 4232 4268 531.7507 *532.1142* 532.1142@4.191124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1299 1270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.1142 *532.3322* 532.3322@5.6626325 1 1 1 1146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.3322 *532.3341* C15 H44 N14 O5 S 5640 4901 35773 33673 10894 10752 7767 8576 7844 8205 7638 7366 12643 13149 4482 4978 6358 4955 8573 8956 5828 5881 5109 3886 18288 17436 6597 6244 5953 5708 21889 21478 4359 5006 5905 5746 10700 10468 6208 6344 7153 7195 11225 11347 22527 20918 8555 8607 5420 5527 3154 3598 8280 7999 3572 4162 4704 4544 3586 3502 6649 6728 6321 6211 8047 7779 3105 3125 22989 23589 19616 19224 4290 3595 4085 4114 16603 17244 8470 7827 3855 3258 3646 3494 5798 5726 4369 3561 2716 3267 532.3341 *532.3767* 532.3767@11.499432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.3767 *532.3962* 532.3962@14.670748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1012 1 1 1 1 1 532.3962 *532.8356* C17 H6 Cl3 N3 O3 S4 2156 2141 17193 15719 4312 4422 3856 3688 3330 3197 3437 3697 5531 4889 2059 1906 2839 2254 3572 3847 2381 2429 1766 2421 8795 8937 2683 2346 2467 2393 10802 10932 2215 2182 2488 2434 4615 4822 2798 2849 2967 3193 4798 4626 10534 10318 3699 3763 2203 2352 1148 1370 3602 2942 1113 1241 1813 2104 1635 1524 2427 2848 2787 2935 3674 3190 1351 1374 10473 10456 9506 8995 1928 1814 1696 1613 7931 8079 3482 3768 1775 1719 1872 1398 2401 2699 2016 1629 1474 1525 532.8356 *533.2326* 533.2326@3.897675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1254 1128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.2326 *533.248* C37 H31 N3 O 1120 1449 1 1162 1230 1403 1630 1188 1084 1335 1308 1 1318 1242 1243 1336 1346 1207 1345 1413 1725 1023 1 1437 1305 1473 1264 1 1320 1195 1443 1182 1227 1160 1 1256 1168 1 1336 1327 1305 1262 1081 1 1413 1504 1552 1476 1612 1526 1841 1550 1471 1569 1854 1472 1674 1529 2139 1645 1551 1573 1669 1666 1351 1668 1534 1658 1831 1841 1388 1466 1590 1307 1451 1827 1655 1663 1500 1380 1702 1312 1597 1471 1473 1402 1663 1476 1391 1270 533.248 *533.3035* C26 H48 Cl N3 O4 S 1 3797 6550 6727 5310 5107 4612 5146 4822 4541 5726 5670 18353 19093 3774 3696 105984 107105 6151 6127 4297 4420 3729 3442 4355 4973 6331 5907 8083 7977 1 1 2111 2639 4120 3976 4518 3891 3854 3454 3873 3807 7572 7239 5330 4537 3978 3663 3701 3896 1961 2882 2676 2707 2209 2179 2840 3034 2173 2146 11942 11995 3162 3053 3049 3040 1702 1791 4450 4737 5545 5111 2619 3359 2107 2414 3838 4192 11052 10679 2289 3018 2442 2604 4010 3707 2254 2615 5704 5459 533.3035 *533.7437* 533.7437@0.8358733 2708 2478 2590 2388 2638 2835 2907 1 2613 2727 2766 2171 1 2483 2813 1 2730 2614 2607 2469 2740 2507 2385 2433 2413 2721 2132 2443 2287 2486 2707 1 2403 2778 2612 2708 2679 1 2923 2553 2527 2709 2236 2462 2250 2246 2513 2808 2822 2262 2781 2728 2582 2745 2532 2397 2763 2416 2320 2745 2476 2759 2861 1 2461 2399 2054 2254 2387 2282 2406 2463 2200 2631 2627 2155 2774 2580 2337 2574 2381 2441 2390 2288 2681 2396 2297 2639 2421 2571 533.7437 *534.1653* 534.1653@4.4408364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1611 1512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.1653 *534.1897* 534.1897@3.0070055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.1897 *534.2477* C29 H34 N4 O6 9560 9787 9366 9324 8586 8768 10060 10090 6768 6732 5885 5988 6730 6688 8613 8527 9197 9054 12898 11795 17827 17201 6849 6452 9906 9414 12630 12335 8229 8347 7042 7625 10528 10706 6278 5890 12548 11883 8413 8577 8644 8070 6066 6427 7146 7373 9704 9303 7375 7282 8345 8286 9980 9038 6705 6773 6428 5951 9758 9789 8585 8282 6529 6369 8383 7634 6659 5955 8952 8825 8227 7988 5174 5533 6590 6022 10011 9691 7484 6498 9214 8814 8981 8825 7114 6777 5297 5306 7813 7812 534.2477 *534.3942* C18 H46 N16 O3 63868 65958 63367 61949 62848 62296 63344 64289 64346 62649 65417 63429 57411 63278 68063 65709 60425 58579 63982 59513 65104 63529 62808 62216 61447 63404 63892 61098 63599 64616 64492 63643 63400 61542 59283 61259 63419 66373 65996 60310 62648 62499 62647 61529 77005 59927 59124 52781 58311 54223 55022 57784 58573 55550 59353 58101 54921 56863 57741 57681 54757 50833 53806 56746 51932 51311 56830 58268 59708 55441 53208 59188 55498 60776 53828 54079 57305 55240 58755 52833 56721 57064 55017 58366 57787 59449 58010 57334 57347 56647 534.3942 *534.3948* 534.3948@14.632627 1 1 1 1 1 2829 1 1 1829 1 1 1 10504 1 1 3498 2444 1 1 1 1 1 1 1 3243 1 1 1 1 4033 1 1 1 1 1 1 1 1 1 1 1 1 2446 1492 1 1587 1 1 1 1 1 1 1 3537 1 2466 3169 1 1 1 4012 1 1 1 1 1253 1 1 1 1 1 1420 2899 1 1 1835 1 1 1 1 1 1 2356 1 1 1 1 1 1 2860 534.3948 *534.3957* 534.3957@14.642645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.3957 *534.8948* 534.8948@14.6011 1 1 1 1 1 1 1 1 1 1 1 4685 1 1 1 1 1 1 1 1 1 1 1 1 1 1467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1743 1 1 1 1 1 1312 1 1956 1 1 1 1 1 1 1 1 1 1569 1 1 1 1 1 1 1 1 1235 1 1 1 1 1 1 534.8948 *534.8955* C18 H N O17 S 31856 33222 34732 36887 34479 34367 32914 31744 35536 35273 35056 32037 34589 34056 36010 33766 31320 34301 34810 35459 34546 35101 34518 33985 34721 33619 31694 33634 35599 33508 35032 33700 34629 35002 35731 32503 34491 34617 32641 33128 33330 34776 35755 35328 38422 35295 31650 29100 31805 30428 31549 32892 32373 30417 29561 31579 29554 30965 30558 28550 28092 29510 30441 31281 29531 28096 31557 28615 30418 28598 30144 30031 30650 30353 28448 22921 31960 31402 28809 30416 27163 28293 28325 29431 29595 32267 28121 29692 27731 30053 534.8955 *534.896* 534.896@14.600456 1 1 1 1 1 1 4247 2526 1 2157 1 1 1 1 1 1 1 1 1 1 1 1153 1 1 1 1 1 1 1 1 1 1 1 1 1 3480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1306 1 1 1076 1 2287 1 1 1 1 1 1 1 1 1 1 1136 1 1 1 1 1501 1 2108 1 1 1 1 1 1 1 1 1 1 1 1 1 1194 1 534.896 *535.3964* 535.3964@14.547367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1964 1607 1 1 1 1 1 1 1064 1 1 2581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2370 1 1847 1 1 1727 1 1 1 1 1 1 1 1 1339 1 1 1 1 1 1 535.3964 *535.7907* C20 H2 Cl2 O4 S5 5638 5726 5102 5378 11498 5176 5638 12483 5288 5279 5559 5214 5354 5568 5440 5544 11838 5551 11670 5393 5117 5005 5145 4936 5150 5434 5212 10493 5478 11066 5184 4637 5349 4715 5293 5003 5277 5606 5458 5170 4894 5156 4862 1 1 1 11263 5225 5270 1 5017 5132 5257 2420 5203 1 5187 4909 1 4931 11599 5169 5140 5293 11260 5047 10795 10743 5067 4887 4386 4714 1 5330 10909 4642 4869 5070 5014 10875 4712 4956 5301 5210 5140 4875 4917 4445 5113 1 535.7907 *537.4138* 537.4138@14.453849 1 1 1 1 1 1 1 1 1 1 1623 1703 1 1 1482 1 1 1 1 1541 1 1 1618 1 1 1 1037 1 1 1 1 1 1 1 1 1513 1 1 1 1 1 1 1 1 1 1944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 537.4138 *537.4232* C32 H59 N O3 S 3317 2754 3477 3735 3394 2959 2666 3738 3759 2918 2751 4012 3105 2904 2916 4090 3157 3064 2721 3053 2899 2878 2893 4206 2966 2887 3047 3125 2587 2645 2562 3716 3991 3503 3848 2919 3042 2549 4053 2184 2772 3713 3179 2612 4417 3055 3671 2623 3580 2437 3494 3160 2740 3548 2576 2566 3383 3329 2799 3398 3392 3653 3190 3471 2483 3321 3052 2643 3750 3632 3155 3122 3013 2963 2993 2801 2564 3800 2418 2762 2652 2569 3303 3293 3775 2887 2495 2810 2664 3312 537.4232 *537.7922* C11 H4 Cl2 N2 O9 S5 5821 5885 5749 5310 1 5799 6237 1 5775 11723 5861 5550 5191 5528 5800 5999 1 6265 1 5560 5663 1 5672 5271 5731 12007 5305 1 5766 1 5451 5158 6470 5748 1 5786 5969 6069 6146 4966 5608 5479 5203 11432 5566 1 1 6020 5694 5477 5718 5590 5667 3168 5428 1 7911 5755 5605 5262 1 6074 5821 12156 1 5358 1 1 5270 1 5044 5223 11814 5473 1 5051 4974 5600 5232 1 5028 7497 1 5145 5657 5213 5419 5407 5757 5704 537.7922 *537.7948* 537.7948@0.818008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 537.7948 *538.0425* 538.0425@14.09422 1 1 1 1 1 1522 1484 1 1102 1 1 1 1 1 1068 1 1485 1328 1 1133 1 1 1052 1 1 1 1 1 1 1524 1481 1 1 1 1440 1 1 1268 1 1 1 1 1058 1171 1 1 1 1 1 1 1 1039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.0425 *538.1776* 538.1776@2.9973938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1063 1222 1 1 1 1 1 1 1 1 1 1 1531 1466 3131 3400 1 1 1 1 1 1 1 1 1 1 1 1 1332 1247 1 1 1233 1264 1 1 4058 3788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1511 1 1210 1509 1 1 1 1 1 1 1 1 538.1776 *538.2013* C34 H26 N4 O3 1 1158 1 1423 1113 1 1320 1 1313 1418 1310 1188 1256 1323 1435 1404 1350 1556 1227 1 1111 1201 1 1262 1110 1284 1 1268 1368 1 1534 1570 1346 1298 1264 1431 1167 1228 1185 1 1 1339 1314 1239 1 1657 1606 1574 1373 1485 1869 1952 1656 1652 1968 1731 1331 1503 1429 1780 1506 1190 1429 1673 1582 1379 2065 1524 1 1 1458 1730 1511 1847 1972 1445 1425 1463 1333 1504 1349 1658 1568 1840 1284 1437 1529 1828 1393 1456 538.2013 *538.3598* C26 H42 N12 O 3512 3201 3721 3647 3190 3905 3591 3930 3511 3162 3782 3750 3364 3373 3504 3111 3936 3175 3363 3066 3480 3755 2983 3293 3307 2888 3380 3609 3387 2852 3157 2723 3065 3074 3108 3061 3567 3325 2816 2955 2809 3048 3238 2770 3131 2279 2811 2625 2326 2470 2685 2290 3051 2411 1931 2281 2286 2378 2564 2298 2097 2422 2030 2535 2319 1840 2051 2357 2132 2152 1746 1888 2182 1 1909 1855 1734 1877 1755 1796 2157 1915 2019 1884 1739 1996 1813 1736 2067 1654 538.3598 *538.3765* 538.3765@14.100142 1928 1 1 1322 1 1 1299 1 1544 1 1901 1641 1 1897 1 2054 1625 1278 1903 1695 1346 1908 1 1 1933 1741 1652 1 1622 1747 1 1556 1820 2610 1 1853 2160 1 1 1 1676 1779 1274 1378 1571 1 1 1 2028 1201 1475 1 1 1 1 1 1155 1637 1842 1 1 1 1 1 1586 1 1 1 1 1 1 1921 1 1 1 1 1795 2171 1 1 1 1 1 1 1 1 1 1 1 1 538.3765 *538.4055* 538.4055@14.191129 1 1 1 1 1 1 1056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.4055 *538.8614* C27 Cl3 N O4 S 1770 1690 1710 1811 1588 1762 1410 2059 1809 1739 1501 1714 1943 1806 1698 1624 1599 1870 1616 1471 1348 1782 1448 1739 1502 1894 1808 2418 1745 1568 1624 1325 1291 1505 1519 1 1471 1469 1308 1399 1271 1620 1560 1451 1584 1381 1157 1342 1568 1368 1307 1 1 1 1184 1225 1 1025 1100 1355 1 1191 1194 1 1043 1 1174 1073 1 1 1247 1 1 1 1 1197 1 1 1 1 1 1 1108 1 1 1003 1 1 1 1 538.8614 *539.2024* 539.2024@3.2360933 1 1 1503 1775 1 1 1 1 1 1 1882 2158 1 1 1 1 1794 1 1 1 1 1 1 1 1 1172 1598 1 1496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2864 2500 1 1 1438 1570 1 1 1715 1687 1 1 1 1 1 1 1 1 1 1 1 1 3173 3221 1 1 539.2024 *539.3269* 539.3269@6.0318 1 1 1002 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 539.3269 *539.4386* 539.4386@12.31731 1419 1 1534 1 1274 1 1 1 1 1 1 1 1 1179 1077 1409 1 1 1 1 1642 1 1428 1 1251 1327 1282 1388 1 1568 1 1363 1 1473 1 1375 1 1 1 1431 1455 1453 1552 1 1637 1 1 1 1 1612 1317 1379 1 1 1 1537 1 1 1149 1403 1 1 1 1118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1209 1184 1 1 1 1 1 1 1 1 1 1 539.4386 *539.4391* C25 H53 N11 O2 5818 1 1 4965 5737 5491 5805 5385 1 5749 5851 5963 5748 5707 5363 5684 5276 5279 5792 1 5199 1 6000 1 1 5081 1 5637 5845 5335 1 1 5078 5317 5216 5488 6023 4689 5615 5435 5120 4975 1 1 5748 5045 5214 4853 1 5302 4804 5172 5651 4811 1 5432 2325 5093 4688 4750 1 4772 4561 4879 1 5035 4582 4345 1 4819 4767 4979 4866 4483 1 1 4570 4341 4762 4900 4622 4247 4253 4755 4422 5093 4632 4679 4719 4806 539.4391 *539.4399* 539.4399@13.828873 1 5224 5808 1 1 1 1 1 5173 1 1 1 1 1 1 1 1 1 1 5573 1 5475 1 5246 5410 1 5592 1 1 1 4954 5662 1 1 1 1 1 1 1 1 1 1 5103 5677 1 1 1 1 5363 1 1 1 1 1 5248 1 1270 1 1 1 4683 1 1 1 5093 1 1 1 5262 1 1 1 1 1 5465 4532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 539.4399 *539.4428* 539.4428@12.320424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1086 1 1 1 539.4428 *539.7822* 539.7822@0.86402416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3507 1 1 1 539.7822 *539.7863* C14 H2 Cl2 N2 O7 S5 5426 5636 5430 5006 5641 3158 10711 5763 5660 1 5713 5803 5321 4948 5765 4805 5373 5363 5304 5249 5219 1 5264 5392 5305 1 4887 4981 5350 4995 5771 4993 10669 5768 5313 5358 5565 1 5650 5172 5057 5378 5388 1 4891 4742 10451 5155 5699 5446 5453 5756 6127 5618 5765 5143 2334 5785 5396 1 3658 5611 5273 1 5311 5013 2475 4841 5166 1 5098 4681 1 5851 5246 5529 4913 4940 4873 1 5024 3110 5471 4971 5438 4712 2474 5321 5255 4925 539.7863 *540.2573* 540.2573@4.9187512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2533 2209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 540.2573 *540.4402* 540.4402@13.829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 540.4402 *541.2319* 541.2319@4.882617 1 1 1 1 1023 1050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.2319 *541.7773* C11 H5 Cl3 N2 O7 S5 8353 1 4910 4888 4687 4666 1 4662 4735 1 4826 5288 4339 4694 8124 4876 5034 4776 4093 4418 4727 4984 5144 4488 4956 4580 4565 4243 4471 4237 4561 4621 1 4694 4626 4781 4497 4904 1 4293 4103 4349 4084 4579 4660 4680 1 5119 3040 1 4408 1925 2263 4887 4676 4338 3433 4504 4791 4624 4876 1 4380 4418 4473 4142 4120 4256 4462 4617 4493 4282 4625 4947 4385 4649 4642 4402 2118 4451 3889 2697 4646 4002 4423 4293 4488 4764 4307 1 541.7773 *541.7777* 541.7777@0.8500166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2793 2766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2221 1 1 1 1 1 1 1 1 1 1 1 541.7777 *542.2517* 7-DEACETOXY-7-OXOKHIVORIN 1072 1600 1099 1231 1163 1301 1415 1 1 1223 1414 1376 1086 1 1293 1405 1103 1077 1175 1354 1105 1225 1328 1380 1161 1304 1337 1 1120 1 1 1 1307 1513 1167 1 1014 1 1050 1619 1132 1 1 1 1347 1083 1 1042 1031 1136 1121 1056 1256 1 1155 1 1299 1 1 1 1004 1005 1071 1 1 1 1 1 1 1 1 1032 1 1 1119 1052 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 542.2517 *542.3933* 542.3933@13.393688 1254 1309 1 1057 1385 1026 1193 1499 1380 1 1 1263 1 1 1273 1 1 1 1 1740 1 1 1433 1 1 1 1 1 1066 1357 1281 1 1 1316 1 1 1 1611 1 1 1 1 1 1 1 1061 1180 1 1338 1185 1 1 1 1298 1 1077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1237 1 1 1 1306 1 1 1227 1 1 1258 1502 1172 1 1 1 1 542.3933 *543.6127* 543.6127@0.8526627 2522 2419 2566 2562 2471 2561 2219 2433 2314 2204 2215 2327 2288 2666 2495 2276 2429 2680 2541 2288 2555 2013 2555 2538 2297 2384 2652 2415 2340 2127 2403 2349 2495 2436 2315 1 1 1 2579 2487 2457 2304 2546 2518 2329 2355 2311 2171 2506 2493 2259 2395 1 2549 2049 2021 2231 2250 2394 2533 2064 2134 1898 2348 2238 2542 2539 2344 2185 2313 2387 2104 2454 2190 2465 1 2424 2498 2255 2085 2430 2495 2412 2162 2351 1227 2540 2397 2139 2205 543.6127 *543.7677* C14 H2 Cl2 O9 S5 1 2846 2520 2637 3114 3080 2681 3034 2838 2928 2951 2920 2971 2634 1 2467 1 2866 2572 3074 2968 2783 2518 1 2672 2936 2941 2773 2541 1 2307 1 2431 2702 2746 2673 2742 2791 2402 2978 2781 2725 2498 2894 2336 2407 2853 2925 1670 2666 2704 2588 3149 2657 2500 1 2433 2626 1588 2433 2817 2252 3057 2912 2475 2652 1 2615 2410 2730 2407 1 2652 1 2418 2532 2660 2068 2787 1353 1 2737 2784 2752 2689 2679 1432 2612 2793 1 543.7677 *543.7731* 543.7731@0.830013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2417 1 2618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 543.7731 *543.8836* 543.8836@0.80399084 1 1 1 1000 1 1 1 1 1 1 1 1 1 1 1271 1 1 1 1 1 1 1203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 543.8836 *545.223* C21 H23 N17 O2 5789 6079 6475 7042 4762 4440 6401 6282 4840 4406 7216 6714 5493 5948 5394 5953 8082 8175 4890 5370 4910 4874 4708 4247 5228 5529 6542 5686 5902 5962 5921 5965 5822 5771 5673 5661 4249 4073 4928 5135 5952 5823 5640 5952 4459 4245 5153 5629 5521 5692 4859 5361 6151 6400 4159 4375 4885 4700 4398 4426 5270 4548 5972 5461 7686 7181 4317 3690 6166 7143 4588 4763 7259 7117 5806 5716 5356 5111 4932 3709 4775 5197 6027 6010 4105 4283 8698 9216 4726 4360 545.223 *545.3686* C27 H51 N3 O8 8909 9008 8741 9522 8790 8473 8152 8700 9272 8756 10725 8961 9132 9734 9288 9166 2777 9749 9228 9160 9666 8745 9361 10183 9102 9518 9581 1 10730 9727 9636 8997 9884 9638 8887 8490 8050 9529 10235 8465 10036 8905 10229 10509 10253 9388 9266 8840 9496 8554 9203 9328 8454 9547 9618 9432 7385 9097 9685 9391 8599 8691 9716 8795 9046 7338 9378 9188 9075 7965 10066 1 10522 8565 8803 9644 9249 9305 7812 10091 8921 8541 9129 9919 7087 9301 1 8824 7959 8564 545.3686 *545.3692* 545.3692@11.784116 1 1 1 1 1 1 1 1 1 1 1207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9322 1 1 1 545.3692 *545.39* 545.39@12.100545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2271 7998 2077 1 8359 1 1 545.39 *545.3915* C33 H55 N O3 S 12128 11376 13360 13083 11359 12479 11937 12887 11767 11730 12548 7927 11471 11715 11833 11655 11342 11376 12573 11143 12959 11136 12816 10580 11482 11213 11506 11068 13208 12333 12762 12474 10244 10955 10473 11906 12444 11158 11768 11293 11849 10945 11692 11228 11238 8992 10187 9059 9608 9377 9184 9182 8679 9743 9880 10169 6094 8195 9621 8164 8420 8616 9845 9828 8581 7246 9605 8182 8530 9338 9819 9407 9828 7867 7241 9517 7652 8717 11041 9098 9075 7733 7291 4633 1 6917 9146 1 7010 9577 545.3915 *545.3939* 545.3939@14.905223 1 1 1 1 1 1 2728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 545.3939 *545.6074* 545.6074@0.8528597 7231 7543 7517 7763 7960 8127 7194 7153 6990 6947 7309 6995 7755 6974 7447 6891 7195 7062 6318 7024 7102 7270 7361 7475 7333 7359 7865 7200 6807 7186 7094 6825 7181 7393 6902 7298 7025 7106 7577 7026 7258 7052 7437 7034 7110 6745 6646 6977 7581 7503 6700 6918 6963 7117 6331 6512 7254 7510 7360 6992 6685 6194 6427 6536 7142 6334 6443 6673 6900 6813 7114 7070 6917 6989 6871 7588 7171 6786 6752 6630 6899 6890 7517 6788 6443 6501 6396 6547 6939 6788 545.6074 *545.8009* 545.8009@0.8516845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1165 1 1 1 1 1 1 1 1 1250 1 1 1 1 1 1 1670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1350 1 1 1 1 1 1087 1 1 1 1 1 1 1 545.8009 *545.8061* 545.8061@0.851006 1 1 1 1 1 1 1 1 1441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1277 1 1 1 1 1 1 1 1 1 1 1 1291 1 1630 1 1 1 1 1 1 1 1 1 1 1310 1 1 1 1 1 1307 1 1 1 1 1 1 1537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3053 545.8061 *545.8149* 545.8149@0.8520086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 545.8149 *545.82* C11 H8 Cl2 O13 S4 4599 4503 1 3050 4218 4262 4747 4614 2899 4737 7390 1 4329 3200 3169 2899 4980 4273 3611 3261 4193 4003 1191 3073 4112 4444 4163 3395 4210 3266 2667 3107 4042 4501 4337 2851 4649 1 1 4238 2940 4161 3534 4030 3972 6612 3503 2831 2882 7574 3435 3843 4501 6771 3234 4479 4375 4449 1 4341 4316 2821 3814 4418 1 4140 4352 1 4045 4108 4073 3926 2778 4651 3521 4196 3000 3365 4581 2844 4125 2798 2955 2740 2703 2948 6611 4215 1811 2830 545.82 *545.8683* 545.8683@11.777522 4976 1 1 4431 1 1 1 1 4395 1 1 1 1 4794 1 1 1 1 1 4885 1 5212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3105 1 1 1 4131 1 1 1 4934 1 1 1 4516 1 2866 1 3981 1 4969 1 1 1 1 1 1 4761 1 1 1 1 4515 1 4058 1 545.8683 *545.8699* C18 H4 Cl2 O14 S 1 4230 4727 1 4782 4861 4980 4748 1 4652 4964 4935 4634 1 4669 5517 5416 4784 4736 1 5072 1 4900 5360 4960 5282 5228 5853 5148 4524 4488 4948 5512 5336 4569 4945 5078 5141 5188 5430 4725 5416 3586 4513 5056 4791 4847 5100 4888 4904 5049 4878 4363 4663 4639 4923 1694 5213 5067 4115 1 4803 4697 4298 1 4853 4627 5038 1 5153 1558 4510 1 4407 1 4917 4479 4809 4441 4661 4049 1 4213 4624 4747 4284 1 3884 1 4486 545.8699 *546.1693* 546.1693@2.977168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.1693 *546.3217* 546.3217@5.0510497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.3217 *546.3715* 546.3715@11.787068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.3715 *546.3934* 546.3934@12.110867 1 1 1 1 1 1 1 1 1 1 1 2983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.3934 *547.283* 547.283@4.902017 1 1 1 1 1 1 1 1 1 1 1 1 8584 8325 1 1 40700 40126 1 1 1 1 1 1 1 1 1 1 1044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4949 5131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1630 1597 547.283 *547.3187* C36 H41 N3 O2 1491 1277 1274 1049 1307 1271 1301 1502 1594 1221 1080 1378 1 1379 1 1111 1092 1263 1081 1343 1 1223 1 1067 1166 2028 1616 1124 1 1 1507 1338 1340 1213 1197 1165 1 1101 1068 1170 1286 1053 1205 1 1520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1005 1302 1 1 1 1 1 1 1 1873 1 1 1 1 1 1 1 1 1 1 1 1 547.3187 *547.3193* 547.3193@5.526928 1 1 1875 1809 1 1 1 1 1 1 1 1 1729 1 1 1 1 1 1 1 1 1 1023 1 1 1 1 1 1 1188 1351 1596 1 1 1 1 1 1 1 1 1 1 1 1 1887 2157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1154 1 1 1 1 1 1 1 1474 1 1 1 1 1 1 1 1 1 1 1 1 1 547.3193 *547.338* C29 H49 N5 O S2 5742 5448 5761 5925 5824 6063 5607 6438 6400 5888 5559 5937 5592 5978 5779 6239 6090 5862 5841 5948 6246 5921 5835 5827 6193 6556 5884 6001 5790 5800 5974 5824 5714 6499 5973 5901 5479 5928 5726 5774 6233 5776 6111 5876 5130 3557 3505 4017 3458 3260 3689 3568 3781 3684 3582 3195 3618 3516 3247 3788 3758 3930 3681 3549 4881 4908 3780 3997 3863 3616 3960 3672 3695 3685 3271 3724 3933 4142 3428 4011 4138 3864 3845 3971 3754 3454 3954 3849 3675 3617 547.338 *547.6039* C38 H77 N 9147 9625 9570 9582 10110 10008 8569 8560 1 9309 1 9053 9449 9651 9783 9157 9529 9254 8959 9005 9107 9217 10121 1 9060 9412 9692 9274 9270 9500 8915 1 9840 9544 9479 1 8995 9221 10139 9392 9302 8969 1 9115 9414 8844 1 8410 9849 9361 8639 8774 9657 1 8173 8009 4586 1 9380 9458 7881 1 8345 8813 9123 8918 8887 9137 8895 8507 9681 1 1 9025 10265 9331 8988 8677 8170 1 9102 9111 9752 8828 8642 1 8235 8775 8605 1 547.6039 *547.6049* 547.6049@0.8518855 1 1 1 1 1 1 1 1 8912 1 9122 1 1 1 1 1 1 1 1 1 1 1 1 9699 1 1 1 1 1 1 1 8760 1 1 1 9250 1 1 1 1 1 1 9176 1 1 1 8508 1 1 1 1 1 1 9367 1 1 4684 9848 1 1 1 8354 1 1 1 1 1 1 1 1 1 9374 8917 1 1 1 1 1 1 8428 1 1 1 1 1 8537 1 1 1 8569 547.6049 *547.8055* 547.8055@0.84800756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1073 1 1 1549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 547.8055 *547.8097* 547.8097@0.8543409 1 1 1 1 1 1 1 1 1128 1 1 1 1173 1 1 1 1 1 1 1 1227 1 1 1 1 1 1 1 1 1 1 1 1213 1 1 1135 1 1313 1380 1 1 1 1 1 1 1 1 1311 1145 1 1160 1219 1 1 1290 1 1 1 1 1 1293 1 1 1 1 1 1100 1 1 1080 1 1 1 1 1 1 1392 1 1 1 1 1 1132 1039 1 1 1 1 1 1 547.8097 *547.8229* C12 H6 Cl2 N4 O7 S5 3238 1 3268 2944 1 3108 3157 3639 2059 2948 1 1 1 2359 3664 1 3643 3361 2576 1 1 3553 2061 2007 1 1 3336 3401 3143 3199 3049 3244 1974 3028 2714 1831 3218 1 1 4754 3086 2935 1 3077 3102 1 3359 2106 1 1 1949 2033 2617 1 1 3203 3448 1 3138 2762 1 3053 2846 3134 2148 1 1 1 2786 1 2955 1 5040 3482 2573 2813 1 1 3260 3094 3066 3095 1 1859 2842 2080 1 3149 3154 1 547.8229 *548.1719* C32 H20 N8 O2 1 1225 1911 2494 1 1 1142 1214 1810 2051 2896 2668 1378 1330 2092 2939 2112 1721 3905 3821 5341 4929 2975 2674 1123 1034 3627 3626 1313 1321 5485 5787 3622 3545 2564 2673 2968 3297 2595 2969 2981 2716 2761 2889 2835 2687 3308 3446 3244 3456 4243 4554 3728 3794 1294 1280 2033 2163 2764 2756 3482 3337 4545 4467 3206 3123 2680 2544 3005 3138 3518 3836 1199 1339 4477 4411 1549 1507 1364 1159 3262 3256 2981 2759 5157 5611 3516 3171 1 1029 548.1719 *548.4085* 548.4085@12.941281 1 1 27765 26867 1 1 1 1 6707 1 2917 1 1 1 1 1 1 1 1 1 1 1384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14699 1 1 1 1 1 1 1 5594 1 1 1834 23192 1 2529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1997 1820 25600 1 3550 2853 1 1 1 1 1 1 548.4085 *548.4092* 548.4092@12.928551 1 1 1 1 1 1 1 31352 11593 1 1431 1 1 1 1 14537 9664 1 1 1 1 1 16371 1 1 1 12354 1 1 1809 1 1 1 1 27626 1 17082 1 1 1 20976 1 1 25900 14871 1 3124 1 1 1 1 1 11135 1 17210 1 3054 1 1 4416 1 1 16498 1 1 1916 1 1 15989 18872 1 1 1 1 1 1 4225 1 13811 1 1 1 1 1 1 1 1 1 16045 1 548.4092 *548.4095* C19 H48 N16 O3 28752 34652 1 1 34183 33037 29256 4057 7059 33758 31144 34767 31950 31522 32605 19755 11746 27579 32653 28047 33706 25627 8081 33681 30199 32188 11816 30873 32573 28946 29567 31489 33696 36338 5685 33471 12662 32515 35423 27535 8516 30584 31568 9614 11903 39821 28242 24962 11180 27712 28646 28129 10029 27215 5047 26804 6971 28839 27925 22511 1 23820 5969 26202 27680 24397 26498 25007 8902 7447 24108 27682 29171 27804 26925 26749 21713 21133 6397 25065 1 23720 17112 7394 25292 26191 26408 4524 10520 23444 548.4095 *548.4107* 548.4107@14.688375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 548.4107 *548.9102* 548.9102@12.906378 1 1 1 18227 1 1 1 1 1 1 1 17547 1 1 1 1 1 14046 16064 1 1 7942 10282 1 1 2434 1 16797 1 1 3093 1 1 1 1 1 1 1 1 1 1 1 1109 1821 1 1 16177 1 1 6080 1 1 8069 13108 1 1 1307 15337 1 1 1 1 1 1 1 1 1 1 3519 1 12462 1 1 1 1 1 1 1 1 1 12628 1 6565 5415 1 1 8085 1 1 1 548.9102 *548.9108* C19 H3 N O17 S 1 18233 18431 1 18325 15291 17483 17926 18134 16839 17182 1 17994 16665 18430 16989 15893 1 1 19575 18187 9625 1 18494 18039 8715 16500 1 16486 15797 13866 17889 17365 1 16678 16490 17449 16829 18730 15505 16885 16249 9615 11204 17351 24300 1 1 15351 1 14359 12671 4567 1 12688 13871 4162 1 14277 13557 10371 11967 13100 13427 12800 2458 13626 12245 1 14340 1 13070 7703 12687 12580 12617 13309 14717 13505 13149 1 1 3074 1 14743 12585 4482 8630 5405 13505 548.9108 *548.9118* 548.9118@14.634361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 548.9118 *548.9123* 548.9123@12.844781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4307 1 1 1 1 1 1 1 1 1 1 1 1 3425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 548.9123 *548.9124* 548.9124@12.90483 6088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7050 1 1 1 1 1 1 1 17338 1 1 1 1 1 1 1 1 6040 1 1 1 1 13700 1 1 1 1 1 1 1 1 2834 1 1 1 1 1 1 1 1 9948 1 1 9491 1 1 1 5249 1 2002 1 1 1 1 1 1 13109 3322 1 1 1 1 5202 1 1 548.9124 *549.1874* 549.1874@0.90799063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 549.1874 *549.3166* C28 H39 N9 O3 3133 2964 3186 2955 2862 3087 3266 2577 3369 2927 3256 3065 3291 3179 3338 3078 3429 3004 3358 3392 3069 3431 3048 2972 2789 3183 3377 3111 3596 3400 3349 3511 3411 3180 3770 3401 3494 3306 3316 2963 3443 3563 3401 3371 2695 1774 1763 1845 1555 2064 1867 1932 2062 1761 1857 1851 1491 1498 2200 1811 2055 1734 2331 2051 1718 1883 2397 1713 1934 1821 2035 2250 1851 2103 2265 2294 2373 2236 2076 2433 2442 2023 2007 2039 2372 2504 1953 2099 2433 2444 549.3166 *549.4108* 549.4108@12.890503 1 1 1 3047 1 1 1730 1 1 1 1 1 1 1 1 1 1 1 1 2237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2284 3758 1 1 1 2906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1307 1 1 1 1 2320 1 1 1 1 1 1 1 549.4108 *549.4136* 549.4136@12.87673 1 1 1 2845 1 1 1 1 5161 1 1 1 1 1 1 1 3437 1 1 3477 1 1 6499 1 1 1 5797 1 1 1 1 1 1 1 1 1 1 2353 1 4030 1 1 1 1 5145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1452 1 1 1 1 4882 1 1 1 1 1 1 549.4136 *549.4712* 549.4712@14.883633 4481 1 1 1 1 1 1 1 3092 1 1 1 1 1 1 1 1 1 1 1 1 1 9065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 549.4712 *549.6018* 549.6018@0.853285 7239 7270 7405 7093 7077 7534 6679 6755 7151 6524 6482 6725 7348 7451 7436 6634 7191 6455 6778 6433 6888 6602 6672 7536 6642 6632 7246 6643 6794 6912 6744 6567 6995 7110 6839 6914 6816 6681 7502 7326 7096 6510 7057 7007 6514 6467 6170 6193 7021 7086 6376 6556 7000 6663 6254 5949 1 6822 6744 7150 6096 6236 6011 6202 7178 6199 6694 6615 6459 6325 7504 6647 6536 6752 7134 6862 6763 6948 6424 6122 6670 6563 7455 6803 6264 6471 6177 5993 6399 6491 549.6018 *549.6205* 549.6205@14.200852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 549.6205 *549.6208* 549.6208@14.260692 1 1 1 1168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 2008 1 1 1 1 1 1519 1017 1 2387 1 1 1483 1 1 1 2688 1874 3121 2189 1 1 1 1 1 1 1 1 1 1 1 1 1 2272 1 1 1 1 1 1 1 5748 1 1223 1158 1 1 1 1 1 1 1 1 1 1 1 1 1 2193 1 1 1 1 1 1841 549.6208 *549.8026* C16 H3 Cl O10 S5 2670 2895 2823 3246 3075 3261 3045 3112 1 1 2917 1 2622 1 2855 1 3063 2845 2712 2788 2996 3040 3013 3087 2163 2768 2856 2631 2702 2825 2610 2960 2840 2639 3255 3301 3455 1 2291 2715 2805 2818 2913 2441 2656 2842 3050 3436 3030 3152 2741 3038 3359 3323 3090 1 2939 3294 3064 2891 3261 2855 2825 1 2912 2689 2778 2942 2864 2731 2430 2515 3214 3103 2746 3032 1 2889 2832 2407 2879 2993 2908 3008 1 2592 2325 2725 2832 2869 549.8026 *549.815* C13 H4 Cl2 O14 S3 2163 2138 1 1 2057 1 1 1 1 1 2000 4619 2416 2245 2427 2206 1 2222 1 2294 1 2042 2265 2285 2605 2110 2082 1 2009 1 2050 2104 2218 2106 1736 1 1 1 2413 1 1 1 2204 2297 2172 2271 2087 1 1 1 1941 1834 1 1 1 1 2156 1 1 1 1 1999 1 4338 2002 2162 1 1890 1 1 1 1 1 2078 1717 1 1 1 1 2159 2104 1 2080 1823 4347 1956 2307 2041 1 1 549.815 *550.3395* C18 H42 N14 O6 1 8179 18783 9650 6806 10182 8949 8820 18838 5744 6099 1 16577 6884 9625 18465 9994 6394 7135 1 1 14089 1 7470 5661 5412 1 10791 18725 1 17425 6128 7257 6438 10160 1 1 8419 6671 18190 7892 17962 8013 1 6905 9822 7782 17315 9120 19425 18490 10076 10544 19015 14390 6721 4636 12651 8317 7597 6518 7650 1 15538 5805 18255 9511 7827 17396 18680 7233 1 14811 6772 6155 7633 1 10539 7480 6321 13828 1 1 13885 18465 1 6387 7640 7717 1 550.3395 *550.3395* C29 H42 N8 O3 17017 10512 1 7651 11954 8259 8908 9000 1 11806 8796 19050 1 7855 5419 1 8113 1 6922 12449 18420 1 17178 7618 11302 1 14645 7091 1 18286 1 11884 10883 11315 8492 17286 18369 10647 10957 1 6861 1 10692 8046 12399 7751 10534 1 8773 1 1 7765 7473 1 1 11667 6959 6331 5900 6442 1 10530 17834 1 8194 1 8284 10553 1 1 11767 14207 1 6967 10931 10708 15853 1 11164 8228 1 12795 18041 1 1 17664 7756 10253 10717 18717 550.3395 *550.3539* 550.3539@14.90271 1 1 1 1 1357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 550.3539 *550.3836* 550.3836@12.224944 1 1 1 1 1 1 1 1 1 1 1 1 1 1336 1139 1 1 1 1 1 1 1239 1 1 1080 1228 1 1 1183 1 1 1 1 1 1 1 1 1 1112 1390 1 1 1 1 1 1349 1 1 1095 1 1 1 1 1063 1 1 1 1 1 1 1 1 1 1 1 1095 1 1 1 1 1 1 1 1 1 1 1 1057 1 1 1 1 1 1 1 1111 1 1 1 1 550.3836 *550.8412* C21 H7 Cl2 N O3 S5 10184 6751 9961 4453 10250 5397 5322 5172 10130 10090 1 6072 9863 3814 10230 10276 9988 1 5086 4422 1 9353 10544 5615 9989 5310 9819 6621 4882 10775 9989 4433 10686 3464 3759 9832 10078 6447 1 9966 5108 9714 5016 1 3935 6196 5006 10439 1 11176 10294 4995 9529 6199 9806 5891 4692 10457 9983 9547 1 10268 9619 10430 1 9425 5943 4255 3504 1 9971 1 9774 5208 4106 1 11084 7185 4616 6324 1 4337 9619 9461 10172 10538 1 9564 6439 10352 550.8412 *550.8415* 550.8415@12.301563 1 3502 1 5951 1 3819 1 5045 1 1 9617 1 1 5687 1 1 1 10560 5081 4989 9993 1 1 1 1 4650 1 1 5004 1 1 1 1 5890 1 1 1 3703 4908 1 3863 1 4096 10857 6379 4232 5442 1 4200 1 1 5143 1 3790 1 4316 2213 1 1 1 9841 1 1 1 10578 1 4302 6331 1 9322 1 9985 1 4079 5799 9573 1 3327 5757 3536 9813 5397 1 1 1 1 4210 1 3875 1 550.8415 *551.2425* C17 H33 N11 O10 8583 9189 8107 8304 8304 8882 8727 8733 9150 9789 7804 7711 8789 9329 9758 8214 8289 8222 8985 8839 8252 8496 9612 8669 8081 7886 7775 7905 7506 8083 8434 7861 9534 9129 8556 8268 9093 8306 9012 8859 8072 8411 8694 8347 8980 8611 8294 8602 8091 7786 6406 6469 7289 7460 8194 7549 7168 7569 7305 7889 7477 8016 7634 7697 6734 7087 8599 9784 8115 6982 7567 7624 7099 6930 7502 7008 8131 8181 7713 8138 7529 7020 7204 7639 7394 7705 7047 6723 8133 7868 551.2425 *551.3261* 551.3261@7.375532 1 1 1 1117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 551.3261 *551.3428* 551.3428@12.30234 1485 1 1 1 1 1 1 1 1 1 3833 1 1497 3530 3852 1 1 3852 3722 1 1 1522 1192 4253 1 4079 3237 1 1 1 1183 1 1 1 1 1 1 1 1 1 3899 1 1 4072 1 1 1 1956 1 1 1 1 1 1 1476 1 1 1 3687 3576 3787 1 1 1624 3420 1 1 1 1 1 1 2238 2093 3452 1 1 2619 1 1 3842 1420 1 1 3378 1 1 3454 1 1 1 551.3428 *551.3443* 551.3443@12.304797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1414 1512 1 1 1 1 1 1 1 2036 1 1 1 1 1 1 1 1 1 551.3443 *551.4897* C30 H61 N7 O2 61008 64207 67934 68655 1 63478 70384 62934 1 75311 73503 71616 64914 67228 1 7666 1 58073 75368 65519 62610 1 1 65047 69241 63071 68835 1 67066 68289 65606 67248 58843 71822 64216 61082 1 66260 69869 66462 68029 67777 59091 1 61095 67661 1 52643 1 58453 62784 69702 63178 1 58089 65235 33530 60463 53445 58765 54714 1 1 56587 63111 1 57637 1 1 57010 1 1 61026 1 57946 60312 60071 60382 1 61270 57780 1 61672 63466 61543 63073 58325 1 1 1 551.4897 *551.4899* 551.4899@14.116614 1 1 1 1 70641 1 1 1 51989 1 1 1 1 1 71339 61508 64949 1 1 1 1 61313 65475 1 2246 1 1 74183 1 1 1 1 2781 1 21475 1 69246 1 1 1 1 1 1 60958 1 1 61749 1 63779 1 1 1 1 60926 1 1 20018 1 1 1 1 55136 53033 7161 1 58869 1 55798 58344 1 57769 50428 1 60910 1 1 1 1 57006 1 1 60130 1 9102 1 35423 1 53403 57860 53973 551.4899 *551.4913* 551.4913@14.658925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1731 1 1 1 1 551.4913 *551.5995* C37 H77 N O 3424 3267 3484 3359 3458 3349 3135 3403 3255 3373 2991 3000 3616 3538 3510 3332 3257 3284 2716 2903 3685 3602 3588 3437 3051 3319 3173 3420 3212 3291 3155 3150 3396 3442 3333 3298 3090 3193 3395 3089 2986 3305 3463 3320 3125 3441 2719 3053 3566 3147 3319 3152 3361 3345 3120 3266 3385 3243 3304 3089 2577 2668 3076 2811 3298 3158 3131 3065 2905 2934 3071 1 3215 3150 3182 3657 3223 3006 3222 2891 2971 3537 3197 2973 3204 3072 2748 3080 3282 3312 551.5995 *551.7953* C14 H2 Cl2 N4 O6 S5 4065 4328 3972 4509 4797 4796 4553 4846 4288 3939 3930 3420 3590 3845 4153 4258 4140 4116 4043 3508 4152 4183 3983 3836 4183 3941 4394 4450 3307 4159 4366 4341 3762 3933 4459 3979 4133 4011 4196 3730 4183 3764 3567 4192 4125 3949 4850 4873 4095 4468 4737 4126 8384 4612 4125 4148 4334 4282 4299 4070 4140 4605 3909 3866 4051 4042 4486 4366 3805 3983 3453 3905 4751 4545 3454 3798 4081 3364 3880 3516 3956 3737 4303 4478 3692 3536 3671 3845 3882 3794 551.7953 *551.8059* 551.8059@0.8188034 1 2144 1 1665 1796 1 1 1792 1 2234 1892 1 1690 1849 1817 1642 1717 2049 1 2093 1931 1870 2019 1 2033 2160 2115 1 1873 1804 1 1 1980 1710 1685 1953 2014 1924 1 1861 1 1967 2040 1 1 1921 1709 1 1800 1 1 1922 1 1 1 1 1812 1 1827 1696 1633 1 1 1 2051 1 1 1 1 1 1 1 1821 1 1974 1744 1 1810 1 1905 1 1853 1 1 1 1861 1 1 1 1 551.8059 *551.8125* 551.8125@0.81633687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1529 1 1 1 1 1 1592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 551.8125 *552.2412* 552.2412@4.903985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1098 1407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 552.2412 *552.3822* 552.3822@14.656967 1 1 1 1 1 1 1 1 1 1 1 1 15316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1675 5286 1 1 1 7993 1 1 1 1 1 1 1 2460 1 1 1 1 1 1 8909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15254 1 1 552.3822 *552.3823* C36 H56 S2 9900 1 25749 27183 42724 40931 5543 1 8588 5099 1 14425 3940 1 1 29424 34257 35794 1 1 11664 29208 1 1 15423 1 1 9260 29178 7704 1 1 42045 1 8302 44358 9781 42560 3073 1 38690 14908 3327 14694 4499 1 1 11868 3940 10232 1 1 1 23168 26994 4507 5238 9786 1 29625 1 1 23307 5497 1 1 30509 1 1 9671 30563 10788 7006 9141 1 28123 28740 1 10905 21812 1 1 5884 1 2891 1212 7072 6110 33464 1 552.3823 *552.3826* 552.3826@14.707695 13154 8619 8704 1 1 1 1 1 1 11669 1 22672 9015 1 1 1 1 1 14777 1 18061 1 1 1 13011 1 1 13796 1 1 1 1 1 1 1 1 26037 1 1 1 1 14018 22851 21672 6786 8780 1 9792 18566 1 1 1 1 1 1 7017 1252 13460 1 1 1 1 1 18355 5726 1 1 1 8033 17154 1 9081 17122 14144 1 1 1 1 6248 1 1 1 16892 1 33700 3540 1 12013 1 1 552.3826 *552.4939* 552.4939@14.185461 1 1 1 1 1 1 1 1 1 1 1 1157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6628 1 1 1 1412 1 1 1 1 1 1067 1 1 1 1 1 1481 1 16393 1 1 1 1 1 2899 1 5699 4200 1 2600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 552.4939 *552.4939* 552.4939@13.872247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 552.4939 *552.7185* 552.7185@14.075894 1508 1417 1 1 1 1 1 1 1 1 1 1134 1 1 1 1 1233 1514 1 1 1 1 1 1678 1095 1 1 1 1 1 1 1044 1 1180 1 1 1 1 1 1 1347 1461 1 1 1 1 1 1 1 1 1 1 1 1090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 552.7185 *553.0536* 553.0536@14.067747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 553.0536 *553.1689* C34 H24 Cl N5 O 2300 2769 3037 2116 2879 2220 1 1520 2802 3050 2522 2510 3050 2345 2199 1651 1608 2047 2500 2309 2837 2466 2287 2886 1980 2494 2406 2215 1664 1962 2995 1902 2269 2693 2694 1781 2205 2112 2385 1785 1635 2388 1185 2015 1593 2399 2596 2272 1773 1549 1600 2061 2648 1906 2243 1559 1982 2161 1859 2156 2163 2055 2103 2017 2141 1 1904 1507 2200 2000 1988 2185 2315 1479 2131 1943 1471 2098 1 2044 2235 1479 2499 2537 1843 2343 1 1574 1898 2648 553.1689 *553.386* 553.386@14.617049 8615 1 1 3130 1 1 1 1 1563 1 1 5126 1 1 1 1 1 1 1 1 1 1609 1 1 1 1 1771 1 5320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9162 1590 2931 10006 1620 1 1 1 1 1 1145 1 1666 1 1 1 1 1 1 1 1 1 1 2581 1 1 5593 1 1 1 1 1 1 1 5256 1 1 1 1 1 1 1 1 1 553.386 *553.3867* 553.3867@14.693128 1 1 1 6897 1 1 1 14295 10344 1 1 1 12766 1 1 14367 1 1 10236 1 11973 11560 1 1 11597 1 1 1 5102 14311 1 1 1 1 1 1 1 1 1 1 1 13969 1 1 1 1 5397 8043 1 1 2689 1 1 1 1 13631 2627 9883 8367 1 1 9582 8532 1 1 1 1 1 1 1 1 11024 3152 9798 1 1 1 1 10004 10389 6749 1 10576 1 1 1 1 1 1 1 553.3867 *553.4942* 553.4942@14.144842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2577 1 2798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2416 1 3035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 553.4942 *553.6262* 553.6262@0.8434827 1 1 1 1 1937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 553.6262 *553.6373* 553.6373@0.8438308 2103 2003 2216 1845 1 1858 1838 2230 1965 2194 1902 1862 2456 2286 1982 2103 2210 1783 1 1633 1836 1802 2111 2263 1 1891 2208 1933 2000 2076 1884 1664 2399 2371 2108 1860 1 2019 1 2356 2223 1762 2040 1 1974 1 1954 1743 2218 1982 2145 2309 1734 1 1621 1809 1996 1988 1995 1897 1 1759 1 1601 1653 1892 1619 1943 1 1868 2015 1914 1 1690 1 1 1726 1713 1608 1922 1539 2236 2232 1 1778 2150 1656 1553 1873 1916 553.6373 *553.644* 553.644@0.8420084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 553.644 *553.791* C15 H Cl3 N2 O9 S3 3041 3132 2872 2985 3527 3792 3927 3706 2877 3062 2810 3104 2552 3264 1 1 3128 3443 2982 1 3182 3545 3123 2888 3484 3723 3578 3443 3341 3241 3429 3403 2954 3092 3339 4198 3174 3014 3276 2852 3161 3079 3449 2942 3377 3136 3455 3680 3511 3148 3466 3447 1 2919 3545 3220 3435 1 3473 3217 3164 3054 2876 1 1 2711 2982 2504 2598 3225 1102 2927 3482 3713 3017 2420 1 3148 3008 2817 3147 3117 3242 3321 2752 2893 1246 2439 3122 3042 553.791 *553.7931* 553.7931@0.8299207 1073 1 1 1 1 1 1 1 1 1 1250 1 1 1 1 1 1 1 1 1 1 1 1 1168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1278 1147 1 1 1 1051 1 1 1 1 1 1 1 1 1 1 1100 1 1 1 1 1 1 1188 1 1 1 1 2684 1 1 1 1259 1 1 1 1 1 1 1 1 1 1 1 2639 1 1 1230 553.7931 *553.7964* 553.7964@0.8186682 1 1195 1 1177 1 1285 1118 1275 1 1 1 1502 1338 1 1 1 1056 1 1 1 1248 1 1240 1 1340 1 1 1048 1 1 1104 1 1284 1 1 1 1 1262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1266 1 1 1 1 1211 1288 1 1 1 1320 1 1200 1 1 1157 1366 1 1 1462 1 1124 1 1 1 1 1 1 1 1 1 1 1 1 553.7964 *554.3475* C16 H42 N16 O6 3658 3852 30346 27882 8570 8155 6339 5671 5736 6015 5821 5862 9467 9896 3165 3230 4104 3849 6453 6141 3976 4269 3226 2829 14421 14498 3864 4125 4056 4200 17909 18356 3569 3203 4429 4361 8608 7892 5069 5067 5250 5574 8562 8107 16963 16096 6093 6231 3778 4383 1918 2273 5536 5975 2511 2077 2820 2726 2484 2193 5243 4433 4328 4792 6177 5778 2151 2340 18419 18465 14884 14891 2302 2445 2874 2241 14240 12896 5965 5974 3063 2265 2289 2184 4418 4256 2745 2769 2131 1853 554.3475 *554.3835* 554.3835@14.648634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 554.3835 *554.3846* 554.3846@14.69116 1587 1 1 1 1 1 2141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3049 1 1 1 1 2393 1 4310 1 1 1 1916 1 1 1 1 1 1 1 1592 1 1 3912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 554.3846 *554.8494* C25 H2 Cl N3 O S5 1200 1744 14939 14631 3161 3549 2475 2900 2237 2638 2824 2993 4641 5132 1743 1749 2142 1755 2895 3063 1891 1927 1818 1795 6988 7265 1877 2402 1952 1934 9041 9265 1514 1639 2205 2113 4161 3560 2445 1893 2041 2506 3807 3742 8973 8647 2583 2493 1851 1775 1142 1 2708 2743 1007 1048 1536 1315 1155 1252 2272 2109 2294 2191 3002 2708 1140 1 9053 9122 7076 6982 1201 1466 1457 1310 5775 5844 2884 2809 1436 1102 1316 1167 1948 1908 1347 1187 1 1 554.8494 *555.4337* C33 H57 N5 S 7988 6535 6398 6343 6941 8226 6235 5685 6916 6200 5513 7889 7430 6002 6479 7662 6158 6786 5907 5609 5202 6598 5168 6194 5760 6792 5859 7285 6902 5494 6162 7149 5691 7793 6194 5406 7396 7118 5070 6181 5533 6410 5325 5486 5386 5496 6087 4698 5859 4135 4462 5939 4754 5217 3454 4166 3710 1158 4061 3922 4862 4340 5554 4877 5399 5172 4871 4025 4172 5166 3510 3997 4014 4964 3668 3587 4635 4674 4986 4109 4225 4983 3730 5368 4693 3728 4586 4632 3383 3599 555.4337 *555.434* 555.434@12.616865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 555.434 *555.4345* C25 H53 N11 O3 2793 1933 2402 2304 2106 2342 2171 1565 2592 2670 1956 1853 2033 1596 2360 2181 2093 1610 2425 2083 2721 1994 2047 2060 2096 2472 2431 2133 1825 2212 2392 2279 2342 1892 1987 2278 2356 2296 2404 1261 1872 2333 1883 2002 1930 1967 1767 2054 1668 1523 1736 1876 1939 1350 1924 1512 1062 1672 1361 1592 1776 1 1547 1597 1395 1587 1714 1535 1363 1470 1439 1549 1 1539 1481 1643 1559 1917 1475 1596 1590 1487 1 1387 1200 1381 1 1655 1361 1 555.4345 *555.638* 555.638@0.8421484 4389 4175 4002 4261 4010 4181 3777 3856 3994 4178 3890 3706 4174 4633 4509 3846 4116 4008 3907 3817 3934 4174 4377 4601 4043 4021 4276 4043 3833 4109 4354 3849 4033 4213 4056 4338 4044 4120 4416 4061 3809 3936 3897 3965 3858 4144 3399 4096 4765 4536 3603 4196 4006 4668 3287 3640 4093 3893 4178 4270 3859 3922 3792 4050 3807 3930 3998 3933 3698 3723 4159 4041 3862 3979 3896 4063 4114 3978 3856 4059 4305 4060 4518 4221 3482 4046 3479 3765 4304 4108 555.638 *555.7787* 555.7787@0.875325 1 1757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 555.7787 *555.7858* C13 H Cl N2 O11 S5 1 1 1255 1360 1796 1453 1668 1669 1585 1400 1840 1641 1695 1223 1528 1667 1747 1178 1103 1 1503 1623 1698 1577 1319 1308 1489 1419 1254 1406 1928 1718 1344 1553 1778 1498 1407 1700 1349 1 1599 1207 1566 1213 1581 1428 1554 1436 1691 1 1577 1638 1 1357 1 1 1829 1569 1460 1566 1140 1346 1583 1 1454 1511 1188 1603 1299 1508 1306 1 1807 1752 1431 1497 1 1394 1912 1051 1117 1389 2306 1537 1173 1095 1179 1193 1466 1524 555.7858 *555.8493* C16 H9 Cl O10 S5 1 3174 2912 3088 3386 2641 3292 2891 2884 1 2921 3252 3241 2754 2894 2716 3110 2894 3365 3416 1 2792 2536 2893 2637 2810 2376 1 3149 2776 2735 2518 1 2412 2839 2277 2408 2647 3398 2705 2803 1 1 2730 2659 3233 2549 3339 2620 1 2767 3036 2909 2642 2837 3331 2531 2994 2522 3055 2794 2919 2534 2903 3247 3114 2855 2254 2595 2659 2450 1 2670 2952 2890 2653 2460 2311 1 2444 2831 2611 1 2321 2513 2964 2526 1 2468 3154 555.8493 *556.4074* C26 H52 N8 O5 64873 67097 65221 65247 64971 67252 64171 68379 66423 64290 66672 63356 68203 69526 66469 67095 66280 56844 64282 67696 68307 67887 64273 66983 64639 63217 67222 65572 63969 67121 66555 63034 69375 68365 63289 67980 64513 61454 64291 67078 62956 65061 69257 63329 76491 65938 60155 58213 59150 59411 58568 57635 58591 63187 2349 59481 51027 56046 58532 56005 57233 58346 60919 58378 58583 56433 55206 55181 54637 56445 56811 59468 57461 60550 55278 57705 57790 56876 58528 58973 58087 58227 56871 56514 59868 57609 55216 60385 55884 53599 556.4074 *556.4076* 556.4076@14.545741 1 1 1 1 2170 1 1 1 1 1 1 1 1 1 1 1 1 9033 1 1 1 2011 1 1 1 4440 1 1 1 1 1 1 1 1 6596 1 1 1 1 1 1 1 1947 1 1 1 1 1 1 1 1 1 1 1 57041 1 3987 1 1 1 1 1 1 1 1 1 1 5570 1 1 1 1 1 1 2667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 556.4076 *556.4077* 556.4077@14.622482 1 1 1 1 1 1 1 1 1 5112 1 1 1 1 1 4148 1 1 1 1 1 1 1 3030 1 1 1 1 1 1 1 1787 1794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1280 3080 1 1 1 1 1 1642 1 1 1 2197 1 1 1 1 1 4237 1 1 1 1 1 1 1 1 1 1 1 1 1224 1 1 1 1 556.4077 *556.9069* 556.9069@14.588956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1107 1 1 1187 1129 1 1166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1237 1 1 1 1 1 1 1 1 1 1 1 1 556.9069 *556.9081* 556.9081@14.450057 1 1 1 1 36669 37769 37707 1 35685 1 1 34608 37214 1 1 1 1 1 1 1 33010 4113 1 1 1 1 1 1 1 1 1 1 37897 1 1 34751 1 1 36010 3119 1 1 1 1 1 1 1 1 33200 1 1 1 1 1 1 1 3673 1 1 1 1 1 1 33942 32303 1 1 1 1 1 1 1 1 1 1 28285 2180 1 1 1 1 1 1 1 1 1 1 1 1 24195 556.9081 *556.9085* C14 H8 Cl N3 O15 S2 35819 36237 35518 37316 1 1 1 38536 1 35737 37528 1 1 34746 37467 36687 34317 35553 37165 35946 6857 35050 39782 35762 34755 36052 36731 35389 36143 39272 37020 35335 1 37148 35862 1 35522 34826 1182 35033 36073 36805 37173 36772 41199 36391 33672 34512 1 31764 32910 33560 33093 36247 33227 30661 26734 32891 30751 32467 32223 31531 31410 1 1 30119 31953 29900 33475 31511 32888 30345 32225 32279 33828 6082 32277 34488 32598 32064 33780 34380 33876 34159 35249 31138 31395 32650 32199 6825 556.9085 *557.4108* 557.4108@14.505176 1 1 1 1 1209 1 1 1 1 1 1 1 1 1 1 1 1 1 2642 1 1 1 1 1 1 1 1 1 1 1 3212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1170 1 1 1 1 1 1 1 1 1 1112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.4108 *557.6351* 557.6351@0.8421598 5073 4791 4381 4553 4838 4693 4386 4290 4672 4260 4321 4092 4877 4395 4799 4759 4504 4486 4215 4434 4650 4432 4709 4549 4855 4310 4811 4533 4172 4483 4088 4391 4406 4309 4515 4752 4603 4498 4586 4192 4268 4453 4757 4512 4342 4196 4226 4217 5307 4968 4835 4344 4643 4798 3880 4508 4489 4822 4654 4508 4430 4326 4043 4362 4262 3827 4169 4523 4431 4102 4313 4369 4292 4467 4541 4438 4258 4010 4262 4481 4565 4604 4773 4578 4282 4523 4114 4176 4184 4352 557.6351 *557.7207* 557.7207@0.831058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.7207 *557.7333* 557.7333@0.83599496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.7333 *557.7434* 557.7434@0.83699214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.7434 *557.8605* 557.8605@0.81348884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.8605 *557.8776* 557.8776@0.8089712 1592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.8776 *557.9114* 557.9114@14.427986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1544 557.9114 *558.1412* 558.1412@2.9555213 1 1 1 1 1 1 1 1 1 1238 1 1 1 1 1 1 1051 1 1 1 1 1 1 1 1 1 1 1 1 1023 1 1 1 1 1 1 1 1 1 1184 1906 2414 1600 1 1 1 1 1 1 1 1011 1227 1 1 1 1 1 1 1 1 1 1040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3342 1 1 1 1 1 1 1565 1079 1244 1 1 558.1412 *559.3874* 559.3874@14.143664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 559.3874 *559.6317* 559.6317@0.84233737 2981 3081 2886 3143 3271 3483 2699 2803 3113 2962 3227 2992 3248 3088 3070 3242 3029 3027 2643 2608 2669 3262 3109 3300 3071 3048 3382 3140 2820 3298 2652 2952 3213 3125 2973 2951 2838 2763 3309 2684 2684 3003 3010 3082 3121 3057 3148 2820 3424 3522 2996 3258 3384 3057 2629 2576 3313 2923 2743 3056 2666 2916 2822 2851 2911 3020 2979 2966 2680 2882 3021 2876 3082 2983 3032 2830 3225 2925 2816 2656 2769 3031 3400 3366 3128 3283 2880 2798 2525 2800 559.6317 *559.8297* 559.8297@0.85700476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1198 1 1 1 1 1 1 1 1 1075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 559.8297 *559.8402* C21 H2 Cl2 N2 O7 S3 2761 3086 2180 1889 1 2092 2064 3035 2665 2985 2918 1821 1971 2775 2929 1 2828 3052 1994 1 1821 2705 1767 1 4281 1 2888 2470 2496 2676 1759 2640 2716 1972 2601 1 1722 3011 2774 1962 1909 1995 1 2947 2136 2112 2676 1936 1 2021 1725 1 2915 1776 3580 2742 2703 2370 2388 2578 1620 1947 2062 1 1920 2808 1901 1920 2826 2209 2314 2699 2677 2788 2641 2449 2667 2353 2624 1 2336 2042 2807 1408 1797 1 2449 1798 1625 1712 559.8402 *560.372* Vitamin D3 glucosiduronate 1751 1661 2165 1684 1696 2076 1805 1885 1464 1564 1613 1713 1969 1871 1706 1595 1968 1745 1861 2051 1641 1656 1709 1675 1460 1722 2123 1478 1389 1568 1424 1798 1685 1763 1606 1269 1920 1914 1243 1482 1716 1368 1542 1529 1605 1250 1322 1399 1335 1 1257 1097 1 1057 1 1117 1 1 1311 1155 1 1143 1 1399 1 1 1190 1 1 1 1 1189 1040 1227 1092 1304 1054 1432 1 1 1404 1 1034 1 1 1 1 1 1 1 560.372 *560.8722* 560.8722@11.101682 1 1 1177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560.8722 *561.1859* 561.1859@3.2377973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2417 1374 1 1 1 1 1 1 1 1 1624 1 1 1 1595 1 1 1486 1523 1 1 1 1 1 1441 1 1 1 1 1 1 1876 1 1 1 1 1858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1752 1 1 1 1 1 1 561.1859 *561.3345* 561.3345@5.6935906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1396 1688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 561.3345 *561.6099* 561.6099@0.8470066 1 1 1780 1 2128 1 1 1 1 1615 1829 1 1 1 1 1 1 1 1 1 1 1 1 1 1849 1 1 1498 1 1 1883 1775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1446 1 1 1 1749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 561.6099 *561.6146* 561.6146@0.84486926 1771 1709 1 1 1 1904 1407 1701 1 1 1 1829 1929 1900 2061 1719 1852 1421 1720 1593 1887 1873 1 1886 1 1808 1 1 1679 1859 1 1 1 1876 1702 1720 1590 1920 1905 1803 1761 1704 1677 1645 1733 1557 1811 1687 1958 1658 1 1718 1961 1878 1503 1823 1492 1 1788 1 1 1552 1620 1 1871 1706 1675 1 1713 1494 1452 1501 1567 1752 1631 1 1576 1467 1669 1 1702 1714 1679 1585 1 1 1697 1765 1622 1615 561.6146 *561.736* 561.736@0.8367633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18340 1 1 1 22259 1 1 1 1 1 1 561.736 *561.8286* 561.8286@0.8176018 1 1 1 1 1 1 1 1 1 1 1 1393 1 1 1 1 1 2034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1 1 1 1 1 1 1 1 1 1 1 1 1736 1 1 1 1 1 1 1 1507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 561.8286 *561.8339* 561.8339@0.81541586 1962 1 1 1 1 1350 1 1 1 1540 1 1 1494 1234 1203 1 1 1 1 1908 1 1 1472 1 1 1682 1 1 1674 1 1 1 1 1 1 1328 1 1561 1 1170 1559 1 1 1476 1 1 1 1 1311 1 1431 1333 1 1 1 1 1 1 2016 1 1 2154 1 1 1125 1603 1 1 1222 1 1 1 1906 1522 1 1545 1 1 1 1442 1 1 1 1 1116 1 1 1 1501 1 561.8339 *561.8496* 561.8496@0.81100374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 561.8496 *562.1492* 562.1492@2.996812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1190 1263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1190 1 1 1 1 1 1 1 1 1 1 1043 1385 1 1 3226 2782 1 1 1 1 1 1 1232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 562.1492 *562.1599* 562.1599@4.8216248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 562.1599 *563.2773* 563.2773@4.092493 1 1 1 1 1 1 1 1 1 1 1 1 1737 1778 1 1 10445 11159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1813 1691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 563.2773 *563.3511* C22 H41 N15 O3 26440 28063 83340 79658 47483 48032 40738 41069 40563 40313 40291 41110 60550 59585 26586 27388 102579 101503 3386 38670 26766 26800 27158 25575 49960 50414 103582 105180 38424 38066 64099 65402 22118 22209 31979 31910 41184 39768 32524 34672 35986 35753 52976 52443 62675 60643 32717 34016 26393 26094 16684 18472 34732 34144 19279 19642 23236 22389 18047 18982 42657 41910 28291 27203 38572 37556 14424 13881 2525 59849 56209 2336 22838 22585 19467 20354 56260 55062 72194 72347 21617 21809 18841 18083 28118 29541 20812 20039 18252 17913 563.3511 *563.3516* 563.3516@5.074767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1187 35822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56510 1 1 54109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 563.3516 *563.6626* 563.6626@0.8407097 1 3368 2926 3156 2577 1 2558 2594 3147 1 2780 2862 1 1 1 1 2467 2538 1 2877 1 2506 1 1 2674 2273 2565 2671 2603 3005 1 1 1 2935 1 1 1 2849 4261 2671 2768 2785 1 3045 2715 1 1 1 1 2851 1 2792 3011 1 2165 2746 1 1 2494 1 2573 2992 2741 2782 2201 2396 1 1 3033 2438 1 1 2636 1 2712 2696 2125 2602 2358 2529 1 1 1 1 2736 2891 1 1 1 2741 563.6626 *563.8285* 563.8285@0.81519806 1084 1 1 1162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1139 1 1 1 1 1 1 1047 1 1 1 1 1 1 1 1 1 1 1 1 1 1054 1 1 1125 1 1 1003 1 1 1 1 1 1 1 1 1 1 1335 1 1 1 1 1118 1 1 1 1 1 1300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 563.8285 *564.3099* 564.3099@6.361382 1 1 1096 1 1 1 1 1 1 1 1241 1012 1 1 1 1 1 1 1515 1461 1 1 1 1 3142 2152 1 1 1 1 7106 6998 1 1 1 1 1 1 1161 1131 1 1 1954 1646 2572 2682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4088 3793 1 1 1102 1 1 1 7471 7818 2115 2343 1 1 1 1 2283 2235 1 1 1 1 1 1 1 1 1 1 1 1 564.3099 *564.4041* 564.4041@13.360745 1 1559 1 1 1 1 1 1014 1 1119 1 1 1 1 1 1 1 1 1071 1 1 1256 1 1 1 1312 1 1 1 1400 1 1 1 1153 1 1 1 1 1 1 1 1 1567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1338 1 1 1 1 1 1360 1122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 564.4041 *565.4217* 565.4217@5.2294054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1301 1417 1 1 1 1 1 1 1 1 1 1 565.4217 *565.6649* 565.6649@0.84034145 12378 5965 6115 5973 6392 6112 5360 5724 5641 5802 5526 6361 11978 1 6566 12146 6244 6053 5384 5523 5867 5783 6027 5798 5538 5538 6203 5700 5849 5694 6229 5734 6226 6178 6396 6122 6274 6532 5803 5664 5568 5383 6133 5337 5708 5706 11731 5614 6661 6512 6141 5774 6198 5957 5549 5540 5450 6055 5610 5554 5611 5540 5433 5797 5719 5655 11907 5950 5958 11600 5680 5844 5508 5240 5744 5650 5828 5767 5836 5920 5550 5765 6111 6146 5742 5735 5626 5775 5603 5609 565.6649 *565.8755* C23 H4 Cl2 N4 O4 S3 1 1 2266 1866 1 1 1 2082 2034 1 1 2110 1 1 1 2361 1 2166 2327 2024 2158 2139 2234 1 1 1 1 2127 2351 1 1 1 1 1 1 1 1 1890 2047 1 1 2136 1 2058 1 1 1 2283 1755 1 1 1 1 1885 2043 1 2441 1 2060 2054 2071 2306 1 2338 1 2169 1 1 1 2083 2020 1 2213 1 1 1 1987 1 1935 1665 1 2065 1999 1909 1965 1 1 2159 2141 1 565.8755 *567.3806* C18 H41 N21 O 6455 5678 5722 6442 6980 1 6891 7006 1 7273 5406 7052 7261 1 7554 7108 7294 6677 7351 1 7307 1 6960 1 1 1 7364 4539 6720 6169 1 7211 7346 5952 7279 6964 7293 1 1 1 7641 1 1 7909 1 7011 7475 1 1 6357 7546 1 1 1 1 1 1161 1 6580 6552 1 1 1 6844 7359 1 1 1 1 1 1 1 3216 1 6816 1 1 6364 1 1 1 3243 1 4981 6766 1 6722 1 1 6298 567.3806 *567.381* C18 H41 N21 O + 11.7478285 1 1 1 1 1 7147 1 1 7003 1 1 1 1 7271 1 1 1 1 1 7715 1 6958 1 8175 6972 6013 1 3288 1 1 7359 1 1 1 1 1 1 7774 7334 7573 1 7624 7225 1 8034 1 1 2400 7062 1 1 7062 7030 6586 5813 6087 4865 7185 1 1 7294 6738 6418 1 1 6014 6163 6719 6591 6119 6931 7223 3210 6274 1 6153 5710 1 6501 6360 6356 3211 6434 1 1 5219 1 6285 5988 1 567.381 *567.3972* 567.3972@14.052475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1469 1 1 1 1055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 567.3972 *567.4064* 567.4064@14.050743 1 1455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 567.4064 *567.4637* 567.4637@13.996657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 567.4637 *567.6619* 567.6619@0.840511 1 5825 6299 5821 6060 6416 5657 6071 5694 6407 5455 5922 1 6293 6265 1 6100 5559 5744 5275 5775 6165 5840 6058 5528 5653 5873 5791 5708 5729 5793 5685 5895 5861 6000 6299 5957 5965 6814 5871 5530 1 6020 5832 5864 5698 1 5885 6361 6224 5774 5962 5951 5867 5627 5441 5476 5956 5919 5901 5442 5776 5345 5714 5632 5248 1 5236 5613 1 5697 5483 9423 5909 5943 5677 5699 5581 5621 5505 5707 5584 6267 6249 5994 5787 5471 5523 5528 5458 567.6619 *567.8817* 567.8817@11.750722 1 1 1 1 1 1 3481 1 1 1 1 1 1 3492 1 3800 3696 2556 1 1 1 1 1 1 1 1 1 3212 1 1 1 3719 1 3907 3912 3826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3752 3633 2838 1 1 2138 1 1 1 1 3296 1 1 1 1 1 1574 3378 1 2412 3452 3045 1 3655 1 1 3262 1 1 3385 1 1 1 3265 1 1 1 1 1 567.8817 *567.8823* C16 H5 Cl O19 S 2938 3300 3157 3792 3295 3427 1 3316 3596 3334 3474 3768 3715 1 3588 1 1 1106 3390 3719 3338 3429 3660 3292 3721 3914 3370 1 3610 3849 3665 1 4024 1 1 1 3755 3466 3434 3529 3474 3383 3147 3905 3423 3964 3968 3494 3991 3665 3387 1 1 1 3267 3688 1443 3853 3563 2866 3588 1 3336 3242 2932 3105 3449 1590 1 3414 1109 1 1 3342 1 3489 3604 1 3329 3380 1 3484 3388 3338 1 3604 3168 3028 3310 2950 567.8823 *568.3054* 568.3054@5.0488024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1392 1479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 568.3054 *568.3594* 568.3594@14.707832 1170 1 1 2941 3274 1 1 3289 1 1597 1 4017 2624 2545 3321 3708 1 1 1 3291 1 2426 2642 1789 2791 5075 1 3472 1735 1 1 3295 2304 3345 3527 2959 1 1 1786 1 1382 3038 4891 1784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 568.3594 *568.3614* 568.3614@14.65489 2172 1 1 1 1436 1 1 1 1 3300 1 1 1 2204 1411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 568.3614 *569.6595* 569.6595@0.8407543 4122 3975 3991 4017 3730 4318 1 4329 3805 3817 3657 3793 3446 4275 4115 4036 4210 3861 3911 3650 4120 6340 4050 4219 3866 3718 3778 3981 3654 3868 3656 3844 6694 4244 4077 3879 3933 3708 4263 3609 3611 3992 3825 3789 3668 3993 3676 3773 4118 3952 3827 3852 4428 3806 3628 3603 3732 3606 4136 3743 3595 3651 3733 3620 3735 3637 3853 3382 3697 3628 4034 3901 1 3671 3539 3669 3246 3736 3552 3975 3813 3659 3814 3969 3919 3820 3635 3244 3871 3665 569.6595 *569.8581* 569.8581@0.8120058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 569.8581 *569.8657* C18 H9 Cl3 O11 S2 1752 1738 1 1 2146 1 1723 1750 1569 1 1692 1749 1720 1748 1773 1877 1 1752 1937 1679 1 1785 1659 1664 1884 1877 1497 1 2025 1532 1633 1 1537 1548 1 1 1553 1585 1831 1835 1 1578 1 1 1543 1552 1842 1688 1 1765 1600 1475 1661 1 1640 1870 1898 1588 1 1 1652 1705 1 1826 1624 1724 1553 1364 1552 1882 1555 1396 1629 1697 1584 1 1 1 1484 1269 1733 1665 1590 1 1 1736 1603 1838 2069 1 569.8657 *570.4214* 570.4214@12.885155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1073 1 1 1 1 1 1 1 1 1 1 2200 1 1 1678 1 1 1 1 1 1 1722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1507 1 1 1 1 1 1 1 570.4214 *570.4221* 570.4221@12.714105 1 1 1 1 1 1 1 1 1 7565 1 3519 1 31086 1 1 1 1 1 1 1 1 1 35324 8789 1 1 1 1 8691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9321 13440 1 1 12648 1 1 1 1 1 1 1650 1 1 1 1 1 1 1 9153 1 1 1 1 11454 1 1 1 1 7311 1 1 9312 1 1 1 1 1 1 1 1 1 1 1 1 570.4221 *570.4222* C27 H54 N8 O5 29680 33736 35448 32679 28904 33083 27040 33791 34684 19292 29712 24254 1 1 35081 1 23708 28628 30477 34784 13691 35802 29927 1 25825 32611 29735 10291 11778 1 35552 1 34276 18121 10840 33484 32159 1 26905 31547 30078 31247 26339 34773 27170 22981 1 24507 23574 12091 29768 21021 28465 29077 26298 24148 5353 14077 1 26867 22418 24394 26471 20675 13190 26090 28086 29293 1 1 27331 1 21719 26870 1 26804 23204 1 24928 28186 19851 27194 17913 11478 25347 26240 26244 22305 25982 20318 570.4222 *570.4222* 570.4222@12.791468 1 1 1 1 1 1 7832 1 1 1 1 1 19121 1 1 36967 1 1 1 1 1 1 1 1 1 1 1 20435 14509 1 1 1 1 15902 21605 1 1 19800 1 1 1 1 1 1 1 1 1 1 1 1631 1 1 1 1 1 1 5603 1 12291 1 1 1 1 1 1 1 1 1 12248 10036 1 12927 1 1 10852 1 1 18987 1 1 1 1 6085 9440 1 1 1 1 1 1 570.4222 *570.4225* 570.4225@12.703729 1 1 1 1 1 1 1 1 1 1 1 1 9697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3463 7072 9325 1 1 1 1 1 1 1 1 1 7954 1 1 8032 1 1 2670 1 1 1 1 1 1 1 3320 1 1 1 1 1 1 1 570.4225 *570.923* 570.923@12.804504 1 1 1 1 1 1 1 1 1 1 3737 1 1 1 1 1 1 4886 1 1 1 1 1 1 1 1 1 1 1 1145 1 1 1 1 1 1 1 1 1 8037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5652 1 1 1 1 1 1 1 1 1 1 1 570.923 *570.9239* C25 H5 N3 O8 S3 14893 1 19019 1 3458 16849 17614 18733 19726 1 7496 1 1 1 19344 19118 16670 5746 2706 1 13591 16038 21170 14561 10300 17132 18820 11329 10504 16176 18756 16590 18032 17984 1 1 18171 17361 16905 2697 1 1 1 16837 1 12677 1 1 1 1 14824 15485 1 4571 1 14425 5459 13677 8051 1 8321 1 1 1 1 1 14720 1 7225 1 1 1 13427 13701 1 14150 1 13830 1171 1 1 4841 5470 13034 13947 14277 1 1 1 1 570.9239 *570.9243* C14 H12 Cl3 N9 O4 S3 1289 19427 1 18875 15599 1 1 1 1 19068 6194 17996 16419 17138 1 1 1 7192 16240 16953 3709 1 1 4140 7646 1 1 5612 6529 2209 1 1 1 1 18027 18120 1 1 1 6810 16236 18236 16790 1682 11315 11407 16854 13406 8223 14919 1 1 15715 6345 12157 1 6271 1 6555 14276 2359 13042 12747 12953 14240 13431 1 14092 6673 14075 14475 13403 1 1 13279 1 13948 1 6520 14027 14155 8077 8427 1 1 1 13676 13817 13421 12832 570.9243 *571.4252* 571.4252@12.752917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1474 1 1 1 1 1 1 4962 1 1 1 3859 1 1 1570 1 1 1 1782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2021 1 1 1 1 1 1 1 1 1 1 1 571.4252 *571.4267* 571.4267@12.77704 1 1 1 1 1 1 1050 1 1 7347 1 1 5547 1 1 1 7257 1 1 1 6398 1 1605 1 1 1 3495 3766 6226 1107 1 1 1 1 1 1 1 2950 1954 1 1360 1 5782 1 1894 8675 7185 1 2762 1 1 4567 1 1 1091 1998 3506 1 1 1 1 1 1217 4181 1 1993 1 1 5672 1 1 5437 1 1 6225 1 1 1 1071 1 1356 1 1 6023 1 1 1182 2242 1 1 571.4267 *571.4515* 571.4515@14.840543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 571.4515 *571.4549* 571.4549@14.87709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1134 1 1 1 1 1 1 571.4549 *571.4563* 571.4563@14.846723 1 1 1 1 1 1 1 1 1 1 1 1 1 4217 1 1 1 1 1 1 1 1 1 1 1 1 1 7935 1 1 1 1 1 1 1 1 1 1 1 6966 1 1 1812 1 1 1 1 7852 2262 1 1 1 1 10805 1 1 3036 6824 1 2044 1 1 1 1 4795 1 1 5310 1597 1 1 1 1 1 1 1 1 1261 1 1 1 1 1 1867 4813 1 1 1 1 1 571.4563 *571.6504* 571.6504@0.84332967 2308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1956 1 1 1 1 1 1810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1968 1 1 1 1 1 1 2095 1 1 1 1 1 1 1 1 1 1 1 571.6504 *571.6521* 571.6521@0.841506 1 2199 2274 2098 2108 2222 2120 1 2426 2179 1 2226 2263 2011 1 1 2202 1950 1 2180 2172 1 1 1 1 1 2189 2117 2056 2257 2026 2121 1 2352 2194 2101 2357 2628 2194 2105 2124 1 2309 1675 2117 2247 2460 1 2361 2468 2064 2239 2471 2293 2050 1933 2301 2102 2247 2311 2154 2089 1802 1 1859 2134 2038 2227 1974 2046 1994 1 1837 2058 1 2096 2294 1803 1 2242 2075 1 2401 1 2139 2265 2146 2120 1987 1650 571.6521 *571.76* 571.76@0.8290061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 571.76 *572.352* C23 H40 N16 O2 11054 1 18903 18175 6623 18540 7950 7383 1 13992 7978 12738 11338 6201 6382 8674 1 8630 18074 7088 18644 7140 14155 6036 18738 1 8497 12357 7840 5383 1 10033 1 10002 18433 18043 7563 6178 7524 7409 6056 1 8774 6010 12762 10347 7705 11260 6444 9413 18580 4924 1 9336 9030 19417 4707 9438 6023 5971 5560 19148 18804 18308 5508 7501 18913 5119 12654 1 16487 1 12508 8993 1 4903 18964 19149 18885 9554 8199 8272 8973 10723 4724 5997 5962 10636 4938 8878 572.352 *572.3527* C23 H40 N16 O2 + 12.279759 7561 19676 1 1 1 1 6695 6847 19779 1 6444 6208 8259 8323 1 5709 17976 9639 1 1 1 10930 1 7917 1 12475 9979 6922 6264 1 17707 8469 14742 8711 1 1 10806 8842 10838 11366 8915 18707 9533 1 6513 9401 7734 8543 8851 5954 1 9134 17996 8906 6166 1 10228 5141 1 8652 8743 1 1 1 1 11826 1 8712 5756 18437 1 17726 5750 10197 18743 2143 1 1 1 8714 7045 10101 9576 8202 1 1 8936 7956 1 5968 572.3527 *572.3563* 572.3563@12.34445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 572.3563 *572.4574* 572.4574@14.907763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 572.4574 *572.6837* 572.6837@0.84001714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 572.6837 *572.8539* C18 H4 Cl N O13 S3 6787 5799 11020 10135 5505 10244 1 6570 7294 10472 1 5180 5835 4348 8404 10781 10586 4873 1 1 10462 10430 5301 1 9950 6695 5481 11024 5324 10751 1 1 1 5941 9870 3391 1 6038 5715 5427 1 1 10421 1 1 1 1 4758 6312 11525 5246 5830 11354 5766 1 1 3216 4901 5190 1 10626 1 10084 10835 10772 4178 1 1 4343 1 11220 1 1 5919 10081 6771 1 1 9692 1 9764 1 4945 5479 10945 6986 10134 4541 11076 4562 572.8539 *572.8542* C19 H2 Cl3 N O14 3811 5537 1 1 5512 1 4235 3899 1 1 10675 5940 5152 1 1 1 1 1 9948 10361 1 1 5414 5624 1 1 5694 1 6266 1 10072 5785 10327 5297 1 8160 10886 4247 4896 1 10509 5358 1 10392 11708 5769 6033 6528 4375 1 1 3594 1 1 5212 10720 4831 5044 5699 10646 1 11496 1 1 1 7321 5360 10162 1 11084 1 11977 9539 5169 1 1 10517 10160 1 7635 1 9854 6693 5945 1 1 1 5153 1 1 572.8542 *572.8547* 572.8547@12.25411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3431 1 1 1 1 1 1 1 1 1 1 4332 1 1 1 1 1 4946 1 1 1 1 1 1 1 1 1 5060 1 1 1 4201 4458 1 1 1 1 1 1 5295 1 1 2817 1 1 1 1 1 1 1 1 1 5693 1 1 1 1 1 1 1 1 4035 1 1 1 3065 1 1 1 1 1 1 1 1 1 1 572.8547 *573.3555* 573.3555@12.279997 1 1 1 1 3964 1 3965 3740 1 3762 1 1 1 3712 4220 1 1 1 1 1 1 1 1460 3600 1 1 1 1 3752 4082 1 1 2168 1 1 1 1 1 1 1 1 1 1 4144 1 1 3979 1 3845 4574 1 1 1 1 4118 1 1 4059 4250 3922 1 1 1 1 1 1 1 3878 1 1 1596 1 1 1 1 4190 1 1 1 1 1 1 1 1 3933 4115 4029 1 3843 3814 573.3555 *573.3587* 573.3587@12.275626 1 1 1 1 1 1 1 1 1 1 4037 1 1 1 1 3874 1 1 1 3968 1 1 2674 1 1 1 1 1 1 1 1 1 1513 1 1 1 1 4222 1 1 4129 1 1 1 1 1 1 1 1 1 1 3846 1549 1 1 1 1 1 1 1 4118 1 1 1 3855 1 1 1 1 1 1 1575 1 1 1 1 1 1 1 1 4155 1 1 1 1 1 1 1 1 1 573.3587 *573.4724* 573.4724@13.835017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3940 1 1 1 1 1 1 1 1 4957 1 1 1 1 1 1 1 15826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 573.4724 *573.4728* 573.4728@14.220028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3734 1 1 1 1 1 1 1 9197 1 1 1 1 1 1 1 1 1 1942 5630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14140 1 1 1 1 12094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 573.4728 *573.4729* 573.4729@14.155927 1 1 1 40729 1 1 1 1 1 1 1 1 1 1 1 27253 1 1 1 1 1 1 1 1 11266 1 1 1 1 1 1 31711 20686 1 1 28245 27151 31014 25855 27256 1 1 32719 17576 1 1 1 1 1 1 1 1 1 1 1 27868 14452 35444 1 1 1 1 1 22112 1 1 37758 1 33032 1 1 1 1 12718 19791 32341 1 1 1 30678 1 1 1 1 1 27370 11551 1 31585 1 573.4729 *573.473* 573.473@13.992224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 54047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 573.473 *573.4731* 573.4731@13.956163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38698 1 1 1 1 1 1 1 25021 1 1 1 1 1 1 1 1 1 1 24904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 573.4731 *573.6909* 573.6909@0.83885145 13108 4300 3584 4187 18714 1 24204 4049 22381 4859 3356 4110 23237 4059 12100 17899 1 18360 17714 22197 11746 1 4167 4300 4790 1 17446 12408 18599 12197 22484 4265 3872 4681 23229 23869 24097 27326 24512 4374 11288 21543 3926 3852 4276 3805 3974 19542 4200 4006 23323 18964 3921 3889 3383 11054 4020 23184 3707 24299 4125 3816 3566 4452 23482 3474 3494 4055 22208 22186 3893 3671 3836 3407 4586 3656 4591 3623 3616 4022 22066 23152 24246 22698 1 12372 3119 3428 18095 3875 573.6909 *573.8588* 573.8588@0.8113521 1 1 1 1 1169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 573.8588 *574.4755* 574.4755@14.2887745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1520 1 1 1 1 574.4755 *574.476* 574.476@14.120097 1 1 1 3233 1 1 1 1 1 1 1 1 1 1 1 3567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4637 4954 1 11715 1 1 1 1 1 1 1 2615 2756 1 1 1 1 1 1 1 1 1 1 1 1 2763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1742 1 1 1 1 574.476 *574.4764* 574.4764@13.9934635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7847 7321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 574.4764 *575.3991* 575.3991@12.886259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.3991 *575.3993* 575.3993@11.828293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.3993 *575.4008* 575.4008@11.6533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.4008 *575.4016* 575.4016@11.586444 1 1 1 1 1 1 1 1 1 1 8185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2669 1 3223 1 4154 1 1 2884 1 1 2243 1 1499 1 1 1 1 1 1416 1 3333 1 1 1 1 1 2763 2886 1 1 1 1 2088 1 1555 1 1 1 1 1 1 1 1 2535 1 2664 1 1 1 1 1 1 1 2376 2510 1 1 1935 2027 1 575.4016 *575.4026* 575.4026@13.841325 1 1 3185 1467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.4026 *575.4034* C30 H57 N O9 126363 136623 128741 129614 128207 123245 124544 103442 124138 123812 125195 124479 125221 124762 126588 125427 122577 118775 125720 127502 120270 121371 123703 123337 120309 124951 119263 119817 121621 119846 122396 119489 120297 122584 119020 117663 120229 117886 115506 117054 120155 116766 118615 118026 118241 99462 87435 78971 78494 78292 78966 78563 75667 78444 74295 77568 74493 75375 77328 76143 73370 72669 73345 75202 77927 72063 72962 73464 74358 74992 70787 74949 74819 73399 74820 73075 71687 78247 73558 71694 71979 73994 73159 73600 73383 74530 71375 70321 75378 72069 575.4034 *575.4047* 575.4047@11.527651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.4047 *575.4354* 575.4354@14.164044 1 1 1 1 1978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.4354 *575.453* 575.453@14.025894 1 2230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.453 *575.4558* 575.4558@13.995461 1 2669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1433 1 1 1 1 1 1 1 1 1 1 1490 1 1642 1 1 1 1 1 1299 1 1 1 1 1 1742 1 1 1160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1684 1 1271 1 1 1 1 1 1 1 1 1 1 1079 1731 1 1 1 1 1 1 1285 1286 1 1047 575.4558 *575.4582* 575.4582@14.140722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1590 1 1 1 1 1 1 1 575.4582 *575.4711* 575.4711@13.881189 1 1 1 1083 1 1 1 1 1 1 1 1 1 1 1 1225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.4711 *575.4727* 575.4727@14.04101 1 1 1 2592 1 1 1 1 1 1 1 1 1 1 1 1079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1532 1 1 1 1 1 1 1 1445 1 1008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.4727 *575.6931* 575.6931@0.8385655 1 19202 18947 19094 1 19283 1 14081 1 19537 18842 13162 1 18471 1 1 19331 1 1 1 1 14424 19441 18839 18981 13169 1 1 1 1 1 13750 14789 20336 1 1 1 1 1 18833 1 1 18091 18795 1 20890 19623 1 21001 19296 1 1 21024 15026 13095 1 18906 1 19829 1 18292 18132 13969 19270 1 18136 17824 13047 1 1 13212 18474 13345 18799 18131 17278 6262 18004 1 17345 1 1 1 1 17803 1 16162 13131 1 17666 575.6931 *576.1776* 576.1776@4.850896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2616 2808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 576.1776 *576.3586* C24 H48 N8 O8 2635 2618 22929 25213 6497 6122 4319 4739 4671 3776 4898 4685 7383 6750 2214 2432 3190 2938 4544 4572 3088 3394 2610 2484 11325 11847 3225 2904 2934 2787 14003 13784 2346 2403 3228 3228 6449 6223 3363 3437 3593 4173 6235 6776 13372 12773 5162 3978 2535 2804 1418 1511 4589 4406 1994 1627 2147 1910 1680 2283 3541 3248 3489 3564 5054 4490 1616 1546 15030 13722 12117 12232 2169 1803 2104 2094 10614 10496 4966 4303 2154 1739 1943 1675 2793 3248 1809 1978 1751 1826 576.3586 *576.4066* 576.4066@11.476663 1 1 1 1452 1 1 1 1 1 1 1 1 1 1 1 1 1 1554 1 1 1 1 1148 1 1 1 1 1 1 1 1 1222 1 1 1 1 1191 1 1 1 1 1 1 1 1658 1 1 1 2559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1876 1 1 1 1 1 1 1 1753 1 1 1 1 1 1 1 1 1 1 1 1 576.4066 *576.8619* C26 H2 Cl3 N O7 S 1121 1 12843 12297 3194 2692 2122 2121 2015 2000 2170 2332 3236 2857 1183 1 1447 1400 2569 2228 1624 1686 1085 1030 5732 5565 1355 1853 1274 1572 6958 6581 1147 1056 1448 1128 2590 3041 1702 1 1689 1891 2972 2657 6994 6560 2421 2198 1397 1255 1 1 1870 2038 1036 1 1014 1031 1190 1 1947 1807 1514 1649 2130 2288 1 1 7051 7633 5819 5580 1 1 1 1 4638 4986 2429 2374 1 1 1068 1067 1361 1262 1 1 1 1 576.8619 *577.2584* 577.2584@4.0838265 1 1 1 1 1 1 1 1 1 1 1 1 2814 2457 1 1 10850 10977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1321 1108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 577.2584 *577.3304* dihydro-alpha-ergocryptine 2578 3024 5090 4611 4031 3779 3261 3549 3349 3328 4511 4067 9601 9579 2522 1849 45706 45656 3929 3785 2934 3034 1950 2261 3520 3318 4228 4423 4799 4964 3616 3724 2005 1853 2063 3283 2947 2546 3039 2725 2315 2321 5451 5407 3354 3338 3003 2653 2125 2367 1300 1 1798 1837 1547 1520 2640 1726 1731 1474 6012 5909 1896 2029 1982 2007 1267 1044 3464 3419 3788 4167 1965 2045 1210 1527 2897 3226 6915 6804 1497 1394 1444 1291 2428 2612 1350 1628 2250 2759 577.3304 *577.4246* 577.4246@13.436684 1 1 1 1 1263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 577.4246 *577.6903* 577.6903@0.83820325 6585 1 1 1 1 1 1 1 1 1 1 1 1 1 13224 1 1 1 1 1 1 1 1 1 1 1 1 6086 1 12087 1 1 1 1 1 1 1 1 1 1 7023 1 1 1 11237 1 1 1 1 1 1 1 1 1 1 6564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11132 1 11335 1 1 1 1 1 1 6071 1 1 1 1 577.6903 *578.1427* 578.1427@0.89950305 1 1 1 1 1377 2217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1954 1984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2320 1901 1 1 2565 1527 1 1 1772 1196 1 1 1 1 1 1 1 1 1 1023 1 1 1482 1281 1299 1017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1084 1 578.1427 *578.2828* 578.2828@11.684528 1 1 1 1 1 1 1 1 1 2414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1697 1 1 1 1 1 2099 1 1 1 1 1 1 1 1394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 578.2828 *578.4204* C20 H50 N16 O4 61148 64734 65309 65173 62751 65817 66301 65189 63561 68650 65942 62231 67150 61229 66429 68614 61218 65381 61032 66178 67306 62167 67464 66119 66991 66397 65693 62321 67017 63292 65205 65591 65818 65583 62696 62458 64114 65059 62345 64766 64436 63434 63569 66053 76681 65462 59839 59694 55557 60951 55861 59623 60304 64011 56524 56520 46704 54896 55286 56574 56951 54974 57386 55348 57498 56278 56017 57921 57979 57148 56298 58897 54898 55966 57634 56153 53460 55812 53656 53859 22630 54513 54763 56445 53385 55928 59464 55937 1 58068 578.4204 *578.4224* 578.4224@14.574085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3238 1 1 1 1 1 1 1 1 1 1 1 1 1470 1 3199 1 2170 1 1 1 1 1 1 1 1 1 1 1596 1 1 1 1 1 1 1 1 1563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1464 2001 1 1 1 1 2798 1 1 1 1 578.4224 *578.425* 578.425@14.23472 1 1 1 1 1 5131 1 1 1 1 1 1 1 1 1 1 1 5603 1 5290 5354 1 1 1 5603 1 1 1 1 5105 1 1126 2432 1 1 1 4574 4802 1 1 1614 1 1 1 5873 1 1 4795 2778 1 1 1 1 1 1 1 5478 1 4075 1 1 4561 1 1 1 1 1 1 4828 4207 1 1 1 1 3885 4269 1 4449 4851 1 31730 1802 1 1 4209 4570 1 1 54832 1 578.425 *578.5223* 578.5223@14.147008 1 1 1 1 1 5303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 578.5223 *578.9204* 578.9204@14.63058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1350 1 1 1 1 1 1 1 1 1 1 1 1 578.9204 *578.9218* C20 H5 N O18 S 37792 37524 36268 37452 34641 37592 35052 37356 37963 36379 38709 37498 34502 39537 37122 38486 37720 34544 37251 36074 36292 35833 35143 34056 36844 39275 38939 40077 36469 35523 37907 35899 37204 36966 37627 35047 36943 38201 35232 35608 34678 1397 35069 2003 46771 35391 32506 33916 30548 35715 31932 35616 33793 33206 31663 35316 28640 32855 33858 32909 30363 32589 31481 30522 31990 30297 32419 30056 33167 32801 1267 30968 33562 30724 32618 31770 29749 29363 28707 33099 31503 31887 31623 34981 31828 31526 30441 33544 32786 31920 578.9218 *578.9222* 578.9222@14.498567 1 1 1 1 2499 1901 5305 1 1 1 1053 1 1 1 1 1 1 1 1 1 1 1562 1 1 1046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1347 1465 34859 1 38576 1 1 1 1 2197 1 1 1 1 1 1 1105 2983 1 1 1 3220 1 1 1 1 1 1 1 1 1 29733 1 1 1 1 1 1 4285 1 1 1890 1 1 1 1 1 1 1 1 1 578.9222 *579.2262* 579.2262@3.2391915 1 1 1 1 1 1 3197 3643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1786 1875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 579.2262 *579.2412* C17 H29 N19 O3 S 8093 8982 7807 8167 8087 9008 1 1 10430 11303 8497 1322 9157 9177 10163 9819 8424 8663 10552 9728 9183 9013 1 1541 9331 9278 9549 9321 9043 9154 8734 8937 11153 10666 9309 9454 9285 9737 10472 10739 9007 9083 10639 10850 11190 12227 1770 1794 11235 10811 8432 8915 8875 9093 10119 11411 11051 10118 10412 9998 1 1 9978 1480 9188 9357 10238 9803 8478 9411 9583 9570 1502 9570 9424 9460 9471 9633 9696 8595 10857 10551 10482 10146 10363 10329 8106 8419 8077 8725 579.2412 *579.4226* 579.4226@14.484307 1 1193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5188 1927 1 1 1 1 1 1 1420 1 1 1 1 1 1 1 1299 1 1 1 1 1075 1 1 1 1 1 1 1 1578 1 1 1 1 579.4226 *579.4327* 579.4327@14.138265 1 1 1 1 1 1 1 1 1 1 1 1 1 2010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 579.4327 *579.6833* 579.6833@0.8392721 4668 1 1 1 4143 1 1 4403 1 1 1 11798 1 1 1 7960 1 7912 4284 1 4278 8122 1 1 1 7928 4391 12086 4410 1 1 4256 1 1 1 1 1 1 1 1 7412 1 1 1 1 1 1 7475 1 1 1 4573 1 28225 25585 7208 1 1 1 1 1 1 4239 1 1 1 1 4395 1 1 4191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7402 1 25086 4190 1 579.6833 *579.8967* 579.8967@0.80600107 1 1 1 1 1 1598 1 1 1 1425 1 1 1542 1 1 1 1 1 1 1 1491 1424 1 1 1 1 1 1400 1433 1368 1 1 1463 1 1 1 1 1315 1 1373 1 1470 1 1394 1 1447 1 1 1 1 1 1 1374 1 1 1 1 1 1317 1 1 1 1544 1 1 1 1265 1 1 1506 1 1 1 1 1 1300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 579.8967 *579.9234* 579.9234@14.385599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 579.9234 *580.719* 580.719@0.8350264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 580.719 *581.4481* 581.4481@14.450795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 581.4481 *581.4502* C30 H63 N O9 2803 2893 2834 2360 1992 2732 2204 2457 2201 2940 1739 2365 2730 2839 2497 2032 2449 2684 2082 2867 2553 2416 2618 2254 1746 2805 2690 2911 2115 2839 2459 2419 2660 2516 2543 2904 2579 2816 2606 2200 2518 2463 2204 1903 2999 1707 2731 2181 2072 2039 2470 2170 2306 2413 2835 2077 2261 1613 1656 2097 2280 1642 2475 2538 2485 2372 2218 2484 2563 2402 2182 2569 2429 2460 2031 2541 2403 2562 2350 2277 1910 1917 2049 1727 2503 1649 2051 2403 1942 1 581.4502 *581.6774* 581.6774@0.839846 2945 2714 1 1 3390 2988 3002 2952 2921 2608 3016 1 1 1 1 1 3728 1 1 2736 1 1 3591 1 2951 1 1 1 1 2415 1 3291 3170 1 3027 1 1 1 4156 1 1 1 1 2849 2664 1 3239 1 2972 3747 3277 2700 1 1 1 1 1 2670 3512 1 1 3016 1 2910 2572 3422 3020 2632 3424 3093 2968 2471 1 2776 2470 3276 3335 2598 1 2946 3209 1 3459 3030 3124 1 3122 1 3407 3269 581.6774 *582.7121* 582.7121@0.8387892 1 1 1 1 1 1 1 1 1 1 1 1 4913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8745 1 1 5080 1 1 1 1 1 5247 1 1 1 1 1 1 1 1 1 1 5372 1 1 1 1 1 1 1 1 4678 1 5304 5665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4592 1 1 1 1 1 1 1 1 1 1 1 582.7121 *583.1682* 583.1682@3.2360296 1585 1 1355 1150 1 1 1 1 1 1 1414 2293 1 1 1 1 2507 1 1 1 1 1 1 1 1 1 1 1 1160 1038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1802 1 1 1 1 1 1 1 1 1 1092 1 2429 2250 1 1 1022 1045 1 1 1298 1255 1 1 1 1 1 1 1 1 1154 1 1 1 3422 2047 1 1 583.1682 *583.465* 583.465@13.802079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 583.465 *583.4672* C31 H61 N5 O5 6157 5375 5859 5592 5784 4317 5004 5025 5491 5425 5494 5491 5305 5697 5139 5328 5394 5427 5696 5585 5328 5000 5271 5402 5977 5347 5548 5688 4846 5179 5348 5344 5800 5616 5135 5764 5721 5255 5934 5698 5748 5916 5698 4895 5700 4548 1683 5516 5041 4828 4899 4973 5356 4952 4873 4274 4023 5073 5176 4988 4724 4898 4746 5161 4883 4260 5286 4940 4619 4502 5004 4534 2972 4861 4993 4525 4331 3376 5037 4820 5104 4274 5042 4840 4688 4400 4562 4805 4284 4480 583.4672 *583.7169* 583.7169@0.83589196 22021 24263 1 22166 23718 4553 23173 1 23594 21479 18965 1 23553 21738 19369 18796 24370 23878 23251 17327 22582 22226 23578 23323 22747 22262 1 1 21681 22006 25796 21814 11284 23220 4285 18460 24362 1 1 21537 22369 22135 1 18976 22100 21236 1 4351 18354 1 23496 4856 4393 1 1 22135 22025 24392 1 22290 21607 21810 23065 23709 23348 1 20939 21990 21885 16697 20898 21680 11932 17573 3983 16033 21213 10770 16970 1 4146 22822 26591 1 21855 20947 10473 1 22808 1 583.7169 *584.197* 584.197@3.2312765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9115 1 1 9132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 584.197 *584.4715* 584.4715@13.791049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1178 1 1 1 1 1 1 1 1 1 1 1 1 584.4715 *584.705* 584.705@0.8389927 1 1 1 1 1 4033 1 4249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 584.705 *585.2719* C19 H39 N9 O12 3406 3681 3371 3429 3405 3448 3196 3565 3338 3106 3065 3432 3482 2815 3190 3462 3313 3426 3625 3352 3376 2858 3761 2901 3153 3217 3235 3614 2782 3228 3306 3054 2883 2759 3032 3463 3859 3352 3831 3117 3266 3053 2991 3553 3518 3895 2923 3423 3526 3406 3490 3487 3504 3410 3416 3242 3144 3604 3074 2908 3236 3007 3384 3334 2505 3318 3551 3137 3227 3079 3386 2856 3038 2728 2994 3276 2598 2748 3214 3158 3105 2643 2715 3257 2789 2640 3221 3098 2402 2591 585.2719 *585.7208* 585.7208@0.8353672 1 1 1 1 1 18881 1 18198 1 1 1 17710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18199 17305 1 1 1 1 1 1 18432 1 1 1 1 1 1 1 1 1 1 1 1 19282 1 1 1 6785 19088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16968 1 1 1 1 1 12060 1 1 1 1 1 1 1 1 1 585.7208 *585.7728* C13 H5 Cl3 O12 S4 1385 1627 1669 1751 1585 1518 2067 1432 1599 1574 1485 1676 1852 1 1581 1580 1744 1419 1791 1622 1756 1678 2001 1850 1699 1615 1758 2050 1442 1354 1338 1474 1651 1547 1668 1667 1491 1713 1972 2163 1600 1510 1515 1664 1505 1713 1772 1330 1802 1637 1924 1606 1667 1876 1655 1568 1821 1851 1530 1 1524 1648 1668 1546 1603 1725 1471 1724 1409 1627 1827 1536 1559 1444 1616 1 1320 1720 1432 1373 1172 1919 1550 1264 1640 1365 1391 1432 1192 1624 585.7728 *586.1729* 586.1729@3.1239305 1 1172 1 1 1 1 1629 1 1 1 1 2995 1 1 1398 1991 1 1 1 3307 1 1 1 1 1 1 1418 1139 1 1 1 1 1 1 1 2363 3381 1 1 1 1 1 1 1 1002 1134 1 1 1 1 1503 1660 1 1 1 1 1 1 1 3834 2204 1 1431 1569 1 1 1 7528 1364 1481 3148 1 1082 1102 1 1 1235 1 1 1 1 2792 1252 1122 1 1 1525 1 1 1 586.1729 *586.3618* 586.3618@11.23231 1 1 1 1057 1 1 1 1105 1083 1 1079 1332 1 1 1 1 1 1153 1102 1 1081 1 1216 1 1 1 1 1254 1 1 1 1131 1 1 1 1 1071 1106 1 1277 1 1019 1 1 1 1 1186 1039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 586.3618 *587.1854* 587.1854@2.993079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2272 1 587.1854 *587.4491* 587.4491@13.41048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1352 1 1 1 1384 1 1 1 1 1 1 1 1 1 1 2976 1 1 2173 1 1 1 1 1 1 1 1 1 2855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 587.4491 *587.7177* 587.7177@0.8364118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5336 1 1 1 1 10837 1 1 1 1 1 1 1 1 10096 1 1 1 587.7177 *588.1357* 588.1357@3.2490928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1086 1 588.1357 *588.4539* 588.4539@14.651428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3746 1 1 1 1 1 1 1 1 1 1 2223 1 1 1 1 5053 1 1 1 1 4042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 588.4539 *588.4548* C33 H68 N2 S3 1 1 1 2456 5029 1 7165 5827 7919 1 7400 2253 1 1 1 1 2543 1 6229 5866 1 7625 1 3457 7867 1 12381 1 1 3642 1273 5553 7068 9017 3596 8760 1 4222 7119 4403 8081 9635 1 1 2262 1 4290 1 1 2987 1 1 1 3110 1 1 1 1 1 1 1 1 1 1 1 1833 1 1 1 1 1 5441 1 1 1 1 2853 1 1 1 1 1 1 1826 1 1800 4525 1 2727 1 588.4548 *588.4557* 588.4557@14.656806 1 1 1 5175 1 1 3733 1 1 1 1 1 2895 1 1 1 2232 1 1 2204 1 1731 10100 1900 1 1 1 1 1 2095 2276 2730 3680 1 2272 1 1 3707 1 1147 1 1 1 11241 1830 1 1 1 1 1 1 7858 1 1 1 1 1 1 8235 1 1 2450 9092 1 1 1 1 2886 1 1 1 3449 3359 7017 9247 1459 1 1 1 1 1 1 6624 1 1 5130 1 1 6063 1 588.4557 *589.1878* C18 H39 N O18 S 4818 4863 5293 5378 3463 3956 5541 5813 3918 4090 6784 7353 5536 4798 5234 5346 6875 7821 4522 4948 4856 4408 3529 4441 5767 5740 5470 5276 5544 5643 5528 5882 5201 5233 5255 5305 3444 3470 5096 4060 5488 5803 5253 5211 4641 4090 5108 5255 5630 5846 4937 4513 5869 5686 4479 3774 5172 5203 3401 3996 4623 4516 5955 5700 7763 8375 3521 3680 5757 6193 4627 4316 7501 6580 5443 5113 5692 5342 3771 3715 4783 4206 6251 6107 4074 3819 9301 10257 4024 3811 589.1878 *589.3939* C30 H51 N7 O5 4439 3784 3422 1042 4095 4507 4597 4663 4417 3876 4647 4812 4454 4282 3945 2056 2587 5019 4431 5055 4889 4052 4525 4318 4324 4391 4469 4686 5017 4721 4205 4082 4537 4698 4466 4127 4097 4072 4281 4980 4404 5037 4933 5161 4802 4657 3881 4853 3852 3887 4078 4429 4201 2935 1098 3302 2035 3944 4238 4471 4034 4340 3961 4664 3862 4010 4631 4072 4131 4301 4042 3956 4350 4441 3689 4011 4292 4019 1289 3511 3724 5089 3307 3577 3711 3746 3946 2477 3273 3626 589.3939 *589.3967* 589.3967@11.706069 1 1 1 3523 1 1 1 1 1 1 1 1 1 1 1 1 1491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1560 1 1 589.3967 *589.4184* 589.4184@12.091532 1 1 1 1 15651 1 1 1 1 1 1 1 1 1 1 1 1 1 13751 1 1 1 1 8283 14956 1 1 14459 1 1 1 14670 1 1 1 1 1 1 1 1 1 1 1 1 1 10733 10133 1 1 1 1 1 1 1 1 1 3303 12069 11726 1 1970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10474 1 1 1 589.4184 *589.4189* C36 H55 N5 S 13684 15548 14718 15895 1 14823 13435 14977 13913 16028 12810 14465 13481 16670 14403 16230 13623 12214 1 15078 13499 14525 11775 1 1 1 13715 1 13158 1 13750 1 13915 13153 11117 14428 8243 13270 6309 14454 13009 1 1 1 14368 1 1 12019 1 11171 1 11913 11325 12265 10772 11963 2621 1 1 1 7934 10169 11325 11087 1 10913 10426 10792 10811 10451 1 7965 10533 1 1 9699 6866 1 10265 7185 1 10366 1 9178 1 10022 1 1990 9065 1 589.4189 *589.4199* 589.4199@12.091284 1 1 1 1 1 1 1 1 1119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2255 1 14128 1 1 1 14113 1 1 1 1 2416 1 1 1 3179 1 1 13798 13005 13357 1 2715 1 1 11794 1 12071 1 1 1 1 1 3335 1 1 11381 1 1 1 1 11101 1 1 1 1 1 9660 3264 1 10809 9538 1 1 11508 1 1 9766 1 10070 1 10733 1 1 8718 1 9652 589.4199 *589.4459* C33 H64 Cl N O5 1 8291 1 2572 6364 4276 1 1106 6110 1 6810 7455 1 3313 3968 3300 1 5616 3176 7105 8635 1 1 7394 3173 1 1 6868 1 1 12692 1595 1 1 1 10178 1 6459 2184 8606 1 10454 8423 3806 8858 3504 7507 3209 1 1 3180 1 2437 1 1 1903 4199 9210 3968 6627 1 1 1304 4369 1 1 4367 7893 1 2074 1 4198 1 1 1 4261 1 1 1 6674 2047 1 1 2764 5543 5366 7811 1 1 3358 589.4459 *589.4461* 589.4461@13.980621 1 1 1 4662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1489 1 1 1 1 589.4461 *589.4464* 589.4464@14.046258 1 2483 1 4604 1 1 1 2158 1 1 1 1 1 3328 4288 1 1 1 1 4554 1 1 1 1 4953 1 1 3174 1 1 2816 5937 1 1 1 1 1 1 1 1 1 1 1 7172 1 1 1 3376 1 1 1 1 7813 1 1 5546 1 1 1 1 1 1 1491 1 1 1 3369 1 1 3106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4350 1 1 1 5425 589.4464 *589.7109* 589.7109@0.836606 1 1 1 1 1 1 1 1 1 1 8466 1 1 1 9510 8387 1 1 1 4199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8817 1 4894 1 1 1 1 1 7171 1 1 1 1 8742 8059 1 1 1 7318 7698 1 1 1 9076 1 1 1 1 1 1 7788 1 1 1 8427 1 1 8510 1 1 8068 1 1 8626 8327 7424 1 1 1 1 1 1 7537 1 1 589.7109 *589.8956* C22 H7 Cl N2 O10 S3 2015 2063 2522 2352 2252 1932 1897 1 2151 2199 1204 2385 1 1934 2692 2463 2881 2313 2485 2348 1 2294 2259 2373 2183 2035 2493 2902 2182 2648 2440 2225 2628 2541 2487 2041 1996 2087 2278 2500 2210 2177 1469 2301 2458 2478 2646 2402 2292 2128 2124 2562 2615 2299 2407 2239 1918 2266 2171 2246 1 2380 2091 2137 2270 1758 2125 2570 2350 2054 2392 1699 1 1497 2613 2124 2154 1668 2526 1953 1 2061 2487 2314 1768 2031 1996 2620 1 2623 589.8956 *590.3032* 590.3032@4.418082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590.3032 *590.4233* 590.4233@12.090094 1 1 1 1 1 1 1326 1 1 1 2327 1 1 1 1 1 1 1 1 1 1 1 2173 3610 1 1 1 1 1 1 1 1 1 1 1 1 1807 1 3535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1526 1 1 1 1 1 1 1 1 1 1 1 1 1 590.4233 *590.4256* 590.4256@12.116651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590.4256 *590.4492* 590.4492@14.026331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590.4492 *591.3095* 591.3095@5.0402484 1 1 1 1 1 1 1 1 1 1 1 1 2897 2584 1 1 14200 13246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1386 1215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 591.3095 *591.3457* 591.3457@5.624109 1 1144 1607 1076 1 1126 1 1 1 1 1 1 1631 1 1 1 1 1 1 1 1148 1 1 1 1 1 1293 1140 1 1046 1103 1291 1 1 1 1 1 1067 1223 1 1 1 1 1 1884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1037 1 1 1 1 1 1 1 1 1 1 1 1 591.3457 *591.3472* 591.3472@5.636363 1 1 1 1629 1 1 1 1 1 1247 1 1 1 1 1 1 1135 1 1 1482 1 1 1 1 1 1 1 1 1 1 1143 1031 1 1 1 1 1 1 1 1 1 1 1 1 1271 1590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1088 1 1 1 1 1 1 1 1261 1 1 1 1 1 1 1 1 1 1 1 1 1 591.3472 *591.3638* C31 H53 N5 O2 S2 4750 4937 5335 5025 4462 4896 5179 4984 5527 5273 5035 5327 5126 5294 5745 5251 5233 4861 4654 5358 5352 4891 5258 5452 5283 5055 5013 4963 5414 5122 5023 5178 5189 5197 4839 5242 4955 5202 5210 5628 5023 5043 5022 5286 3862 3434 2873 2995 3048 2614 3525 3011 3009 3177 3045 2955 2944 3148 2807 3195 3565 3042 3210 2815 4252 4346 3656 3163 3593 3318 3796 3470 3164 3510 3723 3372 3370 3201 3743 3441 2973 3294 3512 3610 3461 3409 2590 3221 3462 3316 591.3638 *591.7028* 591.7028@0.8372081 3902 4208 3760 3031 2778 3632 3279 3591 3633 3799 1 3238 3074 3482 1 1 3612 2904 3799 4954 2660 3507 2926 3631 3342 3874 2701 3377 3022 2723 1 3963 1 3401 3753 1 3929 3454 3277 3307 3106 2716 3357 1 4325 3203 1 3552 1 1 3750 3350 3552 1 1 3420 2871 2728 1 3260 3572 3357 3325 3890 3667 1 2996 2901 3358 1 3658 3325 1 3282 3379 1 3278 3120 1 1 1 3656 1 3599 3789 2455 3031 1 3425 3143 591.7028 *592.1955* C18 H40 N8 O6 S4 1223 1624 1351 1516 1132 1298 1449 1522 1446 1334 1738 2228 1238 1520 1483 1817 1847 1939 1479 1646 1501 1560 1501 1313 1559 1662 1672 1574 1313 1405 1541 1546 1870 1331 1568 1364 1314 1260 1523 1456 1689 1740 1482 1260 1225 1500 1751 1764 1855 1805 1450 1 1515 1495 1273 1522 1549 1458 1163 1215 1342 1001 1487 1261 1739 1905 1293 1 1541 1534 1323 1331 1864 1803 1224 1328 1225 1433 1287 1 1375 1421 1804 1698 1375 1355 1880 2026 1095 1037 592.1955 *592.2088* 592.2088@1.0387037 1 1 1 1 1 1 1195 1 1428 1489 1 1 1 1 1 1 1199 1196 1466 1574 1 1 1208 1 1 1 1 1 1 1 1 1 1 1 1 1 1808 1807 1 1 1 1 1 1 1710 1 1838 1912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1338 1249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1736 1813 592.2088 *592.435* 592.435@12.642681 1 1 11044 1 1 1 1 1 1 31782 1 1 1 1 13088 1 1 18551 32839 1 1 2990 1 1 12019 1 1 1 1 1 1 1 20151 4497 1 1 1 16703 1 1 1 1 1543 1 1 1 6591 1 1 1 1 1 23878 1 1 1 4127 1 1 1 1 1 27329 6315 1 16499 1 1 1 1 2170 1 1 1 1 1746 1 1 24672 1 1 8035 3635 1 1 25100 1 1 25659 1 592.435 *592.4354* C21 H52 N16 O4 27911 33497 13189 29549 32932 34038 34594 34276 33294 1 24091 26037 32943 17106 13736 31368 20914 9025 1 33633 33430 19151 20226 24485 14079 31577 26799 32132 32027 34509 31700 32278 12336 19833 28271 34061 33245 6926 25746 34162 30086 26459 33027 33638 32633 39361 14880 5333 20708 21472 26346 10544 1 27831 25654 28807 8200 26883 27504 27426 22837 17280 1 19043 10235 1 25717 25886 24822 18729 17052 16577 14080 16615 26174 6044 26175 17424 1 12573 11473 17175 20441 20975 17566 1 25214 21113 1 18762 592.4354 *592.4356* 592.4356@12.5665 1 1 1 3042 1 1 1 1 1 1 1 1 1 9944 1 1 1 1 1 1 1 1 11855 2996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10289 3750 1 1 1 2494 1 1 1 1 1 1 1 9627 1 1 1 1 3752 1 1 6132 7368 1 3911 1 4978 1 6691 1 1 1 1 2168 1 1 2737 1 1 592.4356 *592.436* 592.436@12.717504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11538 1 1 1 1 1 1 1 1 1 1697 1 1 1705 1 1 1 1 1 1 1 1 1 1 1 1 1 1178 1 1 1 1 1 1 1 2424 1 1 1 1 1 1 1 1 1 1 1 1 1 5821 7748 1 1440 1 10510 1 1 1 1 6550 1 1 1 1 1 1 1 1 1 592.436 *592.7283* 592.7283@0.8289923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.7283 *592.9367* C24 H3 N O18 1 1 1 18430 1 19561 15658 1 1 5918 18589 1 17752 1 1 14578 1 10615 1 1185 1 14791 6551 1947 1 1 15116 1 1 1 1 17461 1503 1 2813 1 1 17749 3758 2200 1 1 18340 1 1 1 1 10358 1 1 13326 1254 9870 9263 12692 11136 3451 2409 5977 7372 3979 13680 13636 5272 9374 1 6109 1 1 1 10949 13529 5313 1 1 4558 1 1 1 7630 1 1 1 13675 11344 2272 9675 12731 1 12118 592.9367 *592.937* 592.937@12.637886 1 1 1 1 1 1 1 1 1727 6807 1 1 1 1 1 2814 1 1 1 6911 1 1 1 1 1 1 1 1 1 1 1 1 12412 1 1 1 1 1 1 14614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1401 1 1 1 1 1 1 6057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2050 1 1 1 592.937 *592.9372* C21 H7 N O18 S 13681 17819 19127 1 18902 1 1 17900 16811 6845 1 18186 1443 16744 17369 1503 15435 5154 15476 9462 17513 1 3842 15878 17974 17867 1 19437 17274 18828 17402 1 3122 17217 16710 18570 17038 1 12685 1355 16644 18074 1 15928 19228 21022 15762 1966 15211 14699 1 7652 4885 6035 1 2847 2324 11485 7489 2477 8133 1 1 3363 4957 13591 7522 13705 14330 13271 2123 1 8104 14721 13901 5814 14487 1 13289 5621 12829 14500 13554 1 2776 5938 1662 1834 13712 1 592.9372 *593.3424* C30 H43 N9 O4 2791 2455 2149 2687 2234 2788 2850 2842 2633 3004 2884 2804 2798 2472 2512 3065 2619 2975 2781 2533 3024 3144 2713 2930 3309 2744 3044 2596 2938 2930 2992 3456 2945 3116 2435 2869 2793 3163 3066 3023 2671 2667 2370 2975 2473 1969 1647 1443 1423 1571 1695 1354 1533 1909 1512 1074 1184 1467 1779 1952 1544 1494 1590 2030 1754 1610 1553 1525 2036 1847 1876 2178 1664 1979 1959 1851 1911 1849 2666 2523 2068 1812 1716 1948 1955 2282 2133 2194 2148 1805 593.3424 *593.4359* 593.4359@12.598611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 593.4359 *593.4379* 593.4379@12.643029 1 1 1 1 1 1 1 1 1 1 1 3130 1 2561 1 1 1 1 1 1 1 1 1 1438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2733 1 1 1 1 1 1 1 1 1 2124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1525 1 1 1 1 1 1 1 1 1 1 1 3188 593.4379 *593.4383* 593.4383@12.623759 1 1138 8502 1 1421 1 1 1 1 1 1 3212 1 4899 7769 3056 4042 1 1 1 1 1 1 3270 3122 1 1 1 1 1 1 1 1 4083 1 1 1 6130 2730 1 1 1 1 1 1 1 1 2608 3830 2524 1 6332 1 1 1 1 1 1 1 1 1 1601 1 1 5687 5726 1 1990 1 2083 1 1 6118 1 1 2913 1 2357 1 5006 1 1 1 3510 3177 1 1 1981 1 3042 593.4383 *593.7443* C17 Cl2 O10 S5 4090 3951 4137 4086 10510 15710 4301 11838 1 4258 4140 4847 4314 15952 4671 4081 4553 4283 9992 4257 4184 4334 4327 4008 4095 4381 4114 15924 11047 4280 4278 4356 16737 4425 3566 1 3624 10304 4717 4184 3930 9632 4633 10891 4332 4032 3987 22742 16517 3737 4207 4230 4578 1 4224 3890 4405 22239 4333 4423 4206 4318 10167 4360 9936 10069 9496 3999 3971 3691 9323 3787 4097 4101 9290 4126 3807 9056 10072 3652 3715 4192 20457 4060 3599 4362 3980 1 16343 4175 593.7443 *594.151* 594.151@3.2484794 1 1 1 1 1447 1350 1 1489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1630 1306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3834 4578 594.151 *594.3653* C31 H46 N8 O4 5189 15174 15347 1 1 15882 15836 7517 15680 5594 1 14378 8780 6061 8409 7958 1 7892 1 6947 16626 14527 16240 6578 16675 1 7097 12482 7530 12539 3784 1 16838 1 1 1 4466 16062 10453 1 6870 10211 5577 15891 17492 5843 5903 7671 8109 17000 11928 9639 11567 17423 1 12438 7116 8833 6529 6742 1 15865 10682 9536 9967 16064 9124 1 8255 13708 1 1 1 10241 1 1 6877 10449 6579 10256 15762 10235 1 1 1 17137 6107 12220 1 4785 594.3653 *594.3656* 594.3656@12.264148 7018 1 1 9209 1 1 1 8515 1 1 7525 1 7867 7412 1 1 8460 1 1 1 1 1 1 8982 1 6975 1 1 1 1 1 1 1 7620 7089 1 11379 1 7446 10446 6250 5952 1 1 1 7586 1 8837 1 1 1 1 1 1 9204 1 1706 1 1 8888 7431 1 1 6617 1 1 1 1 4555 1 9191 1 1 7880 15547 1 8971 1 9588 5135 1 1 1 11267 15861 1 1 1 1 7644 594.3656 *594.3661* 7,8-Didehydroastaxanthin 1 1 1 7016 5337 1 1 1 1 1 8241 1 1 1 5525 9131 7905 9040 16834 5135 1 1 1 1 1 5166 5195 1 9536 3773 1682 9643 1 7712 5198 16377 1 1 1 5264 1 1 11524 1 1 1 6736 1 4927 1 5319 6656 4756 1 6359 1 6645 7542 6726 1 5139 1 5284 1 6640 1 1 16048 1 1 6477 16626 16569 1 1 16056 1 6343 1 1 1 6066 16871 4170 1 1 6559 1 1 1 594.3661 *594.7164* 594.7164@0.83101404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1652 1 1 1 1 1 1 594.7164 *594.7224* 594.7224@0.825998 1 1 1 1 1 1 2225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1879 1 1 1 1 1 1 1 1 1 594.7224 *594.8673* C16 H5 N O18 S3 8533 10378 9151 3669 3852 4029 9238 4194 9213 1 7303 9370 4347 8581 5918 9368 6000 8767 4755 9189 9725 3374 3352 9784 9533 6676 5283 9154 9855 4718 1 9845 9962 4677 9215 9378 10099 9369 4884 10400 4030 9972 4815 9062 10811 1 9348 5515 1 1 9327 5561 8497 9343 1 1 4273 8993 9929 4582 9213 9312 10039 9917 5355 9628 9543 3464 4530 1 4382 9313 1 4101 8849 9170 4405 9343 9319 8966 5064 2745 9874 5591 8538 10036 9766 9179 9225 4437 594.8673 *594.8677* 594.8677@12.249003 1 1 1 5649 4940 1 1 5062 1 9035 2370 1 4878 1 4091 1 3256 1 1 1 1 5022 6595 1 1 3244 3772 1 1 1 9282 1 1 4886 1 1 1 1 1 1 1 1 3520 1 1 8978 1 3581 9453 10354 1 3973 1 1 9142 3030 4412 1 1 1 1 1 1 1 3589 1 1 6096 1 8786 1 1 9730 6018 1 1 5058 1 1 1 1 1 1 4039 1 1 1 1 1 5426 594.8677 *595.2049* C16 H37 N9 O11 S2 9409 11156 10891 10172 9009 9639 10875 10683 11278 11207 11393 11274 10774 10943 11454 11687 12395 11901 10986 11008 9910 10228 10191 9167 11811 11571 11531 10767 11199 11572 11176 11017 11646 13108 10925 11110 9477 9060 11223 11392 11719 11396 11410 11496 10955 11506 12689 12384 12517 12319 10097 10690 11214 11083 11419 11412 12035 11820 9650 9781 11279 11384 11828 11845 13048 13373 9497 8995 12584 11586 10150 10121 13033 13279 12020 11039 10671 10817 8592 9243 11118 11564 12986 12355 9907 10584 14172 13684 9276 9031 595.2049 *595.3673* 595.3673@12.240008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2798 1 1 595.3673 *595.3684* 595.3684@12.251401 3934 1426 1 1 3663 1 1 1 1 3580 1 1535 1 3872 3569 1 1 1 1 3676 1 1357 1 1 1 3425 3482 2403 1 1 3730 1 1 1 3407 1 1 1 1 1 3607 1 1 1200 1 3882 3500 1 3630 1 1 1 1 1 1 2267 1 1 3282 1 3409 1 1 1 1 1 1 1 3503 2660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3642 1020 3646 3478 595.3684 *595.5009* C36 H69 N O3 S 11865 14181 2268 13287 12221 1411 12388 1 2873 9014 1 13353 1 1 13288 13404 1 1 1 1 12691 1 12125 1 11267 11360 9320 11144 11761 12654 1885 1 6935 3075 10694 1 1 12685 1 1 11805 1 4764 1 2772 16977 1 1885 1 7955 11669 8451 1 7855 1 11489 2032 1 11429 10129 1 1 8080 10911 1 1 10809 1 1 2037 1 10704 10906 10410 9561 1 1 11261 9620 1 1 7902 1 7335 1 1 9476 11192 1 10309 595.5009 *595.5019* C36 H69 N O3 S + 14.055003 1 1 9522 1 1 10843 1 9001 10939 1 12487 1 11840 11466 1 1 11478 11762 12277 13321 1 11747 1 13879 1 1 2532 1816 1 1 9581 12396 2582 9436 1 12367 13147 1 10144 12298 1 13689 3830 11503 8708 1 11133 5605 10639 1227 1 1 11799 1176 11100 1 3773 11471 1 1 8847 9790 1 1 11171 11087 1 11763 10663 9429 10220 1 1 1 1 11545 10585 1 1 11288 9738 2050 10811 1 11083 10389 1 1 10081 1 595.5019 *595.7479* C13 H2 Cl2 O13 S5 5694 12104 16413 10468 1 1 5225 1 5663 5502 11706 5265 11504 1 11773 16336 5796 5429 1 11540 15911 10809 5052 5273 16941 5468 10851 1 1 11725 5574 11300 1 5243 11425 5403 11167 1 11828 5375 11157 1 5191 1 10426 5229 5431 1 1 5567 5601 11799 1 11198 11877 5289 5629 1 5024 5187 5639 17427 1 5674 1 1 1 16627 10343 4877 1 4654 11797 15590 1 4825 11193 1 1 11193 5287 5230 1 10519 4712 5343 10969 5047 1 5268 595.7479 *596.2822* 596.2822@3.6387994 1 1 1 1917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.2822 *596.4729* 596.4729@10.044928 1 2750 1 1 1 1 1 1 1 1 1 1 1 1 1 3739 1 1 1 1 1 1110 1 1 1 1 5104 1 1 1 1 1 1 1 1 1 1 1 1 10535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3588 1 1 1 1 1 1 1 1 1 1082 1 1 1 1 1 1 596.4729 *596.5045* 596.5045@14.08031 1 1 1 1 1 1 1 1 1 1352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.5045 *596.5055* 596.5055@14.053265 1 1 1 1 1 1 1 1 1 1564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2529 1 1 1 1 1 2259 1 1 1 1 1 1 1 1 1 1 1043 1 1 1 1 1 1 1705 1 1 1 1 1 2562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.5055 *596.6708* 596.6708@9.939373 1 1 1 1 1 1 1 1 1 1 1 1 1095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.6708 *596.7601* 596.7601@9.932723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.7601 *596.7741* 596.7741@9.930659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.7741 *597.4747* 597.4747@10.000531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1604 1 1 1 1 1 1 1 1 597.4747 *597.4813* 597.4813@14.319286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 597.4813 *597.7409* 597.7409@0.877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 597.7409 *597.7432* C16 Cl2 O11 S5 5550 1 1 1 6287 1 5060 5429 10823 5509 1 5356 1 1 1 1 1 4708 10573 1 1 1 4698 6379 1 11085 1 1 5388 1 5448 1 1 13117 1 4655 1 5053 1 4578 1 10245 4948 5243 1 10245 4616 1 1 10094 5027 1 10866 1 1 4989 4107 1 4739 5060 5503 1 1 5376 10500 1 1 1 1 9858 4696 4722 1 1 4856 10135 1 4729 4633 1 4956 4900 1 1 4673 9005 1 11105 1 9838 597.7432 *598.2061* 598.2061@3.2463036 1 1 1 1 1 1 1334 1116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 598.2061 *598.2107* 598.2107@3.23665 1004 1 1 1 1 1 1 1 1400 1493 1 1 1191 1 1114 1192 1 1 1 1 1056 1 1183 1 1 1271 1106 1 1 1 1 1 1448 1 1208 1 1 1182 1311 1 1 1337 1129 1205 1307 1 1003 1133 1202 1232 1 1 1291 1 1301 1 1197 1 1153 1065 1115 1126 1 1 1 1 1052 1043 1 1 1 1250 1 1 1 1078 1 1 1 1 1 1023 1053 1 1109 1207 1 1 1 1060 598.2107 *598.3728* C33 H50 N4 O6 1389 1493 19165 19119 4013 4040 2692 2945 3244 2269 3672 2760 4722 5084 1987 1698 1846 1845 3253 3378 1970 1948 1557 1707 8743 8319 1945 1998 1991 2026 10658 10903 1490 1312 1423 1932 4419 4585 2284 1775 2688 2407 4878 4276 10012 9739 2890 2771 1456 1831 1085 1331 1 2424 1 1207 1559 1510 1480 1072 1897 1736 2588 2012 3241 2963 1170 1 10668 10381 8154 8324 1096 1253 1251 1367 7778 7141 2350 3389 1127 1 1139 1072 2403 1659 1405 1 1184 1066 598.3728 *598.3812* 598.3812@4.7138133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3790 3671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1996 1873 2367 2276 1938 2358 6286 6724 4229 4130 3081 3247 1 1 1 1 4041 3599 1 1374 3437 3430 1 1 4373 3986 2124 2374 5339 3296 598.3812 *598.3816* 598.3816@4.556313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1618 1400 1 1565 5793 5636 3102 3433 1 1 1 1 1 1 2873 2056 1 1 1804 2681 1 1 2732 2316 1 1 4288 1 598.3816 *598.8731* C18 H N O21 S 1 1 10630 10143 1961 2178 1405 1431 1513 1666 1 1902 2718 1 1 1 1 1035 1484 1398 1 1163 1051 1 3848 4596 1 1 1081 1 5155 5485 1 1 1 1 2213 2121 1 1289 1041 1531 2034 2403 5119 4983 1510 1686 1189 1080 1 1 1541 1491 1 1 1 1 1 1 1 1232 1028 1183 1452 1 1 1 5743 5802 4386 4375 1 1 1 1 3973 3557 1568 1706 1 1 1 1 1158 1240 1 1 1 1 598.8731 *599.4597* C35 H69 N S3 8090 4802 6498 8250 1 1074 6177 6399 7201 6024 5683 7837 6458 5883 7226 8113 6594 6313 7385 6053 6934 6527 7265 5695 5742 1 1 6375 5662 7153 6993 6964 1066 6622 5369 5073 5354 1 1 6041 5907 6884 6471 5137 5694 4969 4754 4826 4067 5678 5369 1 4132 4088 6434 5106 2382 4931 5088 5729 1 5354 1 1 5465 4953 5618 5300 4190 4076 4985 1 4612 5051 1 4998 3662 1 5411 2977 4820 5265 5108 4808 4773 4282 5049 3170 4589 4593 599.4597 *599.4608* 599.4608@12.583287 1 1 1 1 7746 6106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7114 6438 1 1 1 1 1 5450 1 1 1 1 6286 5673 1 1 1 1 1 1 1 1 1 1 1 1 4625 1 1 1 1 2908 1 1 1 5298 1 5354 3471 1 1 1 1 1 1 1 5093 1 1 4809 1 1 4864 1 1 1 1 1 1 1 1 1 1 1 1 599.4608 *599.4608* 599.4608@11.220223 1260 1 1435 1 1 1 1464 1 1199 1 1 1 1 1 1 1 1 1 1104 1 1 1 1026 1 1 1 1031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 599.4608 *599.7367* C13 H3 Cl3 O11 S5 1 4580 1 4155 4725 4498 8618 4557 1 5090 8543 8846 1 4310 4946 1 8454 4756 1 4164 1 4064 7653 4249 1 1 4654 1 4883 4505 4543 1 4593 1 1 4769 4902 4782 4310 4423 1 1 4586 6425 3950 1 4956 1 4777 1 4784 1 1 4619 4427 4347 4624 1 4544 4764 1 1 1 1 1 1 3839 1 4231 1 4027 4012 4401 1 8074 1 4304 4630 1 3669 7938 4327 1 4680 3948 1 4709 1 8101 1 599.7367 *600.1991* 600.1991@0.9520139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 600.1991 *600.3272* 600.3272@3.77672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5446 5656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 600.3272 *600.4331* 600.4331@14.474497 1 1 1 1 1 3390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55981 1 1 1 1 1 1 2033 1 1 1 1 1 1 1 1 1 1 1 1 1 2281 1758 1 54174 1 2552 1 1 1690 1 1 1752 1 1831 1 2241 1 1327 1630 2918 1 1 1 1 1 1 52596 1 1 1 49884 1 1 1 1 1 1 49643 3018 1 1 49822 1 2852 1 600.4331 *600.4332* C29 H52 N12 O2 59972 58784 61104 61299 62612 62407 60248 60663 57611 58714 59051 60648 61405 60826 57302 64245 58678 58503 62167 60122 61622 59500 56847 59486 1743 59579 56339 56940 61643 58255 63349 61924 59414 54897 60392 59590 54904 59073 61344 61810 61073 55843 60470 62960 73396 57686 53654 51027 1559 53533 52069 53266 49753 51911 52149 52941 47528 51784 51703 50822 51055 49541 51296 53749 49796 50617 48388 52172 50158 49157 49012 3677 51572 52625 49374 1 51654 52571 48600 52486 52505 48848 2022 48856 51634 48142 1 48159 47696 47979 600.4332 *600.4334* 600.4334@14.546666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1535 1 1 1 1 3909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 600.4334 *600.934* 600.934@14.465831 1 1 1 1 1580 1319 1 1 1 1 1 1 1 1 2164 1 1 1 1 1 1 1 1046 1 1 5361 1 1 1 1 1 1 1 1 1 1 1459 1 1 1 1 1 1 1 1 1 1 1 1 1 31560 1 1 1 1 1 2013 27214 1 1 1 1 1294 1 1 1 4310 1 1 28158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1919 1 600.934 *600.9347* C17 H7 N5 O16 S2 32544 38502 34859 33902 36662 35221 32636 33730 36534 37122 33911 39846 37764 37629 34887 33661 32781 37440 35956 36868 33489 32643 35863 34879 36907 32273 33120 37576 35349 32863 36044 36521 37088 31838 35890 33634 35514 36564 34293 34669 35087 35241 33967 34572 43420 33565 31812 28114 33294 29441 1 31483 32416 33677 32186 30568 28248 3927 30974 30446 30873 29361 31114 31442 30249 29255 28385 33646 29293 1593 30800 31506 29061 30633 31816 29535 30957 29108 30575 30569 29682 29991 28865 28419 29634 28457 29024 29948 30094 29610 600.9347 *601.2242* 601.2242@3.2381556 1 1 1 1 1 1 7118 7337 1 1 1 7615 1 1 1 1 1 1 1 1 1 1 1 8274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9854 10027 1 1 1 1 1 1 1 1 1 1 1 1 1 8579 1 1 1 1 1 1 1 1 1 1 8023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 601.2242 *601.4392* 601.4392@14.453026 1 1 1 1 1149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 2285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1575 1 1 1 601.4392 *601.5743* C35 H75 N3 O4 1069 1 1172 1 1 1635 1 1434 1 1504 1 1559 1 1204 1 1654 1144 1609 1 1 1 1 1 1470 1256 1813 1258 1626 1216 1384 1044 1148 1114 1 1420 1675 1 1210 1338 1 1345 1433 1348 1394 1 1 1 1 1333 1 1436 1423 1179 1249 1 1 1445 1549 1 1 1 1 1 1 1361 1 1 1 1 1 1549 1350 1 1714 1337 1090 1 1 1 1154 1346 1473 1393 1 1561 1 1 1 1 1373 601.5743 *601.5789* 601.5789@0.8540011 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1146 1369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 601.5789 *601.7048* 601.7048@0.8385151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1976 1 1 1 1 1 1 1 1 1 1 1 601.7048 *601.7144* 601.7144@0.84401435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2307 1 1 1 1 1 1 601.7144 *601.7203* 601.7203@0.84421813 1 1 3376 1 1 1 1 1 3611 1 1 1 1 1 3625 1 1 1 1 1 1 1 1 1 1 1 1 1 3072 1 2824 1 1263 1 1 1 1 1 3084 1 1 1 1 1205 1 1 1 4042 1 1 1861 1 1 1 1 1680 1 1 1 3156 2885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2896 1 1 1 1 601.7203 *601.7233* C16 H Cl3 O9 S5 5658 3357 1 2937 1794 1 1 1 1 3572 1 1 2838 2461 1 3566 1 3198 3133 3516 1 2966 1 1891 3470 3123 1 3003 1 3167 1 1 1631 1 3050 1 3347 3368 1 2969 3105 3486 2926 1 1 2612 3324 1 3310 1145 1 3120 1 3117 1460 1 2649 2752 3963 1 1 3892 3288 1 3066 2682 1 1 1205 3065 2119 2879 3225 3632 1 2967 2395 2760 1 1 1 3148 1495 1 2679 1 3261 1 1 1 601.7233 *601.8489* 601.8489@0.809007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 601.8489 *602.7606* 602.7606@0.8220117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 602.7606 *603.5673* C34 H69 N9 5235 5344 5637 5947 5705 5688 4435 5012 4961 5037 4788 5117 5532 5502 5273 5181 5249 4878 4899 4629 5143 5138 5500 5868 5152 4824 5541 5576 5409 5325 5061 4847 5322 5400 5382 5712 5137 4770 5925 5540 4951 4946 5352 4778 4839 4337 4527 4416 5610 5602 5159 5248 5244 5091 4407 4533 5022 4946 5067 5251 4349 4356 4389 4825 5465 4862 5311 5232 5333 4921 5414 5144 5101 4936 5217 5072 4723 5273 4754 4924 4840 5052 5138 5137 4815 4876 5188 4712 4627 4654 603.5673 *603.6883* 603.6883@0.8400011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 603.6883 *603.7369* 603.7369@0.8463749 1 1 1 1 1 2261 1 1 1 1 1 1 1 1 1 1 1597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1260 1 1 1 1 1 1 1 1 1 1845 1 1 1 1 1344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2082 1 1563 1 1 1 1 1 1 1 1 1 1 1 1364 1 1 1 1 1 1 1 1 603.7369 *603.7569* 603.7569@0.8533456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1737 1 1 1 1 1309 1564 1 1 1 1 1677 1 1 1 1 1 1 1 1 1 1 1 1 1 1318 1 1 1 1 1 1 1 1 1 1 1 1 1 1501 1 1 603.7569 *603.7682* 603.7682@0.82300246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3200 1 1 1 1 1 1 3489 3390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3641 1 1 1 1 1 1 1 3811 1 1 1 1 1 1 1 9490 1 1 1 1 1 3702 1 1 3467 1 3727 1 1 1 1 1 3498 1 1 1 1 1 1 1 1 3726 1 1 1 1 1 1 603.7682 *603.7719* C12 H7 Cl3 N2 O10 S5 2291 3567 2699 2650 3806 1 3340 4113 3405 3684 3963 2646 3556 3602 3308 1 1 4544 3553 8644 3640 2466 1 1 1 3964 2656 3068 3847 3999 3590 3012 1 3774 7040 1 2472 2241 3895 2825 2712 1 1 1 3459 2989 3902 1 1 1 2732 3375 3952 6045 1 4250 2406 1 2283 1 8278 4036 10097 1 1 1 1 1 1 1 2767 2208 1 8985 1 3136 1 3309 3512 7238 3268 6143 7565 1 1 2979 1 1 7666 3179 603.7719 *604.6713* 604.6713@0.8400038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 604.6713 *605.3615* 605.3615@5.8095965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1451 1901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 605.3615 *605.5633* 605.5633@0.85045964 7808 8320 7874 8032 7794 8653 6971 6826 7870 7289 7579 7277 14753 8045 8207 7884 7673 7677 6962 7032 7678 7325 7593 8096 7229 7458 8472 7981 7710 7494 7448 7116 7743 7865 7425 7403 7421 7294 8579 7632 7315 7584 7690 8228 7461 7563 6585 6548 8454 8309 6581 7177 7626 7223 6459 12246 7175 7886 7447 7482 6704 6475 6481 7008 7609 7107 7141 7468 7238 6974 7669 7829 7179 7143 7257 7543 7330 7454 6985 7130 7556 7634 7654 7210 7387 7189 13332 7337 7076 7040 605.5633 *605.6657* 605.6657@0.8400033 1 1 1 1 1150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1639 1 1 1 1 1 1 1 1 1 1 1 1 1450 1 1 1 1 1405 1 1906 1 2206 1 1 1 1 1 1 1926 1 1166 1 2203 1 1 1963 1 1 1 1 1 1 1 1463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1062 1 1 1 1 1 605.6657 *605.7698* 605.7698@0.8530053 1 1 1 1 1 1 1 1 1415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1366 1 1 1 1 1 1 1 1 1 1483 1 1 1573 1 1143 1357 1 1 1 1 1 1 1 1 1 1 1 1 1244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 605.7698 *605.7751* C15 H5 Cl3 N2 O8 S5 8618 3514 3466 6163 3523 3542 3547 3904 2092 3770 3724 3716 3430 3721 3940 3623 3789 8159 3388 1 3243 6081 8484 3600 7731 8306 7811 3224 3460 3804 3507 3295 1 3973 1 2269 3986 1700 3692 3546 3188 3168 3610 3125 1 1 3655 8197 1 3538 2179 2035 3399 1 3452 1 3688 1 3593 3162 1 3296 1 3998 2287 3137 3070 3030 3334 3502 7629 2869 3753 1 3674 3569 9295 3257 3186 1 3126 1 1 2992 3945 3618 1 3160 1 10781 605.7751 *606.4512* 606.4512@13.723095 1 1 1 1714 1805 1 2598 1849 2275 1214 1 1 1 2688 1 2579 1 1 1 1 1871 2844 1 1 1368 1 3594 1 1 2868 1877 1 1 1 1 1 1 1 2061 1337 1 1 1 1127 1630 1 1927 1 1 1 1 1 1 1 2602 1 1 2248 1 1 3665 1 1 1 1 1 1 3160 2357 1 1 1 1 1 2308 1 1 1 1 1 1961 1618 1347 1 2303 1 1 1 1 2145 606.4512 *606.4522* 606.4522@13.74027 1 1 1 1 1 1 1 1 1 1177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 606.4522 *607.3041* 607.3041@4.258647 1 1 1 1 1 1 1 1 1 1 1 1 6511 6564 1 1 38836 38249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7103 7225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 607.3041 *607.3773* C23 H49 N11 O8 20641 20745 67426 65053 38169 38876 32840 31719 32175 32192 32620 32253 45331 45374 20261 21036 41270 51624 29202 29932 20592 2266 21735 21078 40986 41372 83542 84668 28826 27900 56827 55839 17145 18045 23375 24272 34152 32700 29055 28962 29006 28490 43264 41242 52245 48278 27470 26234 20529 20179 12068 14233 28027 28349 14828 15150 18127 18469 13948 13880 31521 32732 23233 23238 30894 30382 11173 11003 50067 51215 45996 45703 16361 17911 16156 15918 45005 45716 52644 51256 16789 16152 14997 14608 21630 22208 16762 16030 12813 13490 607.3773 *607.3778* 607.3778@5.17496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 607.3778 *607.5611* C33 H69 N9 O 6238 6964 7095 6932 7096 7383 6206 6140 6675 6687 6324 6495 1 6925 6850 6588 6290 6440 6088 6176 6622 6616 6730 6753 6547 6303 6765 6759 6816 6507 6230 6013 6081 6816 6300 6870 6196 6577 6959 6356 6302 6268 6507 6420 6149 6184 5582 6084 7002 6813 6207 6087 6754 6632 5554 1 6371 6350 6213 6180 5567 5885 5937 6052 6448 5958 6385 6326 6175 6667 6972 6486 5794 6411 6883 7038 6432 6146 6107 5823 6063 6241 6923 6451 5898 6017 1 6331 5825 5950 607.5611 *607.6532* 607.6532@0.8403449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1683 1 1 1 1 1 1 1 1 1 1 1 1 1931 1 1 1 1 1 1 1 1 1 1 1 1 1 1024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 607.6532 *607.7688* C14 H2 Cl2 O15 S4 1 4051 4183 1 2389 1 4531 2425 4062 1 6105 4551 1 4572 1 1 6767 1 6057 1958 1 1 1 1 1 1 1 2381 5950 4141 1 2588 2317 1 1 4635 4052 1 2169 2024 1 1 4437 1 2280 1 4380 1 1 1 2652 4018 4404 1 6198 1 2844 1 1 4198 4344 4338 1 4083 1 1 1184 2208 2286 2226 1 1 2377 1 3412 1 1 2172 1 3560 1 1577 4153 4128 3876 2046 3900 4053 3940 1 607.7688 *607.7722* 607.7722@0.8251197 1 1 1 1 2126 1 1 2249 1 4348 1 1 4055 1 4359 5914 1 1 1 2069 1 1 1 1 1 1 1 1 1 1 1 2005 2107 4084 1 1 1 1 2134 2002 3924 1 1 4383 1849 4250 1 1 4263 4588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4417 4134 2956 1 1 1 1 3529 1931 1 1 2206 1 1 1 1 3940 2697 1 1 1 1 1 1 1 1 607.7722 *608.3362* 608.3362@6.4621954 1 1 1307 1281 1 1 1 1 1 1 1198 1199 1248 1289 1 1 1 1 1455 1 1 1 1 1 2999 2680 1 1 1 1 6506 6563 1 1 1 1 1 1 1319 1297 1 1 1612 1628 2850 2326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3668 3974 1 1 1034 1028 1 1 7435 6673 2415 2717 1 1 1 1 2420 1929 1 1 1 1 1 1 1 1 1 1 1 1 608.3362 *608.3675* 608.3675@11.211256 1 1 3146 1 1 1 1 1 1 1 3470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3114 1 1 1529 1 1 1 2994 1 1 1 1 1 1 1 1 2680 1 1 2544 1 2648 1 1 1 1 1 1 1 1 1 1 1 1 2404 1 1 608.3675 *608.3701* C33 H48 N6 O5 2715 3234 1 3447 3456 3270 2505 2502 3240 2647 1 3463 3387 3396 3122 2756 3309 3080 3472 2762 3260 2685 2501 3141 3509 3101 2666 2762 3118 2827 2901 2792 3417 3319 2576 2900 2777 2537 1 2737 3677 3302 2868 2735 3536 3031 3223 2343 2550 2651 2563 2248 3345 1 2775 2913 1193 2618 3162 2373 1 2669 2529 2062 3139 2837 2629 2567 2683 1 3236 2671 1 2962 1 2601 2447 2221 2591 2383 2213 2210 2952 2175 2393 2733 2048 1 2092 1988 608.3701 *608.3783* C31 H52 N4 O8 6661 5817 6691 6101 6365 5987 6329 6148 6775 6932 6051 6270 6460 6703 6563 6596 6702 6603 6377 6399 6900 6476 6233 6251 6430 6480 5765 5935 6281 6126 6205 6254 6079 6002 5783 5582 5667 5762 6325 5799 6167 5563 5582 5668 4709 5135 7025 6543 6677 6767 6309 6376 6785 6761 7047 6052 8087 6715 6549 6579 6650 6074 6521 6675 6065 6340 6437 6326 6403 6206 6470 6296 6807 6009 5659 6403 6754 6341 6347 6504 5860 6330 6537 5927 6258 6849 6229 6260 6433 6180 608.3783 *608.8746* C28 H3 N O8 S4 1423 1557 1281 1239 1278 1498 1400 1479 1236 1463 1590 1385 1554 1196 1300 1390 1670 1121 1382 1153 1 1673 1 1464 1182 1395 1281 1587 1206 1215 1382 1256 1546 1162 1 1157 1337 1262 1090 1119 1536 1343 1074 1207 1 1 1377 1269 1232 1547 1287 1246 1134 1343 1325 1521 1182 1412 1246 1405 1143 1416 1126 1147 1 1232 1035 1191 1 1332 1506 1051 1339 1023 1100 1 1 1 1 1406 1159 1120 1055 1567 1 1 1 1 1 1234 608.8746 *609.5431* C32 H67 N9 O2 1 1 1 3041 3790 1 1 1 4159 1 8351 3973 4012 4591 1 4117 1 1 2374 3021 3908 3320 4889 1 1955 1 1 1 5410 4950 1 1175 1253 2650 4526 4885 2591 1 3314 1 5627 1 2959 1200 2758 1 3634 1 2714 1 1 2146 5310 1 1 2308 3471 1 4279 2035 2241 1 1 3104 1 1 3630 7720 1 8721 1 6564 4019 1 2024 1 3055 1 2771 1 3824 3708 1 6615 3217 4645 3552 4271 4353 1 609.5431 *609.5431* 609.5431@14.084901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3941 1 1 1 1 1 2565 1 1 1 1 1 1 1 1 1 1682 1 1 1 1 1 1 1 1 1101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2689 1 1 1 2729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1730 1 1 1 1 609.5431 *609.544* 609.544@13.990223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 609.544 *609.5445* 609.5445@14.15536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1887 1 1 5086 1 1 1 1 1 2289 1 1 1 1 1 1 1 3080 1 3600 1 1 1 1 1 1 1 2693 2622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2675 1 1 1 1486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1982 1 1 1 1 609.5445 *609.5447* 609.5447@14.096528 1 1 1 1 1 1 1 1 1520 3301 1 1 1 1 1 3084 1 1 2852 1 3187 1 1 1 2411 1 5543 1 1 1 1 5084 10369 4481 1252 1 4180 1 6231 1 1 3430 3930 1977 5639 1 3800 1 5195 1 1 1 1 1 1 1 1794 1 3668 1841 1 1 3165 2972 1 4225 1 1 1 1 1 1 1418 4173 3722 1 1 1 1 1 5103 1 1 5932 4231 5957 1 1 1 1 609.5447 *609.559* C40 H71 N3 O 3936 3790 3843 3898 3802 3700 3129 3375 3614 3804 3607 3438 3983 3624 3911 3768 3804 3675 3469 3007 3744 3347 3838 3484 3335 3411 3905 3729 1 3341 3514 3348 3771 3929 3680 3563 3450 3666 3999 3896 3481 3298 3555 3499 3631 3545 3096 3208 3664 3880 3448 3325 3978 1 3320 3200 3443 3696 3842 3637 3239 3225 3329 3336 3387 3200 3762 3372 3506 3506 3820 3482 3392 3317 3874 3831 3505 3574 3321 2943 3323 3453 3670 3589 3620 3302 3229 3360 3593 3435 609.559 *609.5648* 609.5648@0.85000855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 609.5648 *609.668* 609.668@0.8430061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 609.668 *609.7531* C16 Cl2 N2 O10 S5 2911 3350 3622 3445 3794 3638 4057 3821 1 2752 3371 3279 3445 3230 3219 3542 3890 3608 3317 2682 3638 3130 2869 3576 1 3353 3516 3289 3251 2747 3807 3641 2278 3189 1 3979 1 3480 2119 2791 3314 2936 3936 3056 3488 2831 3760 3941 3594 3319 3345 3470 3979 3619 3912 3350 3398 3292 3761 3390 3298 3567 2571 3028 3183 2998 3331 3267 3073 2834 2990 2390 4062 3483 3361 2854 3309 3233 2953 2648 3188 3030 3778 3460 1 2866 2900 2890 3568 3128 609.7531 *609.757* 609.757@0.8240066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1783 1 1 1 1969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 609.757 *609.7611* 609.7611@0.8225054 1996 1 1 1 1 2064 1 1 1 2413 1 1845 1 1 1 1 1 1 1 1 2079 2331 1700 1 1 1747 1 1 1 2254 1 3249 1 1 1 1 1 1 1 1536 1 1713 3454 2058 1856 1 1 1 1777 1 1 1 1565 1 1 1 1664 1 1 1 1747 1 2418 1 1 1833 1793 1 1 1918 1 1 1 1 1 1 1 1 1 1 1 1736 1 1 1 1 2849 1946 1 1 609.7611 *610.5451* 610.5451@14.1337 1 1 1 1496 1 1 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1965 1 610.5451 *611.4071* C35 H49 N9 O 3087 2241 2931 2503 3285 2886 2161 2405 2402 2749 2750 1651 2747 2679 2391 2672 2747 2402 3111 2811 2632 2730 2790 2733 2950 2843 2293 2512 2554 2627 2592 2549 2325 2825 2350 2289 3092 2845 2734 2687 2886 2175 2668 2975 3135 2655 2407 2330 2489 2298 2636 1558 2915 2076 2706 2390 2073 2663 2683 2402 2349 2898 2655 2641 2365 2587 1 2867 2600 1 2437 1832 1878 2956 2459 2330 2638 2073 1987 1 2479 2380 1691 2358 2626 1018 2511 2383 2637 2706 611.4071 *611.4971* C29 H61 N11 O3 46523 45986 44163 45140 47009 42805 44539 44801 44362 44875 44043 45457 45321 44540 1 1 45737 41791 45098 45731 45607 42115 43570 45562 44618 45237 45301 43010 42766 44873 46236 45397 45491 43236 42433 43970 45571 46131 45224 43621 46547 42883 44961 44124 50561 44546 44588 43952 45650 44968 42490 43417 43708 43128 45132 42509 42199 41002 43133 43263 41737 41427 41071 41927 40639 42038 41457 41127 40091 40699 42331 41564 43456 41708 42444 41683 39216 41088 39620 42439 42241 40728 41177 42038 37444 42353 39557 41862 41637 41500 611.4971 *611.5875* C34 H73 N7 O2 1198 2101 1 1627 2358 1 1463 1553 2158 1547 1714 1569 2059 1 2121 2048 1 1 1537 1827 1787 1 1 1574 1 1 2036 1523 1622 1496 1927 1888 1667 1 1701 1919 1541 1611 2023 1876 1639 1654 1819 1557 1875 1 1773 1163 2130 1167 1 1684 1826 1578 1430 1446 1 1 1 1814 1 1 1850 1 1 1 1992 1 1245 1 1919 1864 1548 1323 1 2002 1845 1 1791 1470 1 2044 2177 1956 1 1204 1 1790 1577 1927 611.5875 *611.5894* 611.5894@0.84550357 1 1 2142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1374 1 1 1 1 1 1 1 1 1 611.5894 *611.6587* 611.6587@0.843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 611.6587 *611.7029* 611.7029@0.8310162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 611.7029 *611.7278* 611.7278@0.8405062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1564 1 1 1 1 1 1 1 1 1 1 1 1093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 611.7278 *611.7426* 611.7426@0.8279898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 611.7426 *611.7469* 611.7469@0.8336409 1 1 1533 1 1 1664 1 1 1 1 1 1 3054 1 1 1348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1455 1164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1289 1363 1 1 2578 1 1 1 1 1 1 1 1 1 1 1 1 1514 1 1 1 1 1 1 1221 611.7469 *611.7501* C18 H3 Cl3 O8 S5 2989 3382 2955 1 3170 3109 3183 1 3224 2802 3078 2972 1395 2674 2811 2310 2610 2913 2957 2876 3170 1 2999 2781 2748 3190 1 2411 1 1 2731 2757 1 2294 1 3358 2981 1 2826 2248 2173 2941 2917 1 1 2986 3501 2872 2753 2717 2213 3012 2755 2839 2659 1 2855 2740 2499 2965 2746 2676 2135 2284 2543 2388 2542 2268 2544 1454 2759 2872 3163 2989 2776 2880 2563 2687 2493 2217 2397 3339 2838 2742 2469 1 2167 2665 3124 2503 611.7501 *611.8741* 611.8741@0.807006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 611.8741 *611.909* 611.909@11.69636 1787 1 1 1 1931 1 1 1 1 1 1 1 1 1858 1677 1 1 1 1 1 1304 1 1 1 1 1979 1 1 1 1656 1 1 1 1 1 1 1 1 1770 1 1 1101 1 1786 2030 1 1 1663 1 1724 1535 1 1 1 1 1 1 1 1 1 1 1 1 1 1032 1 1 1 1 1547 1 1 1 1 1 1 1 1 1 1 1154 1 1 1 1 1 1 1 1 1 611.909 *612.4993* 612.4993@14.8860655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 612.4993 *612.6742* 612.6742@0.8419867 1 1 1 1 1 1 1 1 1 1 1 1 1246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 612.6742 *613.5953* 613.5953@0.8439485 3091 1 3236 1 2782 1 1 3158 1 1 3067 1 3393 1 3181 1 2936 1 1 1 1 1 1 1 1 2494 1 3197 1 1 1 3049 2926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2266 1 2427 1 1 2814 1 6468 1 1 1 1 1 1 1 1 1 1 1 1 2734 1 1 1 1 1 1 1877 2983 1 613.5953 *613.6006* 613.6006@0.84320444 1 3061 1 3215 1 3302 2809 1 2901 2986 1 2963 1 3299 1 3061 1 3256 2968 2913 3128 3021 3038 3031 3126 1 3217 1 3239 3035 3151 1 1 3504 2728 2846 2921 3095 3120 2932 1 3005 3203 2954 2976 2830 1 2849 3224 3330 2586 3085 2778 3144 2530 2819 1 2945 2989 3389 1 1 1 3136 3112 1 2634 1 2534 2713 2954 3157 2645 2831 3295 2987 2739 1 3130 6813 1 3231 3573 1 2687 2998 2811 1 1 2783 613.6006 *613.7443* C17 H Cl3 O11 S4 1 1 1219 1 2322 1935 1814 1447 1 1 1412 1282 1715 1470 1 1 1188 1 1 1125 1988 2129 1671 1845 1468 1793 1631 1955 1379 1183 2084 1520 1 1198 1507 2196 1675 1533 1561 1453 1463 1254 1852 1 1334 1 2199 1596 1804 1821 1499 1388 1895 1349 1864 1841 1601 1512 1584 1822 1435 1576 1202 1586 1358 1654 1296 1972 1 1493 1720 1693 1922 1864 1521 1347 1341 1565 1003 1448 1678 1564 1991 1531 1191 1400 1 1 1555 1573 613.7443 *613.7972* 613.7972@0.81734544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2400 1 1 1 1 1 1 1 1 1 2342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2244 1 1 1 1 1 613.7972 *613.8037* C13 H8 Cl2 N2 O12 S5 1 2348 2359 1763 1 2641 1 1 2385 2365 2940 2647 2302 1 1 2701 2804 2236 2684 1 2500 2163 2283 2559 2137 1 1 2197 2513 2255 2279 1 2399 1 2315 2157 1685 1 1670 2078 2101 1 2240 1891 1 2093 1 2923 1 2205 1 1905 1851 2132 1 2287 3926 1 1 2160 1 1 2101 2522 2560 2542 2276 2242 1989 2002 1 2205 1754 2462 2215 2205 2388 2260 2051 2355 2038 2185 1 1 1 1969 2609 1 1 1 613.8037 *614.4483* 614.4483@12.526551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16494 1 1 1 1 1 1 24080 1 1 11439 19543 1 13001 1 1 1 1 1 1 15370 1 1 1 1 1 1 1 1 1 1 1 1 21296 1 1 1 5007 12494 1 1 2498 1 11106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.4483 *614.4483* 614.4483@14.321278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.4483 *614.4487* C30 H54 N12 O2 23073 31020 30437 29848 4292 12103 27426 29460 31262 1 28250 30851 10798 30630 9013 7945 2720 23806 29397 1 31234 22048 6337 24807 25032 11798 1 29138 1 30363 25920 29627 27723 30677 27113 9642 23563 1 28006 29843 29133 1 26422 1 22953 36890 20073 6010 5520 21177 1 18982 13577 1 9482 24126 4975 17725 6359 1 13929 4166 21005 23797 19957 1 22223 18384 1 1 24071 1 1 24524 1406 4407 20908 18986 22169 1 22475 4048 1 23807 23788 24811 21822 8115 17886 10998 614.4487 *614.4491* 614.4491@12.542236 1 1 1 1 24081 1 1 1 1 1 1 1 14627 1 20909 1 1 1 1 1 1 1 1 1 1 1 1 1945 1 1 1 1 1 1 1 1 1 1 1 1 1 28251 1 1 1 1 3808 1 1 3792 1 1 1 1 1 1 2731 1 1 1 1 1 1 1 1 1 1 1 16440 1 1 1 14038 1 1 8803 1 1 1 5836 1 19336 18035 1 1 1 1 1 1 3988 614.4491 *614.4497* 614.4497@12.475943 1 1 1 1 1 11287 1 1 1 23482 1 1 1 1 1 1 1 1 1 27935 1 1 1 1600 1 1 1 1 15847 1 1 1 1 1 1 1 1 26782 1 1 1 1 1 28947 1 1 3267 1 1 1 24475 1 1 6245 6785 1 5841 1 1 24110 1 14419 1 1 1 21717 1 1 7267 8166 1 23495 10500 1 1 1 1 3890 1 17363 1 1 1 1 1 1 1 14782 1 1 614.4497 *614.9487* 614.9487@12.495562 1 1 1 1 9416 1 4856 1 1 1 1 15982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5586 1 1 1 1 1 1 1 1 1 1 2929 1 1 1 1 1 1 1 1 1 1 1 1 5173 1 1 1 1 1 1 1 1 1 1 1 1 1 2476 1 4630 1 1 1 1610 614.9487 *614.9502* C22 H5 N3 O19 11574 6779 15283 16053 6294 8589 10954 17490 15897 16606 17950 1 16698 8287 16138 15941 5646 13850 2860 16428 15896 1904 8862 16603 16602 16301 15612 16013 5232 17328 17111 16833 13823 15955 10580 16542 16654 16444 1 8557 16238 13533 17475 15180 15542 15501 14912 12729 13018 1 13447 11430 12448 11324 6454 12877 5438 2701 12827 12321 3465 3317 12265 12194 1396 5072 11967 13384 12263 2154 12349 13204 11803 13664 13471 12340 12494 11713 11384 13733 12166 11945 11687 9721 12235 7702 13196 10392 11427 3229 614.9502 *614.9503* 614.9503@12.46484 1 10558 1 1 1 7825 1 1 1 1 1 1 1 1 1 1 1 1 13176 1 1 15936 7115 1 1 1 1 1 10555 1 1 1 1 1 5861 1 1 1 1 8192 1 1 1 1 1 1 1 1 1 1 1 1694 1 1 1 1 1199 10492 1 1 5402 1 1 1 7143 7319 1 1 1 4623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2015 1 6527 614.9503 *615.4492* 615.4492@12.474385 1 1 1 1 1 3109 1 1 1 1 1 1 5329 1 1 1 1 1 1 1 1 3277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1918 2038 1 1 1 1 1 1 1 1 1 1 1 1 1 1577 1 1 2241 1 1 3823 1 1 1 1 1 1 1 1 1 3114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1679 1 1 1 1 1 1 1 615.4492 *615.4508* 615.4508@12.513269 1 1 1 1 1 4783 1 1 1 2405 1 1 1 1 1 1 6101 1 1246 1 1 3391 1 1 1 7710 1425 1 1 1 1 1 1 1 1 4449 1 1 1 1 1 1765 1 1 4090 1 1 1 1 1 1 3100 4402 4921 1 1 1 1053 4557 1 1 1 1 1 1 2645 1 1566 1 5668 1 1 1 1 5205 1 1 1 1 1 1 1 3256 1 1 1 1 1 5699 1 615.4508 *615.5954* 615.5954@0.84267825 4064 4277 3981 3903 4173 3631 3384 3544 3493 3517 3583 4004 3558 3877 4200 3750 3981 3972 3345 3736 3848 3343 1 4182 3666 3674 4072 4014 3839 3572 3525 3652 3879 3825 3760 3606 3566 3604 4115 3818 1 6635 3519 3597 3623 3752 3325 3608 4352 4445 3961 3664 4126 3908 3339 3346 3897 3668 3850 3643 3589 3023 3359 3575 3776 3330 3757 1 3570 3589 3799 3745 3484 3595 3811 3863 3850 3552 3221 1 3546 3977 4215 4077 3321 3414 3463 3573 3550 3575 615.5954 *615.6847* 615.6847@0.8370062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 615.6847 *615.6878* 615.6878@0.83908534 1 1 1 1 1 1 1 1 1 1 1 3144 1 1 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 2364 1 1 1 1 1 1 1 2487 1 1 1 1 1973 1 2090 1 1 1 1 1 1 1 1 1 1 1200 1192 2642 1 1 1 1 2383 1 2074 1 1 1 1 1 1 1 1 1 2877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 615.6878 *615.7072* 615.7072@0.84050024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2393 1 1 1398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 615.7072 *615.7881* 615.7881@0.8210055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 615.7881 *615.8007* 615.8007@0.817341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 615.8007 *615.8105* 615.8105@0.8155953 2323 1 1 1377 2138 1991 2000 1 1 1 2171 1 1 1615 1911 1 1716 2020 1 2387 1 1020 1 1596 1629 1 1834 1 1983 2012 2142 1834 1 1 1478 1 1 1 1 1 1367 1 1 1 1 1495 1766 1 1 1 1493 1 1127 1 1 1 1 1 1 1 2219 1 1 1 1623 1 1 1 1784 1122 1 1 1 1 1539 1 1 1 1 1607 1 1803 1 1 1 1 1 1 1 1 615.8105 *616.1951* 616.1951@3.0777204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1378 1670 1146 1670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1487 1932 1 1 1 1 1582 1377 1 1 1 1 1748 1544 1 1 1 1 1 1 1 1 1 1 1 1 1 2019 1 1 1017 1 616.1951 *616.3777* C25 H44 N16 O3 11875 12920 4647 11844 6232 8641 12278 4653 11722 1 9737 5648 12074 4484 3847 5574 3750 8954 12817 7883 8526 5049 7404 4166 11689 1 4321 12441 4861 13329 3119 12800 9593 4367 12560 8687 4585 12402 3143 4202 11225 12366 5433 4763 13762 7271 1 13065 13347 4559 13543 3657 11388 6270 12932 1 5019 5314 4698 4768 6061 5177 12040 13031 7984 12866 5116 11155 1 1 8358 7085 9110 13550 12258 5520 7466 3737 12831 4393 4888 12921 5085 4921 9172 13491 5328 3455 11891 12542 616.3777 *616.3791* C25 H44 N16 O3 + 12.232604 1 1 1 1 3561 3429 1 7712 1 8580 1 4169 1 4787 6332 7205 6531 1 1 4432 3875 7146 4906 8886 1 1 5204 1 8083 1 1253 1 1 5229 1 3669 7962 1 9974 8028 1 1 1 5233 1 5431 13031 1 1 1 1 9822 1 6083 1 8653 6940 7505 8805 1 1 4690 1 1 1 1 7482 1 12492 12898 3820 2309 2250 1 1 3708 4961 5861 1 7874 1 1 7711 7401 1 1 1 9169 1 1 616.3791 *616.6778* 616.6778@0.83634186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1681 1 1 1 1 1 616.6778 *616.6922* 616.6922@0.8340061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 616.6922 *616.8786* C30 H3 N O7 S4 1 1 1 1 3226 7356 1 2553 1 1 1 1 1 4450 3879 1 1 1 2488 1 6821 1 2499 4015 1 3005 4701 1 1 3619 7015 1 1 3734 1 1 1 4610 3343 4952 1 1 2966 3674 4086 2916 1 7494 1 1 6897 1 1 5116 1 4191 1805 3398 2553 1 1 1 6894 7095 7111 1 3425 6807 3811 1 1 3573 1 1 3283 1 2340 1 3816 4289 4735 1 1 1 1 7141 4183 1 1 1 616.8786 *616.8795* C21 H6 Cl3 N O15 7254 6793 7250 6450 4042 1 6417 4703 7400 7137 6748 8035 7012 3169 3219 7353 7075 6942 4179 2800 1 6783 4872 2869 7551 3858 2437 7544 6923 1 1 7202 7602 3471 7959 7099 7539 2528 3396 3167 6883 7487 4633 4175 4496 1 6877 1 7878 7717 1 3754 7886 2474 7377 3342 3961 3961 4705 8013 3972 4258 1 1 1 6816 1 1 3689 7050 7360 3599 6854 7989 3710 4213 4740 7852 3412 3034 2898 6793 7107 8069 6686 1 2677 7425 6402 7771 616.8795 *617.3816* 617.3816@12.228668 1 1 3128 1 2923 1 1 1 1 1 2136 2749 1 1979 3150 1 2554 1 1 1 1 1 1 1 1 3249 2844 1 1 1 2792 1 2063 3416 1 1 1 1 1 1 1 1 1871 2766 1 1 1 1 1 2968 1 1 1249 1 1 1 1 1 1 2952 3076 2667 1 1 1 1 1 1028 1 1 1 2590 1 1 1 3107 1 2999 1 1 2984 1 1 1 1606 1 3297 1 1 1 617.3816 *617.3818* 617.3818@12.197624 1 1 1 1 1 1 1 1 1 1 1089 1 1132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1074 1 617.3818 *617.5911* 617.5911@0.84288704 3034 2918 3028 3305 3080 2987 2588 2684 1 2887 2640 2843 1 2974 3027 3015 2703 1 2465 2581 4624 3059 3171 3107 2949 2940 3106 2882 2724 2741 2858 2962 2916 3045 3238 2646 3146 3157 3268 2971 2438 1 3152 2412 2925 2881 2647 2830 3293 3291 2717 3046 2779 2977 2535 2886 2938 2717 2705 2887 2931 2565 2790 2549 2923 2863 2772 1 2379 2740 3087 2810 2866 2671 2783 2971 2617 2651 2804 2525 2967 2839 2968 2835 2904 2599 2669 2614 2717 2705 617.5911 *617.6779* 617.6779@0.84024507 1 1750 1 1 1 1 1 1699 1 1 1 1 1 2096 1766 1888 1 1 1 1 1 1 1 1 1 1 1972 2295 1 1 1 1 2646 1 1 1 1 1805 1 1 1 1 1 1 1 1 1 2376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2293 1 1470 1 1 1 1 1 617.6779 *617.6913* 617.6913@0.8391686 1 1 1 1 1 1 1525 1 1 1 1 1 1 1 1 1 1 1208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1287 1 1 1 1 1 1 1 1 1 1 1 1484 1 1 1 1 1 1 1 1 1 2377 1 1055 1 1 1 1 1 1 617.6913 *617.7763* 617.7763@0.8255092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1022 1 1 1 1 1 1 1 1 1 1 1 1 1367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 617.7763 *617.7896* 617.7896@0.84200513 1 1 1 1 1 1 1 1 1 1 1 1 2323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1271 1 1 1 1 1 1 1 1 1 1 1 1 1004 1 1 1 1 1 1 1890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1045 1 1 1 1 617.7896 *617.7953* C15 H4 Cl2 N2 O13 S4 2384 1 2087 1716 1 2408 1612 2666 2169 2644 2743 2441 1 1594 1 2475 2383 2357 1 1 1056 1986 1 2039 1 1 2303 2272 2212 2487 2074 2577 2505 2579 2117 1 1 1132 1 1387 2272 1 2069 2371 2096 1 2076 1 1 1204 2519 1 1 1069 2344 2352 1 1 1 2063 1 1 1648 1 1 2079 1 1 1 2066 1 1 2250 2252 2294 1 1 2070 2264 1904 1 1 2411 1444 1 1678 2276 1638 1998 2221 617.7953 *617.8014* 617.8014@0.8150079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 617.8014 *618.2636* 618.2636@5.79435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2967 1 1 1 1 1 1 1 1 2155 1 1 1 1 1 1 1134 2294 1 1 1 1 1 1 3799 1 1 1 1 3569 3482 618.2636 *618.2644* 618.2644@5.6832104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7140 7591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2263 2227 1 1 1 1 1 2672 1 10037 1 1 1 1 1 1 12221 1 1 1 1 1 1 9886 14752 1 1 1 1 1 1 18181 1 1 1 1 1 16197 618.2644 *618.2653* C36 H42 O7 S 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3237 1 1 6907 1 1 1 3787 1117 1346 1157 1318 1 1 1 1 1 1 1 5055 4516 4016 6545 1 1 1 3298 2586 6649 1 1 1 5684 1 1023 1268 10569 11940 1 1 1 2504 2994 15803 1598 2246 1 1 1 1885 1699 1 2806 1674 1 1 1 7911 1 1797 2995 15354 1 1774 2130 1 3958 3636 1 1 10979 1 2303 2399 618.2653 *618.5185* 618.5185@14.146869 1 1 1 1 1 10054 6590 2572 2255 1 1 1 1 1 1 1 3075 1 1 2351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4138 1 1 1 1 1 1 1 1 4236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3897 1 1 1 1 618.5185 *618.6736* 618.6736@0.8420126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 618.6736 *618.6894* 618.6894@0.83600175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 618.6894 *619.4166* 619.4166@13.004838 1 1 1 1 1 1 1597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 619.4166 *619.4275* 619.4275@11.512479 1 1 1 3456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2317 1 1 1 1 1 1 1 1 1 5853 1 1 1 1 1 1 1 1 1 1 1 2956 1 1 1 1 1 1 3288 1 1 1 1 2305 1557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3391 1 1 1 1 1 1 1 1 619.4275 *619.4282* 619.4282@11.43634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6775 1 1 1 1 1 1 1 1 619.4282 *619.4284* 619.4284@11.5443945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2387 1 1 1 5529 1 6069 1 1 1 1 1 1 1 1 1 3221 1 1 5348 1 1 1 1 3540 1 1 2906 1 1 1 1 1 1 1 1 1 2844 1 2491 1 1885 1 1 1 1 1 3911 1 1 1 1 4568 1 1 1 1 1 1 1 4117 1 1 1 1 3715 1 1 1 1 1 1 3526 1 1 619.4284 *619.4296* C32 H61 N O10 137689 153290 144795 142413 154376 142993 149175 139081 141302 140637 138307 139053 138650 139449 143184 141055 135207 132270 137183 136623 135287 136297 135894 136405 131902 131918 133010 131330 139047 128750 140884 131434 131998 133471 132355 131633 125060 130219 128182 125396 133459 133292 132673 127988 129173 116009 101887 98439 93055 91473 90277 89204 88412 88386 86442 84717 83008 83961 82414 88795 86369 81184 82126 84032 87950 83289 87978 83862 84561 79804 75846 80950 80599 83823 87299 78885 79310 82690 80447 83523 81464 75520 82458 79562 82646 82180 74180 78703 80152 79322 619.4296 *619.4341* 619.4341@14.650551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 619.4341 *619.5126* 619.5126@14.153451 1 1 1 1 1 1 1 2880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 619.5126 *619.5835* C41 H78 Cl N 1999 1909 1661 1 1 2038 1732 1776 1674 1 1781 1 1 1746 1551 1675 2370 1 1 1 1 1792 1 1 1595 2040 1937 1 1 1 1466 1899 1580 2267 1 1 1821 1 1 1825 1507 1871 2073 1391 1944 1910 1648 1763 1861 1 1952 1778 2078 2035 1572 1780 1890 1916 1 1 1433 1 1558 1873 2020 1950 1769 1792 1929 1703 1833 1560 1 1565 1924 1 1775 1738 1845 1 1899 1542 1945 1636 1770 1 1932 1476 1 1598 619.5835 *619.5883* 619.5883@0.8433354 1 1 1 1 1668 1 1 1 1 1670 1 1838 1 1 1 1 1 1656 1756 1 1 1 1 1688 1 1 1 1 1461 1999 1 1 1 1 1847 2086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1834 1972 1 1855 1 1 1 1 1 1 1 1 1 1 1684 1 1 1800 1 1 1 1806 1 1 1 1 1 1929 1 1 1711 1 619.5883 *619.5986* 619.5986@0.8429959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 619.5986 *619.6895* 619.6895@0.83850235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21576 1 1 1 1 19184 1 1 3382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4300 1 1 1 1 4223 1 1 1 1 1 1 1 1 1 1 1 1 619.6895 *619.7047* 619.7047@0.83351433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1268 1 1 1 1 1 1 1 619.7047 *619.7739* 619.7739@0.85300785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 619.7739 *619.7877* 619.7877@0.8210067 1 1 1 1 1 2209 1 1 1 1 1 1 1 1 1 1 1 1 2018 1 1 1 1 1 1 1 1 1 1 2008 1945 1 1 1 2259 1 1437 1 1700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2278 1917 1 1 1 1 1 1 1 1 1 1 1984 1 1 1 1 1 1 1369 1 1 1 1 1 1 1 1 619.7877 *619.7924* 619.7924@0.81871444 1664 1 1 1 1547 1 2557 1 1 1 2212 2263 1 1 1 1 1 1 1 1636 2092 1 1 1 3205 1 1 1 1216 1 1 1 2233 1 1 1 1 2298 1 1 1 1 1 2161 1 1462 1 1 1 1370 1 1 1 1 1 1711 1 1 1 2155 1 1 1 1 1 1 1 1358 1 2023 1 1 1 1 1 1 1 1 1 1107 2221 1 1585 1 1 1 1 1 1 1 619.7924 *620.3848* C26 H52 N8 O9 1136 1249 14543 13094 3025 2767 1768 1652 1545 1894 3084 2524 3608 3410 1 1310 1325 1516 1668 2075 1534 1549 1 1 5751 6413 1469 1 1 1108 7741 7291 1 1021 1315 1056 3100 3487 1622 1182 1429 1 2651 2747 7234 7023 1887 2276 1338 1 1 1 2076 2013 1 1 1121 1315 1005 1 1188 1292 1404 1408 1614 1899 1 1 7459 7773 6231 5750 1 1 1 1 5827 5419 1859 1575 1 1 1 1 1402 1 1 1 1 1 620.3848 *620.4317* 620.4317@11.423591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4654 1 1 1 1 1 1 1 1 1 1 1 3175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 620.4317 *620.8873* 620.8873@6.2600923 1 1 7861 7298 1367 1264 1207 1 1 1 1686 1017 1415 1 1 1 1 1 1182 1136 1 1 1 1 2984 2826 1 1 1 1 3681 4034 1 1 1 1 1456 1689 1 1 1 1 1415 1499 3736 3516 1075 1283 1 1 1 1 1193 1 1 1 1 1 1 1 1 1 1 1 1114 1216 1 1 3909 4381 3133 3473 1 1 1 1 2862 2651 1149 1 1 1 1 1 1 1 1 1 1 1 620.8873 *621.0193* 621.0193@6.004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 621.0193 *621.02* 621.02@6.057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 621.02 *621.2837* 621.2837@4.2534842 1 1 1 1 1 1 1 1 1 1 1 1 9468 9093 1 1 40466 38674 1 1 1 1 1 1 1 1 1 1 1115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6370 6325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1594 1702 621.2837 *621.3569* C39 H47 N3 O4 1434 2094 3490 3550 2499 2890 1980 2368 2169 2142 2860 3323 5152 4756 2101 1493 16032 15399 2191 2105 2473 2105 1592 1637 2277 2546 2975 2919 2803 2431 2393 2444 1143 1 1679 1567 1743 2179 1953 2093 1565 1735 4059 4173 2124 2059 1512 1689 1624 1402 1 1 1241 1666 1 1 1594 1541 1 1 2784 2687 1223 1207 1169 1372 1 1 2627 2728 2482 2336 1062 1034 1 1047 1831 2331 4112 4137 1044 1136 1 1060 1777 1783 1186 1 1117 1 621.3569 *621.4348* 621.4348@11.37364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 621.4348 *621.6108* 621.6108@0.8434287 1 1 1868 1 1 1 1 1 1534 2344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1584 1541 1 1 1 1 1 1 1287 1 1 1 1 1 1486 1 1 1 1 1750 1 1 1 1 1 1 1 1686 1 1 1 1 1 1 1 1 1 1 1 1361 1605 1 1 1372 1 1 1 1 1067 1556 1119 1 1 1 1218 1500 1 1 1538 1 1701 1 1 1 1 621.6108 *621.6126* 621.6126@0.84252155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1562 1849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1719 1 1 621.6126 *621.6166* C41 H83 N S 1738 1486 1 1569 2418 1527 1 1 1 1 1349 1 1 1457 1921 1543 1 2148 1 1696 2078 1 1794 1622 1319 1 1 1329 1551 1 1 1428 1820 1 1880 1508 1967 1 1725 1 2021 1658 1 1407 1 1693 1 1510 1 2093 3008 1 1 1813 1 1447 1 1306 1 1810 1540 1 1664 1756 1 1 1 1226 1 1 1671 1702 1605 1 1 1 1800 1793 1767 1 1 1 1 1 1580 1 1551 1 1278 1 621.6166 *621.638* 621.638@0.83751845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 621.638 *621.6462* 621.6462@0.84000766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 621.6462 *621.7622* 621.7622@0.82700104 1 1 1 1 1 1 1 1 1 1 1 1370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1327 1 1 1 1328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 621.7622 *621.7788* 621.7788@0.82014304 1 1 1 1 1 1 1 1365 1 1428 1 1 1 1 1 1 1 1 1 1063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1252 1 1 1 1 1 1 1 1 1 1 1 1140 1 1 1 1 1 1828 1 1 1 1 1 1 1 1 1 1 1 1499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 621.7788 *621.7925* 621.7925@0.81700546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 621.7925 *622.4455* 622.4455@14.402112 1 1 1 1 1 1 1 1 1 1 1 1 55537 1 2058 1 1 1 1 1 1 1 1791 1 1 1 1 1 1 1 1 1 1 1 4192 1 1 1 1 1 1 1 1932 1 1 8109 1 1 1 1 1 1 1 1 1 1 3698 1 1 1 1 1 1 1 1 44514 1 1 46227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43106 1 1 1 622.4455 *622.4462* C22 H54 N16 O5 53249 51974 49141 50584 52289 52624 54491 53468 56758 51463 52599 52833 1 54534 51222 50693 52552 49109 53126 53183 54002 54091 50261 50981 54060 54482 49741 49148 52289 51793 51982 50666 53135 48655 49880 51336 53432 53292 50737 50096 52954 44884 54749 53996 63506 44144 47196 45651 46364 45558 43424 45582 45591 44012 44644 42325 37681 46177 46643 42117 40334 43579 47917 43687 43976 1 47545 43714 1 47806 42412 43867 42960 43596 43681 44458 45821 43783 44678 45716 44661 44833 45158 42046 44594 44035 1 48127 44315 44028 622.4462 *622.4467* 622.4467@14.486988 1 2729 1 1 1 1 1 1 1 1 2746 1 1 1 1 6134 1 1 2234 1 1 1 1202 1 1 1 1 1 1 1 1 4346 1 1 1 1 1 1 1 1 1 1 1703 1 1 1 1 1 1376 1 1812 1 1 1 1 1 3083 1 1 1 1 1 1 2935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1630 2085 1 1 1 622.4467 *622.6868* 622.6868@0.8390007 1 1 1 1 1 1 1 1 1 1 1 1369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 622.6868 *622.9463* 622.9463@14.48973 1 1 1 1 1 1 2123 1 1 1 1 1 1 1 1 1117 1 1 1 1 1 1 3993 1 1 1304 1 1 1 1 3600 1 1 1 1518 1 1 1 1 1 1 3053 1 1074 1 1 1 1 1572 1 1 1 1 1 1302 1 2159 1 1 1 1 1 1 1 1 1 1 1 1 5790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 622.9463 *622.9478* C22 H9 N O19 S 30691 32357 33732 33521 30342 31022 1 33454 31615 1 30034 32709 1 1 32696 31947 1 30422 30147 30928 33674 32676 4406 1 33037 30738 33010 34572 32417 35785 30348 31283 32006 32809 1 1 31310 1 30554 32646 31633 31533 1 1 1 29084 28476 28231 24993 1 1 1 26902 1 26828 27582 22693 26721 28184 26093 26706 26882 27600 27384 1 26922 27165 1 25453 22735 25202 1 27292 1 1 28189 1 26520 27225 28239 1 1 27167 27252 1 27337 27763 27844 27708 24964 622.9478 *622.9481* 622.9481@14.342235 1 1 1 1 1 1 34115 1 1 31276 1 1 33571 32874 1 1 30214 1 1 1 1 1 26250 30296 1 1 1 1 1 1 1 1 1 1 31590 31625 1 31345 1 1 1 1 32349 29234 39105 1 1 1 1 29589 26264 30454 1 27764 1 1827 4198 1299 1 1 1 1 1 1 26744 1292 1 26773 1 1 1 27782 1 27778 26632 1 27305 1 1 1 24100 26599 1 1 25670 1 1 1 1 1 622.9481 *623.4494* 623.4494@14.410417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1287 1 1 1 1 1 1 1 1453 1 1 2131 1 1 1 1 1 1 1 1 1 1 1 1 1 2328 1 1700 1 1 1 1 1 1 1 1 1296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 623.4494 *623.6248* Cer(d18:0/22:0) 3536 3410 3839 4143 3587 4304 3419 3580 3470 8287 3164 3187 3361 1 4987 3663 3452 3544 3380 3756 8145 3713 3933 3727 3124 3545 3210 3681 3843 3746 3376 2876 3175 3992 4310 9226 3621 3534 3439 3404 3558 3116 3623 3610 3535 7911 3405 3012 3862 3805 3357 3613 3921 4575 3654 3311 3599 3503 3348 3791 1 3630 3429 3032 4613 3312 8103 7927 3334 3050 8591 3506 3246 3391 1 7653 3042 1 3540 3597 11260 3353 8466 3349 2857 7593 3342 7481 10950 2875 623.6248 *623.835* C19 H7 Cl3 N2 O10 S3 1 2069 1 1 2033 1 2027 1 1 1 2072 1957 1 2147 1712 2034 1 1 1 1 1 1935 2170 1 2023 1 1969 1 1 1774 1688 1512 1 1 1 1 1 1 1671 1 2122 1 1833 1 1 1 1697 1 1403 1 1877 1722 1 1 1 1 1935 1807 1 1239 1 1767 1 1 1 1764 1 1 1 1545 1784 1 1 1 1 1836 1 1 1403 1646 1850 1 1484 1621 1 1 1917 1 1901 1 623.835 *623.9514* 623.9514@14.338661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 623.9514 *624.6968* 624.6968@0.8380105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 624.6968 *625.479* 625.479@14.115762 1 1 1 1 1 1 1 1 1 1323 1854 1 1260 1062 1067 1459 1130 1 1 1 1 1 1 1 1273 1 1215 1643 1 1 1200 1 1013 1455 1287 1358 1 1 1 1 1131 1 1307 1 1536 1 1 1 1 1084 1204 1 1 1600 1 1 1330 1 1 1 1 1 1206 1 1 1 1 1279 1 1 1 1 1 1 1017 1 1028 1 1 1 1339 1 1 1 1 1 1 1 1 1 625.479 *625.6246* C37 H79 N5 O2 1 3841 4052 1 8687 4326 3908 3980 7942 1 1 4573 8509 4370 4238 7747 4509 4399 4064 4674 1 4181 4055 4616 3900 3647 1 4318 7872 7857 3848 1 3918 4147 3904 1 4524 3753 9172 3906 8668 7263 4375 4546 4245 1 3824 4291 4775 4067 4261 3880 8477 4330 3867 3745 4414 4153 4101 4407 4366 3140 6756 3906 4089 3744 1 1 4091 7033 1 5033 4567 4549 7325 1 7378 3636 4852 3706 1 4717 1 7969 3859 1 3729 1 1 7378 625.6246 *626.236* 626.236@4.257612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2375 2837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 626.236 *627.1879* C35 H37 N3 S4 5185 1 5297 1 5949 3029 5788 1 6106 1 1 5723 1 4949 5769 5925 1 5574 5677 5524 5679 5248 1 5055 5532 5724 1 5068 1 5189 1 5540 5126 4761 5214 5378 5475 5345 1 5584 1 2403 1 1 2861 5557 5551 1 5570 4891 5078 4161 5139 4809 2543 4780 1122 1 5238 5140 1 1 1 1 1 1 4669 5269 5113 5197 4667 4638 4382 4755 4854 1 2467 4977 4703 5277 4761 5024 1 4750 5363 3941 1 4879 1 4714 627.1879 *627.1885* 627.1885@14.55085 1 5183 1 5988 1 1 1 5223 1 5650 5520 1 4968 1 1 1 4968 1 1 1 1 1 4996 1 1 1 3909 1 5855 1 5492 1 1 1 1 1 1 1 2587 1 5011 1 5232 4998 1 1 1 5189 1 1 1 1 1 1 1 1 1856 4490 1 1 4953 4965 4873 5021 4449 3095 1 1 1 1 1 1 1 1 1 5404 1 1 1 1 1 1 4939 1 1 1 4840 1 4942 1 627.1885 *627.4919* C37 H65 N5 O S 5445 5077 5505 5177 5254 5259 4805 5530 4859 4902 5086 5366 5039 4633 5641 5276 5157 5016 5616 5423 5133 4776 5277 4628 4853 5425 5094 4662 4967 5380 5038 5216 4916 5065 4828 5431 4770 5140 3386 4844 5115 4955 4977 5233 5331 4784 4797 4821 4959 4949 5018 4431 4887 4710 4767 4447 4358 5243 4740 5001 4838 4698 4455 4294 3752 4618 4312 4517 4549 4552 4563 4756 4783 4436 4498 4335 4988 4066 4549 4649 4307 4191 4373 4042 4482 4662 4208 3881 4140 4221 627.4919 *627.4922* 627.4922@13.741251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 627.4922 *627.6138* 627.6138@0.8439854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 627.6138 *627.6206* C39 H82 Cl N3 3223 6074 3316 3264 1 6073 3405 2978 1 3002 2748 2772 1 8438 3609 1 3550 3370 3092 6099 3266 5549 3433 6312 1 5441 3698 1 1 1 3399 3240 3515 4921 19187 3376 3092 3138 1 3084 1 1 3550 3023 5286 2965 2942 3130 3726 4651 3081 3116 1 3267 2927 3026 3225 4061 3135 3394 2477 3023 1 3131 3059 3060 2962 3022 3680 1 3066 2884 2774 3273 1 3539 1 5763 3345 3198 1 2792 6129 1 3137 3254 3167 3259 1 1 627.6206 *627.7136* 627.7136@0.82898283 1 1 1 1181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 627.7136 *627.8203* C28 H Cl O8 S4 2060 1405 1510 1466 1 1730 1901 1452 1492 1975 1692 1 1 1897 2129 1331 1719 1654 1414 1955 1498 1 1 1263 1907 1455 1449 1435 1 1779 1905 1496 1 1252 1 1200 1 1 1646 1 1906 1 1 1446 1270 1542 1 1518 1140 1 1 1574 1432 1 1599 1916 1438 1 1658 1448 1498 1438 1341 1253 1681 1351 1 1387 1831 1 1399 1166 1 1526 1415 1621 1 1428 1347 1527 1344 1267 1417 1 1487 1498 1605 1 1 1391 627.8203 *628.1863* 628.1863@14.553903 1 1 1 1 1 1661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2589 1 1 1276 1 1 1608 1 1 1 1 1 1 1 1 1 1382 1 1302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2627 1 1 1 1 1 1 1 1 1 1 1 1 1 628.1863 *628.29* C20 H36 N16 O8 2246 1634 1791 2884 1951 1 1987 2608 2862 2113 2084 2354 2089 2635 2830 1790 1921 2502 2598 2315 2698 2792 2429 2653 2323 1833 2307 2003 2554 2523 1847 2197 2630 2523 2489 1870 2373 2119 2802 2616 2144 2389 1856 2460 2769 2278 2186 2582 2329 2473 2030 2774 2091 2120 2589 2074 2217 2697 3021 2219 2021 2076 2528 2158 2364 2133 2461 1859 1919 1739 1774 1950 2061 2619 2181 2490 2006 1876 2817 2373 2522 2599 2252 2570 1997 1948 2419 2196 1978 2567 628.29 *628.6494* 628.6494@0.8390044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 628.6494 *628.7905* C22 H6 Cl3 N O5 S5 1271 1462 1131 1278 1094 1296 1359 1072 1 1145 1184 1099 1213 1277 1223 1139 1279 1201 1340 1375 1224 1159 1281 1282 1225 1275 1218 1099 1330 1305 1261 1 1137 1512 1154 1478 1 1256 1538 1167 1256 1010 1463 1461 1117 1144 1286 1411 1290 1151 1211 1160 1234 1200 1299 1554 1115 1074 1443 1216 1 1352 1358 1573 1398 1312 1346 1161 1389 1350 1590 1226 1 1308 1521 1204 1255 1283 1348 1184 1265 1110 1225 1255 1560 1118 1298 1296 1268 1173 628.7905 *628.7959* 628.7959@10.854514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 628.7959 *629.1827* 629.1827@14.544867 1 1 1 1 1 1219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 629.1827 *629.6199* C41 H79 N3 O 2727 1 2332 2177 2180 1 2096 2277 1947 2745 2285 1927 2244 1 2666 2437 2079 2090 2208 1 2267 1 2418 1 2023 1 1 2270 2315 2729 2039 2511 1 1 1 1 1 1979 2447 2392 2664 2776 1 2360 1 1807 1749 1977 2576 2697 2469 2095 2501 2466 1952 1 2083 2362 2167 2323 2139 2576 1850 1 2590 2254 1988 1996 2060 2241 1814 2127 2275 2311 1 2476 2051 1 1633 2297 1752 1979 1 2121 2086 2151 1 1 2313 2302 629.6199 *629.6254* 629.6254@0.8415054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2236 1 1 1 1 1 1 1 1 1 1 2685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 629.6254 *629.8117* 629.8117@0.81501013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 629.8117 *629.815* 629.815@0.8138789 1 1 1 1 1 1 1223 1225 1 1 1 1 1 1 1 1 1 1 1152 1 1 1 1 1 1119 1 1 1111 1 1 1 1005 1 1 1 1 1 1 1 1 1 1210 1 1 1 1022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 629.815 *630.3852* C32 H46 N12 O2 3598 3326 3586 3818 3179 3320 3425 3526 3359 3549 3497 3980 3208 3385 3867 3601 3321 3330 3342 3561 3687 3424 3572 3696 3334 3349 2896 2881 3370 3486 3623 2869 3958 3529 2852 2814 3494 3341 3350 2995 3428 3510 3282 3356 3505 3539 3431 3637 3254 3319 3442 3733 3587 3220 3732 3663 3026 3664 3681 3187 3433 3564 3387 3378 3591 3353 3259 2607 3055 3243 3237 2996 2763 3545 3357 3596 3217 2935 2781 3584 3134 3129 2833 2942 2633 3370 2901 3771 2924 3296 630.3852 *630.6451* 630.6451@0.8403438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9294 1 1 1 1 1 1 1 1 1 7921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 630.6451 *630.887* C18 H8 Cl3 N9 O5 S3 2018 1918 1923 1742 1867 1850 2008 2103 1660 2121 2394 2228 2283 1886 2135 1928 2152 2011 2181 2056 2182 1792 2229 1985 2030 2010 2041 1919 2088 1938 1903 2235 2193 1903 1965 1999 1759 1785 1741 2037 2041 1854 1792 2115 2175 1806 2018 1987 1601 1702 1849 1929 1883 1890 2211 1801 1717 1575 1985 1507 1989 1905 1 1705 2019 1734 1972 1804 1613 2243 2278 1653 1851 1855 1682 1839 2217 1558 1713 1783 1384 1833 1640 1927 1840 1369 1969 2057 1921 1511 630.887 *631.6472* 631.6472@0.84018916 2818 18414 13014 2369 17142 9179 17758 2435 3027 1 2238 2092 18714 1 20161 16797 3751 3196 12361 6953 20829 18021 3156 13675 16923 17389 17235 2728 13296 17102 16689 16383 17338 2587 1 8838 10080 19018 19256 17315 16337 12606 3127 18021 12986 8134 2692 1 18846 17411 16877 2086 9181 8388 7190 17286 13098 2230 18340 17935 15879 17344 18149 18938 20811 2433 7913 1 16633 16961 8084 16356 12954 2361 2258 13605 8756 16456 4124 17052 1979 1 4102 20238 16784 8011 13000 1 1 1 631.6472 *631.6543* 631.6543@0.83851767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18045 1 16771 631.6543 *633.4203* 633.4203@11.673202 1 1 1 1 1901 1 1 1685 1 1861 1 1 1 1 1420 1 1 1 1329 1 1 1 1 2023 1 1 1803 1528 1997 1855 1 1 1 1437 1 1975 1395 1573 1518 1738 1 1 1745 1 1827 1966 1 1927 1 1 1 1 1297 1 1435 1 1 1 1 1 1 1 1 1 1 1 1 1596 1578 1 1 1 1 1 1 1724 2035 1 1 1 1 1403 1 1 1 1 1880 1 1 1752 633.4203 *633.4436* C38 H59 N5 O S 16013 1 1 1127 2190 1630 18146 1 16696 1467 1 1 4979 2108 16775 1 1 1 16253 1 1 1 15795 1 1 1 1473 1 1 15018 1 1 1 10099 1 2536 1 1769 1 1 1313 1471 1 15433 1 1 14810 1 13432 1 1 1 1 1 1 12159 7220 1 12509 1 10789 10543 11502 1 12324 1 11728 1 1 1 1 1 11542 11382 10515 10595 10635 1 1 1 10946 1 10344 1 10817 1 1 1 11321 6063 633.4436 *633.4443* C33 H63 N O10 1 18082 17790 16793 17907 16126 1 16591 1 17122 17884 16234 6354 18077 1 16232 15281 15677 1 17088 15574 15296 1 17400 14900 16808 16703 16159 15045 1 15782 15440 10322 6136 16068 8434 14612 15266 13902 13879 15398 16083 14470 1 14571 15754 1 12685 1 13740 14258 13648 13336 12731 14190 1 2298 11635 1 12573 1 1 1 12240 1 12314 1 11555 10580 11372 11270 11152 1 1 1 1 1 11187 11648 11293 1 11058 1 10954 1 11391 10856 10336 1 2502 633.4443 *633.5678* 633.5678@14.144283 1 1 1 2732 1 1 1 1 1 1 1 1 1 1 1 1078 1 1 1 1 1 1 1 1 1879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2715 1 3519 1 2811 1 1 1 1 1 1 1 1 1 2798 1 1 1 1 633.5678 *633.6525* 633.6525@0.840002 1 1 1 10758 1 1 1 15088 10714 13832 10062 13973 1 16405 1 1 14563 14532 1 1 1 1 17882 1 1 1 1 1 1 1 1 1 1 14471 1 1 1 1 1 1 1 1 14951 1 1 1 4882 14416 1 1 1 14619 1 1 1 1 1 14336 1 1 1 1 1 1 1 14438 1 14606 1 1 1 1 1 13483 16895 1 1 1 1 1 12783 15321 15610 1 1 1 1 1 4210 1 633.6525 *633.8603* 633.8603@0.8085021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1318 1 1550 1 1 1 1 1162 1 1 1 1 1 1 1 1 1 1 1256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 633.8603 *634.4482* 634.4482@12.065539 1 1 1 1 1 1 1 1 1 1 1 1 4823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3339 1 1 4247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 634.4482 *634.4504* 634.4504@12.046989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3027 634.4504 *634.4947* 634.4947@14.135012 1 1 1 1 1 2920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 634.4947 *634.6745* 634.6745@0.8370083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 634.6745 *635.3357* 635.3357@5.168927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3675 3522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 635.3357 *635.3709* 635.3709@5.7591968 1 1 1064 1403 1 1 1 1156 1 1 1 1 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1242 1270 1 1 1 1 1 1 1 1 1 1 1 1 635.3709 *635.39* C33 H57 N5 O3 S2 4228 4238 4579 4202 4301 4126 4060 3933 3931 4397 3883 3665 4529 3879 3859 4297 4074 4063 4372 4479 3762 4055 3708 3929 4123 3942 4108 4025 4510 4320 4379 4462 4124 4149 4280 4150 3822 4490 4105 4056 4345 4111 4247 4085 3026 2282 2233 2358 2202 2358 2768 1892 2567 2678 2479 2574 2411 2467 2859 2565 2283 2715 2360 2806 3335 3242 2488 2599 2917 2819 2249 2633 2781 2917 2685 2527 2749 2963 2429 2588 2591 2799 2388 2120 2618 2457 3072 2458 2908 2263 635.39 *635.4672* 635.4672@14.083076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 635.4672 *635.4725* 635.4725@14.051611 1 1 1 1 1 1 1 2226 2215 1 1 1 1331 1 1 1 2658 1 1 1 1 1 1 1 1 1 1 1097 1 1 1401 1 1 1 1 1 1 1 1 1 1 1 1 3105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1634 1 1 1 1 1 1 1 1 1 1 1 1 1 1819 1 1 1 1 1343 1 1 1 1 1 1 635.4725 *635.4862* 635.4862@14.176472 1 1 1 1 1 1 1 1075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 635.4862 *635.6495* 635.6495@0.84030074 13115 1 1 1 1 12569 1 1 1 1 1 1 1 1 1 1 1 1 1 9331 1 1 1 1 1 1 1 11842 1 1 1 1 1 1 1 13640 5079 1 1 1 1 1 1 1 1 8961 9589 1 1 1 1 1 12633 12739 11522 1 1 1 1 1 1 1 1 1 1 1 11024 1 1 1 8370 1 1 1 1 1 12737 1 9363 1 1 1 1 1 1 9960 1 1 11948 1 635.6495 *636.2899* 636.2899@3.8325284 1 1 1 1 1 1 1 1 1 1 1 1 1785 1163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.2899 *636.2978* C26 H40 N10 O9 37978 34390 35158 36135 37973 35598 36222 34762 37726 36409 35338 33677 34871 34835 36327 35790 34622 37655 33808 34801 36910 35050 36451 37504 36313 36844 34526 34657 35696 34185 36288 33274 34932 35889 34621 35134 34337 34176 33804 37791 35217 34304 32011 34561 37109 36277 33587 31075 32658 32331 31399 32476 31842 31514 19213 31005 31019 33282 30538 31409 31680 30046 32174 30977 30455 30949 30582 29429 29637 29132 31986 30227 31174 31514 30010 29903 29039 29096 29614 31789 31681 32512 29554 30497 29515 31522 30570 29650 30151 29996 636.2978 *636.2979* 636.2979@14.138505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.2979 *636.461* 636.461@12.340827 1 1 1 1 19250 1 24848 1 1 11098 1825 24574 1 22502 13295 1 1 11545 1 11386 1 2077 1 14613 1077 1 25323 1 1 1 19319 1 1 25975 1 1 1 21670 1 1 1 1 1 1 10759 1 1 1 20437 19152 19884 15349 1 1 1 13480 3997 1 1 1 1 1 1 1 1 15207 1 1 16169 1 1 1 1 1 1 1 1 20437 5303 7513 1 1 19021 20764 1 1 4969 19994 1 1 636.461 *636.4615* C24 H52 N20 O 24317 26291 1 25806 1 1 1 1 1 8119 13392 1 1 1 4573 23653 1 7463 1 8313 25021 11256 23839 5345 8499 26880 1 1 25130 1 1 1 1 1 26427 25662 25963 1 1 1 1 1 1 24398 1 1 22141 1 1 1 1 1 1 20325 2027 1 5157 19805 19836 19603 11553 1 1 1 19661 1 1 6877 1 1 1 12732 1 20467 1538 21308 1 1 1 1 6491 1 1 1 1 3823 13109 1 19557 12695 636.4615 *636.4616* 636.4616@12.300036 1 1 1 1 1 1 1 1 1 1 2396 1 1 1 4935 1 1 1 1 1 1 5696 1 4799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8357 1 1 1 1 1 1 1 1 1 1 1 1283 1 1 1 1 1 1 1 1 1 1 9685 1 1 1 1 1 1 1 1 1 1 1 4642 1 1 1 1 1 1 1 1 1 1 636.4616 *636.4621* 636.4621@12.341017 1 1 24292 1 5732 1 1 1 19314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8143 1 1 1 1 26564 1 1 1 1 1 1 1 1 1 1 1 25352 17336 1 1 1 1 4783 1 1 1 1 17594 1 14475 1 3404 1 1 1 1 1 1 15833 1 1 1 1 1 1 1 1 10201 1 8229 1 20528 1 1 1 8357 18392 1 1 12875 17007 1 1 1 1 636.4621 *636.4624* 636.4624@12.415942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7803 1 1 1 1 1 8862 1 2542 1 1 1 6825 1 1 1 1 1 636.4624 *636.9609* 636.9609@12.346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.9609 *636.9616* 636.9616@12.431216 1 1 1 1586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.9616 *636.9619* 636.9619@12.321452 1 1 1 1 1 13193 1 1 1 1 1 1 7071 10964 1 8574 1 1 1 1 1 1 13682 1 5551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1110 1 3975 6710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3854 636.9619 *636.9634* C19 H7 N7 O17 S 12574 1 14876 6843 5502 1219 1 14162 14017 13769 1 12286 6323 1 14704 6259 10824 12288 11420 12948 4632 14769 1 13666 1 11880 14779 1 5336 12883 14391 1 1 13502 1 14946 13220 13701 1 13079 13625 6313 1 1 13633 17113 12524 10942 1 6714 1 11215 10587 9284 1 10836 1216 9767 7129 3786 9064 4148 9050 11392 8284 1 10278 1 10292 1 1 1 11366 1 10784 1 10629 1 10990 1 9801 1 10436 1 10571 1 10284 4138 1 1 636.9634 *636.9638* 636.9638@12.340122 1 10201 1 3946 1 1 14452 1 1 1 1 1 1 1 1 1 1 1 1 1 9519 1 1 1 8850 1 1 1 7515 1 1 13327 1 1 1 1 1 1 1 1 1 7082 1 1 1 1 1 1 1 2609 1 1 1 2008 9221 1 1638 1 1 1 1 5668 1 1 1 1 1 1 1 1 1 1 1 1 1 9901 1 1 1 1 1 11146 1 1 1 4145 1 4250 9784 1 636.9638 *637.371* C32 H47 N9 O5 2275 1920 2067 2220 2028 2273 1925 2544 2130 2222 2290 2610 2317 2380 2365 1863 2303 2263 2424 2164 2107 1 2325 1521 2506 2365 2190 1726 2482 1932 2640 2229 2477 2270 2588 2432 2377 2539 2565 2505 2911 2362 2422 2628 1814 1 1023 1497 1097 1002 1 1396 1 1051 1603 1541 1522 1062 1 1366 1406 1 1138 1568 1126 1 1018 1820 1651 1798 1464 1292 1674 1294 1346 1567 1744 1641 1977 1321 1689 1280 1647 1600 1836 1839 1884 1378 1522 1810 637.371 *637.3751* 637.3751@5.481955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.3751 *637.464* 637.464@12.325582 1 1 1320 1 1 3673 1 1 1 7022 2268 1 3973 1 2455 1 1 1 1 2229 1 5038 1 1 6469 1 1 3845 1 1 1 3447 1 1 1 1 1 1 1 1 1 1 1 1 4627 1 1 4995 1 1 1196 1291 1 1 1 1 1 1 1 1 1 1402 1785 3187 1 2224 2760 1064 1 1 1 2830 1960 1 1 1 1 1 5429 1 1 1 1 1 1 1 1 1 1 1 637.464 *637.4641* 637.4641@12.3832 1 1 1 1 1 2636 1 1 7107 1 4268 1 1501 1985 1 1 1 1 1 1 1 1 1 1 1 1 1 1847 1 1 1 2638 1 1 1 1 1 1 1 1742 1 1 1 1 2235 1 1 1 1 2828 1 1203 1 1 1 1 1 1 1 1 1 2927 1 1 1 1 2041 1760 2167 1 2382 2169 1 1 1091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.4641 *637.4662* 637.4662@12.388878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.4662 *637.647* 637.647@0.84053355 1 1 10824 6818 1 1 1 1 3337 1 6539 1 1 1 1 1 1 1 3263 1 1 1 1 3413 1 1 1 1 16424 1 1 1 1 1 6813 1 3920 1 1 1 1 3620 1 1 3368 1 1 1 1 1 1 1 1 1 1 1 3893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7277 1 1 7128 1 1 1 1 1 1 1 1 1 1 15968 1 1 1 637.647 *637.8406* 637.8406@0.8105011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 1 1 1 1 1 1 1 1 1 637.8406 *637.8507* 637.8507@0.81010133 1 1 1 1 1 1 1276 1333 1417 1 1 1 1 1 1 1 1 1353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1163 1 1 1 1365 1 1 1 1 1 1 1 1 1128 1 1 1170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1087 1317 1 637.8507 *638.3895* 638.3895@12.196858 3786 1 9199 5212 8750 6942 1 1 4081 5594 1 1 1 2662 1 1 1 1 1 1 1 2532 1 1 1 1 3898 1 1 4124 1 1 1 3977 1 1 1 1 1 6488 1 2667 1 1 1 6638 3766 1 1 1 1 1 1 2897 6060 1 1776 1 1 1 1 1 1 1 1 1 1 3683 1 1 1 1 1 1 1 1 6001 1 1 1 1 1 1 1 5869 1 3791 3108 1 1 638.3895 *638.3903* C33 H50 N8 O5 5121 6814 1 3976 1 1 8015 2888 1 3292 6355 1 4050 7013 9068 6790 8907 5563 1 1 3593 3692 9378 1 3429 9387 1 2983 9518 3076 3247 9833 8437 5118 1 2839 2800 4614 9418 2837 2749 6205 9235 5191 1 2673 1 9294 9124 8459 5982 3161 3012 6145 1 9172 5140 8604 9859 4350 1 7977 8266 4451 1 9278 9099 2988 2706 8564 9232 8995 9202 4242 7835 1 3419 3107 2838 7399 1 3423 9780 1 3847 9391 5300 3466 6503 4164 638.3903 *638.3915* 638.3915@12.195437 1 1 1 1 1 1 1 6288 3083 1 2641 9399 5254 1 1 2838 1 3233 8912 2986 1 1 1 7036 4838 1 1 1 1 1 5568 1 1 1 9045 6301 4357 4526 1 1 4155 1 1 4499 10284 1 4054 1 1 1 1 1 5956 1 2974 1 1401 1 1 2478 4525 1 1 2595 9045 1 1 1 6850 1 1 1 1 5434 1 7220 1 6135 4146 1 9012 5721 1 9476 1 1 1 1 2814 2723 638.3915 *638.4819* C43 H62 N2 O2 1 1314 1305 1347 1 1362 1 1456 1379 1 1 1369 1434 1 1155 1 1 1321 1 1196 1 1392 1 1669 1 1 1 1 1327 1 1245 1568 1 1 1632 1179 1345 1 1279 1256 1 1284 1 1 1384 1173 1 1588 1431 1573 1514 1406 1259 1 1403 1473 1754 1256 1183 1315 1 1 1438 1 1578 1865 1395 1705 1476 1227 1422 1 1491 1 1307 1454 1 1631 1 1 1419 1470 1282 1 1 1357 1402 1 1 1 638.4819 *638.6752* 638.6752@0.83798975 1 1 1 1 1 1 1 1 5699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 638.6752 *638.8914* 638.8914@12.197714 3379 1 1 4768 1 1575 1 3219 1 1 1 1 1 1 1994 1 1 2506 3296 1 1 1 4671 1 1 1 1 1 4977 1 1 1 1 4681 1 3299 2334 2006 5010 4241 1 1 1 2635 5615 2675 2762 1 1 5254 2183 1 1 1 5072 1 1 2938 5230 2381 1 1 1 5170 1 1 1 2035 1 1 1 1 1 1 1 5012 2577 1 5611 1930 5899 2479 1 5194 1 1 2004 1882 1 5139 638.8914 *638.8927* C18 H9 N O19 S3 1554 5423 4718 1 4934 3076 5138 1937 5052 5243 4860 5039 1 4928 2799 5644 4945 2732 1838 4998 4706 5348 1 5127 5289 5368 4718 5374 1 5531 3083 5201 5340 1 5025 1952 2197 3196 1 1244 6158 4748 5237 2562 1 2415 2762 6140 5545 1 2835 5578 5171 5253 1 5541 1 2433 1 2187 5100 2104 5214 1 5414 5281 4763 3032 5266 5237 5077 5544 4839 5755 5070 1 2322 1772 1 3536 1 2281 5106 1 2049 4711 1 3228 4920 1 638.8927 *639.395* 639.395@12.206 1 1 1 1 1 1970 1 1 1 1 1 1 1 1 1 1 1 1 1 2257 1 1 1 1 1 1 1886 2467 1 2135 1 1 1 1 1 1 1670 1 1 1 2293 1 1 1 1 1 1 1 1 1204 1 2262 1 1 1 1 1 1 1 1989 1 1395 1 1 1 1 1 2242 1 1 1 1 1 1 1 1 1 1 1 1963 1 1 1 1 1 1 1 1 1 2324 639.395 *639.5269* 639.5269@14.016679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 639.5269 *639.5276* C39 H69 N5 S 10582 13515 13482 13450 5505 12072 1 11146 3229 12711 1631 1 13061 1 1 14502 8440 11593 1 1 12452 6904 13612 9351 12891 1 13420 1 11416 14185 12924 11712 1 1 1 1 12890 11905 1 1 1 1 3434 1 1 1 12616 1 11852 1 1 11681 1277 1 1 1 4888 1 9545 3589 10425 1 10337 1 10214 1 10594 7065 11064 1 1 1 9859 1 1 1 1 1 1 1 11419 9361 9194 10594 1 12577 10502 9942 8134 3546 639.5276 *639.5282* C39 H69 N5 S + 13.968871 2038 1 1 1 3998 1 13541 1 8212 1 12251 14644 1 13675 14219 1 4021 1 12558 12538 1 4044 1 4442 1698 12874 1 13091 1984 1 1 1 13961 13383 13110 13310 1 1 11765 13268 12534 13039 8521 12533 9132 19909 1 11375 1 12949 11899 1 10702 9665 11915 12639 6119 10975 1 3895 1 8699 1 10945 1 9980 1 4149 1 11484 10770 10681 1 11771 10538 8399 10916 10341 11041 10999 1 1 1735 1 8947 1 1 1 1 7403 639.5282 *639.642* C43 H81 N3 1 2247 1 1 3411 1 1 3125 3296 3480 1 2977 4278 1 1 3079 3090 3290 3244 3620 1 2317 1 2804 2919 2755 3423 1 1 3262 2888 3458 3309 3704 1 1 3106 2971 3556 3188 3154 3682 2616 2431 2598 3207 3723 3252 3222 3844 3409 3708 1 1 1 3139 3907 3617 3469 2953 2672 2773 1774 3461 1 3604 1 3225 2941 3321 3963 2376 1 3463 1 1 1 2445 2968 2439 2272 3646 3044 1 3210 3073 1 3257 1 3245 639.642 *640.5305* 640.5305@13.930521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 640.5305 *640.5321* 640.5321@13.966253 1 1 1 1 4623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1723 1 1 1 1 1 1 1 1 1 1 1 1 2376 1 1 1 1 1 1 1 1 1802 1 1 1 1 1 3546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1844 1 1 1 1 1 1840 1 1 2779 1 1 1 1 1 640.5321 *640.667* 640.667@0.84057236 1 1 1 1 1 1 8823 1 1 1 1 1 1 1 1 1 5497 1 1 1 1 1 1 1 1 1 1 4475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5566 1 1 1 1 1 1 4632 1 1 1 1 1 1 1 1 1 1 1 1 4870 1 1 1 1 1 1 1 1 1 640.667 *641.5147* 641.5147@14.279461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1481 1 1 1 1 1 1 1 1 1 1 1 1 1 1217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 641.5147 *641.6687* 641.6687@0.8384409 4036 4083 1 15094 8660 18412 19031 3548 3669 23090 1 1 18852 14315 19536 14444 1 18703 19714 1 1 1 1 3974 1 18063 19010 14146 1 20125 9101 19220 4162 20791 8449 18595 19711 1 1 2901 1 3805 18828 2599 8389 17565 1 1 14436 1 1 14613 9587 3514 1 3528 13523 1 18832 9347 2934 17999 1 19246 18004 1 3461 13375 8548 18230 3333 1 1 1 16904 17372 17922 1 1 1 1 1 19080 18773 17754 18571 1 1 1 1 641.6687 *641.6721* 641.6721@0.83732796 1 1 1 1 1 1 1 1 1 1 8247 3259 1 1 1 1 1 1 1 3571 17759 1 18707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2754 1 1 1 1 1 18074 14221 1 1 14777 1 1 1 14460 1 1 4261 1 1 1 1 18828 1 1 8602 1 1 1 1 1 3118 1 3053 1 1 1 1 2895 17602 17361 2666 1 1 1 1 1 2982 13474 17934 641.6721 *642.0227* 642.0227@1.2330189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 642.0227 *642.295* C38 H38 N6 O4 1 1 5118 1 5089 5280 5354 1 5156 5363 4462 1 1 5256 5586 5536 5236 5212 5283 1 4967 5706 5388 1 5382 4965 4631 4960 4951 5255 4941 5496 5364 1 1 5328 1 5179 5029 1 5329 5390 4835 1 5146 5034 5409 5244 1 4889 5025 4898 5333 5004 1 1 1 4940 4838 5047 5200 1 4697 4475 4685 5030 1 5023 4829 4993 4822 5815 4520 4986 5209 4863 5036 4906 1 4401 4938 4940 5343 4329 4387 5119 1 4980 4752 4976 642.295 *642.3993* 642.3993@6.3099966 1 1 10227 8775 1720 1984 1273 1137 1 1 1721 1474 1878 2336 1 1 1 1 1068 1072 1 1 1 1 4711 3987 1 1 1 1 4623 5154 1 1 1 1 2203 2069 1 1 1043 1 1362 1367 4687 4897 1141 1 1 1 1 1 1304 1 1 1 1 1 1 1 1019 1 1 1 1 1070 1 1 5236 5129 3455 4099 1 1 1 1 2701 2804 1241 1 1 1 1 1 1 1 1 1 1 1 642.3993 *642.656* 642.656@0.84201336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4315 1 1 642.656 *642.9009* 642.9009@6.310637 1 1 5615 5461 1 1 1 1 1 1 1 1023 1105 1106 1 1 1 1 1 1 1 1 1 1 2373 2255 1 1 1 1 2475 2365 1 1 1 1 1305 1202 1 1 1 1 1061 1062 2581 2643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2572 2686 2009 2306 1 1 1 1 1562 2094 1 1 1 1 1 1 1 1 1 1 1 1 642.9009 *643.4857* C37 H73 N O S3 7293 6853 7204 6761 6672 7091 6671 7619 7707 7260 6652 7655 6931 6652 6642 6589 6533 6385 6856 6262 6720 6500 5906 6783 6129 6550 6131 6414 6365 5815 5938 6253 5899 6160 6510 6159 6216 5692 6595 6435 5666 6154 5817 5857 6003 5504 5436 5173 5218 5184 5104 5390 4865 5091 5971 5054 3662 5475 4602 4330 4814 4946 4548 4491 5162 4818 4778 4400 4909 4732 4478 3299 1 4809 1 4395 4018 4554 1 3015 4757 4118 4290 4286 4441 4820 4408 4404 1 4134 643.4857 *643.4887* 643.4887@12.555497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4562 1 4569 1 1 1 4569 1 1 1 1 1 1 1 1 1 4619 1 643.4887 *643.6786* 643.6786@0.83762413 4757 4879 5067 1 1 1 1 10269 14373 1 1 4671 1 1 1 1 1 1 1 4438 1 1 1 5027 18232 1 1 1 1 1 1 1 5120 1 1 1 1 15045 4687 4333 10050 9681 1 15207 1 1 1 1 1 5520 1 1 1 15468 1 14435 1 5203 1 1 15450 1 1 1 1 1 13644 1 1 1 9790 9843 1 14296 1 1 1 5094 14061 1 1 10548 1 1 1 1 1 13784 1 1 643.6786 *644.4589* 644.4589@14.308502 1 43459 1 1 46155 1 1 45558 1 1 1 44225 43263 1 1 1 1 43818 1 1 45605 1 1 42648 46328 1 1 41066 1 1 46342 1 1 1 1 41781 1 42732 1 1 44681 43742 1 1 1 1 37611 37239 38405 1 34205 36929 1 1 37859 1 7070 1 1 1 1 1 1 1 1 1 1 1 37245 1 1 1 1 35372 36368 1 1 1 1 1 1 1 2461 38428 35611 1 2870 1 37481 1 644.4589 *644.4594* C30 H60 N8 O7 45181 1 41921 42253 1 50458 41127 1 47303 44129 42077 1 1 44967 44202 45225 43286 1 47724 43742 1 41077 42817 1 1 42243 43691 1 42653 44837 1 45016 42072 44266 40696 1 41329 1 46293 44498 1 1 42951 43543 51202 44816 1 1 1 38695 1 1 37493 36590 1 39340 28663 41505 36399 34722 38247 35811 34214 40564 36127 35338 35112 38660 1 36564 37619 40128 35605 1 1 40007 42210 36766 39694 36383 35720 38682 37321 1 1 34852 36776 36426 1 35799 644.4594 *644.4599* 644.4599@14.431629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4833 1 1 1 1 1 1 1 1778 1 4076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2364 1 1 1 1 1679 1 1 2793 1 1 1 1 1 1 1 1 1 1 1 1 1 1659 1 1 1 1 1 1553 1 1 1 1 1 1253 1 1 1 1 644.4599 *644.4614* 644.4614@14.447868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1576 1 1002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 644.4614 *644.4818* 644.4818@12.541373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1344 1 1 1 1 1 1 1 1 1 1 644.4818 *644.6564* 644.6564@0.8435036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 644.6564 *644.9599* 644.9599@14.358202 1 1 1 1 1 1 1170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28241 1 1 1 3840 1 1 1 1 1 1 1 1 1 1 1 25617 1 1 1 1 1 1 1 1244 1 1 1 24502 1 1 1 1 1 1 1125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23985 1 1 1 2515 1 22729 644.9599 *644.9607* 644.9607@14.312529 1 28679 28691 29102 1 30220 1351 1 29513 1 27302 1 1 26899 28834 1 26160 1 1 27757 28312 1 1 1474 1 1 1 29056 1 27597 1 1 1 1 1 28312 1 1 1 25242 1 1 26844 25764 1 24963 1 23488 1 1 1 1074 22259 1 1 1 1748 1 1 1 1 1 23982 1 1 1 1 22920 1 24406 1 1 1 1 1 1 1 23370 1 1 1 1 1 1 22649 1 1 1 1 1 644.9607 *644.9609* C23 H7 N3 O20 27603 1 1 1 27290 1 27176 26966 1 27757 1 29052 27907 1 1 26524 1 28191 26490 1227 1 1 27059 24772 27557 25784 26949 1 26345 1 27312 27503 26072 27276 26109 1 25990 1 26733 1 26246 27105 1 1 30351 1 25388 1 23333 1 22903 24936 1 24163 24008 23454 19764 23831 23055 22592 22393 22593 1 23840 21830 22395 23452 1 22755 1 22002 24392 22860 23327 22555 22854 23137 1 23545 22182 22446 23153 22957 1 1 21926 23342 21972 23233 1 644.9609 *645.4606* 645.4606@14.388954 1 1 1 1 1 1 1 1 1 1 1 1220 1 1 1286 1 1 1 1 1 1 1 1 1 1 1 1 1931 1274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1687 1 1 1 2388 1 1 1 1 645.4606 *645.6755* 645.6755@0.8373947 10458 10311 12615 1 10936 1 1 1 1 1 13037 9955 1 1 1 1 1 1 1 9692 1 1 1 13398 1 1 1 1 9825 1 4384 1 10571 1 11521 1 1 1 1 9481 1 1 1 1 12373 1 1 1 1 12240 1 1 10846 1 1 1 1 10034 1 4930 1 1 1 1 1 11580 1 1 4217 1 1 1 12556 1 1 1 1 5008 1 1 1 1 1 1 1 1 11105 1 1 1 645.6755 *646.549* 646.549@14.664331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2572 3495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 646.549 *646.5494* C39 H79 Cl O2 S 1 2234 1 1 1989 1 1664 1 1 1 1 1 1 1 1 1 1 1 3256 1 1 13539 12236 5954 8018 4819 4011 2389 1 1 1 1423 1 1 1 1 1449 2139 1 1 1 3458 2039 1 2977 1938 3214 1 1 1 1 2681 1 1 1 1 1 2105 2082 1 1 1 1 1 1357 2759 1 1 2655 1 1 1 3376 4215 1 1 2665 1 1872 1 1 1 1 1 3235 2808 2641 1 2761 2653 646.5494 *646.6592* 646.6592@0.84025615 1 1 1 1 1 1 1 1529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1692 1 1 1 1 1 1 1 1 1616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 646.6592 *647.5511* 647.5511@14.141331 1 1 1 1 1 1 1 1 1641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 647.5511 *647.6727* 647.6727@0.83815557 1 1 1 8025 1 1 1 8373 1 1 1 1 1 7850 1 8647 1 1 1 1 1 1 1 1 1 1 1 3600 1 1 7783 1 1 1 1 1 1 1 1 1 7762 6321 1 1 1 1 1 7961 1 1 8201 3748 1 1 3786 1 7928 1 1 9691 1 1 1 1 1 1 1 3264 8944 1 1 7054 1 1 1 1 1 7289 1 1 1 6755 1 1 1 1 1 1 9545 1 647.6727 *648.666* 648.666@0.83900356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1047 1 1 1 1 1 1 1 1 1 1 1830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1373 648.666 *649.3887* 649.3887@5.9136024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1388 1295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 649.3887 *649.6583* 649.6583@0.840178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3373 1 1 3703 1 1 1 1 3210 1 1 1 1 3826 1 1 1 1 1 1 1 1 1 1 1 3174 1 1 4167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 649.6583 *649.6633* C40 H83 N5 O 3954 3677 1 1 3283 3783 3358 1 3482 1 1 3674 3332 1 3801 1 3242 3495 1 2740 3694 1 3416 1 1 3224 1 3652 3541 3005 1 1 3557 4215 3637 3575 3637 1 1 2843 1 1 3429 1 1 3480 1 1 1 1 1 3824 4683 3613 3154 3667 1 3754 3239 1 2215 3463 3635 3696 3171 1 3357 3485 1 3301 1 1 1 3283 3350 2559 3446 1 3802 3510 3863 1 4375 3260 3155 2958 1 3255 1 3370 649.6633 *650.2703* 650.2703@4.504746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1787 1741 650.2703 *650.6855* 650.6855@0.83599454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 650.6855 *651.3296* 651.3296@4.409202 1 1 1 1 1 1 1 1 1 1 1 1 1 1130 1 1 8372 8426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 651.3296 *651.402* 651.402@5.3202586 1 1 1 1 1 1 1 1 1 1 1 1 1 3358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 651.402 *651.4034* C25 H53 N11 O9 14867 14442 53558 51262 28909 27976 23414 23715 23343 23017 22929 23010 31417 28157 14702 14929 26104 26275 22519 22911 15611 15989 15191 15044 32585 32106 59031 59860 20228 19674 44497 43266 13003 13409 18440 17673 24660 24709 21131 20716 21727 21886 29912 32210 41776 39122 20618 20832 14987 15348 9811 10951 21117 20422 10672 10538 13623 12634 10320 10207 22424 23455 16022 16600 22818 23038 7951 8453 39290 38443 35975 35739 11359 13291 11536 11546 34268 34089 35608 35760 12502 12794 10354 10102 15877 15670 12120 12053 9457 9157 651.4034 *651.4825* 651.4825@14.216537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 651.4825 *651.4912* 651.4912@14.208764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 651.4912 *651.5781* 651.5781@14.14351 2620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 651.5781 *651.6842* 651.6842@0.8350088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 651.6842 *651.695* 651.695@0.83447444 3763 3692 4128 4102 3243 3961 3572 3333 4512 9496 2635 4311 3614 3082 3428 13852 3373 2929 3268 8629 2843 3331 4216 3194 1 3143 3135 13164 3023 3532 3273 2641 3708 8210 3179 3022 3306 3345 3437 2655 1 3644 3271 3328 4218 4123 4324 14004 14029 3457 3084 3500 3703 1 3454 3807 3241 3997 3203 2998 3050 13921 2842 9230 1 13255 3025 1 2973 3024 2805 2847 3735 8547 2912 3706 2768 2832 2631 2908 3033 3920 3363 2953 7827 3168 2907 3258 13428 3013 651.695 *652.3625* 652.3625@6.552132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1715 1536 1 1 1 1 4474 4369 1 1 1 1 1 1 1 1 1 1 1118 1 1233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2113 1752 1 1 1 1 1 1 5240 5238 1825 1547 1 1 1 1 1042 1 1 1 1 1 1 1 1 1 1 1 1 1 652.3625 *652.3971* C25 H48 N16 O5 3557 3195 3365 3453 3504 3099 3457 3616 3428 3367 2675 3627 3161 3668 3508 3676 3573 3589 3301 3034 3565 3348 4091 2511 3829 2944 3575 3326 3526 3801 3266 3225 3786 3674 3402 3167 3511 3485 3507 3327 3491 3140 3616 4288 3900 3586 3825 3295 3591 3368 3359 2644 2884 3161 3535 3895 3907 3467 3520 3564 2854 3492 3610 3201 3729 3359 3936 3284 2525 3237 2458 3153 3799 2875 3405 2931 3284 3449 3312 3252 3078 2977 3350 3225 3269 2996 2707 3088 3285 3625 652.3971 *652.6708* 652.6708@0.8350003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1029 1 1 1 1 1 1 1 2534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 652.6708 *652.8994* C23 H9 Cl2 N3 O12 S2 2108 1907 1927 2066 2012 1 1937 1969 2233 1947 2059 1890 1998 2118 2024 2217 2003 1931 1838 2001 1925 1731 2392 2079 2446 1944 2222 2044 2073 1612 2090 1912 1952 2236 1989 2018 1898 1 2021 2193 2167 2361 1859 1990 1934 1906 2138 2238 1873 1770 1909 2518 2033 2137 2112 2231 1858 1886 1866 2085 1754 1587 1972 1711 1962 1866 2099 1711 2010 1651 2088 2209 2101 1922 1649 2054 1577 1832 2224 2105 2001 1585 1943 1638 1675 2060 2007 1860 1722 2071 652.8994 *653.324* 653.324@13.738697 1 1 2810 1 1 1 1 1 1 1 1 3159 3234 1 1848 1 1 1 1 1 1 1 1879 3181 1 1 1 1 1 3100 1 1 1 1 1 1 1 1 2916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12084 1599 1680 1 1 1 1 1 1 1 1062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2455 1 1 1 1 653.324 *653.3246* 653.3246@14.14359 3499 1 1 2259 1 1 1 1 3514 1 1 1 1 1 1 3622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 653.3246 *653.7048* C15 H Cl3 O13 S5 19076 11536 4487 4551 10656 10891 9974 11259 4656 1 10261 4687 4272 4300 5089 1 11278 4713 1 1 4093 4810 4356 10620 10761 9921 1 1 14617 4326 4024 4203 10642 1 4345 4381 9913 4712 4507 4213 4526 14313 4378 4494 10740 4161 4254 1 1 4565 4680 4053 4817 4674 4437 4341 4303 4575 3985 4469 9849 1 4455 1 9485 1 9465 4126 9630 4255 8897 3935 4249 1 9547 4427 4629 3769 4276 3926 4545 4019 4413 13601 1 4197 4307 1 1 4484 653.7048 *654.2971* C35 H46 N2 O8 S 5764 5090 5390 1 1 4129 2222 1 2944 2498 1 4756 1 3563 3070 1 1 3276 3104 2675 5253 4093 3218 2720 1 5940 2540 1 1 2788 5590 2665 3471 2921 1 5308 2327 5607 3436 3345 2468 2972 1722 1 1763 3359 1 2669 1929 3165 1 6772 1 2950 1 2788 2235 1 4690 4923 7972 5332 6491 1952 4902 3056 1 2983 2785 3698 1 2601 2930 5982 5556 5328 1 5031 3191 2466 2719 4787 3188 2495 1 5294 2584 4976 1 1735 654.2971 *654.2977* C40 H34 N10 3213 3068 2595 4297 5349 2927 5021 7384 1 7491 5204 3110 3443 2905 4881 5932 5830 4293 4765 5088 2781 2186 2175 5494 5662 2785 4446 7335 6095 6054 2110 5608 4820 5051 7393 2770 6593 3121 1 5690 5255 1 6682 5127 6463 5057 8155 5722 3871 4862 8396 1 5978 5039 7263 4715 2256 7731 3104 1 1 2965 1493 6108 2608 4500 1 4455 5144 1 4855 5149 5252 2693 3255 3045 5941 3042 5265 6268 5669 2665 4912 5421 8623 2253 5199 1 5366 3740 654.2977 *654.2996* 654.2996@13.733828 1 1 1 3474 2902 1393 1 1 5395 1 2769 1 3520 1741 1 2702 2900 1 1 1 1 1 1 1 2993 1 1 1 1 1 1 1 1 1 1 1 1 1 2357 1 1 5841 1 2895 1 1 1 1 1 1 1 1 1 1 1 1 2106 1 1 2744 1 1 1 1 1 1 3530 1 1 1529 2427 1 1 1 1 1 2914 1 1 1 1 1 1 1 1 1 1 2573 2721 1 654.2996 *654.3076* C24 H30 N24 4708 5234 4958 4882 4864 4691 4886 4922 4600 5222 4538 4487 4878 4741 4524 4714 4595 4566 4786 4414 4240 4686 4744 4528 4886 4939 4529 4463 4478 4350 4723 4348 4676 4475 4013 4574 4128 4378 4108 4400 4282 4213 4258 4087 4829 4532 4162 4642 4188 4413 4187 3957 3837 3971 3545 3762 4181 3772 3731 4322 3647 3279 3540 3393 3331 3471 3276 3423 3134 2534 3112 3559 3841 3451 2944 3214 3421 3016 3093 3000 2776 3256 3077 2605 3391 2859 3514 2912 3350 3040 654.3076 *654.3083* C38 H38 N8 O3 2431 2942 2734 2476 2735 2983 2803 2398 2714 2413 2584 2494 2599 2397 2310 2196 2227 2091 2398 2444 2628 2554 2575 2026 2229 2367 2069 2731 2574 1832 2524 2429 2132 2570 2462 1901 2477 2366 1863 1916 2221 2439 2351 2243 2633 2330 2192 2478 1875 1878 1876 2359 2286 1806 1920 1652 1840 2134 2082 2130 1782 1914 1819 1498 2051 1619 1630 1465 2058 1444 1586 1877 1687 1706 1974 1 1251 1361 1830 1 1392 1338 1567 1373 1740 1449 1450 1592 1661 1777 654.3083 *654.3147* 654.3147@14.136342 1 1238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.3147 *654.6702* 654.6702@0.83999974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.6702 *654.6837* 654.6837@0.8340017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.6837 *654.7001* 654.7001@0.8269989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.7001 *655.3005* 655.3005@13.758689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1336 1 1 1 1 1 1 1 1 1 2273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1859 655.3005 *655.5238* C35 H69 N5 O6 48025 48069 48884 48794 50400 47612 47775 49906 48860 51551 46644 50440 47748 49039 48153 44036 45913 45808 46690 48770 48758 44367 47599 49867 49151 50767 50198 49695 49646 46698 47264 49633 48168 45540 49864 50109 47618 49662 49592 47513 49650 50794 46293 49270 53768 47649 50329 48129 49840 48826 46586 45273 46823 46705 46750 46507 41656 45258 47252 46149 46625 45114 46347 48060 48310 45889 46595 45181 45825 45131 45771 44935 45783 45369 46641 47597 44721 45479 47897 45493 44936 47645 43518 47178 45540 45810 44322 48621 43892 45415 655.5238 *655.5459* 655.5459@14.183558 1 1 1 1918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.5459 *655.7024* C46 H89 N 1 1 4582 4333 1 1 1 1 1 4876 1 4390 4734 8797 4719 1 1 10294 9583 4701 9270 9460 8855 1 1 1 4372 1 1 9878 9435 4602 1 5243 9162 9379 1 4564 10452 5398 4636 1 4554 9637 1 4237 5917 1 1 9661 9662 9207 5023 9227 4606 4614 4239 9221 4609 8349 1 1 8856 1 1 1 1 4176 1 4673 1 4087 13925 9089 1 4074 8966 4586 4114 12267 1 4231 9295 1 3973 8580 13188 4640 1 4537 655.7024 *656.5253* 656.5253@14.889634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 656.5253 *656.6834* 656.6834@0.8369885 1 1 1 1 1511 1 1 1 1 1 1 1 1 1 1063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 656.6834 *656.6941* 656.6941@0.8279989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 656.6941 *657.5282* 657.5282@14.87 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 657.5282 *657.6921* 657.6921@0.83968407 1 1 7579 3800 4601 8391 1 4289 4092 8742 4257 3898 4200 1 7996 7706 1 1 1 4117 1 1 1 4048 4334 4165 4030 1 1 1 1 4180 4117 4311 1 1 7961 4500 1 7035 3765 1 4339 1 1 3332 8345 8432 3923 1 1 1 8450 1 8255 4246 7079 1 3921 1 1 4181 1 1 4175 8402 8608 1 3724 7963 7337 3686 1 1 6910 3966 1 7624 3679 1 1 3909 1 1 1 1 1 4540 4054 3396 657.6921 *658.2778* 658.2778@13.191464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1081 1 1 1 1 1 1 1 1 1 1 1003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 658.2778 *658.4744* 658.4744@12.225646 1 1 18228 12239 1 13729 1 19035 1 1 1 1 21337 1 1 1 1 1 1 1 1 20496 1 20765 21250 1 1 1 1 19496 1 1 1 1 1 1 1 1 1 1 18395 1 1 1 1 1 1 12586 1 1 1 1 1 1 1 1 4343 1 1 1 1 1 1 3031 1 1 1 1 1 1 1 1 6100 1 1 1 11594 1 12756 1 1 2548 1 1 1 15355 1 1 15452 1 658.4744 *658.4751* C32 H58 N12 O3 7828 15250 1 9015 1 1617 1 1 14971 21099 18864 19493 1 16537 20296 22357 18728 1 1 1 20098 1 1 1 1 1 17994 20376 20617 1 19866 1 1 20811 20126 1 19126 1 1 18854 1 15638 1 1 1 1 17382 1 1 11897 12054 1 1 16581 1 18880 3351 12259 11751 1 1 1 16511 5007 2019 12440 15884 9536 8706 15204 15234 1 6625 11709 14152 1 1 15916 1 16909 15929 1957 14756 1 1 1 1 1 1 1 658.4751 *658.4758* 658.4758@12.210864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14996 1 1 1 1 1 1 1 1 1 1 1 1 1 16923 1 1 1 1 1 1 1 1 1 1 1 19345 1 1 1 1 1 1 1 1 1 7756 1 1499 1 1 1 12208 1 1 1 8612 1 1 4702 1 1 1 1 1 1 1 1 1 1 1 1 1 7927 1 1 7798 1 1 13527 1 1 658.4758 *658.6743* 658.6743@0.8380117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1779 1 1 1 1 1 1 1 1 1 658.6743 *658.9749* 658.9749@12.199493 1 1 4618 1 1 1 1 1 1 1 1 10793 1 1 1 8255 1 1 1 1 1 1 1 1 4051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1287 1 1 1 1 1 1 1 1 3679 9270 1 1648 1 1 1 4787 1476 6477 1 1 1 1 1 1 1 1 2352 1 1 1236 1 1 1 1 1 1 1 1 1 1 1 1169 1 1 1 658.9749 *658.9752* C24 H9 N3 O20 9168 11437 5694 1 8865 11482 1 10965 4361 8906 4547 1 1 1 1 1 1 1 1 9460 8852 11702 7224 10664 7059 1 2635 1 10702 10605 11450 1 10900 1 11656 1732 1 10703 1 10848 10705 10115 1 6140 9601 1230 9457 1 1 1 10065 9428 9023 2224 1 1 3012 8920 4406 1 1 2847 1473 9281 7658 1 1 1 3460 1 1 5136 1 1 2968 1 7330 3827 8413 8137 9398 1 1 3143 2985 7989 8252 1 7901 7519 658.9752 *658.9767* 658.9767@12.185168 1 1 1 1 1 1 1 1 7492 2147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13709 1 1 1 1 1 1 1 1 1 1 1824 1 1401 1 2458 1151 1 1 1 1 1 3072 1 1 1 1 1 1 1 1 1 4538 1 1 1 1 1 1497 2241 1 1 1 1 1 658.9767 *658.9779* 658.9779@14.450634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 658.9779 *659.4761* 659.4761@12.240928 1 6054 2346 1 1438 1636 1 1 3755 1 1 1 1 1 1 1 1 1 2669 3786 1 1 1491 1 1 1 1927 1 1 1 1 1 1 1 1 2657 1 5655 2484 2255 1 2621 1 1 1 1 1 2828 1816 1 3637 1472 1661 1 1 1 1 1352 1 1 1 3094 1 1 1134 1 1 1 1719 1 1 2555 1 2803 1 1 1 1 1 1 1 1686 1 2371 1 1 1 1 1 1 659.4761 *659.4779* 659.4779@12.187713 1 1 1 1 4679 1 1 1 1 1 1 1 1 1 1 1 1 1 2328 2161 1 1 1480 1 1 1 1 1 1 1 1 1 1 1 1 2997 1 1 1355 1 1 1264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 659.4779 *659.6797* C42 H85 N5 1 6022 1 2833 3733 1 1 1 3706 1 5720 3150 2831 2591 1 1 3638 3686 2654 1 3112 1504 6276 3230 3268 3682 2852 2902 3143 1 3316 2692 3346 3400 2625 4179 1 3249 3626 1 2594 4844 3292 3828 3293 3646 1 1 3210 3856 1 3168 1 1 1 3283 1 3732 2798 2819 3036 2958 2704 3166 2944 1 1 3083 3055 1 1 2868 1 1 1 5655 1 1 3163 1 2663 2917 1 2037 3318 1 1 1 3241 2948 659.6797 *659.6899* 659.6899@0.83650863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3190 1 1 1 1 659.6899 *660.4059* C28 H44 N20 5485 1 2972 3455 3727 5330 5784 3175 4983 5174 2326 4485 3735 1 3693 1 5421 4981 1 2362 4427 5527 4301 5560 5493 5594 5238 3859 1800 4609 2271 2015 2048 2678 2189 2685 1 5652 1940 1 4666 2490 5404 1645 1 6067 5712 1 4282 5212 5612 1 1 1 5569 1 1573 6091 4102 4104 5233 2140 2487 5469 1 2966 1 2506 5788 1 1 5294 6590 5525 5450 1 1 1593 3146 5342 5946 3879 1 3321 1 5721 4974 2566 2269 3042 660.4059 *660.4069* C31 H52 N10 O6 1 5555 2552 2305 2189 1 1 2552 1 1 3558 1 2226 4245 2767 5496 1 1 5759 3025 1 1 1 1 1 1 1 1 4035 1 1 3481 2364 2006 3824 2174 5723 1 3815 5807 1 3778 1 1165 4954 1 1 5154 1 1 1 4408 1692 4891 1 5227 3522 1 1 1 1 3903 3527 1 5238 2441 4470 1 1 5374 5055 1 1 1 1 5915 4882 4174 2386 1 1 1602 5102 2314 6111 1 1 3464 2339 3356 660.4069 *660.4079* 660.4079@12.173924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 660.4079 *660.6496* 660.6496@0.8380022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 660.6496 *660.905* 660.905@12.164685 1433 1 1 1 1 1376 1 2404 1 1633 1 1730 1 1451 1 1 1444 1 1 1 1 1311 1 1 1 1 1 1206 1 1 1 1 1 1 1 1 1947 1 1 1 1 1 1 1 1 1312 1 1 1 1 1 1 1 1 1 1724 1 1 1 1 1081 1427 1 1 1 1 2147 1 1 1387 1607 1 1 1 1 2355 1 1 1 1 1 1 1 1 1 1 2042 1 1620 1 660.905 *660.9066* 660.9066@12.143008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 660.9066 *660.9077* C27 H3 N O18 S 1775 3827 1921 3443 3513 1960 3429 1242 3750 1769 3705 1196 3403 2152 3207 3679 1955 3525 3369 3313 2043 1958 3354 3214 3379 3809 3587 1075 1519 3190 3190 3851 3303 3427 3579 3386 1394 3711 3814 3736 1347 3478 3193 3341 3874 2201 3531 3692 3674 3815 3807 3487 3292 3185 3550 1336 1753 3186 3657 3678 2229 1715 2354 3482 3593 3985 1431 3763 3637 2023 1975 3261 3319 3262 3403 1016 3364 3682 3635 3518 1485 3465 3100 3442 3111 3636 1263 3467 1360 3438 660.9077 *661.3928* C36 H51 N7 O5 2101 2085 1603 2028 1966 2385 2175 1941 2210 2116 2218 2272 2591 2261 2368 1897 1981 2047 2171 2133 2336 2486 2151 2032 2142 2193 2139 1991 2297 2110 2192 2058 1869 1918 2374 1433 2378 2163 2429 2011 2282 2366 1828 2354 2201 2166 2148 2194 2078 2035 2379 1975 2029 2112 1883 2258 2120 1445 2118 2378 1837 1482 1731 2012 1763 1819 2152 1867 2068 2015 1872 2011 2044 1921 1924 2138 1848 1836 1775 1295 1313 1313 2018 1232 1750 1970 1450 1811 1903 2170 661.3928 *661.4098* 661.4098@12.161242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 661.4098 *661.5256* 661.5256@0.85314995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1652 1 1 1 1239 1067 1 1 1 1 1 1 2010 1 1 1 1 1 1 1 1 1 1 1 2067 1 1257 1 1 1 1 1 661.5256 *661.5308* C35 H73 Cl2 N7 2018 1633 2264 1883 2064 2009 1762 1351 1543 1 1458 1759 2036 1516 1439 2132 1 1116 1747 1 1687 2020 1404 1755 1610 1479 1 1725 1948 1721 1893 1533 1105 1319 1 1349 1843 1 1507 1810 1385 1715 1 1 1747 1 1 1828 1478 1 1 1650 1639 1 1071 1 1 1 1 1598 1 1638 1 1 1517 1381 1703 1 1477 1913 1 1771 1463 1 1 1640 1456 1712 1 1330 1 1 1 1341 1 1666 1 1364 1723 1 661.5308 *661.69* 661.69@0.8454656 1 1 1 1 1 1 1 1864 1 1 1 1 1 1389 1 1 2261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1837 1 1 1 1 1 1 1 1538 1761 1 1 1 1 2001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1046 1 1 1 1 1 1 1 1 1 1 1 1 1 3884 1 1 1495 1 1 1 1 1 1 1 1401 661.69 *661.6912* 661.6912@0.8495116 1 1 1 1309 1 1 1 1 1 1 1 1 1599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1452 1 1 1 1 1 1 1 1 1 1 1951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1880 1 1 1 1 1 1 1 1 1 1 1 1 661.6912 *661.6962* 661.6962@0.8483615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2001 1 1 1 1 1 1 1 1356 1 1 1375 1 1 1889 1 1 1 1 1 1 1501 1017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1350 1 1 1 1 1 1 1 1 1929 1 1 1794 1948 1617 1 1 1 1 1 1 1 1 1 1404 1 1 1 1215 1 1 1206 1 1 661.6962 *661.7178* 661.7178@0.8331389 1 1 2718 1 1 1 1 1 1 2687 1 1 1 1 1 1 1 1 3173 1 2820 1 1 1 1 1 1 1 2813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1185 3260 1 1 1 3176 1 1 1 3328 1 1 2929 1 1 3288 2046 1 1 1 1 1 1 1 1 1 1 1 1 1 2654 1 1 1 1 1 2380 1 1 1298 1 1 1 1 661.7178 *661.7205* 661.7205@0.8250567 3478 1 1 1 7260 1 3289 1 1 1 1 3508 2107 1 1 1 1 1 1 1 1 1 1 1 2945 1 1 1 1 1 1 1 1 1 1875 1 1 1 1 1 1 1 1970 2827 1904 1 1 1 1 1 3328 1 1 1 1 1 1 1 1 1 3007 1 1 1 1 1 1 1 1 1 1706 2647 6625 1 1808 1 1 1 1 1 1 1 1 1 1 1 1 1 2739 1 661.7205 *661.7321* 661.7321@0.8216622 1 1 1 1 1 2116 1 1 1 1 5400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 661.7321 *662.4445* 662.4445@14.32197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2725 1 1 1 1 1 1 1 1 1 1 2518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1361 1 1 1 1 1 1 1 1 1 1 1 1 4258 1 1 1 1 1 1 1 1 1 1 1 1 1 662.4445 *662.4454* 662.4454@14.410623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2823 1 1 1 1 1 1 1 1 1068 1 1 1 1 1 1 1030 2689 1 1 1 1 1 1 1 1 1 1 3798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2729 1 1 1 1 1 1 1 1 1 1 1 1 4815 1 1 1 1 1 1 1 1 1 1 1 1 1 662.4454 *662.4472* 662.4472@14.666349 1 30839 1 1 1 1 1 1 1 1 1 1 1 1 1 6557 1 1 1 1 1 1 6239 1 20971 1 1 1 1 1 1 2253 31847 1 1 1 1 1 1 1 1 1 1 1629 1 1 1 1 1 1 1 1 1 1 1 1 2531 1 1 1 1 1 1 21902 1 1 1 1 1 1 1 1 1 1 1 1 6276 1 1 1 1 1 1 1 1 1 1 1 1 1 662.4472 *662.4476* 662.4476@14.291397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 662.4476 *662.4477* 662.4477@14.596051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4646 1 1 1 1 1 1 1 1591 1 1 1 1 1 1 1 1 1 1 2674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 662.4477 *662.4477* 662.4477@14.841738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 662.4477 *662.4486* 662.4486@14.195535 1 1 1 1 1 12288 1 1 1 1 8095 1 1 1 8707 8757 1 1 1 1 1 1 6721 1 3269 12360 12942 1 16771 1 1 17477 3999 1 3344 1 1 1 1 1 1 1 4944 9951 1 1 1 1 1 10348 1 1 1 1 1 1 5890 13522 1 1 1 1 1 2532 1 1 1 1 1 1 1 1 19538 12270 1 1 10532 1 1 1 22072 1 1 1 1 1009 9399 1 1 15973 662.4486 *662.6398* 662.6398@0.83999664 1 1 1 1 1 1 1 1 1 1306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 662.6398 *663.4511* 663.4511@14.765112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3200 5583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.4511 *663.4523* 663.4523@14.74767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2599 3089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.4523 *663.4526* 663.4526@14.550308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2659 1 1 1 1 1 1 1 1 4254 1 1 1 1 1 1 1 3234 1 2535 1 1 1 1 1 1 1 3384 3555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1415 1 1 2934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3507 1 1 1 1 663.4526 *663.4527* 663.4527@12.364012 1 1 1 1 1 1 1966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.4527 *663.453* 663.453@14.208745 1 1 1 3251 1 1 1 1 1 1 1 1 1 1 1 5226 1 1 1 1 1 1 1 1 5241 1 1 1 1 1 1 1 3030 1 1694 1 1 1 1 1 1 1 2646 2015 1 1 1 1 8149 1 1 4222 1 1 1 4396 1 1 1 1 1 1 1 2474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6274 1 1 6648 1 1 1 1 663.453 *663.4538* 663.4538@11.52166 1 1 1 1 1 1 1 1 1 3171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2620 1 1 1 1 1 1 1 1 1 1 1489 1 1 1 1 1 1 1 1 1 1 1127 1 1 1 1 1 1 2471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2538 1 1 1 1 1 1 663.4538 *663.4542* 663.4542@11.495619 1 1 1 1 1 1 1 1 1 3244 2540 1 1 1 1 1 1 1 1 1954 1 1 1 1 1 1 1 4848 1 1 1 1595 1 1 1 1 1 1 4751 2306 1 1 1 1 3986 2375 1 1 1 1 1 1 1 1 1 1 1974 1 1 1 5494 1 1 1 1 1 1 1 1 1 4772 3230 1 1 1 1 1 1288 1 1 1 1 1 1 1 1 1 1 1 1 663.4542 *663.4554* C34 H65 N O11 141209 141966 145060 144450 140193 137888 142452 138202 140957 145217 141628 137933 140012 138198 140085 138561 136543 133164 145766 134761 137470 134698 129715 142973 135656 133592 129694 133921 133706 130339 129665 130833 126848 133189 132915 131104 125490 128651 126543 59585 133240 128390 127185 126819 127875 110199 101539 98831 93166 89160 92211 92571 87930 86111 87074 89044 82272 86797 83837 86550 83145 86394 84880 86264 84108 83362 85857 80407 83437 81011 82666 82780 83428 85304 82845 83861 79599 81563 83700 77830 79597 84379 82871 78594 78871 80691 76162 78851 79172 76242 663.4554 *663.4562* 663.4562@11.422949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69964 1 1 1 1 1 1 1 1 1 1 1 2352 1 1 1 1 2150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4305 663.4562 *663.524* C35 H74 Cl N5 O2 S 2819 3220 3258 3180 3026 3482 2667 2521 3072 3134 2854 2687 3453 3212 3119 3065 2882 3010 2798 2985 2856 2849 2752 3178 2845 2643 3326 3239 3075 2854 2676 1 3478 3140 2656 1 3051 2502 3497 3195 3068 2887 3035 2565 2680 3123 2629 2663 3114 3265 2940 2427 3034 3105 2339 2775 3059 3245 3094 2695 2642 2814 2880 2731 2921 2937 2837 2981 2980 2793 2739 2991 3080 3096 2863 2646 3084 3058 2963 2675 1 2975 3324 3035 2805 2807 2885 3149 2913 2949 663.524 *663.604* 663.604@0.8420126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.604 *663.6233* 663.6233@0.8418377 1 1 1 2792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2190 1 2000 1 1 1 1 1 1 1 1275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2325 1 1 1 1 1 1 1 1 1 1810 1 663.6233 *663.6944* 663.6944@0.8380171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.6944 *663.7166* 663.7166@0.8530109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1317 1 2071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.7166 *663.7297* C17 H3 Cl3 O12 S5 3617 3502 7025 3616 1 3522 3355 1 3560 1 1 3000 3664 6141 3513 3341 8148 3375 3465 7421 3306 7098 3255 3471 7696 3368 2928 3312 7631 2926 3693 3174 7210 3617 1 3649 3475 3581 1 3426 1 2428 3101 3443 7129 3387 3502 3395 1 1 1 3447 5605 3622 7702 3305 3027 3445 3750 3222 3512 3675 3483 2973 1 1 3550 6095 3644 3155 3299 3166 1 1 2307 1 3291 1 2105 1 3052 1 1 6606 3145 2872 3015 2598 3129 3251 663.7297 *664.4115* 664.4115@6.3576975 1 1 6387 6425 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 2538 2346 1 1 1 1 3401 3481 1 1 1 1 1110 1 1 1 1 1 1 1064 3448 3378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2997 2991 2067 2778 1 1 1 1 1 2185 1 1 1 1 1 1 1 1 1 1 1 1 664.4115 *664.4571* 664.4571@11.455326 1 1 1 2504 1 3798 1 2535 1 1 1175 1 1 1121 1746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 664.4571 *664.4586* 664.4586@14.7375345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1337 1 1 1 1 1 1 1 1 1519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 664.4586 *664.4646* 664.4646@14.350143 1 1 1 1847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1459 1 1 1 1 1 1 1600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 664.4646 *664.4688* 664.4688@14.450764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 664.4688 *664.915* 664.915@6.3582716 1 1 3605 4329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1559 1507 1 1 1 1 1836 1623 1 1 1 1 1 1 1 1 1 1 1 1 1855 1478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1862 1814 1432 1373 1 1 1 1 1140 1124 1 1 1 1 1 1 1 1 1 1 1 1 664.915 *665.3085* 665.3085@4.4071336 1 1 1 1 1 1 1 1 1 1 1 1 1902 1977 1 1 7950 7671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 665.3085 *665.3824* 665.3824@5.2859273 1 1 2400 2366 1514 1 1 1263 1320 1 1534 1437 2668 2527 1 1 4589 4706 1589 1123 1039 1096 1122 1 1855 1313 1758 1648 1444 1320 1416 1686 1 1 1 1003 1106 1078 1 1186 1 1105 2551 2133 1473 1304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1563 1328 1326 1422 1 1 1 1 1214 1 2283 2495 1 1 1 1 1025 1 1 1 1 1 665.3824 *665.4584* 665.4584@11.370326 1 1 1 1 1 1 1 1 1327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 665.4584 *665.5211* C34 H72 Cl N5 O5 3135 2895 3068 3396 3127 3037 2157 2560 2711 2591 2825 2779 2745 2789 3123 2999 3030 2748 2606 2789 2827 2777 2971 2923 2694 2914 1 3106 2935 2775 2894 2968 3015 3088 2992 2860 2681 2866 3180 3012 2719 2748 2715 3032 2809 2664 1 2378 2985 3176 2240 2736 2541 2733 2274 2553 2683 2556 2867 2647 2700 2737 2757 2733 2866 2529 2541 1 2787 2672 2932 3036 2711 2688 1 3172 2821 2821 2563 2410 2781 2605 2965 3050 2809 2630 2837 2854 2593 2888 665.5211 *665.5992* 665.5992@14.143176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 665.5992 *665.6029* 665.6029@0.8430173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 665.6029 *665.6076* 665.6076@14.140969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4867 4126 2516 2536 4544 2346 1884 1 1 1 1 1 1 1 1 665.6076 *665.6116* 665.6116@0.84033364 1 2019 1 1 1765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3773 1 1 1 1 1 1 1 1 1046 1 1 1 1 1 1 1 2081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 665.6116 *665.7254* C20 H Cl3 O10 S5 3834 6966 1 3770 3719 1855 4157 3800 4099 6170 3341 3662 1 1 3907 3670 1 3828 3658 1 5925 1 4033 5403 1 3854 1962 3286 1 4159 3955 3503 1 3623 3986 3834 1 1 6958 3247 3488 3042 6119 8004 1 3931 3576 3678 9109 3725 3522 3524 2284 3805 1 4005 3657 4279 3735 3565 2901 3821 3591 3592 3837 1136 1 1 2767 1 3278 3375 2065 3790 3068 3530 3696 3297 2173 3186 3435 5558 3746 1 3092 3319 3394 1783 3732 3783 665.7254 *665.7321* 665.7321@0.82600623 1 1 1 1 1 1 1 1 1 1 1 1 3808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2455 1 1 1 2135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 665.7321 *666.4726* C25 H54 N20 O2 1 38742 34102 35088 35421 39004 1 35501 1 36126 39463 37609 35745 36813 36037 38742 36330 36969 37524 36093 36183 36703 37335 38007 2847 33516 37449 38499 36336 35579 34150 38685 36880 34870 37740 37113 34603 36118 39766 36731 1103 38265 34282 35693 42522 31226 32090 30143 1 1 31384 35235 30947 31362 30738 30863 25507 31271 33580 32307 30557 26320 32075 1 7032 31265 33321 31036 33611 30397 29387 33637 30716 30869 32648 30900 33159 31994 29655 31956 32443 29015 26225 31994 1 29932 31577 28216 32423 31485 666.4726 *666.4731* 666.4731@14.286439 38221 1 1 1 1 1 37672 1 38260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34014 1 1 1 1 1 1 1 1 1 1 1 1777 1 1 1 36731 1 1 1 1 1 1 1 32534 32268 1 1 1 1 1 1 3805 1 1 1 1 1 1 30883 28049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29940 1 1 1 1 1 666.4731 *666.4747* 666.4747@14.407822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1469 1 1 1 1 1 666.4747 *666.6095* 666.6095@14.150506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2983 1 1 1 1 1 1 1 1 1 1 1 666.6095 *666.9741* 666.9741@14.321109 1 1 1 1 1 1 1 1 1 1 1 1 22867 1 1 1 1 1 1 1 1 1 1 1 21665 1 1 1 1 1 1 1 1 21941 1 1 1 1 1 2490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1107 1 1 1 1 1 1 1 1 1 1 1 1 1 666.9741 *666.9742* C20 H9 N7 O18 S 24057 23127 23302 23018 24058 22545 24056 24013 23525 24957 23088 23968 1422 23383 22554 23737 22633 22933 23601 24180 23362 22329 21938 21931 1286 25015 22018 22352 23089 22481 24314 20694 22758 1130 23105 22869 22236 23918 23387 21882 22954 22741 22425 22208 27283 21775 20256 19114 18822 18000 21519 18838 20254 19952 18887 20216 17995 20098 19719 20751 19490 19255 19891 19289 18363 19190 20185 19251 18182 17824 18893 19876 20450 20005 18014 18904 17143 19204 18851 18560 18480 18574 19081 19796 19341 19013 18986 19504 19898 17406 666.9742 *667.4781* 667.4781@14.363026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1145 1 1 1 1 1 1 1 1 1 1 1 1 1 1526 1 1 1 1 1 1 1 1 1 1 1 1 1893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 667.4781 *667.5181* 667.5181@0.8503633 1806 1 1 1920 1825 1 1 1 1 2020 1825 1583 1 1918 1014 2049 1372 1870 1683 1 1 1 1 2302 1825 1636 1 2208 1 1630 1 1630 1702 1 1971 1588 1936 1 1 1671 1484 1 1809 1815 1604 1704 1 1 2125 2056 1706 1 1 1 1 1831 1 1 1754 1 1524 1 1 1 1915 1548 1 1 1987 1 1118 1 1 1627 1854 1836 1 1403 1 1 1700 1 1 1960 1508 1 1 1 1790 1566 667.5181 *667.521* 667.521@0.8492114 1 1991 2026 1 1 1705 1541 1536 1807 1 1 1 1726 1 1 1 1 1 1 1697 1 1869 1 1 1 1 1 1 1 1 1 1 1 2102 1 1 1 1 2192 1 1 1804 1 1 1 1 1 1238 1 1 1 1 1 1876 1 1 1633 1 1 1 1 1667 1 1 1 1 1 1488 1 1 1 1738 1915 1 1 1 1 1 1359 1697 1 1 1 1 1 1729 1781 1734 1 1 667.521 *667.6398* 667.6398@0.844012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 667.6398 *667.7127* 667.7127@0.86775756 3099 1 1 4211 3283 2973 2461 2400 1 2245 1 1 2812 1714 1 1 3256 2942 1 1 3063 1 2861 1 1 2490 2008 3128 2333 1 1 1 4342 2067 2608 1 1 2449 2697 1682 2663 2508 2982 1 2406 2628 3197 1 1 3194 2512 2868 3544 2285 2247 1 2964 2946 2819 2071 1914 2227 2353 2308 2728 1 1939 2060 1 2391 3794 1967 2882 3161 1801 2699 2626 2485 2111 1 1 1 1 2453 1 1956 1900 2516 2182 1 667.7127 *667.7183* 667.7183@0.8351705 1 3136 1 1 1609 1843 2468 2380 1 1 1602 1 1 2362 4789 1 1 2193 2432 1 1 2160 1 1 4403 2487 2033 1 1 1911 1 2009 1 1 1 2828 1 1 1 2355 1 1 1 1 1 1 1 1 1 1 1998 1 1 2260 2246 2251 1433 1 1 1 2339 2163 1834 1 1 1 2280 1 1690 1 1 2101 1 1 2069 1 1 1 1482 1 4233 1 1 1945 1 1 2375 1 2468 2567 667.7183 *668.3146* 668.3146@10.120111 1 1 1 1 1 1 1 1 1 1 1 1 2005 1 1 1 1 1 1 1 2522 1 1 1 1 1 1 1 1 1 1 1 2307 1 1 1 1 2417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 668.3146 *668.6453* 668.6453@0.8389994 1 2138 1 1 1 1 1 1 1477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1313 1 1 1 1 1 1 1 1 1 1 1 1201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2785 1 1 1 668.6453 *669.5165* 669.5165@14.080368 1232 1733 1 1 1472 1 1 1 1 1 1 1 1 2310 1 1 1 1 1 1610 1 1 1 1666 1 1 1 1 1 1 1 1427 1 1 1 1 1 1 1 1 1 1 1 1 1623 1 1 1 1 1 1 1 1 1 1 1277 1 1 1 1292 1 1 1 1 1 1 1 1 1 1 1 1430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 669.5165 *669.5275* 669.5275@14.115546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 669.5275 *669.6413* 669.6413@0.841992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 669.6413 *669.6509* 669.6509@0.8415014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2812 1 1 1 1 1 1674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 669.6509 *669.6603* 669.6603@0.84219825 1 1 1 1 1848 1756 1 1 1 1 1 1 1 1 1475 1 1 1 1308 1 1196 1 1 1179 1215 1954 1 1555 1236 1 1 1 1739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1225 1562 1 1 1 1804 1 1 1069 1935 1 1 1 1 1 1750 1 1 1 1 1 1 1 1341 1 1 1 1 1 1 1 1 1 1 1 1494 1796 1 1 1 1 1 669.6603 *669.6731* 669.6731@0.84426093 1 1269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1538 1622 1 1 1 1 1 1 1 1 1 1 669.6731 *669.6999* 669.6999@0.8715141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2299 1 1 1 1 1 1 1 1 1 1 1 1 1 669.6999 *669.7079* 669.7079@0.8760839 2213 2065 2017 2361 2642 2511 2534 2668 2549 1864 2256 2086 2025 1 1892 2375 2434 2563 1996 1 2242 2669 1 1934 1581 2149 2904 1760 1941 2019 2587 2745 2167 2593 2432 2683 2000 2576 2467 1533 1 1 2255 3026 1 2162 2836 3264 2445 2547 3021 2653 3208 2568 1 1 1790 2483 2797 2158 2367 1910 1 1 2474 2211 2418 2772 1907 1 1 2004 2522 2791 2070 2400 1 1 1406 1860 2304 1787 2852 2373 1524 1 1886 1757 2054 2767 669.7079 *669.7157* 669.7157@0.82349336 1 1 1 1 1 1 1 1 1 1640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 669.7157 *670.203* 670.203@4.2551126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2081 2482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 670.203 *670.4352* 670.4352@13.142827 1 1 2276 1 1 1 1 1 1 2156 1 1 1459 2030 1 2101 1 1948 1 1 1 1 2105 1 1 1 1720 1275 1 1 1 2183 2283 1 1 1950 1 1 1 1 1747 1 1 2397 2287 2133 1 1663 1 1 1 1 1 1 1 1 1 1 1 2004 1 1 1 1 1 1 1 1901 1 1 1 2317 1 1 1701 1 1945 1 1 1 1 1806 1 1 1 1 1 1 1700 1 670.4352 *670.565* 670.565@14.173186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3663 1 1 1 1 1 2346 1 1 1 1 1 1 1 1 1 1 1 1 1 2096 1 1 5795 6853 1 1 4213 1457 1 1 1 1 4010 4550 4038 4289 5342 1 8513 1 5750 1 1 1 1 1 6547 1 5660 1 1 1 1 670.565 *670.5672* 670.5672@14.652519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 670.5672 *670.6253* 670.6253@0.83999157 1 1 1 1 1 1 1 1 1 1 1844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 670.6253 *671.5223* C44 H69 N3 S 5416 6133 5665 5465 6616 5642 6355 6231 6647 6819 5530 6227 6099 5932 5872 5846 5659 5095 5385 5399 5122 5460 6252 5858 5093 5357 5951 6257 5831 5515 5726 6099 5135 5496 6109 4924 5126 4931 5254 5455 5400 4437 5446 5702 5786 4754 5399 5745 5991 5017 4366 4690 4660 4300 4934 5452 3978 4322 4104 4342 3899 4184 5225 4213 4708 3792 4242 6006 4673 5136 5036 5359 4782 4260 4208 3707 3933 3827 3365 3431 3517 4047 4168 4186 4744 5586 5842 5104 5247 5993 671.5223 *671.5586* 671.5586@0.844269 1413 1 1 1200 1 1 1 1 1 1 1418 1 1 1 1 1 1 1 1025 1159 1 1 1 1219 1 1 1 1 1274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1135 1 1 1 1 1395 1 1110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1446 671.5586 *671.5631* 671.5631@14.144387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4678 1 1 1 1 1 1 1 1 1 671.5631 *671.5659* 671.5659@14.663226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2317 1 1 1 1 1 1 1 1 1 671.5659 *671.5706* 671.5706@0.8435074 1 1 1 1 1 1 1 1 1 1 1 1 1 1136 1 1 1 1 1 1 1 1424 1 1 1 1 1 1 1 1 1 1 1 1 1 1181 1 1 1 1 1 1 1 1 1 1 1 1 1 1313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1053 1 1 1 1 1 1321 1 1 1 1132 1 1 1 1 1339 1 1 1 1 1 1 671.5706 *671.5779* 671.5779@0.8449799 1 1 1 1 1313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 671.5779 *671.5918* 671.5918@0.84301996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 671.5918 *671.6392* 671.6392@0.8400077 1 1 1 1 1 1 1 1 1 2362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1421 1 1 1 1 1 1 1 1 1 1243 1 1 1 1 1 1 1 1 1 1 671.6392 *671.6966* 671.6966@0.8759935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 671.6966 *671.7065* C45 H89 N3 2714 1659 1874 1157 2159 1 1828 2160 1 1222 1824 1 2035 1894 1445 1467 1552 1576 1380 1945 1 1997 1634 1525 1341 1794 1555 1273 1616 1628 1742 2236 1096 1 2017 2037 1207 1664 1 1404 1 1141 1811 1 1477 1554 1658 1562 2236 1574 1101 1716 2042 1777 1380 1433 1795 1879 1713 1633 1118 1426 1 1 1790 1 1 1428 1222 1 1129 1463 1 1746 1141 1 1266 1013 1439 1350 1848 1 1 1 1058 1419 1217 1704 1610 1764 671.7065 *671.7566* 671.7566@0.8190868 1 1668 1 1 1 2005 4288 1 1 1 1 1 1 1 1950 1540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1878 1 1 1 1 1 1724 1 1 1 1 1 1827 1 1500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1784 1 1619 1 671.7566 *671.7626* 671.7626@0.8172315 1 1 1 1790 1 1 1 1 1 1758 1 1 1 1235 1 1 1 1 1 1 1 1 1 1 1 1 2145 1 1 1 1 1 1169 1 1 1370 1 1654 1507 1 1 1 1 1 1 1 1 1 1 1 2259 1 1 1 1 1542 1 1 1 1 1 1 1 1 1 1 1 1 1628 1 1 1 1 1 1379 1284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 671.7626 *672.6502* 672.6502@0.8384999 1 1 1 1 1 1 1 1 1355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 672.6502 *673.5554* C33 H71 N9 O5 1 2149 1862 2148 1683 1 1 1 1 1865 2149 2165 2296 2198 1 1822 1987 1634 1 1 1869 1903 2098 1843 1 1776 1927 1 1880 2497 1894 2203 1 1 2210 1 1853 1 2468 2017 1907 1 2182 2165 1 2206 1483 1986 2380 2400 1728 1 1920 2046 1475 1946 2188 1292 1564 1585 2216 1950 1633 1898 1804 1737 1 2088 1 1837 1995 2240 1 1585 1 1667 1 1943 1278 2039 1 1 1 1962 1 2180 1842 1899 2135 1698 673.5554 *673.5674* 673.5674@0.8427906 2214 1 1 1 1 2197 1 1 1 1 1 1 1 1 1 1 1 1 2105 1 1 1 1 1 1941 1 1 2048 1 1 1 1 1 1741 1 1 1 1 1 1 1 1678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2279 1 1617 1 1 1 1942 1 1 1 1970 1 1 1 1 2334 1822 1 1768 1 1 1 1 1 673.5674 *673.6413* 673.6413@0.8407901 1 1 1 1 1 1 1 1 1 1 2323 1 1 1 1 2615 1 1 1 1 2458 1 1 2440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 673.6413 *673.6456* 673.6456@0.8398332 1 1 1 2594 2622 1 1 1099 1 1 1 2560 1 1 1 1 2435 1 1 1 1 1 2584 1 1 1 1 1 1 1 1 1 1 2297 2190 3307 1 1 2364 1741 1 1 1 3022 1 1920 1 1 1576 1 1 1 1 1 1 1 1 1 2679 1 1 2479 1 1 1 1 1 1 1 1 1 1932 1 1 1 1 1 1 1 1 1 1 1 2560 1 1 1 1 1 1 673.6456 *673.6596* 673.6596@0.8378585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1216 1 1 1 1 1 1 1602 1 1 1 1 1 1 1756 1 1 1 1 1 1 1 1 2494 1 1 1 1 1675 1 1 1 1 1 1 1 1 1 1 1 1 1 2337 1 1 1 1507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 673.6596 *673.7148* 673.7148@0.8669987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1185 1 1 1 1 1 1 1 1 1 1186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 673.7148 *673.7524* 673.7524@0.83101106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1907 1 1 1 1 1 673.7524 *673.7589* C18 H5 Cl3 N2 O10 S5 2366 1 1 1 1 1710 1 2642 1865 2188 2498 2304 2272 2108 1851 2139 1 1 1846 2626 1 1956 2005 1 1873 1 1157 1295 2200 1 1 1445 2035 3904 2087 1937 1 3096 2109 1 1793 2131 1670 2208 1 2100 1974 2048 2101 1268 1762 1 1793 2223 1 1 1 1 1630 1876 1898 1 1869 1 1 1 1 1667 2081 1 1 1822 1737 1 1584 1562 1668 1 1 1519 1455 1924 1 1760 1 1 1570 1 1 1802 673.7589 *673.775* 673.775@0.8150119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 673.775 *674.1294* 674.1294@5.2332697 1 1 7433 7658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 674.1294 *674.2531* C27 H30 N16 O6 2478 2564 2709 3288 2820 2632 2630 2629 2615 2506 2946 2475 2672 2556 3146 3310 2590 2478 2483 3258 2910 2732 2867 3198 2924 2676 2945 3050 2005 3214 3094 2866 3330 3128 3291 2839 2767 3160 2801 3095 2804 2791 2523 3132 3046 2835 2065 2653 2507 2380 2183 2018 1986 2599 2371 2367 2254 2629 2213 2670 2316 2204 2450 2230 2321 2010 2150 2322 2394 2343 2312 2050 2404 2875 1924 1919 1810 2444 2513 2476 2390 2409 2627 2610 2986 2221 2728 2621 1973 2392 674.2531 *674.4113* C33 H54 N8 O7 2741 2424 2509 2587 2821 2731 2743 2494 2781 2507 2802 2590 2407 2310 2997 2799 2172 2500 2348 2462 2118 2213 2401 2102 2072 2379 2331 2641 2410 2085 2157 2942 2670 2559 2593 2626 2782 3072 2530 2205 2825 2471 2156 2651 2306 2458 2462 2949 1978 2113 2438 2207 2937 2424 2618 2271 2565 2852 2271 2510 2526 1988 2301 2759 2628 1900 2842 2501 2617 2650 1779 2650 2589 2573 2206 2967 2331 2224 2825 2397 2789 2541 2342 2534 2159 2050 2048 2622 2269 2372 674.4113 *674.6494* 674.6494@0.84101933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1482 674.6494 *674.9134* C27 H4 Cl3 N7 O9 1798 1676 1471 1362 1861 1499 1869 1617 1574 1434 1475 1531 1596 1343 1554 1743 1628 1767 1557 1701 1798 1 1480 1478 1379 1677 1814 1823 1656 1755 1454 1524 1435 1784 1441 1841 1662 1656 1 1 1649 1578 1515 1373 1800 1752 1927 1712 1979 1719 1611 1 1 1641 1 1 1452 1 1612 1554 1659 1624 1395 1494 1745 1637 1299 1642 1564 1554 1508 1625 1257 1521 1163 1711 1313 1713 1 1327 1615 1355 1 1476 1341 1501 1612 1748 1744 1264 674.9134 *675.5525* 675.5525@0.84346396 1 1651 1 1 1 1 1 1 1 1 1 1218 1 1 1 1966 1 1584 1 1461 1261 1 1 1 1 1 1963 1 1243 1 1 1462 1 1 1833 1 1550 1 1 1 1 1686 1 1 1 1 1338 1692 1 1652 1473 1588 1 1 1 1507 1 1 1 1 1 1 1 1 1 1 1 2052 1 1 1 1 1675 1570 1790 1 1 1 1 1 1 1479 1 1 1 1 1 1 1508 1 675.5525 *675.5554* C40 H74 Cl N5 O 1720 1 2001 1946 1902 1819 1 1813 1648 1757 1423 1 1515 1 1 1 1783 1 1 1 1 1495 1 1 1818 1788 1 1854 1 1 2019 1 1 1873 1 1 1 1755 1 1783 1611 1 1979 1871 1572 1365 1 1 1982 1 1 1 1912 1500 1 1 1704 1569 2184 1373 1 1349 1176 1 1669 1499 1622 1 1 1476 1841 2013 1 1 1 1783 1907 1463 1971 1889 1530 1 1720 1686 2004 1375 1402 1 1 1468 675.5554 *675.5731* 675.5731@0.84399056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 675.5731 *675.6375* 675.6375@0.8409337 1 1 1 1 1 1205 1 1 1 1 1 1 1 1 1 1 1 1931 1 1727 1 1 1 1 1704 1 1 1118 1593 1343 1 1185 1 1 1 1 1 2434 1 1 1 1 1 1 1 1 1 1082 1 1 1 1574 1 1 1 1692 1 1 1 1 1 1 1 1 1 1 1 1 1818 1 1 1 1 1 2017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 675.6375 *675.6583* 675.6583@0.8409805 1 1 1 1 1 1 1568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 675.6583 *675.7345* 675.7345@0.83601797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3132 1 1 1 1 1 1 1 1 1 1 1 1 1 675.7345 *675.7454* 675.7454@0.8428722 1 1 1 1 1 1 1 1 1 1 1 1322 1 1 1 1048 1 1 1 1 1 1 1 1 1 1 2268 1 1 1 1 1 1004 1 1 1 1 1 1 1 1 1 1 2103 1 1 1 1 1 1 1 1 1142 1 2256 1 1 1 1 1 1 1251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 675.7454 *675.7543* C15 H7 Cl3 O14 S5 1 2349 2051 2348 1 2355 1 4815 1726 2521 2687 1 1 1659 1 1 1639 2492 2162 2464 1 2146 2657 1 2257 2082 1 1355 2050 1666 2578 1778 1 1 1 1 1 1 2002 1515 1 2112 2231 1 2119 1801 1 1 1467 2209 1 1677 1 1854 1 2227 1 2452 2479 1871 1280 1 2151 1980 1989 1 2199 1 2338 1528 1937 1 1845 1 1 1832 1 1 1990 1 1 1 1 1 1 1 1 2102 1863 1932 675.7543 *675.7661* 675.7661@0.81899726 1 1 1 1 1466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1723 1 1 1 1 1 1 675.7661 *676.1719* 676.1719@2.995079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6658 1 676.1719 *676.6403* 676.6403@0.83900815 1 1 1 1 1 1 1 1 1 1 1 1 1037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1847 1 1 1 1 1 1 1 1 1 1505 1 1 1 1 1 1 1 1 1085 1 1 1 1 1 1 1 1 1 1620 1 676.6403 *676.6592* 676.6592@0.8420077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 676.6592 *677.3229* 677.3229@13.193297 1 1 1 1 3104 1 1 1 1 1 1 1 1 1 1 1 1 1 7527 1 1 1 1 1 1 1 1 1 2356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2416 1 1 2680 1 1 7566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2492 1 2807 1 1 1 1 677.3229 *677.4131* 677.4131@13.009136 1532 1859 1 1 1 2035 2318 2185 1 2199 1 1 2345 2200 2226 1 2189 2421 2177 1818 1 1 2085 1 1762 1650 1 1 1 1 1 1 1 1 1 1935 1 1 1 1571 1 2012 1 1 1 1 2033 1 1 2410 1974 1 2182 2081 2165 1 1 1 1 1 1 2310 1831 1 1 1948 1 1 1 1 2058 1 1 1692 1908 2005 1670 1978 1 1 1789 1 2123 1 1 1 1 1876 1 2229 677.4131 *677.4682* 677.4682@12.162238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.4682 *677.4695* 677.4695@12.09388 1 2081 1 1557 20862 1 1 1 1 1 2156 17767 1 1770 1 1 1 1 1 2127 1 1 2376 18176 1 1 1 1 17578 1 1 2128 1 1 1 1 1485 1 11065 1 1 1 1 1 1 1289 1 1 1 1 1 1 1378 1 14799 9451 4471 1 1 1 1 12169 1 1 1 1 1 4468 1 1 1 12431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.4695 *677.4701* C40 H63 N5 O2 S 17318 18537 18512 18930 1 18227 17854 18957 17856 18160 18764 1 20681 19330 20161 19758 17613 17691 18234 18410 16647 17160 18920 1 18448 18151 17226 17939 1483 17379 16078 17809 17423 16060 16313 17281 17161 16886 6835 16255 15908 16345 16013 17793 17589 16029 15073 14532 14933 15208 15460 15319 15011 15445 1 4703 6418 14169 13047 13463 12051 1 13356 13044 13573 12973 13078 5110 12169 12647 12756 1 12405 12452 12561 13675 12278 11892 11802 12096 12079 12227 11851 12541 11645 9426 11785 11516 10939 11427 677.4701 *677.548* 677.548@0.84320337 1 1 1 1 1 1 1 1 1 1 1 1127 1 1 1 1 1 1 1 1 1205 1 1 1113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1204 1 1 1 1 1 1 1 1 677.548 *677.5579* 677.5579@0.8406679 1 1 1 1 1 1 1 1 1 1134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.5579 *677.5802* 677.5802@0.8390153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1047 1 1 1 1 1 677.5802 *677.644* 677.644@0.8422463 1 1 11746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5033 1 1 1 1 1 1 1 1 1 1 1082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.644 *677.6447* 677.6447@0.838009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13791 1723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.6447 *677.6585* 677.6585@0.83999044 1612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.6585 *677.666* 677.666@0.8395098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1455 1 1 1 1 1 1 1 1 1 1 1330 1 1005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.666 *677.6972* 677.6972@0.8360104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.6972 *677.7128* 677.7128@0.839498 1 1059 1 1 1 1 1 1 1 1 1 1 1151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1669 1 1 1 1 677.7128 *677.7243* 677.7243@0.8390125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.7243 *677.7424* 677.7424@0.8242149 1 1 1 2096 1 1 1994 1 1 2544 1 1 1 1606 1 1 1 1 2077 1 1 1 1 1 1 1 1 1 1 1854 1 1 1 1 1 1 1 1 1 1 1 1800 1 1 2490 1 1 1 2025 1 1 1 1 1 1810 1 1 1 1 1 1 1983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2260 1 1 1822 1 1 1386 1 1 677.7424 *677.7504* 677.7504@0.819285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1327 1 1 1 1 1 1 1 1 1 1120 1 1 1231 1197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2507 1 1 1 1 1614 2289 1 1 1 1403 1 2070 1 1 1 1 1 1 1 1 1250 677.7504 *678.472* 678.472@12.02758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2074 1 1 1 1 678.472 *678.5505* 678.5505@12.885279 1 1 1267 1 1 1209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1123 1741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1468 1 1 1 1 1 1 1 1 1 1 1 1 1 678.5505 *678.6384* 678.6384@0.83898246 1 1 1 1393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.6384 *678.6616* 678.6616@0.8380014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.6616 *679.4153* C35 H53 N9 O5 3182 3103 3137 2793 2914 2706 3262 2956 3207 3137 2940 3181 3020 2986 3020 3014 2963 2666 3240 2780 3007 3225 2894 3400 3012 3217 2976 3588 2833 2959 2903 3335 2650 2969 3124 3178 2977 3084 3179 3010 2937 3299 3354 3006 2489 1109 1228 1746 1366 1833 1474 1376 1681 1790 1513 1284 1425 1537 1263 1704 1287 1392 1320 2012 2527 2299 1803 1 1573 1908 1543 2061 1528 1468 1982 1722 1705 1957 1751 1922 1624 1287 1658 1765 1338 2157 1575 1836 1983 2082 679.4153 *679.5804* 679.5804@0.8390185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 679.5804 *679.5984* 679.5984@0.8425151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1100 1 1 1 679.5984 *679.607* 679.607@0.8414028 1 1 1 1035 1 1 1 1 1 1 1 1 1 1036 1 1 1 1 1 1 1 1 1 1161 1 1 1163 1 1 1288 1 1 1 1 1 1 1 1 1 1 1 1187 1 1 1 1 1 1 1 1325 1113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1025 1 1 1 1 1 1 1 679.607 *679.6214* 679.6214@0.84205925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 679.6214 *679.6325* 679.6325@0.83901715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 679.6325 *679.6406* 679.6406@0.83874005 1 1 1 1 1 1267 1 1 1 1629 1 1 1 1 1490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1365 1 1 1 1 1 1 1 1 679.6406 *679.6576* 679.6576@0.84067124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13119 1 679.6576 *679.7165* 679.7165@0.8269998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 679.7165 *679.7199* 679.7199@0.83451414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1225 1 1 1 1 1 1 1 1 1154 1 1 1 1 1 1 1 1 1 1 1 1 1 679.7199 *679.7409* 679.7409@0.82219684 1 1 1 1 1 1 1 1121 1 1 1 1 1 1 1 1 1 1 1301 1 1 1 1 1 1227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 679.7409 *679.7517* 679.7517@0.8185235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1171 1 1 1 1 1 1 1 1 1 1 1430 679.7517 *680.4867* 680.4867@12.136824 1 1 1 1 1 1 1 1 3227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6507 1 1 1 1 1 1 1 2940 1 1 1 1 1 1 1 1 1 1 1 680.4867 *680.487* 680.487@12.104428 1399 9962 3832 3272 1 15275 11419 1 8147 1 1 1 9167 1 11344 15958 4501 1 1 1 1 1 1207 1 2089 6594 1 1 1 12696 4341 1 1 4013 1 1 1 1 1 1 1 16894 1 1 1 18474 4467 4829 1 1 5191 5123 1 1 1 1 1968 1 1 3953 1 5702 1 1 1 1 10493 1 1 5935 1163 1 1 1 1 1 1 1 5321 5466 6985 1440 1 1088 1137 1 4905 1 1 5450 680.487 *680.4877* C40 H64 N4 O5 2528 2919 13333 7653 1 1 1 6812 4472 1 14466 1 2592 11721 1 1 4886 1 1 1 1 12140 1 11249 7754 4677 12231 1 12474 1 6633 1 1 5533 1 1 1 1 12388 1 1 1 1 1 9910 1 1891 1831 1 2025 5296 7288 1 1 1 1 2624 1 4112 5332 1 3800 1 1 1 1 1 4083 1 1586 3027 11324 11880 2688 7699 1 1 1 2946 3732 2043 2125 10360 7923 1 9939 3593 1 10162 1742 680.4877 *680.4934* 680.4934@11.240934 1 3209 1 1 3302 1 3389 1 1 1 3069 1 3167 1 3342 1 1 1 1 1 3287 3144 1 1 1 1 1 1 1 1 1 1 1 1 7575 1 1 1 1 1 3249 1 1 1 3359 1 1 1 1 1 1 1 1 3712 1 1 1 1 1 8096 3960 3503 1 1 1 3816 3666 8437 1 1 1 1 3874 1 1 1 1 1 1 1 1 1 3769 1 1 1 8995 1 1 1 680.4934 *680.6623* 680.6623@0.83232856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1045 1 1 1 1 1 1 1100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 680.6623 *680.9885* 680.9885@12.055511 1056 1 1 3931 1 7099 1 1218 1 1 1 3315 1569 1 8437 1 1 1 1 2554 1 1 1 1 6019 8351 1 1 6748 1 1 1 6669 1 1 2074 1 1479 1 7855 1 1113 1 6225 4220 1 2237 1 3404 1 1 1 1 1 2442 1 1320 1 1 1956 1 1 1 1 1 1 1 1 1 1920 1 1 1 1 1 1 1 1 1 1 1 1 1 4317 1979 1 1 1 1 1 680.9885 *680.9896* 680.9896@12.11863 1820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5122 1 5153 1 1 1 3160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2968 1 1 1 1 1 680.9896 *680.9896* 680.9896@12.09493 1 1 1 1 1936 1 1 7835 1 1 1 2796 1318 1 1 8221 1 1 8570 3419 1 1 1 1 1 1 1 8434 1 1 1 1 1324 6484 1 1 1 1462 1 1 3079 1781 1 1 2697 1 1 1 3287 1 1 1 1 1 1 1 1946 1 1 1 1 1 1 3669 1 1 6568 1 1 1 1 1 7526 8398 2698 8472 1 2544 6440 3967 1 1 1 3478 1 2151 1 2675 1 1 680.9896 *680.99* 680.99@12.07187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 680.99 *681.3935* C31 H43 N19 1135 1171 1739 1422 1252 1423 1358 1489 1027 1512 1499 1209 1206 1194 1231 1130 1331 1130 1598 1664 1418 1314 1125 1695 1166 1034 1319 1557 1624 1287 1450 1 1547 1660 1 1367 1726 1676 1213 1142 1 1439 1727 1535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1096 1 1 1 1 1 1 1053 1 1 681.3935 *681.487* 681.487@12.110385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1096 1 1 1 1 1 1 1 2795 1 1852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 681.487 *681.4895* 681.4895@12.09248 2124 1 1 1 1 1 1 1 1 1 1 1 2336 4053 1 1 1 1 2589 1 1 1 1345 2346 1 1009 1 1 1 1 1 2677 1 3273 1 1 1747 1 1 1 1 1 1 1 2456 1 1 1722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2048 1 1 1 1 1 1 1219 1 1 1 1 1 1 1 1 1 1 1 1 1302 1 681.4895 *681.5811* 681.5811@0.85102266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1055 681.5811 *681.5924* C41 H79 N O6 2199 1 2291 2231 1885 3048 2049 1 2302 1 1 1886 5152 2001 2629 2432 2612 2286 2158 2451 2218 2322 2342 1974 1 1 2807 3099 2177 1925 1 1 3537 2356 2094 1 3111 3165 2504 3127 1694 2390 2583 1899 2195 1862 2439 1745 2645 2363 2579 1 1938 2063 2505 2172 1 1 2461 5050 2067 2162 1 1853 2013 2387 3092 2115 2167 1888 5264 1 1 1862 1 1 2304 1973 2051 1942 2184 1 1826 2725 1598 1 2196 2334 2019 1 681.5924 *681.608* 681.608@0.84212345 1 2424 1 1 1 1 1 2091 1 2137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1744 3485 1 1 1 1 2978 1850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1830 1 1 1 1 1 1 1 1 681.608 *681.6495* 681.6495@0.8350002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 681.6495 *681.6809* 681.6809@0.8309759 1 1 1 1 1 1 1 1 1 1 1 1 1 1470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 681.6809 *681.7833* 681.7833@0.8140019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1329 1 1 1 1 1 1 1 1 1 1 1514 1 1 1 1 1 1 1 1 1 1 1 1 1 1588 1 1 1 1 1 1 1 1418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 681.7833 *681.7883* 681.7883@0.8134318 1 1 1 1 1 1 1796 1 1 1 1 1 1353 1 1 1 1 1 1 1990 1 1074 1 1 1 1 1 1298 1 1600 1 1 1 1 1 1 1 1 1 1582 1 1 1 1 1 1 1 1231 1 1 1 1 1 1 1 1 1 1 1 1 1 1399 1 1 1 1374 1 1 1 1325 1 1289 1 1 1636 1 1 1 1 1 1 1 1 1 1 1328 1 1 1 1 681.7883 *682.4178* C39 H58 N2 O8 1775 3032 2678 1 1834 1 1384 3452 2948 2559 2327 1791 2807 1238 1 2587 2819 1 2386 3103 2617 2423 1 2614 1 1 1468 2593 2775 2559 2446 1116 2850 2919 1 3048 3184 2926 3071 2101 1903 1806 2271 2699 1885 1937 3434 2837 2771 2400 1400 2596 1773 2445 3050 2475 1809 2974 1226 2552 2768 2566 1 2705 1 1730 1321 2439 1474 2642 2660 2714 2817 2791 3449 3153 2310 2584 2618 2679 2602 2523 2413 2552 2095 2867 2593 2595 2893 2455 682.4178 *682.4263* 682.4263@12.1400795 1442 1 1 1 1489 1 1116 1 1 1 1 1 1 1375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1345 1 1 1 1 1 1 1 1 1250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1414 1 1 1 1 1 1 1189 1 1 1519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 682.4263 *682.6476* 682.6476@0.8392579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1822 1 1 1 1 1 1 1 1 1 1 1655 1 1 1 1 1 1 1 1 1 1 1 1 1 1260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1699 1 1 1 1 1 1 1 1 1 682.6476 *682.6574* 682.6574@0.8385134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1851 1 1 1 1 1 1 682.6574 *682.9204* C32 H10 Cl N O9 S3 2176 1281 1080 1 1 2042 2062 1088 1922 1 1 1261 1 2070 1 2368 2479 1264 1031 1 2270 1 1 1 1384 1 1374 1 1950 1 2131 1 2253 2008 2386 1 1 1 1212 1281 1990 2333 1 1 2274 1 1 1 1702 1 1 1 1 1 1 1980 1 2314 1 1366 2091 1 1204 2174 1 1265 1 1 2215 2240 1258 2201 1 1 2321 2248 1 2209 1212 1 1 1 2361 2420 1 2117 1981 1 1 2031 682.9204 *682.9252* 682.9252@12.176898 1 1 1 1 1 1 1 1025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 682.9252 *683.5535* 683.5535@13.87505 1 13661 1 13068 1 1 13865 16838 15744 1 1 1 15250 1 1 1 1 9427 1 15906 1 16073 3478 13702 15478 1 1 1 1 1 1 1 1 1 1 1 17471 1 15169 1 1 1 1 1 12460 1 14500 1 13805 1 1 1 1 1 1 1 1046 9092 9053 1 1 1 1 1 1599 1 1 1 1 1 1 1 12096 1 12248 1 1 1 1 7645 1 12030 1 12749 1 1 11092 1 1 1 683.5535 *683.5547* C41 H73 N5 O S 17453 1 14469 1 17158 11587 1 1 1 17654 14340 15061 1 14103 14284 14195 1 1 15217 1 16749 1 12039 1 1 16007 16674 14543 13187 1 15140 15063 5418 15633 14102 15791 1 15982 1 13131 13145 13287 15248 15429 1 1 1 13887 1 14307 13371 1 12389 14304 12733 14541 1838 1 1 9117 12856 1 12178 13082 1 12333 9069 1 1 12365 12879 1 1 1 1 12710 13152 8646 12169 4074 10480 1 12341 1 12494 11385 1 11847 11716 1 683.5547 *683.555* 683.555@13.863262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14550 1 1 1 1 1 1 1 1 1 1 1 1 15265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20634 1 1 1 1 1 1 1 1 1 1 1521 1 1 1 1 12861 1 1 8620 1 1 11594 12930 1 1 12353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 683.555 *683.5558* 683.5558@13.878733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14238 1 1 1 1 5327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12140 683.5558 *683.5865* C39 H78 Cl N5 O2 2843 5697 3302 3102 5899 2819 1 2896 4212 3004 1 2703 1 2831 5973 1 3251 2975 5465 1 2736 5318 1 3055 2801 2832 2996 2581 3103 1 2552 2154 3290 2955 3190 5808 2706 3086 3003 5604 2642 2575 2942 2640 2935 2462 2937 2450 6664 2958 3026 2900 3405 2821 2991 2912 3190 3044 2868 1 1 1 2329 2452 2796 5681 2990 5164 2575 2654 1 2849 2717 2532 3081 3502 2883 2657 2469 2834 2811 2659 3063 3012 3406 2896 2785 2645 2770 2379 683.5865 *683.6764* 683.6764@0.8349737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 683.6764 *683.7878* 683.7878@0.814746 1 1229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1117 1 1 1 1 1 683.7878 *683.7931* 683.7931@0.8145657 1 1 1078 1 1 1 1431 1 1 1 1 1 1 1 3356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1060 1 1 1 1241 1 1 1 1 1 1009 1 1 1 1 1 1 1487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 683.7931 *684.4264* 684.4264@14.720592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 684.4264 *684.4282* 684.4282@14.719712 1 1 1 1 2078 1 1 1 1 1 1 1 1 1 1 1 1 1 2328 1 1 1 1 1 1 1 1 1 1 1 1 1 1873 1 1 1 1 1 1 1 1 1 2293 1856 1 1 1 1 1 1 1 1 1966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2534 1 1 1 1 1 1 1 1 684.4282 *684.4284* 684.4284@14.747249 1 4971 1 1 2880 1 1 1 2366 1 2505 2061 1 1 1 4023 1 1 2541 1570 1 1 1 1 1 1099 3177 1 1 1 1 1 2278 1 2483 1876 1 1 1 1 1 2268 1168 2146 1 3707 1 1 3508 1 2918 1 1622 1 2388 1 1367 1 1 3236 1 1 1 3601 1 1 1 1 1499 1708 1 1 2431 1 2289 1 1968 1 1 1 2256 2964 1 1558 1 4211 2255 1 1 2691 684.4284 *684.4286* 684.4286@14.76119 1 1 1 1 1 1 1 1 1 1 1516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1480 1 1 1 1 1 1 1 1 1 1244 1 1 1 1 1 1 1 1 1 1340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 684.4286 *684.5574* 684.5574@13.876555 1 1 1166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2357 1 1 1 1 1 2641 1 1 1 1 1 1071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4036 1357 1 1 1 1 1 1 3465 1 1 1 1 1 1 1 1 1 1 4826 1 1 1 1 1 1 1 1 1 1 1 1 684.5574 *684.6485* 684.6485@0.83667916 1 1 1 1 1 1 1 1 1 1 1 1636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1635 1 1 1 1 1 1 1 1 1803 1 684.6485 *685.5211* 685.5211@14.243258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 685.5211 *685.5296* 685.5296@14.241258 1 3670 3042 1 1 1 1 1 4298 1 1 1 1 1 1 1 1 3137 4364 1 1715 1 1 3048 2644 1354 1 1 1 2001 1 1 1 1 1 1 1 3082 1 1 1 1 2219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 685.5296 *685.5834* C36 H76 Cl N9 O 2775 1 2582 2339 1 2334 2340 2660 2845 2678 2303 2431 2626 2508 1 2670 2552 2372 1 2207 2384 1 2548 2600 2338 2726 3379 2790 2570 2354 2120 2366 2691 2712 2422 1 4242 2604 3141 1 2354 2836 2552 1 2400 3003 2402 2497 1 2831 2355 2389 1 2549 2219 2421 1 2314 2494 5127 2371 2199 2575 2432 2145 1 2562 1 2197 2537 1 2267 2309 2443 2137 2339 3122 2475 2374 2389 2031 2361 2968 2434 4275 2069 2386 1 2261 2590 685.5834 *685.669* 685.669@0.8390036 1 1 1 1 1 1 1 1306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 685.669 *685.7271* 685.7271@3.2267277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 1 1 1 1 1 1 1 1116 1282 1 1 1 1 1 1 1 1 1 1 1 1 1358 1182 1 1 685.7271 *685.7676* 685.7676@0.82099134 1 1 1482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 685.7676 *685.7797* 685.7797@0.8164746 1715 1501 1 1 1352 1 1 1847 1318 1569 1 1 1387 1 1 1318 1516 1693 1186 1 1255 1 1 1 1 1691 1 1 1 1 1 1164 1 1227 1 1 1 1484 1 1 1455 1 1 1671 1362 1418 1 1 1267 1208 1 1162 1 1 1 1287 1 1437 1 1748 1 1488 1 1 1273 1 1 1269 1316 1 1534 1 1 1 1 1199 1296 1 1194 1349 1 1 1 1 1 1 1 1 1524 1 685.7797 *685.7936* 685.7936@0.81498784 1 1 1 1281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 685.7936 *686.427* 686.427@6.402861 1 1 4352 4396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1292 1364 1 1 1 1 1 2273 1 1 1 1 1 1 1 1 1 1 1 1 1344 1445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1678 2244 1843 1 1 1 1 1 1033 1 1 1 1 1 1 1 1 1 1 1 1 1 686.427 *686.5404* C37 H75 Cl N6 O S 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1507 5747 5004 1 3957 4659 4240 4221 4120 5143 5095 2870 4144 5856 3857 1 4529 1 3604 5175 4192 5785 1 3304 2552 6336 5711 5174 8019 6978 3267 6427 3369 3586 5366 1975 1457 1 3808 2026 6530 4916 7014 7308 9368 7342 7238 10598 6657 5895 5690 4833 5084 1857 1 1 1 1 686.5404 *686.6477* 686.6477@0.83648694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 686.6477 *686.927* 686.927@6.4046206 1 1 2465 2349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1252 1193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1102 1 1022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 686.927 *687.5047* 687.5047@14.67467 1 1 1 1 1 1 1 1 1 1 1407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 687.5047 *687.5114* 687.5114@12.5188265 6630 6100 6098 6359 1 1 1 1 1 1 1643 6075 6839 1 1 1 1 1 6211 6272 1 6034 1 5837 1 1 1 5781 1 1 1 5650 1 1 5962 1 1 1 1 1 1 1 1 1 1466 1 1 1 1 1 1 1 1 1 1 1 1605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3367 1 687.5114 *687.5129* C32 H69 N11 O S2 1 1 1 1 7027 6281 6133 6482 6278 6389 4868 1 1 6270 6037 6402 6434 6486 1 1 5898 1 5105 1 6252 6212 6132 1 6076 6330 6196 1 6027 5880 1 5976 6108 5960 6437 5566 6349 6246 5811 5698 4660 5854 5045 4921 5002 4873 4507 4622 5101 5087 4701 4814 3496 4356 4597 5002 5601 4765 4993 4651 4786 4863 4310 5012 3791 4270 4414 4833 4365 4652 4895 4582 5048 3853 5302 5040 4778 4570 4403 4495 4021 4377 3898 4326 1 2688 687.5129 *687.5487* 687.5487@14.136121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 687.5487 *687.5799* 1-eicosanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol 1 1827 1733 1670 1429 1637 1 1494 1 1532 1781 1444 1388 1701 1951 1638 1708 1936 1459 1610 1662 1398 1771 1782 1364 1417 1857 1711 1659 1 1650 1558 2118 1817 1 1777 1 1942 2224 1738 1 1579 1 1843 1514 1668 1 1425 1 1985 1 1504 1637 1 1531 1661 1961 2536 1 1 1351 1723 1 1 2241 1470 1687 1411 1775 1183 1633 1346 1570 1543 1 2453 1599 1890 1774 1568 11245 2086 1718 1742 1 1737 1721 1637 1815 1451 687.5799 *687.5945* 687.5945@0.8417988 1 1 1 1 1 1 1787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1490 1 1 1 1 1934 1 1 1 1 1 1 1 1 1 1 1 1595 1 1 1 1747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 687.5945 *687.7617* 687.7617@0.8225008 1 1171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1330 1 1 1 687.7617 *687.7728* 687.7728@0.8176871 1095 1 1 1 1 1242 1 1586 1 1 1 1 1 1 1 1 1 1821 1 1 1 1 1 1 1 1 1 1343 1587 1 1 1281 1 1160 1 1 1047 1 1 1 1 1 1166 1344 1 1 1719 1 1 1 1 1 1 1304 1 1466 1 1357 1661 1 1 1 1226 1223 1 1 1 1 1 1 1 1 1513 1002 1772 1 1 1181 1 1 1 1 1 1 1 1 1 1 1 1 687.7728 *687.782* 687.782@0.8179747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 687.782 *688.4871* C36 H68 N2 O10 28308 32221 28501 29779 27354 29861 27463 27891 28299 33149 27114 31201 27239 26627 28353 27839 28880 30342 29267 27075 28232 30727 30845 25888 29150 30238 29062 27303 30451 29035 30007 28259 28148 25692 29022 31419 29543 27987 26110 25522 26125 29554 28921 30878 30652 25532 23150 23976 23779 22050 23524 23190 24453 22692 25288 23346 16869 22570 24909 21537 24500 21932 22830 25922 27315 22778 24897 22780 22884 25060 23346 20900 24091 21955 23921 21569 21047 21990 21681 25118 21459 20169 23477 24398 20618 22701 26590 21359 22110 20675 688.4871 *688.4965* 688.4965@14.343814 1 1 1842 1025 1 1 2918 1 1 1 1 1 1 1 1 2017 1 1 1 1 1 1 1 1 1 1 3290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3068 1 1 1 1 1 1 1 1 1 1 3875 1 2151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 688.4965 *688.5185* 688.5185@12.51131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1809 1 1 1 1 1 1 1 1 1 1 1 1 688.5185 *688.5486* 688.5486@14.141031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2393 1849 1 1 1 3006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1210 1 1 1 1 3603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3391 3253 2026 3183 2408 688.5486 *688.6325* 688.6325@0.8409827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 688.6325 *688.7348* C17 H2 Cl3 N3 O11 S5 1134 1328 1 1129 1071 1 1362 1 1334 1153 1233 1496 1092 1031 1124 1323 1189 1294 1071 1305 1 1 1 1 1280 1217 1198 1254 1421 1242 1066 1 1512 1267 1147 1254 1 1 1064 1117 1230 1509 1268 1404 1105 1150 1430 1473 1238 1372 1098 1098 1349 1291 1127 1073 1414 1474 1 1 1178 1 1119 1093 1614 1629 1 1 1281 1497 1144 1 1031 1318 1063 1 1220 1244 1 1 1285 1 1441 1407 1 1 1375 1390 1 1 688.7348 *688.9866* C21 H15 N5 O18 S2 14576 18280 18958 18861 19345 18752 18039 1119 1872 17631 18973 18974 19671 18015 1846 1 18019 18949 19314 18288 18714 18330 17684 1 18774 1 18878 18209 18109 17555 1149 14587 16280 17486 17913 18624 17290 1868 16863 17707 1 16742 17098 16963 1 15124 15417 15241 15889 1 16603 1 15592 14652 14862 1 10181 1 15339 1 1 1 14713 1 14540 15420 14123 13801 13736 14055 1 14798 1 15611 16042 14205 15476 14922 15793 1 15842 15127 1 16006 16790 14649 14452 15246 14907 15123 688.9866 *688.9876* 688.9876@14.265391 3757 1 1115 1 1 1 1 18055 17263 1254 1 1 1 1 17660 19409 1 1 1 1 1 1 1 17607 1 18702 1 1 1 1 17374 3618 1 1116 1 1 1 17081 1 1 17118 1 1271 1 20410 2175 1 1 1 15403 1 14687 1 1 1 14563 2221 15047 1 14759 14926 14471 1 16143 1 1 1 1 1317 1 13598 1 16515 1 1 1983 1 1 1 15655 1 1 14296 1 1 1 1 1 1 1 688.9876 *688.9885* 688.9885@14.372341 1 1 1 1 1 1 1 1 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 688.9885 *689.4934* 689.4934@14.279293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1435 1 1 1 1891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 689.4934 *689.5906* 689.5906@0.8440089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 689.5906 *689.6068* C38 H75 N9 O2 1633 1 5900 2672 14220 2276 1 11779 1579 6517 1 1 2568 2613 2732 13952 1 1 1 1990 2459 10763 12081 1650 11384 1 11302 1 1823 9260 1 6415 1 1571 1 1929 1 1 2937 1655 1 2236 1480 1872 1 1 1 1 1986 14413 16875 1 1 1 1660 1 1 1 2220 6407 1 1 1 1 1 2828 5546 1 1776 1 13388 2558 1 1 1 1 1 11699 9867 1 1 6787 1 9679 1450 5491 1 11279 1 2264 689.6068 *689.6118* 689.6118@0.8408404 1 1993 1 1 1 1 1 1 1 1 6041 1 1 1 1 1 1470 2643 6293 1 1 1 1 1 1 2320 1 9007 1 1 9366 1 2525 1 5974 1 6615 9750 1 1 1 1 1 1 1776 1564 1280 2524 1 1 1 1760 6716 13451 1 1399 10588 13729 1 1 2156 1522 1 5755 12753 1 1 1810 1 1601 1 1 1959 1 1836 9101 13029 1 1 1651 1 1 6680 1 1 1 2276 1 10059 1 689.6118 *689.7699* 689.7699@0.8179948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 689.7699 *689.986* 689.986@14.244168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 689.986 *690.2969* 690.2969@10.125424 1 1500 1 2156 2304 1 1 1 1 1 1 1 1 1 1 1 1715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 690.2969 *690.6004* 690.6004@0.8380125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 690.6004 *691.6128* C38 H82 Cl N5 O3 7687 1 1 1 1 3377 8286 1 7301 1 1 8224 11707 2823 3092 1 7830 7085 1 6610 10283 1 1 11022 1 2980 1 1 10914 1 1 1 3014 13791 1 8585 1 1 11923 3159 3882 2847 10566 8244 11618 11513 6428 3081 12533 1 1 10390 1 1 2679 7062 1 1 11283 1 2980 10386 7957 1 1 2624 1 11065 7760 3642 1 9780 2686 3009 10971 1 1 1 1 7059 1 1 1 1 10083 1 2618 1 1 3023 691.6128 *691.7467* C15 H7 Cl3 O15 S5 1 1063 1 1 1117 1108 1284 1017 1169 1096 1274 1270 1109 1 1406 1150 1454 1 1375 1467 1034 1145 1 1083 1309 1377 1182 1130 1112 1399 1135 1055 1584 1284 1368 1 1 1368 1497 1402 1427 1136 1488 1638 1566 1621 1378 1707 1318 1550 1248 1 1285 1049 1465 1564 1605 1572 1270 1224 1224 1257 1205 1186 1356 1554 1275 1188 1 1177 1188 1403 1165 1192 1127 1 1112 1160 1112 1 1453 1278 1213 1328 1143 1383 1028 1304 1101 1046 691.7467 *691.8124* 691.8124@0.81099033 1 1 1 1 1 1 1 1 1403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 691.8124 *692.6328* 692.6328@0.8399817 1 1 1 1 1 1187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 692.6328 *692.6612* 692.6612@0.8410063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 692.6612 *693.3423* 693.3423@13.137902 1383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1424 1 1 1 1305 1 1 1 1 1 1846 1 1 1 1 1391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1143 1521 1 1 1 1 1 1 1320 1249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1333 1 1 1 1186 1 693.3423 *693.608* C43 H83 N O3 S 1 11739 8267 3617 1 9896 1 1 1 10308 8174 1 1 8133 10556 1 1 1 10417 1 1 1 1 1 1 8510 1 1 1 1 1 7332 11319 1 7756 1 10500 1 1 11702 7053 10079 1 1 1 1 1 3616 1 1 1 1 1 1 9892 1 1 1 1 3568 7859 1 1 3987 1 6913 10440 1 1 3885 1 1 6411 7877 1 1 1 1 1 1 1 9529 9139 1 1 7668 1 1 1 7433 693.608 *694.3503* C36 H58 N2 O5 S3 6051 6805 7124 6062 7238 7164 7334 7248 6631 6805 6857 7116 6558 6785 7231 7270 7401 7621 1 7139 6885 6898 6243 6828 6891 6443 7093 7008 6896 7257 6866 6097 6295 6831 6908 7036 1 6871 6798 7285 7528 6377 6965 5526 7377 6240 5544 4821 5600 5449 5668 4967 5545 4962 4770 5045 3456 5690 5585 4937 5655 1 5517 5014 5690 4978 5313 1087 5010 5128 1 4913 4556 5012 4410 5427 4641 5029 5082 5352 6055 5291 5295 5255 5364 5178 5181 4594 3618 4917 694.3503 *694.3522* 694.3522@13.201098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6255 1 1 1 1 1 1 1154 1 1 1 1 1 1 1 1 1 1 1 1 1479 1 1 1 1 1 1 1 1 1 1 4070 1 1 5030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1568 1 694.3522 *694.6353* 694.6353@0.8370203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4356 1 1 1 1 1 1 1 1 1 1 694.6353 *694.7537* 694.7537@3.2305288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1135 1 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 694.7537 *695.4291* C27 H57 N11 O10 9434 9693 39616 36757 19338 19402 16012 16102 15439 15709 15622 15116 20760 21588 8700 9194 13561 12804 15329 14953 1 10495 9577 10038 22694 22671 36508 35524 13244 12749 31063 31196 8771 8462 11764 11217 16603 16031 14757 1 13924 14358 19850 20178 27796 25837 13299 13508 9721 9775 6000 6960 14526 14185 6239 6768 8592 7917 6351 6050 15091 15538 11497 10887 14964 14676 5732 5526 26764 27298 24055 24234 7818 8248 6755 7626 24234 23905 21177 21619 7179 7170 6291 6178 10573 10633 7464 7491 5600 5444 695.4291 *695.5274* 695.5274@14.172241 1 1 1 1404 1 1 1 1 1 1866 1 1 1273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 695.5274 *695.5361* 695.5361@14.172174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 695.5361 *695.5472* 695.5472@14.166662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2384 1 1 1 1 1 1 1 1 1 1 1 1 1626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 695.5472 *695.6081* 695.6081@0.8408895 3345 1 1 8736 1 1 6526 5917 8729 1 1 3251 1 1 1 1 5803 9854 1 5434 1 6562 3127 1 5887 1 6408 6345 1 1 6706 1 1 1 1 3051 1 6694 1 1 1 1 1 5681 1 1 5905 6642 1 1 1 1 6873 1 1 7954 6289 1 1 5975 1 1 1 6346 1 1 1 1 7002 2753 1 1 1 1 1 9594 1 1 6534 8551 5801 1 1 6390 1 1 2830 5765 6550 1 695.6081 *695.8043* 695.8043@0.81319886 1 1 1 1 1 1 1 1 1 1240 1 1 1 1 1 1 1 1 1 1 1 1 1027 1 1 1 1 1 1103 1105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1079 1 1 1 1 1 1 1 1 1 695.8043 *695.8112* 695.8112@0.8121085 1 1 1 1215 1 1152 1 1 1291 1 1183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1106 1 1 1 1 1 1 1 1 1 1 1 1 1148 1 1 1 1 1 1 1 1 1 1 1082 1 1 1 1 1 1 1 1 1 1 1 1116 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 695.8112 *696.3472* 696.3472@10.668823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2933 1 2261 1 1 1 1 1 1 1 1 2546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 696.3472 *696.3873* 696.3873@6.6350713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1394 1189 1 1 1 1 3670 3326 1 1 1 1 1 1 1 1 1 1 1 1 1447 1025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1449 1442 1 1 1 1 1 1 4594 4203 1 1055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 696.3873 *696.4247* C42 H56 N4 O5 1369 1744 1151 1378 1711 1236 1603 1806 1817 1568 1551 1 1416 1 2113 1589 1 1261 1 1 1344 2037 1595 1 1 1 1557 1830 1 1629 1283 1457 1163 1317 1350 1154 1915 1469 1404 1635 1351 1 1 1360 1863 1814 1445 1594 1560 1786 1461 1302 1805 1272 1043 1455 1387 1437 1395 1525 1555 1739 1808 1 1 1429 1413 1 1355 1 1 1 1 1766 1390 1673 1471 1079 1645 1616 1448 1670 1633 1 1236 1138 1 1360 1252 1323 696.4247 *696.6327* 696.6327@0.839399 5274 1 1 1 1 1 1 1 1 1 1 9604 1 1 1 1 1 1 1 1 1 1 5264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12632 1 1 1 696.6327 *696.926* 696.926@11.127155 1 1 1024 1 1 1 1036 1 1 1142 1382 1 1 1 1183 1 1 1 1 1 1190 1147 1 1 1034 1402 1057 1 1 1 1 1 1 1220 1 1 1 1059 1 1 1 1 1 1 1116 1 1 1 1 1 1 1455 1 1 1 1 1 1 1077 1 1 1 1110 1 1 1 1 1 1 1231 1 1 1 1 1 1 1 1 1139 1 1 1 1 1 1 1 1 1 1 1 696.926 *697.6006* 697.6006@0.842143 3631 1 1 1 1 1 1 1 1 1 2979 1 1 1 1 1 1 1 1 1 1 1 10976 1 1 2396 1 1 3060 1 1 3063 1 1 1 3247 1 1 1 1 2002 1 1 1 15776 1 1 1 3138 1 1 1 1 1 1 1 1 1 15222 1 1 1 1 1 1 2700 1 1 1 1987 2486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2028 1 1 1 697.6006 *698.1537* 698.1537@3.004864 1 1 1 1 2465 1937 2672 3009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8131 7907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11132 698.1537 *698.6142* 698.6142@0.8360125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 698.6142 *698.6269* 698.6269@0.8401519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5031 1 1 1 1 1 1 4364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1033 1 1 1 4496 1 1 1 1 1 1 4639 4932 1 1 1 1 1 1 1 698.6269 *699.3058* C38 H33 N15 1971 2213 2303 2260 1 1946 2268 2257 2079 2760 2141 2407 2250 2240 2791 2436 2367 2002 2923 2902 2720 2418 2478 2373 2466 2378 2216 2326 1 2157 2422 2574 2125 2490 2349 2741 2331 2365 2287 2816 2058 2308 2474 2329 2078 2491 2477 2122 2274 2268 2409 2405 2352 2557 1892 1 1485 2058 1 1974 1 1 2125 1964 2297 2286 2078 1797 2044 2023 2109 1334 1590 2432 1705 1869 1845 2301 2235 1713 2405 2155 1933 1 2169 1 1981 2177 1808 2554 699.3058 *699.5491* C33 H69 N11 O5 51544 52974 52825 51275 52366 51769 56623 54206 53778 53737 54235 60375 56254 53242 51954 55636 51216 2398 55894 52448 53045 55489 55720 56226 51645 57153 55219 55598 51568 58773 50886 51246 48615 51338 55139 53361 54663 53985 59498 52857 58215 55846 53935 56237 61536 55396 56098 50753 53094 50925 52018 53983 53173 52461 52073 54220 49071 49944 51773 52048 51623 49192 54100 49643 52785 52604 51022 49386 49004 52182 49184 48702 51831 50050 50750 50680 52239 53029 51417 50035 48489 51762 48685 52092 50915 50117 47997 1 50530 50861 699.5491 *699.5495* 699.5495@14.834429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47913 1 1 699.5495 *699.6279* C44 H81 N3 O3 10371 15934 1 1 8324 11885 11129 15843 1 7612 11000 14076 15148 1 15928 15710 16854 1 1 2837 1 14573 1 15276 14598 11012 6701 6716 14641 12667 10643 14448 11873 1 1 3097 12271 12141 16686 2144 1 6445 1 6979 1 1 1 15974 12413 1 17515 1 1 12383 10570 1 11389 1 1 15513 10590 10624 11445 11110 14854 2914 2251 14338 1955 14143 10666 1 12133 14675 1 1 6437 11003 14724 1 9857 2879 12346 11898 1 11580 10055 14677 2639 1 699.6279 *700.4022* 700.4022@14.763874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 700.4022 *700.549* 700.549@14.876286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 700.549 *700.6274* 700.6274@0.84399045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 700.6274 *701.4643* 701.4643@13.005322 1816 1 1 3137 1539 1 1 1 1 1734 1 1998 1756 2615 1 1 1 1 2614 1 2210 1 1 1684 1 2344 1 2435 1544 1 2213 1786 1912 1782 2020 1 2020 1 2280 1684 1 1 1 2044 1 1662 1 1 1 1 1 3484 2551 2000 1 1 1 1 2637 1 1 1 1 1 1 1 3048 1 1492 1 2610 1 1 1 1 1 1160 1 1 1 1 2916 2933 1 2487 1 1 2162 1 1 701.4643 *701.4672* 701.4672@12.996279 1 1 1370 1 1 1746 1 1 2668 1 1 1 1 1 1 2514 1526 1671 1 1524 1 1 1 1 1 1 1 1 1 1 1 1209 1 1 1 1705 1 1 1 1 2813 1 1 1 1 1 2167 1 1 2762 1 1 1 1 2817 1 1 1 1 2152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 701.4672 *701.5479* 701.5479@14.801821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 701.5479 *701.6349* 701.6349@0.83850545 1 1 1 12714 1 1 1 1 12013 1 1 1 1 9380 1 1 1 12430 1 12123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12346 1 1 1 14503 1 1 12840 1 1 1 15250 1 1 12249 1 1 1 1 1 11480 1 1 1 1 1 1 1 1 1 10598 11822 1 11699 1 1 1 1 1 1 10902 1 1 1 11647 1 11802 1 1 11516 1 1 1 1 1 701.6349 *702.4849* 702.4849@13.004446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 702.4849 *702.5007* C49 H66 O3 1 1220 1 1 1545 7035 1 1 5413 2262 1 3985 7062 1 1214 1 3010 1 4176 8308 1 1 8546 1 2989 1794 4029 1 1 1 1 1 1 10819 5082 1189 2720 8415 2696 5465 4978 1 2766 1 2031 1 3052 1407 1 5382 4110 1 4494 6571 1 1 1 1 1 2642 1 1 3914 1 1 3736 1 1 1 1737 1552 1 2977 1957 1732 1859 1 5845 3155 1 1705 2463 1631 1 1 2744 1 2868 1 1419 702.5007 *702.5007* 702.5007@11.92982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1649 1849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1250 1 1 702.5007 *702.5019* 702.5019@11.931564 1 1 1 1 2131 1 1 1 1 1 1 6234 1 1 3846 1 1 1 1940 1 1 1 1 1 1890 6642 3641 1 1 1 1 1 1 1 1 1 4908 1 1 1 1 1 1 1 2361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4639 1 1 1 1 1 1379 1 1 702.5019 *702.5491* 702.5491@14.239129 1 1 1 4407 1 1 1 1 1 1 1 2827 1 1 4394 1 1 2528 1 1483 1 1 1 1 1 1 1 4217 1 1 1 1 1 1 1 4425 1 1 1 4010 3347 1703 1 3584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 702.5491 *702.5492* C36 H75 Cl N8 O S 6702 1 1 2749 4231 1 3653 3061 3393 11694 11208 5484 1 1 5136 12221 1 2437 1 8073 7856 1 1 8570 3338 5812 8268 1071 1 1 4897 4236 3613 3658 1 2248 4279 5664 4564 4564 1055 1888 1 3444 1 1 4502 1563 3047 1 1822 1 4797 2869 1504 1 2907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 702.5492 *702.5498* 702.5498@14.137392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3112 1 1 1 1 1 1 1 1 1 2915 1 1 1 1 1 1 1 1194 1 1 1 1 1 4662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 702.5498 *702.627* 702.627@0.83999586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 702.627 *703.0004* C34 H22 Cl N O6 S4 1 1 8087 1 1 1 1 7164 1 1443 1 1 1 8254 1715 1 1 2509 1681 1 1 1163 6792 1 1 1 1 1 1 1 1 7392 1 1741 1083 4435 1 1 1 1091 2807 1 1 1 1 4029 4943 1 1 6693 1103 6433 4344 1268 1 2477 1174 6178 1 1 1 1 1976 2505 1501 5289 1249 1 1 3506 1 1 5252 3701 1278 1 2639 2449 2903 1 1100 1 6151 5679 1 1 1761 6117 6035 1064 703.0004 *703.0012* 703.0012@11.967039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 703.0012 *703.0038* 703.0038@12.010609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2863 1 1 1 1105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 703.0038 *703.0047* 703.0047@11.910405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1505 1 1 1 1 1 1 1 1 1 1257 2348 1 1 1690 1 1 1293 1 1 1 2173 1252 1 2105 1072 1 1 1 1 1 1 1 1 1 1 1 1 703.0047 *703.506* 703.506@11.970917 1 1 1472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 703.506 *703.5547* 703.5547@14.17726 1 1 1 1 1 1 3847 1 1100 2122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 703.5547 *703.5557* 703.5557@14.16332 1 1 1 1 1 1 1 1 1 2102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 703.5557 *703.636* 703.636@0.8392016 1 1 1 1 3941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11808 1 1 1 10616 11511 1 1 1 1 1 11281 1 1 1 1 1 1 1 8372 1 10683 1 10079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8429 1 1 1 1 1 1 1 1 1 1 1 1 10552 703.636 *704.6362* 704.6362@0.8395128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1079 1 1 1 1 1628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3528 1 1 1152 1585 1 1971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 704.6362 *704.6415* 704.6415@0.83501035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 704.6415 *704.9321* 704.9321@12.145637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 704.9321 *705.631* 1-nonadecanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol 7412 1 7055 1 6882 7796 6518 1 1 7306 6595 1 1 3006 1 1 1 1 9385 1 1 1 1 1 1 6609 1 1 1 6861 7152 1 10228 1 7434 1 7317 6963 1 1 1 1 1 1 6978 1 1 1 7328 1 1 10279 10177 6951 9713 1 7466 14153 6817 1 6215 7816 6636 7312 1 1 1 1 1 1 6620 1 6466 1 1 1 1 6601 1 1 7213 1 8031 7661 1 6680 6269 1 1 1 705.631 *706.6229* 706.6229@0.8390266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1345 1 1 1 1 1 1 1 1 1 1 1 706.6229 *706.6404* 706.6404@0.8320088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 706.6404 *707.4804* 707.4804@11.47871 1 1 1 1 1 1 1 1 2045 1 1 2043 1 1 1 1 1 5231 1 1 1 1 1 1 1994 1 1 1 1 1 1 1170 2650 1 2289 1 1 1 1 1 1 1 3843 1 1 1 1 1 1 3037 1 1 2679 1 1 1 1678 1 1 1 1 1 4635 1 1 1 1 1432 1 1 1 1 1 1 1 1 2103 1 1 1 1 1940 17139 1 2752 1 1 1 1510 3205 707.4804 *707.4807* 707.4807@11.473346 1 1 1 1 1 1 1 1 1 1 1 4294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2759 1 1 1 1 1 707.4807 *707.4816* C36 H69 N O12 129801 126914 129039 127325 127659 128338 124313 120922 119340 121925 120352 120481 125741 123407 120203 119956 119225 115352 121863 119134 119353 119543 118659 119248 115664 115732 117413 115754 114773 110814 121568 115358 112088 114096 113437 115943 110935 110689 109724 113510 112805 108929 111749 110316 108327 95748 90124 89481 87364 83169 83970 83617 81784 79310 79761 79086 73685 76878 76949 78220 76086 73401 76591 76887 74299 75069 73330 73196 76346 72507 71934 70934 74413 74418 73481 73391 71263 72458 70890 71946 73689 73385 56742 67514 66130 70917 66741 68939 67127 70817 707.4816 *707.6254* 707.6254@0.839572 1 3875 1 5322 1 1 1 15423 5765 1 1 2152 3478 2660 2969 3386 5627 6766 1 3092 4586 3494 1 3391 6977 1 1 1 3473 1 1 2333 1 1 1 5513 1 1 5582 1 2565 3245 2895 1 1 1 1 6842 1 6088 3556 1 1 1 1 5455 1 1 1 3676 1 1 1 1 2816 5135 3167 3396 3125 1 1 6206 1 3019 3141 4469 3038 1 6477 6092 1 3272 1 1 3157 1 1 3549 9876 1 707.6254 *708.4379* 708.4379@6.4491653 1 1 2745 2856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1242 1404 1 1 1 1 1 1 1 1 1 1 1 1 1374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 708.4379 *708.4842* 708.4842@11.3754 1 1 1 1 1 1 1 1 1 1 2637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 708.4842 *708.6338* 708.6338@0.8350011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 708.6338 *708.9395* 708.9395@6.451214 1 1 1865 1537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 708.9395 *709.4076* 709.4076@5.3915606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 709.4076 *709.4861* 709.4861@11.342328 1448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 709.4861 *709.6454* 709.6454@0.83771086 1 3103 2357 1 2642 2819 2384 1 1 12972 3152 7837 7190 3189 6864 3531 1 1 1 2936 3476 6669 6962 3273 1 12257 2568 3232 6915 2864 7918 4338 1 2944 2094 2671 3568 3319 3625 3405 2875 3096 2753 2966 2893 10958 2664 1 2499 1 3436 1 1 4658 1 1 2991 1 5066 3410 3219 2802 6943 5671 3826 1 2835 3272 10519 1 3170 1 1 4519 6058 2074 2555 6714 2518 1 3185 3192 3216 2087 3344 3078 2905 3105 1 7077 709.6454 *710.4996* C27 H58 N20 O3 22387 21925 1 22121 23284 20725 22495 21798 23842 23605 23618 22412 23714 22883 22218 22984 21444 21495 18897 20534 19871 20966 21774 21848 1 21362 20027 1 22631 22048 21396 22418 20403 21399 1 1 1 1 20140 1 20030 1 20035 20190 22347 19019 17963 19039 14987 19736 19917 20107 1 21021 17742 19580 6768 18502 18855 1 15178 1 17609 19879 18138 1 1 1 1 1 17521 1 1 1 1 17946 17507 19458 18561 19571 18572 19407 18079 16374 17955 18880 18270 19526 18826 18127 710.4996 *710.5005* 710.5005@14.208641 1 1 22926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21822 1 1 22138 1 1 1 1 1 1 20402 19918 22363 1 1 19234 1 21418 1 1 1 1 1 1 4617 1 1 1 19530 1 1 1 6951 1 1 1 1 1 1 1 1 1 19226 18004 19496 17821 1 17664 16298 19496 16913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 710.5005 *710.5014* 710.5014@14.283986 1 1 1 1 1 1 1 2805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1858 1 1747 1 1 1 2313 1 1 1 1 19772 1 1 1 1838 1 2741 3639 1 1 1 1 1 1 1 2265 1 1 1 4160 1 1 18604 1 17767 1 1 1 18494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2255 1 1 1 710.5014 *710.6165* 710.6165@0.84550315 1 1 1 1 1 1 1 1 1494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 710.6165 *710.6332* 710.6332@0.84000564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2479 1 1 1 1 1 1 1 1 1 1 1 710.6332 *710.6426* 710.6426@0.836511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1554 1 1 1 3284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 710.6426 *710.9985* 710.9985@14.244601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3549 1 11075 1 11244 1 1 1 1 1 11455 1 1 1 1 1590 1 11566 1 1458 1902 1 1 1 1 1 1 1 1 1 1 1 11715 1 710.9985 *711.0001* C26 H17 N O21 S 14600 13895 14800 14511 13994 13897 14369 14680 13684 13835 14020 15026 12470 14969 13880 14115 12750 13863 14845 13278 1 14202 13863 14026 15803 14549 14126 13179 13661 14708 13616 13735 14478 14354 14166 12960 13707 13017 12649 13016 12487 14887 12663 12988 14775 13255 12629 11802 12078 12380 10762 11424 11101 11796 10899 11571 3799 12436 1 11478 1 11766 12546 11239 11714 11631 1 11189 11767 11184 11720 10810 12440 1310 11606 10634 11824 12974 12293 11542 11926 11264 12514 11640 11700 11890 11959 11393 1 10273 711.0001 *711.6612* C44 H89 N O3 S 3390 9179 3623 3496 3675 3209 3946 1 12486 1 8993 1 1 4003 1 1 13929 1 8261 3667 8041 1 1 3560 3981 1 3269 3534 1 8471 1 3571 8423 4125 3325 8526 4045 13254 3821 3226 8265 3832 3773 12605 3133 1 3901 3990 3898 3642 9815 3337 3888 8022 3255 1 3550 1 3374 3362 9955 8274 1 4062 3648 7748 3197 3551 1 8317 3255 11903 1 3735 1 3306 12803 1 3199 1 7705 1 8701 3605 3526 3577 3605 3742 1 1 711.6612 *712.4125* 712.4125@5.6600304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 712.4125 *712.6111* 712.6111@0.8470127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 712.6111 *712.6242* 712.6242@0.8450115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 712.6242 *712.6306* 712.6306@0.8396576 1 1 1 1 1408 1 1 1 1 1 1 1 1725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 712.6306 *713.6591* C39 H84 Cl N9 1 1 8573 3735 10398 8824 8235 1 1 1 1 1 3724 8709 4143 11976 1 6491 1 3772 1 5318 1 7671 11650 1 1 3862 8080 1 10561 3720 1 1 4506 1 4069 1 9752 3544 1 9064 4367 1 3804 1 1 10623 4095 12412 1 1 8365 1 3887 1 3961 4165 4082 3858 1 1 8838 14607 4190 1 8451 3416 1 1 7225 1 3743 5361 1 3638 1 8013 3596 7903 1 3526 1 4089 3717 8110 1 3703 7948 3694 713.6591 *714.6239* 714.6239@0.84101176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2552 1 1 1 1 1 1 1 1 1 714.6239 *714.64* 714.64@0.83820736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2208 1178 1 1 1 1 1 1 1 1 1 2578 1 1 1 1 1 1 1 1 1 1633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1030 1 1 1 1 1 1 714.64 *715.5444* C41 H81 N O2 S3 5475 5230 4975 5020 5414 5876 5210 4959 5525 5010 4602 4907 5002 4558 4781 4627 4000 4431 4633 4826 4792 4615 4728 4123 4598 4664 4688 4881 4852 4564 4404 4630 4155 4535 4567 4661 4644 4929 4709 4980 4894 4323 4496 4613 4694 4903 4289 4316 4110 3805 4339 4188 4459 4103 4053 3827 3043 4584 4139 4020 4141 4051 4391 4115 3891 3973 3417 4301 3746 3989 4733 4059 3963 4005 3756 3936 4743 4366 3998 3535 3482 4280 3869 3845 4072 3791 3654 3738 3534 3906 715.5444 *715.654* C43 H89 N O4 S 7809 7705 1 3659 1 1 1 5141 1 7979 7638 1 3559 1 1 1 1 3861 8100 3627 9826 1 8960 1 1 3433 8370 3611 1 3447 1 4062 5683 7544 6715 3603 4065 1 1 1 1 1 10662 1 4019 4522 6145 1 3920 1 4763 1 1 3721 7600 3545 6845 3064 8050 3512 8611 7918 1 1 3511 3244 1 3374 9156 7209 1 1 7586 3940 1 3532 1 1 3400 1 7340 1 1 3534 1 1 1 5685 1 3012 715.654 *716.6199* 716.6199@0.8422102 1 1 1 1 1 1 1 2587 1 1 1 1749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2602 1 1 1 1 1 1 1 1 1 1 2189 716.6199 *717.6344* 717.6344@0.8430083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5129 1 1 1 1 1 1 1 1 2312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 717.6344 *717.6456* C43 H89 Cl2 N3 1 1 2997 3070 3289 1 5600 3713 6044 1 1 3689 3177 2563 5717 1 2861 2890 1 6207 1 1 1 5761 1 2929 1 2755 2841 3269 1 2780 4566 1 1 1 2463 3832 3203 4774 1 6415 1 2870 1 4021 5516 3014 4480 1 3260 1 3976 6507 1 3051 1 4306 1 2960 1 1 2956 1 1 2673 2532 2488 1 1 2590 3733 1 2511 3073 2836 3108 2214 4712 2168 1 2614 2892 4193 3397 3245 1 5392 2890 2585 717.6456 *718.3269* 718.3269@10.6642065 1 1 1 1 1 1 1 1 1692 1 1 1 1 1 1 1 1 1160 1 1532 1 1 1 1 1 1 1 1609 1 1 1 1 1 1 1 1 1786 1 1259 1 1 1643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 718.3269 *718.5328* 718.5328@14.136419 1 1 1 1 1 1 1089 1 1 3100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2572 1 1643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 718.5328 *718.5864* 718.5864@0.8420143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2506 1 1 1 1 1 1 718.5864 *718.6191* 718.6191@0.8379822 1 2072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 718.6191 *719.6481* 719.6481@0.8446085 1514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3123 1 1 1 1 1 1483 1 1 1 1 1 1 1 1 2246 1 1790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1899 1734 1 1388 1 1 2189 1 1 1 1 1 1 1 1 1 1948 1 1 1 1 1 1 1 719.6481 *719.6609* 719.6609@0.83985174 1 2285 2508 1 1 1 1 1 1 2724 1 1 1 4159 1 1 2640 2670 1768 1 1 1 1 1 1 4986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2022 1 1 1 1 1 1 1 1 1 1452 2115 1 1 1 2566 1 2177 1 2371 1 3033 1 1 1 1 1 1 1 1 2143 1 1822 2230 1 1 2168 1 1 1 1 1 1 1 1 1036 719.6609 *719.665* 719.665@0.8331766 1 1 1 2552 2820 2799 1 2917 1 1 6622 1819 2679 1 1 2466 1 1 1 1 1 1 1 1 2931 1 1 2489 2512 1774 2575 2510 3782 2072 1 1 3006 2471 6487 1 1 1 1 2689 1 1 1 2907 1 1 1 1 2912 1 1 1 2631 2516 2483 1 2623 1 2583 1 1 1 1 1 2269 1 1 1 1 3274 1 1653 1 1 1 2748 1 2653 1 1 1945 2771 1 1 2352 1 719.665 *720.1334* 720.1334@2.9960792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5812 1 720.1334 *720.4969* 720.4969@14.508337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 720.4969 *720.4972* 720.4972@14.789178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 720.4972 *720.498* 720.498@14.566304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 720.498 *720.4984* 720.4984@14.822159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 720.4984 *720.4999* 720.4999@14.767186 1 1 1 1 1 1 1 1 1 4783 7860 1 1 6090 1 1628 1 1 1 1 1 1 12789 1 13620 1 1 1 1 1 4942 14035 1479 1 15272 1 1 1 1 1 5045 8351 9333 1 1 1 1 1 1 1 10911 1 1 1 1 1 1 1 1 1 1 1 1 8320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9874 1 1 1 1 1 13212 1 13190 1 1 720.4999 *720.5014* 720.5014@14.400905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1249 1 1 3897 1 1 1 1 1 1 1 1914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3329 1 1 1 1 720.5014 *720.5019* 720.5019@14.490867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2522 1 1 1 1 1 1 1 1 6590 1 1366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 720.5019 *720.5438* 720.5438@14.125426 1 1 1 1 1 1 1 1900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 720.5438 *720.5881* 720.5881@0.8420136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 720.5881 *720.6341* 720.6341@0.837018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1318 1 1 1 1 1 1 1 1 1 1 1 1 1 720.6341 *721.4891* 721.4891@0.85100645 1 1 1 1 1 1223 1 1 1 1 1 1 1 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1161 1 1041 1 1 1 1 1 1 1 1 1821 1 1 1 1 1 1 1 1 1 1001 1187 1 1 1284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1066 1 1 1 1100 1 1 1300 1 1 1 1 1 1 1 1 721.4891 *721.4962* C42 H67 N5 O3 S 18954 1 1 20556 1 1 19384 1 1342 1 18272 1 1 1 1 1 1 20134 20716 18655 20131 1 19486 18793 1 1 18861 14272 20867 1 18827 1 1 17384 1 1 18084 1 1 1 1 18506 1 1 1 1 1 1 1 1 1 1 15261 16030 1 1 4462 1 1 14767 13843 13783 15074 1 14000 14932 1 1 15501 14075 1 13952 1 14869 1 13178 12958 1 1 1 1 12588 12790 1 12789 11925 1 1 12790 12197 721.4962 *721.4967* 721.4967@11.994627 1 1 21399 1 1 1 1 19905 1 1 1 1 20728 1 1 20353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18388 1 1 18522 1 1 1 17117 1 1 1 1 1 1 1 1 1 1 1 1 1 2871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3927 1 1 1 721.4967 *721.4967* C42 H67 N5 O3 S + 12.028608 1598 19916 2075 2786 19676 19946 1 2950 21298 18818 1 20711 2375 13680 20475 1740 18988 1 1839 1 2056 17277 1 1 22343 19066 1 4985 1 18996 1 17855 19486 1 18818 2298 1 18310 1385 18991 18702 1465 1241 18644 19790 18272 15851 16151 16752 14759 16051 16058 1 1 14598 15379 6810 15897 14445 1 1 1 1 13931 1 1 15051 13601 1 1 12207 1 13021 1 13025 1 1 13017 12606 12586 13158 1 1 13068 1 1 8551 12493 1 1 721.4967 *721.4997* 721.4997@14.571499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 721.4997 *721.5027* 721.5027@14.802371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2093 1 1 1 1 1 1 1689 1 1 1 1 1593 1 1 1 1 1 1 1697 1 2683 1 1 1 1 2722 1 1 3496 1 1 1092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2814 1 1 1 1 1 1 1 1 1 1 1 1 1429 1 1 1 1 721.5027 *721.5034* 721.5034@14.719629 1 1 1 1 1 1 5698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1593 1 1 1 1 1088 1 1 1 1 1 1 1 1864 1 1 1 1 1 1 1 1 1 1 1 1358 1 1 1 1 1 1 1 1288 1 1 1 1 1 3550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 721.5034 *721.5079* 721.5079@14.818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 721.5079 *721.645* 721.645@0.84337 1 1 1 1366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3643 1 1 1732 1 1 1 1 1 1076 1 1 1 1 1 1 1 1 1 1 1 1 1490 1 1 1 1 1 1 1 1 1 1 1 1 2085 1 1 1 1 1 1 1 1 1 1 1 1 1 1698 1 2041 1516 1 1 1 1 1 1 1 1 1 1 1 2712 2060 1 1 1 1 1 1 721.645 *721.6554* 721.6554@0.83801043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 721.6554 *721.6679* 721.6679@0.84200245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2409 2042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 721.6679 *721.6839* 721.6839@0.8316496 1 3379 1 1 3059 3324 3295 3273 2277 4415 1 2652 6819 2600 2957 1 1 1 1 3002 3105 1718 3079 3117 2977 1 2729 1 2947 3239 1 1 1 1 1 1 1 3008 1 2670 1 2428 5776 1908 4607 1 3301 7566 1113 2811 1 1 2728 1 3105 3057 3182 1 1 2869 3006 3382 2696 1 3114 2963 2926 1 1 1 1 1049 1 1 2402 1 1 2766 3034 2742 1 2706 1 1 2755 2718 1 5850 5760 1 721.6839 *721.6956* 721.6956@0.8247535 1 1 4676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2030 1 1 1 1 1 1 4905 1 1 1 1 1 1801 1 1 1 1 1 1 1 1 1 1 1 1 1 721.6956 *722.5001* 722.5001@11.993429 1 1 1 1 1 1 1 1 1 1 1 1 1 7120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 722.5001 *722.5933* 722.5933@0.8390144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1718 1 1 1 1 1 1 1 722.5933 *722.6071* 722.6071@0.8480127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 722.6071 *722.659* 722.659@0.82901233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 722.659 *723.4299* C35 H49 N17 O + 10.023547 3138 1909 3612 3142 2604 2714 2669 3884 3578 3205 3569 3159 1377 1 4485 4098 3123 3639 3344 4104 3782 4239 2476 2374 3985 3708 2474 1 2794 2533 3914 4206 4142 4499 1 2600 1707 1 1588 1 1 1 1 1 2270 2264 2802 1953 1 1 3133 2500 2997 3886 2957 2611 1773 1735 3926 3238 1560 2694 1 1 1236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2553 1748 723.4299 *723.4317* C35 H49 N17 O 2969 3416 3253 3443 2815 3079 3669 2870 1578 2369 2664 2909 2353 2385 3204 4696 3406 2409 3807 3727 3613 3253 3109 3132 4289 3734 2291 5007 3641 3655 4049 4259 3497 2999 3912 1485 2230 2251 1 1 2064 2060 1 1 1954 2121 3389 3752 1166 1348 1853 1978 3197 2763 2859 2952 2095 1910 3567 3722 2906 1920 1 1 1311 1316 1 1 1 1 1440 1 1 1 1 1 1564 1 1 1 1 1 2139 2304 1 1 1 1 1012 1 723.4317 *723.4427* C34 H49 N19 1400 2080 1716 1343 1330 1917 2106 2361 2002 2151 1708 1657 1823 2034 1874 2095 1482 1586 1450 2170 1898 1825 1152 1528 1823 1561 1903 1793 2061 1968 2208 1307 2117 1817 2012 1 2083 1395 1955 1817 1843 1892 1479 1935 1246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1480 1288 1058 1 1 1523 1034 1065 1115 1 1 1 1 1 1 1081 1 1 1 1 1 1079 1 1 1 1126 723.4427 *723.4805* 723.4805@0.8521667 1088 1253 1 1 1283 1230 1 1 1 1 1033 1 1 1 1449 1139 1 1 1111 1 1 1082 1135 1 1 1 1 1280 1 1 1 1197 1 1 1 1088 1 1 1554 1095 1 1466 1 1 1 1 1 1 1521 1 1 1 1023 1 1 1 1 1 1137 1125 1 1 1 1 1 1 1188 1 1 1 1115 1146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1110 1 723.4805 *723.4909* 723.4909@0.85250616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1191 1 1 1 1 1 1 1 1129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 723.4909 *723.6131* 723.6131@0.84399486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 723.6131 *723.6228* 723.6228@0.84401023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 723.6228 *723.642* 723.642@0.8419964 1 1 1 1 1 1 1352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 723.642 *723.6549* 723.6549@0.8445451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 723.6549 *723.6715* 723.6715@0.8439996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2940 1 1147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1248 1 1 1 1 1 1 1 6524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 723.6715 *723.6818* 22:1 Cholesteryl ester 2809 1 1 1 3027 2644 1 3113 1 1 6769 7043 1 2896 3420 1638 1 1 2967 5118 4116 1 1 1 3111 2868 2975 1 1 1 5783 1 3020 2026 1 1528 3164 1 6070 4083 1 3170 1 1 1 1365 3532 1 1 2994 7058 3220 1694 3281 2886 1062 1 1 1 1 3006 3060 2782 3738 1 1 2459 1 1 5266 1 2924 6507 1 1 5314 2980 1 2381 1 2960 2985 1 5459 1 1 1 1 1 6029 723.6818 *723.6929* 723.6929@0.82399005 1 1 1 1 1 1 1 1 2028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 723.6929 *724.5122* 724.5122@11.831814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1180 1 1 1 1 1 1 1 1 1181 1 3488 1 1 1 1 1 1 1 1366 2202 1 1 1 1 1 1 1 1937 1 1 1 1 1 1 2211 1 1 1 1 1 1 724.5122 *724.5137* 724.5137@11.874781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1740 1 1 1 1 1334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1883 1 1 1541 1 1 1 724.5137 *724.5144* 724.5144@11.821392 1 1 1 1 1 1 1 1 2104 1 1 1 1 1 1 1 1 1 1 1091 1 1 1 1 1 1 3548 1 1 1 1 1739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1302 1 1 1 1 1 1 1253 1 1 1 1 1 1 1 2974 6130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4238 2426 1904 1 1 1 724.5144 *725.0142* 725.0142@11.853727 1 1605 1206 1 1 1 1 1 1 1 1 1 4049 1 1 3299 1 1 1 1397 1 1 4392 1 1 2079 3703 1 1 1 2111 1679 1 1 1 1125 5005 1 1745 1 1 1 1 1 3018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1314 1 1 1 1 1 1 2769 1 1 1 1 1 1 1 1 1 1 1 725.0142 *725.0142* 725.0142@11.843235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 725.0142 *725.0146* 725.0146@11.817793 1 1 1189 1 1760 2178 1 1 1 1 1 1 1 3657 1 1 1 1 1 2669 1 1 1 1456 1 1789 1 3190 1 1 1591 1397 1 1 1 1 1 1 1268 1 1 1 1 5314 1343 1 1948 1 1 1 1 1 1 1 1 1 1 1 1434 1228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1617 1 1 1 1 1 1 1 1 1 1 1 1 1 725.0146 *725.4576* 725.4576@14.782344 1 1 1 1 1 1 1 1 3349 1 1 1948 3270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2012 1 1 1890 1586 1 1 2011 1 1 2536 1 1 1 2705 1 1 1631 1 1 1 1 1 1 1 2897 1 1 1 1 3111 1 1 1 1 1 1 1 1 1 2505 1 1 1 3307 1 1 1 1 1 1 1 1784 1793 1 1 1 1279 1349 3440 1 1801 725.4576 *725.6368* 725.6368@0.8460292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1305 1 1 1 1 1 1 1 725.6368 *725.6489* 725.6489@0.8419938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 725.6489 *725.6676* 725.6676@0.8443379 1 1 1 1 3041 1 1 1 2855 1 1 1 1 1 1 1 3040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2205 1 1 2527 1 1 1 1 1 1 1 1 1 1 1 1 1 1254 1 1494 1 2886 2546 1 1 1 1 1 1 5892 1 1 1 1 1 1 3285 1 1 1 2981 1 1 1 1 1 1 1 1 1 1 1 1 725.6676 *725.6707* 725.6707@0.8405036 1038 1 1 1 1 3900 1 1 1 3282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2687 1163 1 1 1 4652 1 3040 1 1 1 1 1 1 2763 1 1 1 2832 3251 1 1 1 1 1 1848 1 1 3757 1 2282 1 1 3830 3368 1 1 2356 3085 1 1 1 1 1 1 1 1 1 1 1 1 3101 1 1 2667 1 1 1 1 1 1019 1 1 725.6707 *725.6742* 725.6742@0.8321525 1 5169 1647 1 1 1 3619 3351 1 1 1 1 2685 1 1 3024 1 6497 2594 1 1 2634 3383 1 3306 1665 3230 1 1730 1 1 1 1 1 1 1680 1 1 1 1 1 1 3043 3048 1 1 1 1 1 1 1 3497 1 1 1 1 1300 1 1 1 1 1 1 1 1 1 1 2905 1 1 2325 1886 1 1 1 1 2855 1 1 3036 2827 1 1 1 1666 1 1 1 1 1 725.6742 *726.3006* 726.3006@4.9107485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1991 2045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 726.3006 *726.6009* 726.6009@0.8399821 1 2301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 726.6009 *726.6117* 726.6117@0.8470037 1 1 1 1 1 1 1 1818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 726.6117 *726.6243* 726.6243@0.8370062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 726.6243 *727.5786* 727.5786@13.777774 1 1 1 1 1 1 1 1 1 1 2059 1 1 1 1 19427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6027 1 1 1 1 1 1 1 1 1 1 16962 1 16604 1 1 1 15737 2678 1 1 2666 15019 1 1 1 14863 1 13213 1 14184 1 1 1 1 1 14597 1 1 13579 1 1 12744 4283 1 1 1 1 1 1 1 1 1 13631 1 727.5786 *727.5795* C43 H77 N5 O2 S 17530 18073 18208 19105 17683 19074 18492 9186 19918 18053 18495 18439 17757 17960 18959 1 15871 16900 16070 11320 11359 17653 17959 17440 18090 18060 18852 17923 17064 17941 18042 17235 17540 18654 17169 9714 17846 17316 16615 17655 18338 17661 16059 17869 17123 22420 1 15185 1 15107 16334 15095 1 13708 14897 15851 6605 1 16134 9908 14395 1 14735 1 14189 1 9560 13605 14204 9592 14869 1 3627 14732 1 9461 14392 1 8516 14241 13938 13533 14156 13974 14781 13464 14666 13678 1 13603 727.5795 *727.6206* 727.6206@0.84700525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 727.6206 *727.6277* 727.6277@0.84402376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1271 1 1 1 1 1564 1 1 1 1 1 1 1 1 1 1 1 1 1 2655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 727.6277 *727.6528* 727.6528@0.8449996 1 1 1047 1 1478 1 1 1 1 1 2306 1 1 1889 1136 1 1 1 1 1 1 1 2409 1 1 1 1 1872 1415 1 1 1 1 1 1 1 1 1 1 1 2719 1 1 1 2114 1 1 1 1 1 1 1 1683 1 1 1 1 1 1 1 1 1 2631 1 1 1 1 1 1 1 1 1 1 1 1 1 1084 1 1 1 1 1 1459 1 1 1 1 1 1 1 727.6528 *727.6594* 727.6594@0.8679997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 727.6594 *727.6611* C41 H86 Cl N7 O 1822 1 1 2838 1362 1166 2919 3225 6034 3002 1 3011 1 1 1 2533 1 1 2500 5267 1 1266 1 1529 2411 3920 2937 1 1 1 1 2628 1193 1 1435 2564 1 1 3516 2711 1 2856 1361 3040 1 1 2945 3013 1 2894 2654 1489 1 5385 1 1 1 1 1 1 1 1 1 3266 3021 1409 1 1 1 2533 2306 1028 1 1 2725 2660 1 1 1 1 2695 2710 1102 1660 2496 1087 1441 2350 2994 2965 727.6611 *728.455* C49 H56 N6 4016 4034 3805 3476 3672 3496 3844 4066 4020 3247 3771 3867 4013 3315 3408 3079 3413 3577 3741 3869 3977 3651 3723 3333 3481 3577 3967 3701 3465 3538 3101 3363 3342 3581 3725 4154 3140 3267 2997 3181 3339 3738 4034 2880 3442 3974 3544 3619 3560 3735 2890 3007 3540 3270 3229 3544 2712 3356 3504 3494 3420 3420 3621 2955 3146 2774 3378 3221 3352 3671 2874 2784 3286 3229 2701 2813 3160 3898 3440 3360 3414 3650 2742 3518 2953 3079 3564 2618 3351 3264 728.455 *728.5827* 728.5827@13.764253 1 1 1 1 1 1 1 5008 1 1 1 1 1 1 1 1 1 1 1 1130 5757 1 1 1 1 1 1 1 1412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1563 1 1 1 1 1 1 1 1 1 1 1499 1 1 1332 1 1 1 1 1 1 2683 1 1 5118 1 1 4937 1 1 3906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 728.5827 *728.5831* 728.5831@13.784838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 728.5831 *729.5641* 729.5641@14.19935 1 1 1 2046 1 1 1 1575 1 1 1 1 1952 1 1 1 2672 1 1 1 1 1 1 1 1 1 2567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 729.5641 *729.6141* 729.6141@0.8450155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2119 1 1 1 1 1 1 1 1076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2249 1 1 1 1176 1 1 1 1 1 1 1 1 729.6141 *729.6285* 729.6285@0.84343725 1 1 1 1 1 1 1 1300 1 1 1 1 1 1 1 1 2130 1 1113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2142 1 1 1 1 1 1 1 1 1 1 1 1284 1 1 1 1 1 1 1 1 1 1 1 1 1380 1 1 1 1 2365 1 1 1 1 1 729.6285 *729.6292* 729.6292@0.84563035 1850 1 1 2117 1 1 1 1 1 1 1 1 1 1 1965 1 1 1845 1 1 1 1 1 1617 2044 1 1219 1 1 1701 1 1 1 1 1 1 1148 1 1 1773 2945 1 1 1 1 1 1 1140 1 1 1 1989 1 1 1 1 1844 1 1 1 1 1528 3556 1 1 1 1 1 1 1788 1 1762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1675 1 1 1 729.6292 *729.648* 729.648@0.84948504 1 4289 1 1 1 1 1 1 1 1 1 1 1 1 1 2142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 729.648 *729.6512* 729.6512@0.8574726 1 1 1 1 1920 1 1 1 1 1036 1 1 1 1 1 1 1 1 1 1 1 1 1057 1 1 1 1 1246 1 1 2196 1 1 1 1 1082 1 2892 1 1 1 2193 1 1 1 1 1 1 1176 1 1267 1 1 1 1 1437 1 1 1 1 1 1 1 2273 1771 1 1 1 1 1 1 1 1757 1231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 729.6512 *729.6717* 729.6717@0.86551154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1300 1 729.6717 *729.7223* 729.7223@0.81800807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 729.7223 *730.4466* 730.4466@6.4937124 1 1 1982 1276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 730.4466 *730.5972* 730.5972@0.8349999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 730.5972 *730.699* 730.699@0.820991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 730.699 *730.952* 730.952@6.490849 1 1 1076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 730.952 *731.4435* 731.4435@12.561946 1 1 1387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 731.4435 *731.5099* 731.5099@0.84366924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1300 1 1 1 1 1 1 1 1289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 731.5099 *731.5194* 731.5194@0.84433293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1249 1 1 1 1 1 1029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 731.5194 *731.5266* 731.5266@12.518016 1 1 1 1 1 1 1161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 731.5266 *731.531* 731.531@0.8445085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 731.531 *731.5364* 731.5364@12.485025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2445 1 1 1 3147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 731.5364 *731.5372* C30 H61 N21 O 6244 5490 5122 5355 5475 5205 4962 5531 5314 5388 5392 5601 5055 5427 5249 4772 2619 5182 5028 5101 2271 5465 5013 5094 4786 4829 4651 4779 5219 5177 5296 5193 5148 5087 4752 5123 5028 4364 3181 4625 3592 4856 4503 3984 4715 4497 4424 3859 3618 2466 4156 4333 4035 4091 3911 4021 3585 3572 3477 2091 3649 3429 3615 3738 3411 3575 3732 3822 3412 3505 3320 3098 3252 3508 3524 2931 3431 3131 3805 3580 3474 3461 3341 3073 3391 3648 1 3164 2949 2521 731.5372 *731.5882* 731.5882@0.8444958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 731.5882 *731.6075* 731.6075@0.8417566 1 1 2128 1 1 1 1 1 1 1 1 1 1 1690 1 1 1 1 1 1 1 1 1 1 1 1 1620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1981 1 1 1 1 1814 1 1403 1 1933 1 1 1 1 731.6075 *731.6211* 731.6211@0.84149766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1550 1450 1 1 2019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 731.6211 *731.669* 731.669@0.85533196 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2266 1 1 1 1 1 1 1 1 1 1 1 1 1118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 731.669 *731.6891* 731.6891@0.8260011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 731.6891 *731.7081* 731.7081@0.82599276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 731.7081 *731.716* 731.716@0.8208633 1443 1 1 1338 1 1781 1578 1 1 1 1 1 1 1 1591 1616 1494 1 1 1 1 1 1 1951 1 1 1 1 1 1725 1138 1 1 1 1519 1 1 1 1 1 1 1 1 1 1 1620 1 1360 1430 1 1 1 1585 1 1 1 1 1 1 1135 1643 1912 1 1 1 1 1 1 1204 1 1727 1 1851 1 1 1 1 1 1 1 1 1 1 1556 1 1 1 1 1 1 731.716 *732.5126* 732.5126@14.178296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18739 1 15481 1 1 15456 1 1 1 1 1 16413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 732.5126 *732.5134* C38 H72 N2 O11 18227 16797 19130 17154 19444 16959 20402 18223 19108 20243 21004 19152 18264 20716 19639 18528 17879 18663 19428 17241 18619 17759 18563 17966 18008 19492 18423 17587 16868 18351 1906 20837 1706 18072 18513 1644 16523 19121 17920 19207 18363 2097 17758 18690 17897 14668 14479 15473 15769 14158 14603 15283 15866 15047 13600 15375 8570 14750 15203 14167 14251 14011 13038 15306 14833 14510 14826 14727 13309 14092 12732 15619 13454 14199 13806 14523 14045 16093 14058 15646 13824 15241 14913 14028 13979 14108 14065 14300 14988 13542 732.5134 *732.5386* 732.5386@12.473242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 732.5386 *732.6015* 732.6015@0.8429992 1 1 1 1 1 1 1 1 1 1 1 1743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 732.6015 *732.6117* 732.6117@0.8429885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 732.6117 *732.7143* 732.7143@0.81998277 1 1091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 732.7143 *733.0123* 733.0123@14.2694645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 733.0123 *733.0126* 733.0126@14.183062 1 1 1 1 1 9598 1 1 10770 9964 1 1 1 10835 10653 10829 9614 1 10166 10639 1350 1 1 11368 11844 10740 1 1 1 1 1 1 9905 1 1 1 9792 1 1 1 11073 1 9946 1 1 1 9611 8939 8875 1 1 1 1 1 1 8752 4733 8749 1 1 1 1 1 1 1 1 1 8588 8542 8865 1 8118 1 1 1 10037 8459 1 9410 8102 9260 1 1 1 1 7922 1 1 9523 1 733.0126 *733.0131* C23 H11 N9 O20 10245 11121 11306 11124 10792 1 10667 10296 1 1 10893 10683 10746 1 1 1 1 9834 1714 1 9436 11307 10887 1 1 1 9726 11264 10512 12240 10913 10682 1 10586 10824 10187 1 10548 9959 10650 1 9650 1 10640 11938 9950 1 1 1 7196 8691 8142 9192 9530 9244 1 2497 1 8994 9104 8755 8807 8257 9675 8065 8990 10344 1 1 1 8409 1 9022 8890 8770 1 1 8211 1 1 1 8139 8811 8659 8455 1 9432 8614 1 8561 733.0131 *733.5126* 733.5126@0.8440701 1 1 1 1070 1415 1 1 1 1 1 1 1 1 1 1 1283 1 1078 1 1 1082 1 1 1074 1 1 1 1 1291 1 1 1 1215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1304 1075 1 1 1 1 1 1 1 1000 1 1279 1 1 1 1 1 1 1 1 1 1107 1 1 1 1 1333 1 1 1 1 1 1 733.5126 *733.535* 733.535@0.84357876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1318 1 1 1 1 1 1054 1 1 1 1 1 1 1 1 1 1158 1 1 1 1 1 1 1 1 1 1 1 1 1060 1 1 1 1 1 1127 1017 1 1 1 1 1 1 1 1 1255 1 1 1 1 1 1 1 1 1 733.535 *733.5457* 733.5457@0.8420056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 733.5457 *733.5779* 733.5779@0.8430089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 733.5779 *733.5933* 733.5933@0.8416744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1909 1 1 1476 1 1 1 2689 2624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3955 1 1 1 1 1 1 1 1 1 1 3300 1 1 1 1 1 1 1 1 1 1 733.5933 *733.598* 733.598@0.83798176 1 1 1 1 1 1688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 733.598 *733.6074* 733.6074@0.8437208 1 1707 1 1 1 1 1 1112 1 1 1 1 1 1 1 1 1837 1 1 1 1 1 1 1 1 1444 1 1 1 1 2094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 733.6074 *733.6233* 733.6233@0.84032756 1 1 1 1 1 1 1715 1 1 1477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1236 1 1 1 1 1 1 1 1 1 1 1 1 733.6233 *733.6485* 733.6485@0.8470038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 733.6485 *733.7141* 733.7141@0.8243756 1921 1168 1 1 1 1 1 1 1 1748 1 1 1 1943 2156 1 1796 1 2109 2064 1 1 1 1 1883 1 1240 1 1727 1 1 1686 1 1 1 1746 1 1 1 1314 1 1672 1 2145 1 1 1 1 1 1 1 1 1 1 1352 1 1 1 1 1 1 1181 1853 1 1452 1466 1279 1197 1 1 1 1 1 1 1 1 1753 1 1 1 1 1 1 1 1 1 1 1 1 1 733.7141 *733.7181* 733.7181@0.8204677 1 1 1 1 1586 1 1 1 2357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1398 1 1 1 1083 1 1 1 1 1 1 1 1797 1 1 1776 1 1452 1 1 1 1 1 1 1 1 1 1 1 1904 1 1284 1 1 1 1 1 1 2204 1 1 1539 1 1 1 1810 1 1 1 1 1 1 1 1 1 1 1 1991 1 1 733.7181 *734.5286* 734.5286@14.160811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 734.5286 *734.5386* 734.5386@14.16645 1 1 1 2185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 734.5386 *734.5968* 734.5968@0.84399486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 734.5968 *734.6141* 734.6141@0.8402007 1 1 1 1 1 1 1 1 1177 1 1 1 1 1 1 1 1 1 1 1 1 1 1624 1 1 1 1 1 1 1 1 1 1844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 734.6141 *735.5102* 735.5102@0.84449124 1 1 1 1 1 1 1 1 1 1 1 1 1001 1 1 1 1 1 1 1 1 1 1097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 735.5102 *735.584* 735.584@0.8410126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 735.584 *735.6041* 735.6041@0.8413465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8441 1 14740 1 1 1 1 1 1 1 1 1 1 1 1 735.6041 *735.6299* 735.6299@0.8430088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2820 1 1 1 1 1 1 1 1 1 1404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1464 1 735.6299 *735.6376* 735.6376@0.8434912 1331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3350 1 1 1 1491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1642 1 1 1 735.6376 *735.6575* 735.6575@0.84048176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 735.6575 *735.6959* 735.6959@0.823991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 735.6959 *735.7071* 735.7071@0.82454246 1 1 1680 1 1 3171 1 1761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2072 1 1 1 1 1 1 2187 1 1880 1 1 1 1441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1474 1 1 1794 1 1 1850 1 1 2168 1239 1 1 1 1 1 1590 1 1258 1 1 1 1 1336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 735.7071 *735.717* 735.717@0.82301456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 735.717 *736.6187* 736.6187@0.8379853 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 736.6187 *737.5923* 737.5923@0.84100986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1379 1 737.5923 *737.6153* 737.6153@0.8424661 1 1472 1544 1 1643 1 1 1 16102 12416 1 1807 1 1 6923 1 1 1 1 1511 1 1457 1 1 1 1 1 1 1 1 1704 12077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17093 1 1518 12056 1583 1 1280 1 1 14697 1 1 1919 5346 1 1 1 1055 1 1 2621 1 5607 1 1 1 1 1830 12798 1 1 1 1 1 1 1 1 1 737.6153 *737.6227* 737.6227@0.8414425 1 1 1 1 1 1 1557 1 1 1 1 1 1 1 1 1583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1624 1 1 1 1 1 1 1 1495 1 1203 1 1 1 1 1 1 1 1 1 2037 1 1 1 1 1 1030 1125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1151 1 1 1 1 1 1 1 1 1 1 1 737.6227 *737.6572* 737.6572@0.8339758 1 1 1 1 1 1 1 1 1 1 1 1 1 1637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 737.6572 *737.6673* 737.6673@0.8329899 1 1 1 1 1 1 1 1 1093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 737.6673 *737.6839* 737.6839@0.82301104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1184 1 1 1 1 737.6839 *737.6939* 737.6939@0.8240041 1 1 1 1 1 1 1003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1264 1 1 1 737.6939 *739.4558* C36 H69 N O12 S 1 1 1 1 1 12273 1 1 1 1 1 1 1 1 1 1 1 7288 9755 10145 6412 5936 1 1 1 1 1 1 1 8369 1 1 5462 5519 7044 7433 1 1 1 1 8728 1 13632 1 20006 1 1 8450 5957 6397 3706 4133 8636 8699 4147 4538 5210 1 3862 4081 10174 1 1 6619 1 1 1 3252 1 1 1 1 4810 4519 1 4455 1 1 1 1 4429 4479 4089 3927 6532 6098 4726 1 3882 3270 739.4558 *739.5418* 739.5418@0.8435002 1 1 1 1 1 1 1 1 1 1705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 739.5418 *739.5535* 739.5535@14.138945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1479 1 1 1 1 1 1 1922 1 1 1 1 1 1 1 1 1 1 1 1 2279 1 1 1759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 739.5535 *739.5557* 739.5557@0.84318537 1 1275 2462 1254 1883 1240 1393 1 1 1 1 1 1 1478 1 1 1327 1540 1169 1 1 1172 1 1 1 1 1 1497 1 1120 1357 1 1 1375 1 1 1 1 1414 1592 1 1 1330 1 1 1 1 1 1858 1 1 1 1805 1 1 1 1 1 1226 1 1 1 1277 1 1 1125 1599 1 1 1165 1 1311 1 1 1615 1 1 1612 1 1 1 1813 1 1 1 1276 1 1425 1395 1422 739.5557 *739.5619* 739.5619@14.137069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 739.5619 *739.5635* 739.5635@0.84336287 1 1 1 1 1 1 1 1 1 1 1401 1 1131 1 1 1233 1 1 1 1 1103 1 1 1 1 1 1427 1 1 1 1 1 1 1 1 1 1 1567 1 1 1 1 1 1 1781 1541 1 1 1 1 1 1 1 1 1 1 1 1 1 1704 1 1 1 1 1 1 1 1 1 1 1352 1 1 1 1 1 1 1 1394 1 1 1 1 1 1 1 1 1 1 1 739.5635 *739.5687* 739.5687@0.84261703 2173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2432 2274 1 1 1 1 1075 1 1 2099 1373 1 1 1 1368 1 1 1 1144 1059 1 1 1 1 1426 1486 1 1531 1 1 1 1577 1 1 1140 1843 1 1 1 1 1 1359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1304 1 1 1703 1 1 1 739.5687 *739.5727* 739.5727@14.137597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1485 1 1 1 1099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 739.5727 *739.5861* 739.5861@0.84199446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 739.5861 *739.597* 739.597@0.8440051 1 1 1 1 1 1 1 1371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1524 1 1 1 1 1 1313 1 1 1 1 1 1 1 1 1697 1 1 1 1 1 1 1 1 1 1 1 1 1 739.597 *739.6079* 739.6079@0.840991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 739.6079 *739.6211* 739.6211@0.84899193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 739.6211 *739.6374* 739.6374@0.83799976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 739.6374 *739.6817* 739.6817@0.8319739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 739.6817 *739.6966* 739.6966@0.8329808 1 1 1 1 1 1 1045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 739.6966 *739.7072* 739.7072@0.8240181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 739.7072 *739.7276* 739.7276@0.8229989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 739.7276 *739.7405* 739.7405@0.81700325 1016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1088 1 1 1 1 1 1004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1040 1144 739.7405 *740.4138* 740.4138@6.709199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2358 2666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2491 3432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 740.4138 *740.6048* 740.6048@0.84649277 1 1 1 1 1 1 1 1 1 1 1 1 2508 1 1 2255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2135 1 1 1 2295 1 1 1 1 1826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2417 1 1 1 1 1 1 740.6048 *741.5532* C38 H81 Cl2 N5 O2 S 2315 1 2377 2170 2211 1717 1652 2043 2051 1918 2295 2255 1 1770 2100 1848 2441 2339 1658 1794 2059 2190 1 2523 1 1 1851 2068 1904 2012 1 2154 2003 1530 1 1965 2226 1 2145 2293 2218 2222 1 2178 1 2268 2347 1 2870 2572 1 2409 2651 2185 1 1853 1582 1865 1 1 1 2295 1 1895 4621 1995 2047 1 1 1772 2197 2445 1998 1980 4353 2046 1991 1913 1 2262 2311 1910 2145 2477 1 1755 2157 1888 1996 2060 741.5532 *741.5615* 741.5615@0.8432086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2287 1 1 1 1 1 1 1 1 1 1 1 2185 1 1 1 1 1 1 1 1 1 2016 1 1 1707 1 1 2214 1 1 1 2018 1 1 1 1 1 1 1 1 1 1 1 1 1813 1432 1 1 1 1 1 1 1 1 1 2259 1 1 1 1 1 1980 1 1 1 1 1 741.5615 *741.5944* 741.5944@0.8440062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 741.5944 *741.6223* 741.6223@0.8340101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 741.6223 *741.7444* 741.7444@0.8190004 1 1 1 1 1 1 1 1135 1 1 1406 1 1 1 1 1 1372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1152 1 1 1 1 1 1 1 1 1 741.7444 *741.755* 741.755@0.8162035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1199 1 1128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1181 1 1 1 1 1 3052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1353 1 1 1 741.755 *742.5994* 742.5994@0.84550846 1 1 1 1 1 1 1 1498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 742.5994 *743.5359* 743.5359@0.8469906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 743.5359 *743.5395* GPEtn(18:1(11Z)/18:1(9Z))[U] 2444 1993 2193 1796 1790 1 1935 1389 2064 1901 2045 2125 1955 1903 1906 1943 1683 2095 1 1 1977 2085 1 4277 1887 1946 2286 2331 1925 1 1929 1 3953 1 1767 2327 2161 1 2118 1949 1 2065 2126 2119 1775 2000 1 1 1 2209 2058 1 1 2082 1 1839 1887 2060 2222 2059 2033 2117 1822 1696 1 1977 3936 3582 1 1679 1750 2107 1 1776 1 1811 1719 2128 1778 1992 1801 1951 2572 2156 1779 1992 1781 1 1472 1903 743.5395 *743.5582* 743.5582@0.8418496 1 1 1 1 1 1981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2008 1 1 1521 1 1 1 1 1 1 1 1 1 1 1 1 1 1807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1141 1 1 743.5582 *743.5745* 743.5745@14.870203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2023 1 1 1 3165 1775 1 1 1 1 1 1 1 1 1 1 1 1 1 5609 1 1034 1 1 1 1 1 1 1080 1 1 1 1 1 1 1 1175 1 743.5745 *743.5752* C35 H73 N11 O6 52685 54275 58368 54439 58529 53890 57762 55368 58680 57180 56123 57291 57535 59869 57862 57813 55631 54514 56389 55319 54393 53468 57953 57356 56491 56004 54363 57168 56359 56492 59868 54022 57692 56656 55995 55548 54127 56058 55781 57061 55987 52281 58907 54038 65330 60067 56733 54138 54142 57492 55848 55198 54987 53312 53822 56692 49449 54507 55965 53264 51722 51505 51625 54775 51195 52870 50343 50529 51009 56221 52824 47781 51394 52753 52693 54361 51229 49979 52037 52904 54311 54160 53966 51050 54381 51210 55849 53192 52697 47497 743.5752 *743.6053* 743.6053@0.8435022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 743.6053 *743.6193* 743.6193@0.8440062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 743.6193 *743.6323* 743.6323@0.8355073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1099 1 1 1 1 1 1 1 743.6323 *743.6528* 743.6528@0.83999056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 743.6528 *743.7361* 743.7361@0.8213707 1 1 1 1 1 1 1 1450 1 1 1 1 1 1704 1216 1 1 1 1 1186 1 1 1 1 1 1 1 1 1646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1248 1 1 1 1190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1288 1 1 1 1 743.7361 *743.741* 743.741@0.81833917 1 1 1 1 1167 1 1 1 1 1 1 1 1 1 1 1 2941 1 1 1 1192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1390 1 1 1 1701 1 1 1156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1182 1117 1 1 1 1 1 1 1545 1 1 1 1 1 1 1 743.741 *744.3894* 744.3894@13.141446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12192 1 1 1 12299 1 1 1 1 1 1 1 11721 1 11956 1 1 12798 1 1 1 11806 1 1 11623 1 11317 1 1 1 12025 1 1 1 1 1 1 1 11867 1 1 4225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11149 1 11695 11545 1 1 744.3894 *744.5825* 744.5825@14.810198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 744.5825 *744.6249* 744.6249@0.8389992 1 1 1 1 1 1 1 1 1 1 1 2179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 744.6249 *745.3934* 745.3934@13.141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 745.3934 *745.5387* 745.5387@0.8422757 1 1 1 1591 1604 1 1591 1 1 1 1 1 1 1 1 1397 1 1 1 1 1 1 1 1 1 1 1498 1 1 1 1 1 1 1 1 1 1 1 1155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 745.5387 *745.5486* 745.5486@0.8430744 1454 1861 3367 1 1 1621 1 1148 1431 1458 1476 1468 1495 1544 1515 1 1722 1250 1 1180 1 1589 1533 1 1396 1136 1 1736 1482 1 1032 1476 1 1273 1 1 1 1 1 1054 1 1028 1791 1168 1 1523 1261 1 1 1680 1 1568 1 2654 1046 1 1358 1493 1 1434 1 1 1048 1 3318 1263 1 1 1834 1248 1174 1253 1 1377 1368 1 1600 1154 1 1060 1312 1489 1 1 1349 1511 1207 1418 1563 1321 745.5486 *745.5586* 745.5586@0.8420018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2008 1 1 1 1 1 1 1 1 1 2466 1 1 1 1 1 1 1 1 1 1 1613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 745.5586 *745.5805* 745.5805@0.83901423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3137 1 1 1 1 1 1 745.5805 *745.5816* 745.5816@14.772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 745.5816 *745.5977* 745.5977@0.8380077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 745.5977 *745.6107* 745.6107@0.839988 1 1 1 1081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 745.6107 *745.6343* 745.6343@0.83601046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 745.6343 *745.6441* 745.6441@0.8300183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 745.6441 *745.7063* 745.7063@0.82601225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 745.7063 *745.7327* 745.7327@0.819941 1 1 1 1052 1541 1 1 1 1 1 1 1401 1481 1 1 1 1 1 1444 1 1006 1 1 1 1 1 1 1 1 1380 1 1 1419 1 1 1134 1 1 1691 1 1 1 1611 1 1 1 1 1498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1543 1 1 1 1 1 1 1 1 1597 1 1 1418 1 1 1 1 1 1 1 1 1040 1 1 1153 1 745.7327 *745.7424* 745.7424@0.82000357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 745.7424 *746.5276* 746.5276@11.726905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1080 2736 1 1 1833 1 1 1 1 1 1 1948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 746.5276 *746.5676* 746.5676@0.8420022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 746.5676 *746.5951* 746.5951@0.8570156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 746.5951 *747.028* 747.028@11.740635 1 1007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 747.028 *747.5637* 747.5637@0.8427623 1 1 1 1550 1599 1420 1 1 1 1 1 1 1 1 1464 1549 8804 1 1 1 1231 1 1 1397 1397 1 1393 1 1 1 1354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1192 1195 1 1 1206 1 1 1 1 1 1 1 1 1 1 1 3546 1303 1 1 1 1 1 1 1 1 1 1 1 1071 1 1 1 1 747.5637 *747.5642* 747.5642@0.842374 1544 1 5317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1563 1 1 1496 1 1 1 1 1 1 1 1 1329 1 1 1 1 1 1 1 1 1 1 1 1 1181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 747.5642 *747.5659* 747.5659@0.84109133 1 4929 1 1 1 1 1347 1 1 4368 1253 1554 1 4654 1 1 1 1523 1 1671 1 1721 1468 1 1 1 1 1616 1382 1472 1 4706 1373 1 4483 1345 1 4462 5087 2215 1864 1 1 1149 1057 1 1 1328 1602 9115 4964 1 2542 1470 1280 1 1 1 1 1779 1 1 1898 1383 1 1 1270 1553 1 1 8447 1830 1 1 1150 1 1073 1285 1329 1249 5100 1454 1251 1 1 1 1 1213 1705 1 747.5659 *747.5856* 747.5856@0.83886534 1 1 1 1 1 1 1 4239 4613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1425 1 1 1 1363 1 1 1 1 1 1 1 1 1 1 1 1 4247 1730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1435 1 1 1 747.5856 *747.7022* 747.7022@0.82601213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 747.7022 *747.7213* 747.7213@0.82248867 1 1 1127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 747.7213 *749.5731* 749.5731@0.8411923 2237 1 1 6798 1 1 2337 1 1 1 6408 1 2063 1 6846 7019 1 1 1 1 1 2200 10382 1 1 1 6283 1 1 1 1 1 1 1 1 2634 1 1 1 2218 2506 1 2514 1 3019 1 1 1 1 1 1 1 6449 1 1 1 1 1 7383 1 2577 2435 1 1 1 1 2316 1 1 1965 1 1 1 2692 2139 1 1 2206 1 6354 1 2603 2685 6231 1760 1 1 6537 5556 2550 749.5731 *749.5765* C18-Cerebroside 1 1 1 1 2962 6056 1 1 1 1 1 5881 1 1 1 1 1 6778 1 2581 2457 1 1 2796 2102 2717 1 10270 2179 2491 5358 1 6149 2498 1 1 2565 1 1 1 1 2493 1 6132 1 6739 8990 6859 3095 1 1 1 1 3325 5610 2707 2546 9394 1 2660 1 1 1 2262 10965 6160 1 6904 1 1 1 1 2188 1 1 2201 2394 1 6047 1 1 1 1 1 1 6359 2547 1 1 1 749.5765 *750.6119* 750.6119@0.8400036 1 1 1 1 1 1 1 1841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 750.6119 *751.505* 751.505@11.43919 1 1 1 1 1 1 2293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2215 1 1 1650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2869 1 1 751.505 *751.5073* 751.5073@11.443349 1 1 1 1 2469 1 1605 1452 1 2825 1 1 1 1 1 1 1 1 2514 1 2785 1317 1760 1 4571 1 3258 1 1 2443 1 1 1 1 1 1 2808 1 1 1 1 3266 3189 1 1 1 1559 1 1 1 1 1 1 1 2514 1 1007 1 1 5051 1 1 2275 1 1 2184 1 1 1419 1 1768 1 1 1 11883 1 1 1 1 1471 1 1 1 1 1987 2211 1 1 1 1 751.5073 *751.5077* 751.5077@11.279907 99493 98580 103210 99686 101317 96393 97677 99452 99541 94903 98388 97279 96903 96124 94540 89557 92700 92753 92687 95906 90765 92477 92593 93343 88955 95214 89950 91368 88352 90567 85286 90326 88738 90721 85708 83893 87086 83440 85562 87653 84988 83780 85255 84441 84108 78305 72777 68774 67566 67038 66396 62580 64187 61971 62255 63481 59165 63034 60735 61207 59295 59777 60321 60360 60226 56813 60274 58872 60676 57726 57457 57414 55871 59061 46728 58289 55509 55573 60871 55585 55271 55879 54793 55625 54162 55266 56025 54903 51181 57883 751.5077 *751.5698* 751.5698@0.84004337 6880 1 3232 1 3102 1 2783 2935 3597 3598 1 1 4361 1 1 1 1 1 1 3231 6537 3234 1 9219 3070 1 1 1 6389 9375 1 1 1 7605 6891 1 3422 6321 10312 5681 6601 2375 6954 1 2919 1 1 1 7614 1 6653 3433 1 3481 1 2972 7108 1 1 6477 6967 5933 6538 6358 1 1 6361 1 3276 2653 1 3117 3265 6437 6358 3012 6273 5450 1 1 1 6561 3621 1 3115 1 5492 1 1 6754 751.5698 *752.4631* 752.4631@6.534573 1 1 1 1003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 752.4631 *752.5105* 752.5105@11.3416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1429 1 1 1 1 1 1 1 1 1 1 1 1 1 1813 1 1 1 1 1 1 1 1 1 1 752.5105 *752.5801* 752.5801@0.83500946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 752.5801 *752.5957* 752.5957@0.8330162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 752.5957 *753.5677* 753.5677@0.84073573 1 6123 6079 2506 2753 5702 2796 5810 2949 9037 3039 2657 1 2917 3000 5495 2948 2669 8869 2478 1 2523 1 1 5337 2555 8947 1 1 1 2555 4559 3088 1 1 2930 2848 1 1 1 1 2829 1 2588 2372 2622 1 2845 1 6354 1 5714 3222 5531 5094 5730 1 1 12609 1 1 1 1 1 1 2822 1 2905 2727 5172 2605 2263 2711 1 1 4600 1 1 2584 3124 4859 1 5746 5567 2355 2710 1 5024 2801 1 753.5677 *754.525* 754.525@14.153708 12240 12731 11910 12402 12605 11083 12215 1 12285 13158 12921 12537 12456 13137 13287 12363 1 1 11501 1 12516 12609 11915 12785 10650 11579 10602 1 12505 1 12314 11084 11380 12681 11701 1 10111 11957 1 11062 10969 12538 10193 11866 11505 11336 10395 9919 9317 10278 11272 10745 10117 11065 10164 9499 7558 8724 10766 9371 6608 10056 9652 1 9602 10923 9877 8597 9534 9147 1 9531 8562 9699 1 11019 9682 10719 8589 9405 10602 9776 9494 9791 9327 9899 1 9609 9846 8863 754.525 *754.5267* 754.5267@14.164853 1 1 1 1 1 1 1 12330 1 1 1 1 1 1 1 1 11796 10676 1 11046 1 1 1 1 1 1 1 11410 1 11332 1 1 1 1 1 11233 2080 1 10058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2151 1 1 1 1 1 1 8935 1 1 1 1 1 1 9640 1 1 1 10625 1 1 1 1944 1 1 1 1 1 1 1 10395 1 1 1 754.5267 *754.58* 754.58@0.83700114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 754.58 *754.6206* 754.6206@0.8370077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 754.6206 *754.6489* 754.6489@0.8669815 1 1 1 1057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 754.6489 *754.6632* 754.6632@0.87495744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 754.6632 *755.0215* 755.0215@14.216153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 755.0215 *755.0245* 755.0245@14.154676 7629 8008 7974 7848 7593 6840 8006 6574 6896 7701 6731 6976 6308 8237 7520 8159 8055 7225 7169 7450 7228 6949 7128 7811 7851 7526 7756 6916 7369 8576 6820 6312 7772 7080 5115 8100 7262 5900 6817 6573 7561 7575 7554 7468 7066 5964 6835 6316 5589 6314 5793 5619 6135 5636 6850 6258 5721 5638 6087 5908 5705 6254 6427 4978 5509 6153 6082 6139 5165 5621 6481 5451 5932 5952 6107 5822 6033 6101 6363 5693 6453 4991 5543 6147 5030 5448 5240 5859 6106 6214 755.0245 *755.5374* 755.5374@14.170832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 755.5374 *755.5683* 755.5683@0.8409668 2356 1 1 2799 2257 1 4582 1 2112 1 2599 1693 16053 1 1746 1 1850 5106 1 2652 2195 1 2161 1 1 2132 1 1939 2701 1 2542 1 1942 2074 2267 11005 2235 1 1 1852 1 2022 1984 1 1 1 2374 2100 2186 1 2317 1 1883 1 1 1 2318 1900 1 2861 1 1885 2021 2102 2399 1464 10150 2132 1 1 1 1992 1923 1931 2204 1 1990 2703 8991 1 1 1882 1 1 1829 1890 1606 1 2040 1804 755.5683 *755.5728* 755.5728@0.8400008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2031 1 1 1 1 1 1 1 4923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 755.5728 *755.7494* 755.7494@0.8189813 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 755.7494 *756.339* 756.339@13.1925335 1421 2104 2047 1827 1472 2127 1549 1710 1612 1508 1851 1890 1882 1548 1642 1461 2085 1 1786 1672 1340 1867 1827 1718 1492 1654 1671 1311 1420 1444 1733 1748 1419 1 1864 1528 1 1036 1208 1152 1722 1702 1 1657 1369 2049 1389 1759 1 1027 1 1 1 1 1213 1176 1 1470 1081 1220 1 1373 1 1031 1 1221 1 1257 1 1 1046 1 1 1 1 1 1 1168 1042 1 1 1233 1115 1 1 1 1 1 1 1 756.339 *756.6475* 756.6475@0.86898375 1 1 1 1028 1 1 1 1 1 1 1 1 1347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 756.6475 *757.581* 757.581@0.8427338 14486 18454 1 1 1 1 1 1 1 1 1 2764 1 14662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1804 1 1 1 1 1 1 1 1 1 1 1 1 7158 1 1 1 14394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11758 1 1 1 1 11955 1 1 1 1623 1 1 12534 1 1 1 1 1 1 757.581 *757.5858* 757.5858@0.84233207 1 1 12911 18254 3125 2586 1 17731 2580 1 14417 1 1 1 3057 12359 2003 1 1 14123 6920 13355 13147 7693 17426 14305 1 11861 11843 11806 11955 1 7747 13899 2530 1 13175 18374 2558 1 2294 12119 14438 12849 1 1 16331 12236 1 14756 2410 7655 2484 11882 2449 1759 8124 3592 1 12388 12564 2031 2592 6522 17358 3165 1 13624 7708 13393 12539 1 16556 1 3069 1 1 1 1 7788 1 11998 19147 1 3015 14613 7382 12639 16969 17310 757.5858 *757.6226* 757.6226@0.87298113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 757.6226 *759.5716* 759.5716@13.6435795 4686 4659 4538 4130 4251 4107 4324 4501 4365 4345 4169 4256 4244 4654 4447 4462 4269 4376 4211 4480 4035 4314 4137 4246 4444 4082 4122 3938 4316 4582 3833 3744 3750 3993 3356 3867 4023 4089 4158 4260 4345 3997 3236 4498 4412 3974 3828 3632 3654 3335 3612 3651 3058 3959 3940 3814 3689 3482 3733 2940 3425 3537 3129 3315 3548 3568 3463 3062 3355 3547 3494 3361 3515 3710 3636 3184 3656 3475 3498 3531 3472 3160 3484 3867 3120 2989 3591 3139 3441 4022 759.5716 *759.5997* 759.5997@0.842209 1 1 1 1 4090 11613 14321 1 1 1 1 11452 1 1 1 1 11545 9893 10368 1 1 1 1 1 1 1 10077 1 1 1 1 1 1 1 15040 1 1 1 12571 11094 14539 1 1 1 1 4155 1 1 1 1 14356 1 1 1 10028 1 1 3913 1 1 1 1 10470 1 1 1 1 1 1 1 1 1 1 10840 1 1 1 1 1 1 1 1 1 1 3713 1 1 1 1 1 759.5997 *761.5958* 761.5958@0.8432345 1 1 1 1 16437 1 1 1 1 1 1 1 1 1 11319 1 1 1 1 1 10005 1 1 10519 1 1 1 1 1 1 1 1 4320 1 1 10954 1 1 1 1 1 1 1 1 4323 10268 1 1 1 1 1 10402 1 1 1 1 9992 12250 11367 1 1 1 1 9877 1 9717 9245 1 4364 1 1 1 1 1 9822 9709 1 1 9108 10012 1 1 1 1 9790 1 8818 1 1 1 761.5958 *762.5813* 762.5813@0.8555108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1595 1 1 1 1 1 1 1 1626 1 1 1 1 1 1 1 1 1046 1 1 1 1611 1514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 762.5813 *762.5914* 762.5914@0.8490039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 762.5914 *763.5914* 763.5914@0.84288186 4111 1 4261 1 1 4438 1 1 1 3868 8995 3331 9799 4182 1 4752 3956 3642 3770 3896 1 3716 8939 1 1 3685 7483 9916 1 3922 3823 1 3928 4438 1 1 9125 1 4344 3682 1 3694 8688 7227 3703 1 1 8248 1 4352 1 1 1 8575 3742 3973 1 1 1 7662 4122 1 3721 1 1 1 1 8862 7736 3560 3961 3585 1 3315 1 1 3951 7661 1 1 3435 8869 1 9656 1 3925 1 3738 1 1 763.5914 *764.5726* 764.5726@0.8685004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 764.5726 *764.5763* Loroxanthin ester/ Loroxanthin dodecenoate 1 2286 2378 2991 1 2110 1 1226 1 1 1 1851 1 2405 2751 2299 2225 2219 1 2358 2039 1 1 2284 1881 2151 1492 1 1 2100 1844 1966 2042 2259 1368 2177 1 2012 2645 2162 2236 2109 1 1341 2265 1 1 1 1 2251 1 1109 1125 1 1 2014 1909 1 1341 1301 1697 1140 1 1 2263 1952 1899 1 1 2004 2231 2284 1 2061 1 2309 2059 1172 2162 1 1955 1 1 1 1979 1830 2061 1 2103 2357 764.5763 *765.5217* 765.5217@12.059748 1 1 1 1 1 1 1 1 1 1 1 2347 1 1 1 1 1 1 1 2550 1 1 1 1 1 1 1 1 1 1 1 1 1 1627 1 1 1 1 1 1 1 1 1616 1 3013 1 1 1 1 1 1 17329 1 1 1 1 1200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13247 1 1 1 1 1 765.5217 *765.5225* GPEtn(18:1(11Z)/18:1(9Z))[U] + 11.980686 20100 21069 1 1560 21966 20692 22175 20461 1 2246 22091 21165 21939 1905 20238 21339 19292 19816 23048 21811 20252 1 1 21133 19978 1 20629 20192 19881 2380 21335 20867 20257 20200 20806 20329 21322 19627 22120 20980 20737 1871 19145 1 19630 19580 17561 16873 18238 17354 1 1 1 1 1 1 5219 17095 15757 16081 15205 15190 1 16585 1 15979 1 15054 14476 1 14653 14382 1 15702 14845 14412 14714 9985 14341 14879 1 1 13462 1 1 14531 13315 1 13561 13527 765.5225 *765.5234* 765.5234@11.97589 1 1 22352 22563 1 1 1 1 21485 22229 1990 1 1 22094 1 1 1 1 1 1 1 20577 20725 1 1 23435 1 1 1 21385 1 1 1 1 1 1 1 1 1 1 1 19150 1 19186 1 1 1 1 1 1 16067 1 18300 17288 17142 16503 8401 1 1 1 1 1 15253 1 15060 1 14684 1 1 15496 1 1 15142 1 1 1 1 1 1 1 14489 14283 1 14327 1 1 1 14028 1 1 765.5234 *765.5867* 765.5867@0.8433329 3372 3006 3137 7930 1 7922 7910 5243 2998 2974 1 2937 1 3036 3336 1 2829 3181 3247 3059 7887 8125 1 6771 6763 7162 1 1 3140 3022 2749 1 3150 3318 3271 2743 1 1 3923 2660 3274 2758 1 1 3042 8029 7092 1 6888 2933 6888 3359 3025 1 2942 2874 2936 2974 3398 1 5978 2790 5991 3232 8268 6756 2957 1 1 7419 2913 2856 6720 2790 7437 3034 2658 1 3153 2691 2352 1 9246 1 6210 2820 2591 2829 7889 7493 765.5867 *766.5254* 766.5254@11.952077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4759 1 1 1 1 1 1 1 1 1 1 1 1 766.5254 *766.5758* 766.5758@0.86520135 2481 2637 2669 1 2392 1 1 1 2973 2364 1888 2281 2468 2072 2434 2586 2266 2283 2245 2220 1 1 1 1768 1 1 2072 2304 2465 2316 1738 2165 2129 2032 1965 2191 2194 1 2521 2235 1998 1 2540 2060 2381 1 1 1 1486 2152 1 1937 2424 2373 2093 2036 1988 2540 2161 1 1255 1596 1271 1389 1 1 2170 2296 2069 1 2243 2276 1 2333 1 2886 2228 2283 2256 2046 2392 5303 1 2418 1452 1988 2466 1807 1 1 766.5758 *767.5591* 767.5591@0.86498487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 767.5591 *767.588* 767.588@0.8442383 1 3331 3345 1 7442 1 1 1 2230 4477 1 5381 4030 1 3167 1 3125 7767 1 2779 1 1 5045 1 1 1 3009 5005 2369 2827 1 2843 1 4394 5797 2474 7367 1 3396 3234 2784 2637 1 4746 1 1 1 4614 1 2537 1 1 1 4549 1 11363 5256 2893 2648 10190 1 4351 1 1 1 1 8053 4638 5649 1 1 2838 1 1 1 1 2762 2169 2753 10878 6361 1 1 5031 1 2672 2595 1 1 1 767.588 *767.5946* 767.5946@0.8390847 2382 1 1 1 1 1 1 1841 1 1 2411 1 1 1 1 6843 1 1 2103 1 1 1 1 1 1 1 1 1 1 1 2978 1 2535 1 1 1 1 1 1 1 1 1 2375 1 1 1 1 1 1 1 1 2918 1 1 2489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2892 1 1 1 1 1 1 1 1 1 1 1666 1 1 1 1 1 1 1 1 767.5946 *768.5661* 768.5661@0.8685065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1434 1 1 1 1 1474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 768.5661 *768.5756* 768.5756@0.86302185 1945 1225 1929 1960 1 1599 1886 1 2129 1 2003 1327 1 1854 2152 1080 2041 1 1962 1 2041 2228 1 1873 1961 1328 1441 1 1758 1883 2022 1827 1805 1 1252 1 1 1 1 1362 1 1880 2011 1 1908 1 1 1 1 1 1643 1876 1649 1 1666 1245 1 1915 1813 1 1 1 1716 1 2168 1131 1 1 1 1822 1 2203 1634 1 1772 2289 1928 1847 1605 1 1012 1 1989 1 1 1909 1894 1420 1781 1734 768.5756 *769.5452* 769.5452@0.86890626 3177 1570 1810 1591 1 2090 1 1 1159 1 1571 1316 1502 1 1 3812 1491 1 1 1 5226 1 1599 4674 1 1 1832 1474 3202 4339 1 1 3677 1554 1 1528 3083 1 1437 1528 1 1387 1484 1 1427 3775 1 1 1554 1400 1 1 1 1 1191 1 1028 1751 1 1 1 1 1150 1206 4824 1 1 1914 1 1 1881 1207 1 1 1296 1 2369 1469 1 1 1 1 1 1 1 1 1 3824 1 1 769.5452 *769.555* 769.555@0.86730945 1 1 1 1 1 1 1 1 1 1247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1273 1 1 1 1 1 1 1 1 1 2949 1 1276 1 1 1920 1 1240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5200 1 1 1 1 1 2611 1 1542 1 1 1329 1 1 1 769.555 *769.5972* 769.5972@0.84099513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 769.5972 *769.6069* 769.6069@0.83574635 11851 2718 2727 2903 1 2672 2788 1 6861 2958 2369 1 3064 3107 1 1 3242 1 2476 3033 5437 3582 2558 2810 3142 10600 2169 2506 2753 5563 2416 2630 7198 2686 1 2625 1 1 3110 2559 1 2550 2791 2708 2763 5882 11070 7482 1 1 2785 2786 1 3565 2761 1 7424 2723 6783 1 2970 3505 5731 2898 2683 3008 1 6304 1 2551 2085 4805 1 1 1 2046 2648 2763 2598 1 1 6664 11695 2388 1 2491 2542 2378 1 7017 769.6069 *769.6163* 769.6163@14.132888 1 3566 1 1 1 1 1 1 1 1 1 1 1 1 2231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2283 769.6163 *770.2278* 770.2278@3.226204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1663 1 1 1 770.2278 *770.5747* 770.5747@0.8568176 1 1404 1588 1589 1 1351 1 1 1 1 1422 1 1641 1560 1 1 1 1 1360 1 1 1312 1 1 1 1 1542 1430 1 1 1 1 1 2493 1 2438 1 1 1163 1580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1194 1121 1 1 1435 1 1 1 1 1 1777 1 1 1316 1601 1357 1 1 1 1 770.5747 *770.5872* 770.5872@0.8450037 1 1 1 1 1 1 1 1617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 770.5872 *771.5256* 771.5256@0.86950177 1 1 1928 1 1 1 1 1 1 1 1 1718 1 2390 1 1 1 1 1 2862 1 1 1 1 1 1 1 1 1 1 1 1 1 1265 1 1 1 1 1704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1585 1 1 1 1 1 1 1 1395 1 1 1 1 1 1 1 1 1 1 1 1 1200 1619 1 1 1 1 1 1 1 1 771.5256 *771.5385* 771.5385@0.8694438 1 1 1 1720 3419 1 1466 1 1 1407 1 1 1997 1 1631 1 1401 1 1 1 1 1439 1757 1 1734 1 2471 1 1 1 1587 1446 1 1 1 1796 1 3141 1 1 1 1 1671 1 1555 1 1 1 1406 1336 1564 1 1382 1 1135 1 1743 1944 1 1 1 1 1 1317 1 1419 1 1 1417 1 1507 2239 1267 1 1599 1 1600 1319 1492 1 1 1 1630 1268 1438 1 1439 1 1 1556 771.5385 *771.5556* 771.5556@0.86750376 1 1 1 1 1 1 1 1491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1751 1 1 1 1 1 1 1958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 771.5556 *771.5954* 771.5954@0.843991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 771.5954 *771.6002* 771.6002@13.624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 771.6002 *771.6057* 771.6057@13.672598 20059 1 18462 21628 20761 13706 20393 21992 20816 18856 20756 20382 1 6752 22031 22794 18256 20129 4602 19962 20784 21632 21570 19981 19675 20643 21604 3961 20881 19946 1 20444 20120 3492 22043 19766 17907 18696 19645 20851 21124 20691 19670 20887 17793 25938 18961 15994 16357 18426 11910 17655 16741 17525 16500 18775 4685 16848 17525 11904 11748 15839 1 16944 16278 16067 1 17064 15808 16333 16610 5828 17754 14871 7012 1 1269 16255 1 4862 1 1 16089 15674 15648 16403 16569 1 16515 15478 771.6057 *771.6062* 771.6062@0.83648723 1 8576 7007 9520 9119 3750 10216 1 1 3634 2633 3183 2567 2768 3320 3040 3537 7252 3042 3106 1 2617 6435 2965 2457 1 1 1 1 1 2808 3363 1 3778 6815 2703 2836 1 9517 5637 3070 3461 3323 1 9951 1 1 1 2824 3278 2957 3580 7849 1 7686 1 1 2994 1 1 7818 2841 1 7480 2440 2771 1 1 2525 2501 5453 1 2762 2925 2750 3464 2652 6922 2717 1 7761 1 1 3487 6379 2820 2586 6887 7418 1 771.6062 *771.6064* 771.6064@13.709435 1 1 1 1 1 1 1 1 1 1 1 1 1 6598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9154 1 1 1 2651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4553 1 1 1 1 15138 1 1 11412 1 1 1 1 1 1 1 1 1 1 771.6064 *771.607* 771.607@13.671701 1 20076 1 1 1 1 1 1 1 1 1 1 22217 1 1 1 1 1 8370 1 1 1 1 1 1 1 1 15901 1 1 20307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4449 1 1 3340 1 1 17961 1 1 1 14986 1 1 1 1 1 1 1 10718 16281 1 1 16341 1 17310 16582 1 1 1 1 1 16530 1 1 771.607 *771.6197* 771.6197@0.83400357 1 1 1 1 1 1 1 3237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 771.6197 *772.5101* 772.5101@0.8622751 1571 1 1 1 1173 1106 1 1368 1 1 1 1 1 1 1328 1 1101 1 1 1 1151 1082 1 1 1 1 1 1323 1236 1 1 1 1 1 1 1044 1 1 1 1221 1369 1 1 1 1 1 1 1 1 1194 1 1 1 1 1 1 1 1 1 1 1 1 1 1496 1 1 1313 1 1 1 1 1 1 1133 1 1 1084 1 1 1258 1 1556 1 1 1 1 1 1 1339 1085 772.5101 *772.5161* 772.5161@0.8590165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1579 1 1 1 1 1 1 1 1645 1 1 1 1 1466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1548 1 1 1466 1 1175 1 1 1 1 1 1680 1 1 1142 1 1 1 1 1 1 1 1 1 1 1 772.5161 *772.5391* 772.5391@0.8530086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 772.5391 *772.5807* 772.5807@0.8440124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1397 1 1 1 1 1 1 1 1 1 1 1 1 1 772.5807 *772.6113* 772.6113@13.65683 1 1 1 1 1 5438 1 1 1 1549 1 1 1 7680 1 1 1 1 8812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1468 1 4586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1510 1 1 1 1 4867 1 1286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 772.6113 *772.6117* 772.6117@13.733198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 772.6117 *773.5219* 773.5219@0.8688342 1330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1433 1 1 1 1 1 1 1 1 1 1374 1 1 1 1 1 1467 1 1 1 1 1 1 1 1 1 1257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1282 1 1 1 1 1 1 1 1 1 1 773.5219 *773.544* 773.544@0.866514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1173 1 1 1 1 1 1 1 1 1 1 1 773.544 *773.5465* 773.5465@0.8680722 1 1 1 1437 1 1 1 1 1 1209 1400 1 1353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1249 1 1 1 1 1 1178 1 1 1 1 1 1 1404 1 1 1 1118 1 1 1554 1 1 1208 1 1727 1842 1 1 1 1 1264 1 1 1 1 1270 1 1 1372 1 1 1 1 1 773.5465 *773.5661* 773.5661@0.86850417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 1490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 773.5661 *773.5926* 773.5926@14.158328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1836 1831 1 1 1 1 1 1 1 1215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 773.5926 *773.5932* 773.5932@0.83800656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 773.5932 *773.6074* 773.6074@0.83845514 1 1 1 1 1 5828 1 6348 10229 6276 2732 6816 6597 5930 6425 6048 3214 1 7538 5928 6608 4069 1 1 9607 1 2638 1 8554 6350 7729 10295 2539 8754 1 5892 9573 6870 1 1 7350 2666 3454 3347 1 8749 1 6596 6777 6523 7685 2608 1 10282 1 6929 2991 1 2546 3574 1 9819 5847 1 9060 3223 5650 6949 2574 8962 1 2220 6350 10016 7092 1 2477 1 2675 5787 1 2519 1 1 1 3188 5649 1 1 3210 773.6074 *774.4904* 774.4904@0.8630535 2713 2760 2754 2547 2897 2835 2059 2388 1942 2654 2247 2510 2932 2599 3154 3014 2232 2503 2224 5901 1 1 2882 2450 2673 2703 2573 2799 2880 2680 2370 2230 2600 2476 2948 2637 2391 2235 3040 2721 2930 2608 2836 2561 2756 2649 1247 1 2928 2631 2363 1 1 1 1485 2277 1961 2392 2497 2644 1998 1711 2030 1 2873 2218 2470 2810 2236 2700 1 2544 1 2367 2419 2479 2199 2850 2032 2417 2638 2842 2809 2104 2272 2387 2248 2411 1743 2009 774.4904 *774.4972* 774.4972@0.8630095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1326 1 1 1 1 2813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 774.4972 *774.6375* 774.6375@0.828013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2922 1 1 774.6375 *775.467* 775.467@12.531454 5890 2347 5620 5888 6256 4073 3768 3448 6104 4095 5639 4117 3536 4525 3518 4652 5011 3499 5192 5274 5617 4519 3852 3669 3274 5205 1474 3683 3047 5546 5336 4648 4630 3999 1678 4994 4373 4000 2243 4652 3699 3277 4523 5365 3843 4020 3156 4899 3891 4464 1006 3273 4567 4016 2009 2957 2618 5049 4923 4628 2976 3179 3815 2795 4053 2793 3141 3112 2765 3664 1 3156 2547 2911 1521 2794 3474 1250 3485 4018 2160 3851 3774 3701 2280 2736 2904 3934 1 2523 775.467 *775.4705* 775.4705@12.498348 1 1 1 1 1 1894 1 2552 1 1197 1 1148 1967 1 2353 1 1 1 1 1 1 1 1 1432 1 1 3581 1 2010 1 1 1 1 1558 3556 1 1 1156 1 1 1226 1380 1 1 1 1 1461 1 1 1 1 1 1 1 2498 1 1804 1 1 1 1414 1 1 1403 1 1 1 1 1435 1 1 1 1894 1 1232 1 1051 1 1 1 1718 1 1 1 1093 1 1 1 1 1 775.4705 *775.5405* 775.5405@0.8645184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1162 1 1 1 1 1 1 1 1 1 1 1273 1 1 1 1 1 1 1 1 775.5405 *775.5549* 775.5549@0.8664914 1 1 1 1 1032 1 1 1 1 1 1 1 1 1 1177 1 1 1031 1 1 1 1 1 1 1 1 1 1199 1 1 1 1 1 1 1 1 1 1 1128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 775.5549 *775.5626* Cerebroside C 5007 4240 4172 4542 4607 4418 4454 4663 4556 3867 3910 3860 4612 3725 4077 4375 4025 3880 4275 3890 4192 4194 4441 3928 4125 4130 4664 4091 3967 3878 3795 4115 4037 4016 3902 4091 3949 3723 3992 4066 3479 3975 4013 3838 3493 2539 3567 3330 3613 3034 3375 3280 2704 3109 2940 3309 2745 3068 3133 2952 2554 2964 3181 2959 2685 2925 2704 2585 2893 2618 2845 2800 2741 2907 2862 2348 2723 3130 2630 3011 2667 2512 3175 2753 1942 2417 2345 2651 2390 2679 775.5626 *775.5674* 775.5674@0.84600735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 775.5674 *775.5924* 775.5924@0.84277177 1 3306 3000 1 1 1 1 1 1 1 3110 1 1 1 1 1 2827 2229 1 1 1 2749 2159 1 1 1 2738 1 1 1 1 1 1 1 2783 1 1 1 1 2511 1 3126 1 2451 1 1 2758 1 1 1 1 2062 2849 1 1 1 3788 1 1 2572 1 1 1 3027 1 2864 1 1 2196 1 1 1 1 1 1 2535 4527 6234 3028 1 2860 1 2472 2849 5715 2744 1 2722 1 1 775.5924 *775.6015* 775.6015@0.8364616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4800 1 7408 1 1 1 1 2708 1 1 1 1 1 5093 1 1 1 2984 1 1 1 1 1 1 1 1 1 1 1 4374 1 1 1 1 1 2636 1 1 1 1 1 1 1 1 1 1613 1 1 1 1 1 1 1 1 1 1 8538 1 1 1 1 1 1 4761 7837 775.6015 *776.2476* 776.2476@3.2367492 1936 1708 2145 1615 1 1 1670 1997 1067 1722 2867 2288 2057 1946 1878 1308 2328 1915 1468 1810 1428 1078 1 1 2374 1661 2249 1103 1541 2326 1811 1801 1697 2100 1682 1608 1 1 1062 1289 1346 1869 1497 1740 1394 1 1618 2226 1890 1931 1115 1556 1919 2075 1 1 1348 1392 1 1534 1274 2153 1347 2391 3416 2905 1 1 3037 2229 1425 1092 2388 2315 1673 1222 1129 1026 1425 1 1786 1511 2079 1990 1167 1153 3348 3683 1 1 776.2476 *776.4692* 776.4692@12.510531 1 2108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 776.4692 *776.4857* 776.4857@0.8627986 3318 3240 3325 3507 3306 3175 2160 2603 3099 3297 2787 3084 3650 2842 3379 3220 2914 3224 2565 1 2971 2995 3444 3026 3044 3176 3659 3121 3448 3059 1 2564 3350 1 2665 3171 1 2735 3572 3465 2771 3068 2930 2915 2867 2905 2587 2385 3046 3378 2498 2856 1 3041 3040 2816 3143 2998 3137 2882 2725 2491 2805 2618 3060 2917 3247 2816 1 3042 3487 3083 2823 2393 3260 3201 3321 2784 2857 2876 2909 3134 2882 2934 2491 1 2465 2927 3122 2613 776.4857 *776.5385* 776.5385@14.127842 8337 7851 1 8159 9307 7984 1 9819 10157 1 1 8554 1 8781 8460 10034 8899 8593 9034 6918 8322 8992 8379 8442 8638 9091 7735 6942 7094 8488 2160 9224 1 10407 1 8462 7181 6636 8956 9909 9140 7244 8767 8492 9462 8476 7702 6372 8694 7493 7677 2993 8257 7706 7529 7306 2275 7884 8749 1479 7174 7421 7155 6964 1 7526 6960 7218 8161 7397 6497 7798 7180 5730 1 7419 7267 7157 7106 7001 6599 1 6675 1 6711 8069 7249 7341 7582 5579 776.5385 *776.5407* 776.5407@14.135395 1 1 8368 1 1 1 7555 1 1 8710 8928 1 8140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6377 1 7914 1 9434 1 1 1633 1 1 1 1 1 1 1 1 1 1 1 1 1 4019 1 1 1 1 4701 1 1 5496 1 1 1 1 7498 1 1 1 1 1 1 1 1 1248 7255 1 1 1 1 1 1 6902 1 6718 1 1 1 1 1 1969 776.5407 *776.6097* 776.6097@0.8369736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 776.6097 *776.6223* 776.6223@0.8370198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 776.6223 *777.0366* 777.0366@14.136272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 777.0366 *777.0391* 777.0391@14.125936 5170 4888 5589 4693 4625 5023 4838 4561 4464 4397 4526 4954 4216 4807 4919 4185 4859 4251 5174 5107 4914 4470 4237 4349 5088 4226 4261 4093 5019 4900 3832 4264 4316 4758 4529 1778 4592 4212 5146 4557 5148 4344 4074 4626 4831 3725 4010 3911 3854 3756 3916 3726 4142 3518 3748 3630 3415 3790 4343 3711 3784 3519 3653 3102 3802 2808 4003 3579 3852 3496 3213 2588 3299 3934 3838 3782 3500 3722 3585 3535 3863 3558 3631 3967 3308 3708 4448 3587 3106 3396 777.0391 *777.4508* 777.4508@0.8529805 3594 3929 3759 3660 3585 3575 2692 3371 3581 3563 3663 2760 1 3489 3313 3739 3486 3173 3321 2386 3582 3319 3754 3553 3552 3189 3608 3459 1845 3778 3558 3412 3410 1 1 3377 3402 3596 3556 3305 2988 3365 3281 3484 3871 3147 3170 2808 3666 3221 2981 3006 3481 3158 1 3067 3404 3052 3489 3539 2847 3000 2982 3231 2013 2849 3444 3018 3159 3316 3269 3310 1 2997 3392 2594 1 3334 3987 3567 3473 3185 3509 3280 3252 3188 3516 3443 3329 3018 777.4508 *777.554* 777.554@14.106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 777.554 *777.5796* 777.5796@0.8410199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 777.5796 *777.5914* 777.5914@0.8440197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1887 1 1 1 777.5914 *777.6006* 777.6006@0.8460875 1 1 1 1 1 1 1206 1 1 1 1 2230 1 1 1 1 1 3164 1 1 1 1 1946 1 1 1 1 1 1 1 1 1 2521 1 1 1 1 1 1 1 1 1 1 2819 1 1 1 1 1 2435 1 1 3176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1398 1 1 1 2236 1 1 3059 1 1 1 1 2943 1 1 777.6006 *777.6145* Glucosylceramide (d18:1/20:0) 2672 2991 5735 2948 2959 2734 1 2534 1 3793 2564 1 1 2708 6682 3048 2722 1 6072 1 1 3081 1 2525 1 1 2045 1 1 2560 2634 1 1 1 2633 5785 1 7017 1 2628 2087 1 2709 1 1 1 5900 3274 2913 1 2511 2978 1 1 1 2325 2801 1 2340 5839 1 1 5751 3316 1 1 3285 7351 4739 1 1 2919 3019 1 2421 1 1 1 2598 1 2404 1 1 1 1 2407 1 1 1 1 HMDB04973 C01190 777.6145 *777.6241* 777.6241@0.8343303 1 1 1 1 1 1 1 1 1 1 1 1 2441 1 1 1 1 1 1 1 2814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 777.6241 *778.4847* 778.4847@0.86304307 1906 1 1 2883 2566 1 1 2112 1 1 2251 2391 1 2396 3120 2342 1 2151 2693 1972 1 2483 1 1 2357 2555 2732 1 2660 2666 1 2444 2666 1 1812 1 1 2327 2645 2671 1 1 1 2647 1786 2041 1 1 1 2486 1 1 2598 1 1 2320 1 2468 1 1 2315 1956 1 1 2825 1 2470 2161 2266 2545 1 2449 1 2577 2710 2578 2574 2691 1 1 2229 2666 2232 1927 1 1 1 2178 2209 2332 778.4847 *778.4897* 778.4897@0.8621239 1 1 2887 1 1 1 2267 1 2495 2649 1 1 2593 1 1 1 2484 1 1 1 2586 1 2606 2669 1 1 1 2713 1 1 2457 1 1 2172 1 2410 2535 1 1 1 2091 1 1 1 1 1 2142 2183 2319 1 1555 2131 1 2499 1 1 2234 1 2471 2448 1 1 1556 2193 1 2378 1 1 1 1 2521 1 2199 1 1 1 1 1 2024 2265 1 1 1 1 2278 2134 2278 1 1 1 778.4897 *778.601* 778.601@0.84100574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 778.601 *778.6283* 778.6283@0.83101237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 778.6283 *779.4412* 779.4412@0.85288185 6577 6736 7120 6861 7094 6996 6216 6452 7018 6101 6445 6492 7032 6722 7255 6403 7094 6517 6158 6274 6570 6477 7386 6596 6341 6183 7099 6794 6718 6374 6322 6325 6807 7439 6169 6613 6272 6331 7767 6556 6104 6132 6711 6662 6296 6583 5803 6058 6832 6825 5802 6347 6817 6049 5454 5853 6637 6206 6461 6707 5787 6042 5942 6455 6368 5965 6388 5947 6064 5979 6390 6655 6085 6348 6515 6597 6325 6592 5723 6079 6233 6243 6787 7043 5804 5942 6569 6289 6005 6300 779.4412 *779.6308* 779.6308@0.8357682 1 6079 1 1 1 6409 1 1 1 1 1 1 1 2565 1 1 2949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2560 1 1 2646 1 1 1 2703 1 1 5791 1 3025 1 2676 1 1 1 2902 1 1 1 1 2685 1 1 1 1 1 2393 6124 1 1 5367 8888 1 1 1 2796 1 1 1 6195 1 2737 1 2722 2387 1 3754 1 3134 2572 1 1 1 1 2197 1 779.6308 *779.6356* 779.6356@0.8336769 2647 1 1 4959 2647 1 6579 2718 2867 2290 2950 6002 2295 1 1 2683 1 6121 1 1 1 6260 2794 2813 1 3039 5382 1 2751 2479 5998 1 6236 1 1 1 2904 1 1 5776 2971 1 1932 1 1 1 1 6505 2857 1 2629 1832 6491 3013 1 9219 6102 1 2294 1 1 1 1 1 1 1 2728 1 1 1 1 6148 2629 1 2440 1 8649 1 1 2262 1 1 1 1 1 2461 2218 2587 1 1 779.6356 *780.4905* 780.4905@0.86300254 1 1 1444 1946 1 1907 1308 1 1 1111 1488 1 1201 1443 1072 1 1302 1628 1785 1 1139 1 1262 1391 1013 1700 1 1835 1770 1127 1 1545 1 1128 1369 1 1 1 1274 1480 1036 1 1 1 1 1 1 1 1 1 1 1 1635 1 1 1 1201 1170 1 1 1 1 1 1 1266 1246 1 1 1 1 1215 1531 1510 1064 1 1348 1443 1 1 1 1697 1317 1320 1402 1 1 1180 1 1185 1256 780.4905 *780.4949* 780.4949@0.8607372 1 2046 1 1 1 1 1 1 1354 1 1 1 1 1 1 1 1 1 1 1619 1 1 1 1 1 1 1 1 1 1 1260 1 1 1 1 1 1 1098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1098 1 1 1 1 1 1 1389 1611 1006 1 1 1 1 1 1697 1 1 1 1 1 1 1 1 1 1 1486 1 1 1 1 780.4949 *780.5204* 780.5204@0.84300625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 780.5204 *780.6211* 780.6211@0.83002174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1947 780.6211 *781.4369* 781.4369@0.85257065 8508 8608 8250 8079 8192 8238 7475 7201 7687 7634 7658 7629 8109 7825 8192 7973 8172 7437 7600 7131 7744 8014 8047 8383 7817 7758 8392 8211 7631 7748 7871 7903 8272 7905 8317 7761 7775 7802 8613 7614 7216 7409 7923 7660 7327 7324 6617 6892 8016 8317 7173 7208 8405 7462 7082 6623 7621 7888 7623 7548 6695 7003 6343 7246 7783 6907 7497 7562 7193 7288 7486 7960 7238 7212 7958 7737 7253 7253 7022 6978 7424 7496 8218 7983 7226 6770 7160 6919 7654 6802 781.4369 *781.6437* 781.6437@0.83508545 2824 1 3275 1 7442 1 1 3461 3374 2720 3028 1 3180 7008 7347 1 3210 1 3202 5196 6375 1 2759 3137 6228 2982 1 6013 2873 2078 1 2337 1 3225 6215 2898 3232 3167 2880 1 2999 1 3135 3136 2948 2738 2896 1 7020 2933 3128 2966 1 2940 2785 1 1 1 2869 3209 1 1 2508 2917 1 1 2872 1 5623 2952 1 1 2925 1 6375 2546 1 2807 2612 2509 2111 2778 3468 2995 5889 6351 2485 3109 1 6409 781.6437 *781.7124* 781.7124@14.140301 1 3194 3527 2155 2104 1 4025 1 4764 1 3835 2214 4294 4579 3887 7440 2194 3034 4057 7645 1 5186 1 1 8603 6266 8097 6763 1 6330 1 1 1 1 1 1 6471 1 6207 8483 8248 1 7225 1 7326 3424 6517 2195 1 1724 4423 1 1 3123 1 3079 1274 1 7050 4499 1 1 1 1 3613 1 1 7453 1 5676 1 1 3973 1 1 3818 2921 2968 1 1 1 1 1 1 1 1 1 1 1 1 781.7124 *781.7133* 781.7133@14.14391 4089 1 1 4067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6184 1 5325 5656 1 1 1 1 7319 1 7587 7624 7609 9753 7880 7330 1 7681 1 1 1 5876 1 5976 1 1 1 1 7241 4773 1 2028 1 1209 1453 1 3135 7339 1 1 7518 7403 4613 4915 1 5547 6904 1 7282 1 3701 4283 1 1 4158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 781.7133 *782.2668* 782.2668@3.2358303 4485 4235 4182 4382 3337 3290 4005 3657 3522 3544 4776 4921 4044 4146 4231 4057 5236 4666 3873 4318 3811 3363 3100 3160 4494 4285 3513 4438 4144 4275 3945 3810 4581 4624 4329 4084 3189 1 3654 4057 4646 4561 4483 3460 3468 3982 4355 4345 4282 4772 3622 3463 4286 4650 3856 3696 3980 4384 3186 3121 3836 4019 4539 4259 5709 5432 3080 2875 4864 4799 3374 3516 4736 4517 4041 4100 3799 3710 2998 2424 3645 3859 4690 4816 3420 3197 5922 6189 2578 3063 782.2668 *782.4816* 782.4816@14.345185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1890 1 1 1 1 1 1 1 1 1 1 1 1 1 782.4816 *782.5232* 782.5232@0.8570002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 782.5232 *782.5346* 782.5346@0.84549564 1 1 1 1 1113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 782.5346 *782.71* 782.71@14.14596 1 1 1 1 1854 1 1 1 1 1 1 1 1 1 1 1 2618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1518 1 1 1 1 1 1 1568 2825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 782.71 *783.4348* 783.4348@0.85255456 6454 6777 6573 6718 6308 6638 5963 5572 6262 6126 5532 5991 6695 6685 6838 5858 6092 6343 6104 5380 6450 6185 6622 6729 5985 6007 6311 6037 5852 6253 6356 6130 6414 7083 6435 6608 6268 5919 7086 6404 6033 6066 5567 5950 5903 5729 5023 5221 6552 6440 5651 6174 6187 5659 5361 5654 1 6116 6150 6292 5407 5100 5116 5476 6080 5798 5796 5640 5451 5758 6027 5960 5622 6239 6235 6097 6056 5678 5511 5621 5535 6411 6358 5785 9512 5964 5449 5948 6083 5796 783.4348 *783.4816* 783.4816@5.584223 3998 4053 1 1 1 1 1 6353 1 1 1 6476 1 1 1 3865 4322 1 1 1 4541 4601 3602 3743 1 1 10783 1 1 1 1 1 4043 1 4591 1 1 1 1 1 1 1 1 1 1 1 1 5390 1 3750 2206 2659 1 1 2602 2472 3127 2894 1 2818 1 6137 5007 4540 1 6345 2257 2202 1 1 1 1 3262 2947 1 2963 1 1 1 1 2976 3104 2770 2757 4004 4346 2901 1 1 2296 783.4816 *783.5763* 783.5763@14.111341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1388 1185 1 1 1 1 1 1291 1 1 1 1481 1 1 1 1 1 1 1104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1173 1 1 1 1 1 1 1 1 1 1 1664 1 1 1 1 1 1 1 1 1 1 783.5763 *783.5891* 783.5891@14.129225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 783.5891 *783.599* 783.599@14.131315 1 1 1 1 1 1 1 1 1 2241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 783.599 *783.6201* 783.6201@14.134354 1 1 1 1 1 1 1 1 1 1 1 1 1 1963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 783.6201 *783.6252* 783.6252@0.83898246 1 1 1 2967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 783.6252 *783.6367* 783.6367@0.8386082 3249 3273 3084 1 1 3049 1 10294 2829 3032 3508 3116 2963 1 1 3080 3727 3474 3302 1 1 3109 3179 3317 1 3056 2726 1 3186 2813 3081 3114 1 3100 1 3283 1 2987 4248 2618 3067 2472 3236 6430 3215 2890 3407 3439 1 3199 2972 3223 2725 2915 2826 1 3014 6554 3062 6952 2990 6399 5700 3353 3059 1 2649 3127 1 2859 2229 1 3215 3013 1 2882 1 3333 3238 2858 5653 1044 3379 3274 1 1 2665 2675 2968 1 783.6367 *784.4384* 784.4384@6.778467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1874 1601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1937 2360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 784.4384 *784.5688* 784.5688@0.84198546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 784.5688 *785.2758* 785.2758@3.2335465 1 1 1 1 1 1 1 1 1 1025 1 1 1 1 1 1 1 1106 1 1 1 1 1 1 1 1 1 1 1 1130 1099 1 1205 1163 1031 1106 1 1 1087 1049 1024 1136 1158 1 1 1118 1179 1086 1004 1191 1 1 1 1 1034 1 1085 1 1 1 1 1047 1129 1 1229 1 1 1 1 1 1 1 1013 1 1 1029 1110 1 1 1 1229 1 1117 1139 1 1 1 1 1 1 785.2758 *785.4353* 785.4353@0.85402006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3546 1 1 1 785.4353 *785.4425* 785.4425@0.85160345 4113 4272 4353 4087 3972 4172 3733 3712 3930 3612 4075 3668 4058 3992 4131 3710 3577 3974 3067 3534 3999 3940 4025 4023 3481 3838 3918 3728 3912 3898 3646 3496 4169 3950 4005 4249 3711 3285 4555 3626 3746 3588 3591 4125 3412 3727 3451 3511 3850 3500 3647 3400 3957 3709 3557 3414 3590 3849 3877 3883 3569 3077 3127 3578 3747 3885 3806 3746 3609 1 3817 1 3458 3478 3928 3703 3956 3650 3406 3345 3476 3674 1 3506 1 3382 1 3523 3344 3583 785.4425 *785.6137* 785.6137@0.8500027 1 1 1 1 1 1 1 1 1 1 1 1 1 2902 1 1 2017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1054 2712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2815 2880 1 1 1347 1 785.6137 *785.6207* 785.6207@0.8460368 3164 3659 5260 1 3211 1544 3168 1 2949 3043 1 2909 3052 1 1440 3240 1197 3204 1 3153 1449 1748 1 1 3141 2611 5710 2941 2853 3073 3014 3096 2550 2724 3312 1 3509 2877 1 1 2640 2916 3062 1 1 2719 1 3305 3254 1 2723 2822 1 3180 3094 1 1 1 1 1 1525 1 1 2956 2776 2920 2914 2864 1355 1 1353 1478 1 3112 2409 2801 3173 5014 2830 1 1 3059 3082 1 1 1 1 2767 1476 3034 785.6207 *785.6319* 785.6319@0.8453215 1 1 1 1785 1 1925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 785.6319 *786.6673* 786.6673@14.138924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1746 1 1 1 1 1490 1 1562 1473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2606 1 1807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 786.6673 *786.6679* 786.6679@14.223044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 786.6679 *786.668* 786.668@14.15592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1775 1 4182 4442 4218 1 1 3664 1 1 2277 2997 3418 1 1817 1989 1 1 1712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2476 1 2423 2687 1 1 1 1 1445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 786.668 *786.6681* 786.6681@14.663004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 786.6681 *787.4574* 787.4574@0.85600907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 787.4574 *787.4685* 787.4685@0.8469572 3372 3297 3140 3550 3073 3433 2933 2851 2894 2775 1 2756 3102 3116 3436 3398 3489 2891 2767 2953 3107 16217 15607 3140 2959 2974 3408 3143 3246 3228 3251 2763 3451 3237 1 3173 3294 3045 3424 2726 1 2671 3338 2935 3033 3029 2592 2957 3058 3518 3119 2583 3497 2779 2927 2886 3096 3619 3037 3377 2519 2969 3008 1 3180 2737 3075 3007 3095 1909 3025 3339 2829 2961 2882 3287 3297 3376 2809 2624 2537 2847 3371 2685 2859 3050 3080 2774 3020 1 787.4685 *787.4811* 787.4811@0.8519913 1 1 1 1 1 1 1 1 1 1 2259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 787.4811 *787.5975* 787.5975@0.83801043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 787.5975 *787.6027* 787.6027@14.701616 57482 54896 55573 54891 58907 57617 57281 57908 58775 57525 56530 58760 58073 56040 59537 60205 52063 53371 54309 56467 54430 53899 57329 58226 51272 55102 59877 55819 56194 58366 54219 54491 58702 56142 54265 54016 54839 54554 61133 57264 57083 55330 61996 53763 62990 56205 59764 54173 54024 56676 50010 56195 51548 55467 54259 51351 44938 51561 51231 54340 51920 48720 53139 50172 49624 51070 52177 50405 52864 52908 50572 50908 51735 52720 51269 52455 51787 51754 53412 54638 52547 52960 54104 54641 53523 55472 53925 53167 52728 52809 787.6027 *787.6042* 787.6042@14.829171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1366 1 1 1 1 1 1 1 1 1 787.6042 *787.6082* 787.6082@0.8470155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2002 1 1 1 1 1 787.6082 *787.6083* 787.6083@14.836274 1 1 1 1 1 1 1 1247 1 1 1 1 1 1 1 1 1 1 1 1 1 4105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4482 1 4748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5812 1 1 1714 1 1 1 1 1 1 1 1 1 787.6083 *787.6212* 787.6212@0.8576336 4524 1991 1 1 2619 1 1 1 2477 2119 1 1 1 1 1 1479 2964 1 2246 1504 2316 1269 1 1 1900 1764 1 1 1 1184 1640 1 1 1 1 1 1 1 1440 1920 1 1 1162 2806 1 1850 2236 1267 1 1 1 1 2998 1 1 1 1193 1 1 1 1937 1 1203 2286 1 2074 2108 1074 1239 1385 2158 1 1106 1 1 1 1 1 1 1 1487 1 1 1 1 1 2228 1 1221 1588 787.6212 *787.6322* 787.6322@0.8428373 1 1 1 2753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1864 1 1 1 1 1 1 1 4926 1 1 1 1 1 1 1 2275 1 1 1 1 2189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 787.6322 *787.6327* 787.6327@0.83830017 1 1 1 1 1 1 2841 1 1 1 1 1 1 1 2857 1 1 3062 1 1 1 1747 2720 1 1 1 1 1 2775 1486 1 3848 1 2730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4611 1 1248 1 1842 1 1 1 1 1 2871 1 1 1 1 1 1 1 1 2805 2636 1 1 1 1 1 1 2590 1 1 1 1 1 1051 1 1 787.6327 *787.6572* 787.6572@0.8250011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 787.6572 *787.6657* 787.6657@14.204938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 787.6657 *788.2857* 788.2857@3.2353325 4413 5119 4298 4096 4367 4190 4318 4584 5463 5829 4733 4170 4889 4682 5370 5384 4307 4452 4864 5964 3873 4070 4488 4515 4968 4645 5427 5059 4709 4598 4640 4455 5347 5052 4510 4770 4748 4037 5402 5148 4659 4777 5104 5385 5801 5674 5784 5698 5671 5553 4217 3850 4611 4396 4771 5044 5031 5061 4210 4615 5055 4960 4950 4499 4723 5036 4705 4727 4799 4689 4852 4854 4981 5403 4801 4889 4936 4559 4448 4001 4966 4865 4978 5318 4807 4930 5024 4613 4279 3322 788.2857 *788.6096* 788.6096@14.807065 1 1 1 1 1 1 1570 1 2197 1591 2233 1083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1533 1 1 1 1 1 1 1 1 1 1 1 1 788.6096 *788.6108* 788.6108@14.789437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 788.6108 *789.4668* 789.4668@0.84602696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3619 1 1 1 1 1 1 1 1 1 1 1 789.4668 *789.4785* 789.4785@0.8442454 3841 4107 4315 3889 11745 4012 3672 3654 3662 11665 3796 3328 3695 3610 4213 3731 3809 3542 3523 3422 3977 1 1 8392 3691 3919 4064 4080 3530 3846 11680 3734 3958 4189 3859 3784 4138 12225 4835 11586 3904 3676 3797 4313 3536 3652 3641 3694 13183 4333 3888 3964 3969 3996 3486 3404 4031 4044 3866 4309 3595 7262 3514 3698 3453 7547 3723 11297 3691 11279 7908 7799 8297 3847 4094 3451 3578 8254 1 3353 8039 3393 8471 11298 3723 3742 3556 7335 3502 3586 789.4785 *789.6056* 789.6056@0.8557481 1 1 1 1 1 1 1 1 1 1 1115 1 1 1 1 1 1 1 1 1 1 1408 1 1 1018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 789.6056 *789.6177* 789.6177@0.852302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1301 1 1 1512 1 1 1 1 1 1 1883 1 1 1 1280 1334 1 1 1 1 1 1786 789.6177 *789.6493* 789.6493@0.84183383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2215 1127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1245 1 1 1 1 1 1 1 1 1563 1 1 1 1 1 1 1 1 1 1 1 1 1 2004 1 1 1562 1 1 1 1 1 1 1 1 1 1 789.6493 *789.6663* GPEtn(O-18:0/22:0)[U] 1 1858 1367 1259 2026 1 1 2539 1893 1 1 1 1 1 1941 1 1 1 1967 1 1 1 1 1759 1 1 1487 1795 1 1440 1688 1 1 2201 1332 1 1900 1 1 1 1 1 1 1 1927 1554 2461 1533 1 1 1 1 1 1 1 1 1683 1627 1551 1 1618 2244 1 1 1579 1745 1911 1 1 1532 1082 1 1 1 1730 1 1 1477 1 1 1 1209 1 1 1 1302 2866 1 1 1 789.6663 *789.6738* 789.6738@0.8257961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1527 1 1 1 1 1 1 1345 1412 1 1 1 1 1 1 1 1 1 3181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 789.6738 *789.6876* 789.6876@0.81998724 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 789.6876 *791.4734* 791.4734@0.84425324 4311 3952 11285 3979 1 4133 9358 3691 3707 1 3773 3770 10911 3677 3505 1 3879 4012 3449 3682 7815 1 1 1 9302 3779 4171 10612 8353 3992 1 3938 3898 4321 3806 8360 7465 1 4271 1 7416 3853 3930 3919 3341 9696 3548 6679 1 7916 3983 7218 4211 3886 3425 3487 3755 3822 3665 3825 3190 1 6718 3517 3705 1 3550 1 7335 1 1 1 1 3591 7340 8131 7503 1 3831 3197 1 7409 1 1 3522 3970 3388 1 6632 3518 791.4734 *791.6406* 791.6406@0.8382476 1 1622 1 1 1 1 1 1 1 1 1 1 1449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1371 1 1 1 1 1 1 1 1 1 1 1 3507 1 1 1 1 1 1 791.6406 *791.6566* 791.6566@0.83258086 1 1 1 1 2146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1071 1 1 1 1 1 1 1 1 1 1 3550 1 1526 1 1 1 1 1 1 2957 1617 1 1 1 1 1 1 1 1522 1 1 1 1752 1 1 1 1 2296 2139 1 1 1220 1 1 1 1 1 1 1 1 1 1418 1 1 1711 1833 1 1 1 1 1 1 1 791.6566 *791.671* 791.671@0.82784384 2126 1 1584 1477 1 1937 1765 1 2203 1856 4347 1 1 1836 2128 1921 4175 1876 1187 1840 1181 1 1 2240 1810 1855 1 2029 1495 2097 4681 1 1 1 1 1 1 1 1 1 1995 4130 2005 1382 1325 1971 1 1 1 1583 1957 2825 1 1 1671 1 1956 1 1684 1 1888 1 1816 1366 1 1 1 1620 1 1702 1432 1 1741 1693 1 1292 1402 1569 1 1780 1652 1 1 1 1459 1805 1 1 1807 1 791.671 *792.5489* 792.5489@0.84198964 1 1 1 1 1 1 1 1 1142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 792.5489 *792.5697* 792.5697@0.8400125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 792.5697 *793.4664* 793.4664@0.8447489 3321 1 1 3148 1 3137 1 4789 5223 1 3229 1 1 3065 3353 3288 3229 2947 5317 2963 1 1 1 5608 1 1 1 1 1 5345 1 2661 1 5736 3010 1 1 1 3105 1 1 2935 3078 2745 2842 1 2676 1 1 1 5290 1 3351 5743 2544 4809 2974 3040 2991 3143 4872 2580 1 2981 5090 5256 5043 1 1 1 3265 2920 2967 2670 1 1 1 1 2904 2949 2938 1 6563 1 1 2589 3082 2555 1 2728 793.4664 *793.5462* 793.5462@0.84348845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 793.5462 *793.6315* 793.6315@0.84001017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 793.6315 *793.6445* 793.6445@0.84001017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1737 1 1 1 1 1 1 1 1 1726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 793.6445 *793.6617* 793.6617@0.8321282 1838 1114 1 1 1 1929 2262 1 1748 1710 1 2035 1888 1 1949 1913 1 2128 1 1750 1805 1557 1 2088 1 1958 1781 1 2134 2043 1 1346 1920 1 1 1838 1 1 1 1684 1 1 1 1 2011 1662 1 2808 1 1926 1 1 1 1215 3963 2058 1883 1 1 1 1716 1 1 2122 1 1 1595 1888 1 1924 1 1230 1917 1430 1075 1625 1860 1 1 1 2049 1 1772 1 1656 1 2538 1 1599 1173 793.6617 *793.67* 793.67@0.8280027 1 1 1813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2180 1 1 1 1 1 1 1 1 1 1 1 1 1 2112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1153 1 1 1 1 793.67 *793.7137* 793.7137@14.143295 7404 7246 10313 6987 10909 7203 10027 5884 1 1 6703 6028 4443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 793.7137 *794.3009* 794.3009@3.234685 1281 1388 1 1319 1230 1399 1143 1342 1652 1846 1334 1238 1358 1386 1662 1786 1162 1274 1544 1613 1200 1422 1735 1419 1392 1386 1378 1358 1408 1595 1353 1271 1954 1863 1664 1526 1545 1600 1576 1631 1582 1433 1673 1535 1988 2195 2054 1902 1633 1699 1472 1394 1468 1373 2084 1875 1813 1506 1663 1753 1726 1888 1885 1691 1327 1365 1716 1655 1291 1252 1763 1898 1503 1465 1458 1292 1725 1653 1484 1536 1803 1559 1793 1647 1662 1839 1155 1097 1458 1445 794.3009 *795.4447* 795.4447@0.86199844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.4447 *795.4608* 795.4608@0.84666544 2489 1 1 1 1 1 1 1 1 1 1 1 1 2379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2178 1 1 1 1 1 2252 1 1 1 1 1 1 1 1 1 1 1 1 1 795.4608 *795.4709* 795.4709@0.8454132 1 2247 1 2039 1863 2207 1 1 1 2119 1748 1 1 1 1 2598 2094 2224 1 1 1980 1 1443 1 1 1362 2226 1 2512 1 2379 2153 2308 1 1 2087 1 2124 2247 2085 1706 1 1669 2334 2232 1 2003 1 2649 1 1 2497 1 1 1817 1 2302 1 1 2297 1 1670 2161 1803 1 1 1 1 2343 1790 1 2133 1 2139 1 2060 1 2349 1 2243 1921 2561 1 2446 2119 2180 1654 2176 1891 1 795.4709 *795.4856* 795.4856@0.84301645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1989 795.4856 *795.5334* 795.5334@11.258252 69002 70417 72777 72089 72021 69676 69544 70088 68906 71191 69059 66793 67078 68497 66933 69780 67373 64898 66528 63669 65464 63737 63794 66585 65389 64356 61888 63948 64787 61489 64902 63210 60698 1292 58986 59160 62167 61715 58898 59983 61654 58098 58820 59721 60987 53375 51349 49093 49823 47974 48577 46498 45866 46126 45719 45891 42568 44755 44015 45772 1 42450 44084 42071 42486 40260 43913 43085 42651 40699 40550 42603 42102 39336 42704 38895 39971 40951 40662 40661 39610 39049 41127 39052 38664 38780 40217 38796 38218 38182 795.5334 *795.5339* 795.5339@11.373972 1 3068 1 1 1 1 1 1 1398 1 1 1 1512 2554 2490 1 1 1505 1 1 1647 1 1 1 3723 1 3182 1 1 1 1692 1 1 62202 1 1 1 1 1 1 1 1 1 1 2857 1 1 1 1 1 1 2045 1 1 1 1 2181 1 1 1 41962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.5339 *795.5425* 795.5425@14.49418 4339 1 3592 1 2419 2652 3821 4253 1 5085 3772 1 1 3825 4298 3423 3011 1 4043 1977 3535 3731 3294 2466 3119 3767 3506 3352 1 1 1 3223 1 4301 1 1 3866 4071 2774 3819 1 1 3168 1 4074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.5425 *795.5435* 795.5435@14.521252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.5435 *795.554* 795.554@0.83900833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.554 *795.564* 795.564@0.8400266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.564 *795.612* 795.612@0.834493 1 1 1 1 1 1 1 1 1 1 1 1 1 1232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.612 *795.6243* 795.6243@0.83799356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.6243 *795.6361* 795.6361@0.83380175 1 1 1 1660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1715 1 1 1 1 1 1 1 1 1564 1 1 1 1 1 1 1 1 1238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.6361 *795.6434* 795.6434@0.8341706 1 1 1 1 1942 1839 1 1 1 1860 1 1634 1 1 1825 1 1 2840 1 1 1684 1 1 1 1 1 1 1 1 1 1002 1 1764 1 1 1 1 1814 1 1344 1 1 1 1 1 1515 1064 1 1 1506 1356 1 1 1 1 1 1 1 1 1026 2021 1 1 1 1 1 1 1 1932 1 1 1 1795 1 1 1 1473 1408 1 1 1277 1 1 1453 1627 1 1 1 1 1 795.6434 *795.6604* 795.6604@0.8333406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1526 1 795.6604 *795.7254* 795.7254@14.139557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3696 1 1 1 6298 1 1 1 1 1 1 1 1 1 3444 1 1 1 1 1 1 1 1038 1 3880 1 1 1 5306 1 1 1 1 1 1 1 1 1 1326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.7254 *795.728* 1-dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol 1 1 1 1 1 1 1 1 5593 4548 1 1 1 4369 1 4977 2822 1 1 6102 4329 5202 1 4533 4660 2250 1 4640 5467 2247 2319 4611 1 2685 2013 4919 5906 5536 5149 5411 1 6831 1 4405 4381 4562 1 4218 5655 1920 2213 4880 5490 4865 1 3800 2505 2609 4127 4132 3966 1 4058 3286 3858 3971 1 1397 1 3225 1 3971 1 1399 3923 3461 4152 3617 4736 5617 1 3531 3426 1 5877 3893 2153 4316 4392 1 795.728 *796.5392* 796.5392@11.333847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1382 1 1 1 1 1 1 1 1 1 1 1 1865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1332 1 1 1 1 1 796.5392 *796.7326* 796.7326@14.141898 1 1 1 1577 1363 1 1 1 1 1 2114 2053 1624 1 2039 1 3057 1562 1 1 1 1 1 1 1 2488 1 1 1 1 2192 1 1 1 2504 1 1 1 1 1 2147 1 1 1 1 1 1 1 1 1 2615 1 1 1 1 1 1 2142 1 1 1 1 1 1 1 1 1414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2331 1 1 2143 1 1 1967 796.7326 *797.4767* 797.4767@0.84801346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1729 1 1 797.4767 *797.4884* 797.4884@0.84110034 1 1 1 2467 1 1 1 1 1 1 1 2626 1 2777 1 1 1 1 1 2739 1 1 1 1 2610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2251 1 1 1 1 1 1 1 1 2435 1 1 1 1 1 1 1 1 1 2483 2781 1 1 1 797.4884 *797.4954* GPP(18:1(9Z)/18:1(9Z)) 2676 1 2409 1 2452 2894 2084 2227 2748 2248 2462 1 2365 1 2883 2420 2274 2325 2385 1 1894 2201 2394 2600 1 2399 1 2476 1 2205 2041 2405 2897 2935 6661 2686 2477 3128 2513 2927 2457 2599 1 2147 1897 2569 2220 2720 2783 1 1 2337 2687 2295 2491 2209 2372 2973 2622 1 1 2526 2161 2650 2051 2393 1 1 2350 1 2442 2181 2061 2285 2065 1 2194 2085 2055 2027 2350 2263 2612 2325 2468 1 1 1 2041 2205 797.4954 *797.6439* 797.6439@0.83400774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1297 1 1 1 1141 1 1 1 1 1 1 1 1 1017 1 1 1 1 797.6439 *797.6554* 797.6554@0.82900566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 797.6554 *797.663* 797.663@0.82733077 1 1 1 1 1 1 1 1 1 1897 1 1 1 1 1 1 1 1 1335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1164 1 1 1 797.663 *797.6788* 797.6788@0.823335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1026 1 1 1 1 1 1 1047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 797.6788 *798.5517* 798.5517@14.091512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2312 1 1 1 1127 2022 1 1 1 1 2919 2804 1 1 1 1 1 1733 1 1 1 1 1539 1978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2845 1 1 1 798.5517 *798.5576* 798.5576@14.105152 3383 4413 4086 3512 3603 3451 3886 4390 2603 3376 3579 4587 5141 5187 6022 5836 3902 4064 5539 4321 5172 5720 1 6250 6114 2270 5507 3936 6809 5580 5689 3657 5339 5341 4842 6306 5073 5719 5728 3763 5185 5490 3661 4642 4132 4869 4382 4216 4890 1325 1464 4559 4814 4594 4291 4444 2890 3982 5342 4593 2188 2493 1667 4244 4584 4470 3532 4876 4217 5128 4800 3367 4437 3114 3586 3876 4925 3052 5238 4893 4693 4148 4144 4591 4061 4261 1429 4397 4398 3795 798.5576 *798.5645* 798.5645@14.1403675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1438 1 1 1772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 798.5645 *798.5666* 798.5666@0.84100443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 798.5666 *799.0504* 799.0504@14.099342 2922 2978 2844 3080 2673 2381 2959 2910 3087 2943 2673 2798 3297 2830 2849 2487 2666 3029 3104 2474 2952 2882 2859 2562 2814 2751 2877 2492 2884 2779 2898 2307 2795 2523 2787 2584 2860 3058 1861 2550 2933 2620 2744 2873 2712 2324 2070 2570 1879 2638 2489 2378 2278 1981 2750 2413 1560 2132 2420 2428 1907 2306 2304 2121 2013 1 1823 2145 2075 2145 2013 2270 2142 2147 1762 2609 2176 2041 2087 2580 2167 2426 2329 1934 2109 2489 2492 2000 2248 2062 799.0504 *799.4973* 799.4973@0.84136456 3966 4086 4026 3950 3767 3470 3330 3749 3562 3881 3795 3148 3515 3705 3639 3683 4015 3578 3483 3443 3608 3572 3849 3912 3422 3544 4008 3434 3827 4005 3434 3428 3222 3683 1 3852 4068 3854 4116 3852 3363 1 3289 3086 1 3213 3661 3950 3815 4008 3556 3789 4010 3606 3594 3259 3656 4051 4067 3719 3224 3329 3382 3545 3705 1 3602 3538 3476 3487 4076 3491 3448 3503 3479 3255 3718 3323 3832 3538 3577 3543 4302 4010 3262 3864 3652 3527 3049 3273 799.4973 *799.5618* 799.5618@14.101445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1951 1 1 1631 1 1225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 799.5618 *799.6842* 799.6842@0.82300174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 799.6842 *799.6945* 799.6945@0.8229807 1 1 1 1 1124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 799.6945 *800.6833* 800.6833@14.128673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 800.6833 *800.6835* 800.6835@14.314171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1759 1 1 1 1300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 800.6835 *801.4981* C16 Sulfatide 3788 4098 3979 3665 3551 3800 3865 3686 3821 3581 3981 3781 3656 3620 3988 6738 4005 3686 3580 3798 3830 3692 3924 3991 3632 3629 1 4028 3901 3932 3884 3554 3845 4197 3791 4050 3791 3285 3820 3760 3346 6063 3975 3722 3410 3501 3695 3991 4338 4199 3489 3505 3912 3957 3480 3337 4107 3616 3720 3621 3560 3358 3549 3589 3829 3362 3616 3410 3469 3719 3710 3713 3163 3686 6882 3819 3357 3011 3781 3942 3503 3692 4190 3636 3447 3542 3369 3535 3566 3395 801.4981 *801.675* 801.675@0.82601017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 801.675 *801.6878* 801.6878@0.826015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1444 1 1 1 1 1 801.6878 *801.6958* 801.6958@0.8216276 1364 1 1 1 1 1 1 1 1 1 1 1 1 1 1027 1 1 1 1 1 1043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1233 1 1 1111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1461 1 1070 1 1 1 1 1 1284 1 1 801.6958 *803.4935* 803.4935@0.8421487 3182 3294 3114 3058 3112 3253 2189 2674 3344 2826 2740 2924 3053 3007 3176 1 2817 2854 2895 3143 2972 2929 3132 3341 2609 2629 3056 3265 3196 3095 2878 2579 1 3425 2588 2940 3122 2784 3166 3195 2619 1 2915 2512 2697 2923 2840 2994 3409 3656 2995 2877 3122 3083 2468 1 3128 2974 2924 3028 2538 2242 2834 2912 2701 2920 1 1 2318 2912 2859 2743 2592 3103 1 2980 2765 3018 2982 2748 2766 2906 3206 2933 2983 3052 2889 2550 2652 2414 803.4935 *803.5883* 803.5883@0.84298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 803.5883 *803.6002* 803.6002@13.606444 3586 3541 3295 3440 3395 3333 3305 2484 3236 3256 3225 2986 3089 3779 3720 3467 3054 3802 3197 2698 3405 3494 3428 3866 3477 3449 3454 3403 3429 3578 3509 2880 3462 3601 3727 3584 3709 3579 3566 3810 3835 3666 3610 3567 3835 3417 2970 3055 3260 3222 3387 3328 3234 2541 3218 3697 3377 2978 3582 2773 3176 2797 3068 2668 3085 3277 3201 2639 2984 3154 2808 3013 2915 2766 3071 3102 2574 2549 3164 2719 2500 2758 2871 2563 3176 2828 2318 2671 2755 2382 803.6002 *803.6701* 803.6701@0.82901186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1128 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 803.6701 *803.6863* 803.6863@0.8235004 1 1 1 1 1 1385 1 1646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1422 1 1 1 1 1 1 1 1014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 803.6863 *803.6994* 803.6994@0.82597417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 803.6994 *805.4922* 805.4922@0.84366417 1 1 1 1 1 1 1 1 1 1 2397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1792 1 2035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 805.4922 *805.5056* 805.5056@0.84244895 2454 2515 2457 2466 2655 2356 2087 2124 2529 2306 1 1875 2267 1897 2398 1938 2216 2277 1 2369 2540 2405 2354 2058 1 1 2454 1 2342 2309 2120 2188 2089 1 2260 5186 3093 2300 2448 3179 2259 2440 2352 2237 2066 2093 1678 5064 2376 2533 2400 2236 2266 1928 1855 1688 1 2264 2111 2197 2356 1966 2047 1692 2277 1951 1557 2422 1972 1984 2858 2567 1 1997 2094 2503 1819 2062 2482 2396 2208 5995 2917 1 2278 1929 1703 2339 2371 2256 805.5056 *806.5706* 806.5706@0.83798975 1 1 1 1 1 1 1 1 1220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.5706 *807.5127* 807.5127@0.84301996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 807.5127 *807.5226* 807.5226@0.84135735 8151 8014 12964 3602 2445 12051 2146 11332 3454 2940 2209 6407 2719 2479 3257 2659 3013 2673 2934 2725 3087 2424 7937 12064 6768 7422 2769 2585 2817 2835 2757 2879 3200 3187 2628 1 1 3010 3016 2839 1 2248 2787 2471 7115 2365 2814 1 3456 3146 3028 1 3331 3028 2344 2444 2676 2602 7156 6974 1 2681 3391 7960 6924 1 2535 2810 2820 2904 7077 2655 2693 1 2723 2560 3359 2946 3247 2869 2655 1 4210 12608 2769 1 1 2518 3423 6473 807.5226 *807.7271* 807.7271@14.141892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3123 1 1 3269 1 3407 1 1 1 1 4005 3978 1 4750 4497 4574 3035 1 4309 4115 4941 1 4567 5696 6117 5520 5115 5138 2395 1 5949 6076 5925 1 4955 1 2863 4372 6014 5218 3618 6301 4296 6165 4773 5031 4807 5301 4304 4326 1 5313 1 3622 1 4467 4577 4885 4633 4274 1 1 807.7271 *809.5272* 809.5272@0.84096235 1 1 1 1 9176 1 7603 1 3591 3903 7847 1 3897 8831 7895 3318 3800 3653 13019 7686 3498 3679 1 1 1 1 3788 3548 3721 3647 3354 8292 3949 8518 1 3729 3745 8012 8696 3454 4066 3579 14255 11510 1 8512 8016 3665 4155 9285 8036 7583 7981 3871 3311 3185 8275 9052 1 1 3403 3322 3539 1 1 1 7184 7344 3239 7872 1 3240 3491 7611 7852 7377 8246 3184 10887 8272 7830 3500 15509 1 3526 7675 3944 7345 7129 1 809.5272 *809.548* 809.548@12.054505 1 1784 2441 1956 1 2349 1 2344 1781 1 1 1 1 1 1 2189 1 1 2292 1 1 1592 1 1 1 1597 2431 1903 1 1 1 1287 1 2103 1 1 1644 1 1 1 2380 2338 1 1 2790 1 1 1 1 1 1492 1 1 1 1407 1 1 1 1607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 809.548 *809.5491* 809.5491@11.941931 19860 21964 21686 23464 24774 22776 21556 22852 22353 24104 23761 25031 22381 22398 23157 23018 21184 20432 21568 20141 22390 21177 20412 21585 22412 21919 20608 21522 20431 20880 22122 20524 21490 20204 20891 20688 22240 21284 20624 20080 20278 19598 21007 20614 20236 18626 18262 17722 18283 18766 17296 18918 19152 18732 18233 19209 15678 13245 17369 17966 16232 16605 15541 15643 16242 16966 16366 16853 16329 16914 16168 15838 16132 16010 3185 16139 15803 15809 15226 13209 15814 15475 14770 14964 14387 14708 14955 15340 15185 13804 809.5491 *810.5514* 810.5514@11.930074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1258 3772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2085 1 1 1 1 1 1 1 1 1 1 810.5514 *811.5232* GPEtn(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))[U] 7047 3964 1 10056 1 1 1 1 3641 7146 1 6692 3745 1 1 6983 7233 3556 1 1 7653 7624 3934 1 3307 3652 17388 7230 3855 10107 3798 1 8012 1 3526 8202 6937 1 1 3735 4121 4419 1 1 3410 1 1 7301 3794 1 1 1 1 3605 2634 6434 1 1 4542 3836 3744 7590 3518 3612 3401 7805 1 1 7098 1 3684 9914 3296 1 1 1 1 6678 1 1 1 7282 1 1 7385 1 3559 1 1 6458 811.5232 *812.5463* 812.5463@0.84033483 1 7981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6731 1 8295 1 1 1 1 1 1 1 1 1 9519 1 1 1 1 1 1 1 7113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 812.5463 *813.5184* 813.5184@0.8412381 1 3099 5846 1 6811 3039 2815 2893 10578 1 5988 1 6326 6101 3163 1 1 3421 1 2625 1 1 3839 9258 9133 9895 1 1 2999 1 8755 8528 1 3080 3091 1 1 3128 13967 3030 8806 5782 1 1 5278 2620 2956 1 3602 3365 3252 6138 14469 17251 2876 1 3010 6730 5802 3269 3076 1 3351 2878 9459 1 5111 8576 1 8792 9454 1 2897 2744 3014 6302 5818 1 1 1 2954 1 1 2656 1 11989 5785 2951 5827 1 813.5184 *814.5423* 814.5423@0.8388065 1 1 1 1 1 1 1 1 1 1 1 7526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10125 1 1 1 3370 1 2953 1 1 1 1 1 1 1 1 1 1 5677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 814.5423 *815.5312* 815.5312@0.84165573 2647 2298 1 1 1 9323 2440 9420 1 2694 1 2264 1 1 2638 1 2116 1 1 11496 2279 2484 10475 1 1 1 1 2322 2224 1 1 1 2351 1924 1 1 2350 1 1 12126 1 1 1 2386 1 2495 2236 2131 6065 2343 12926 1 1 1 1 2775 2683 1 1 2130 2189 2146 3420 2130 1 1988 1 1 1962 1 1 1 12625 1 8348 1 1 2207 2265 3201 8748 2035 1 2405 2407 1 1 12125 1 2067 815.5312 *815.5354* 815.5354@0.84099483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 815.5354 *815.6285* 815.6285@13.661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 815.6285 *815.6326* 815.6326@13.571658 20776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23220 1 21115 1 1 23276 1 23008 1 24036 1 24119 1 1 18791 1 23035 1 23154 1 20873 14504 4248 1 20711 1 20428 22581 1 1 1 1 20373 1 1 19082 19131 19888 18324 17195 18365 1807 18161 20382 1 16205 15461 1 1 1 1 18759 1 15563 1 1651 1 14727 1 15691 11602 1 15265 1 8629 1 1 1 1 2136 1 1 1 14806 5171 815.6326 *815.6334* 815.6334@13.571135 1 20804 23723 22482 25289 22130 14126 23846 25244 25571 24712 22389 23878 23839 23455 1 18309 1 22867 23019 1 23585 1 24695 1 22277 1 23618 21541 1 14189 1 23614 1 23301 1 7264 19229 20275 1 23455 1 1 18609 20874 30920 13649 1 20730 19742 1 1 1 1 1 1 8374 1 1 16499 1 1 18826 18599 19504 18744 1 18627 1 18675 16904 17697 1 17658 1 1 16724 1 17440 2869 19084 19009 16790 17794 14701 19100 16923 16660 1 9809 815.6334 *815.6354* 815.6354@13.640077 1 1 1 1 1 1 1 1 1 1456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1883 1 815.6354 *816.5406* 816.5406@0.841029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7328 1 1 1 1 1 1 1 816.5406 *816.6368* 816.6368@13.552551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3271 3636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 816.6368 *816.6383* 816.6383@13.578125 1 1 1 1 1 1 10119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1895 3615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7416 1 1 1 1 1 1 1 1 1 1 1 1 1 1823 1 1 1 1 1 1 1 1 1 1 1 4444 1 1951 2113 1 1 1 6627 1 1 1 1 1 1 1 1 1 2009 816.6383 *817.5343* 817.5343@0.8400056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 817.5343 *817.5462* 817.5462@0.83994746 14573 3066 10637 13581 2909 1 13265 1 1 2810 17290 10065 1 2822 11916 1 10018 10003 2569 1 14146 13396 1 1 1 1 1 10551 12911 13192 1 1 6656 7499 1 2490 10378 10075 1 1 1 2728 13474 10403 9464 2607 10814 2976 1 7598 1 10318 1 1 10134 9308 13214 1 10382 1 2265 13496 13152 9638 1 2545 1 1 6895 1 1 5623 1 1 1 5941 13378 1 6598 3590 1 9581 13106 2558 12127 1 5885 1 2780 15097 817.5462 *817.6435* 817.6435@13.592758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 817.6435 *818.5382* 818.5382@0.84201056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 818.5382 *819.4902* 819.4902@12.496815 15041 5725 1 4628 5144 1 1 1 1 10613 5184 1 14135 8045 1 1 8276 8860 1 9403 9465 8963 1 9386 1 1 1 1 7549 12580 8682 8726 8986 1 1 4675 8222 9807 7338 12443 8071 1 9829 7769 5123 1 9141 1 1 5650 4436 1 12123 3112 8288 1 3532 12673 4245 2847 1 2342 1 6591 1 1 10667 1 7876 1 3140 2983 6455 7103 1 1 10720 1 10111 1970 10159 3826 1 1 1 4162 9650 6084 1 7106 819.4902 *819.492* 819.492@12.483185 1 3751 14323 5779 9942 13108 14402 12673 14510 3131 6645 14772 1 7659 12888 3822 5916 5602 13239 4774 4140 5156 13229 3082 12633 12575 13311 2811 4592 1 1 4085 4248 12777 10802 7933 4736 3041 4956 1 5244 12984 2886 5095 2842 12187 2687 4460 10691 2144 3036 11845 1 8997 4180 11056 2314 1 7193 8920 11714 8920 6914 4386 11721 10227 1 11477 3727 10721 8732 8648 3965 4893 11522 8536 1 9097 1 8548 1 2726 10136 2673 10011 2296 1 3403 9387 3473 819.492 *819.5482* 819.5482@0.83997166 1 10472 1 1 13274 1 1 1 6658 12983 1 1 7557 12800 1 2682 1 1 7620 1 1 1 1 10063 3130 7069 1 1 1 1 9757 12086 1 1 1 10662 1 1 1 1 1 9121 1 1 1 7882 1 7521 10671 1 1 1 1 1 1 1 1 10232 1 1 11732 1 1 1 2838 9849 1 3149 1 6592 6288 1 1 2917 1 1 1 6992 1 6508 1 1 1 9709 1 1 1 1 9932 1 819.5482 *819.5886* 1-heptadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-(1'-rac-glycerol) 3101 3348 3337 3685 3377 3263 2872 3610 3181 3204 3118 3325 2831 3086 1606 3498 3317 3389 3122 3091 2789 3056 3741 2924 3096 2897 2805 2590 2907 3250 3281 3076 3012 3005 3221 3030 2703 2837 3243 2938 2977 2622 2881 1 3089 2908 2237 2210 1878 2511 2721 2585 2300 2243 1831 2139 2262 2132 1796 2046 2237 2440 1374 2162 2320 1306 2176 2069 2120 1 2185 2237 1870 2276 2052 2191 2134 2014 1485 1507 1398 1972 1433 2017 1230 1927 1597 1266 1680 1887 819.5886 *819.5926* 819.5926@12.413006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 819.5926 *819.7281* 819.7281@14.142714 1 1 5260 5799 5941 2242 6039 2294 2892 5794 5720 3011 7702 6476 7236 5720 8139 2769 8577 1 7988 6341 2804 2240 5270 7319 6760 6485 1652 1 1 7770 4209 1 6718 4827 6606 4547 6685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 819.7281 *820.4944* 820.4944@12.486092 1 4774 1 4469 1 1731 1 1859 1 1 1 1 1 1 1 5328 1 1 1 1 1 1 1 1 1 1 1 4272 1 1 2853 1 1 1 1280 1 1 1 1 1 1 1 1 1 4166 1 1 4493 1198 4293 3787 1 1 1 1 1 3241 1 1 1 1 1 2845 1 1 1365 1 1 1 1 1 1 1 1 1 2216 1 1234 1 1 1 3110 1 4361 1 3587 1 1 1 1 820.4944 *820.4981* 820.4981@12.461821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 820.4981 *820.5522* 820.5522@0.8420126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 820.5522 *820.5654* 820.5654@14.099009 1 1 1 1 1473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 820.5654 *820.5671* 820.5671@14.07371 2309 3162 2904 2414 1949 3467 3500 2929 3060 2856 3075 3125 3232 3225 2973 3175 2804 2200 2601 2769 2817 2732 3346 1563 2636 3518 1 2625 2871 2762 2255 2580 2568 2085 2802 2981 3078 2195 2072 2808 2745 2658 2209 1604 2418 1873 1 2388 1 1 2639 2093 2072 1934 2911 1 1547 1750 1307 1 2289 1 2180 1 1 1 2522 2528 1 1 1565 2372 2217 1833 1881 1 2171 2126 2391 1437 2082 1 2097 1 1 1 1 1821 1 1 820.5671 *820.7287* 820.7287@14.1395235 1 1 1 1 1 3369 1 3816 4417 1 1 1 1 1 1 1 1 2966 1 1 1 1 3830 5780 1 1 1 1 4920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 820.7287 *821.0068* 821.0068@0.6449937 1 1 1180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 821.0068 *821.007* 821.007@0.7656829 1 1 2982 1 1 2535 1 2834 1 3385 1 3969 1 3290 1 2335 1 2021 1634 3286 3366 1 2867 2567 2560 3023 1 2676 1 2417 1 2927 2304 2231 3010 1 2537 3504 1 1 3368 2126 1 3420 1 2264 2766 3082 1 1 1 2798 1 2338 2722 2160 1 1973 2328 1 1794 2409 2273 2613 2105 2786 2381 1 2873 2026 2882 2224 1539 1 2516 1 1534 2598 1 1 2526 4784 2798 2559 1919 1 2286 2954 2867 2207 821.007 *821.0076* 821.0076@0.6897819 1 1 1270 1 1 1 1 1493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2725 1 1 1 1 1 1133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1633 1 1 1 1 1 1 1941 1 1 1 1 1664 1 2166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1354 821.0076 *821.0081* 821.0081@1.3520238 1 1 1 1 1 1840 1 1 1267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1895 1 1 2431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 821.0081 *821.0512* 821.0512@14.071822 1 1 1 1 1 1 1 1938 1 1 1 1 1 1 1 1 1 1786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1542 1 1 1 1 1 1 1 1 1 1 1 2577 1 1 1 1 1 1 1524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1330 1 1 1 1 1 1 1 1 1 1 1 1 1 821.0512 *821.5474* 821.5474@0.83979756 1 1 1 1 1 6453 1 9022 1 1 1 1 1 1 1 6749 1 1 1 1 1 1 3246 1 5972 1 9517 1 1 1 1 1 9107 9935 1 1 1 1 13165 1 8788 1 1 1 1 1 1 1 1 5835 1 1 6405 1 1 1 1 1 1 1 1 1 1 1 10141 1 8630 8582 2776 1 1 9318 1 6420 7068 6047 1 1 3018 1 8403 1 1 1 1 8575 8033 1 1 1 821.5474 *821.7451* 821.7451@14.139433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5150 1 1 1 1 5522 6297 1 1962 1 1 5567 1 1 2402 1 2220 1 1 1 1 1 5436 1 1 1 5889 1 1 4757 1 1 1 1 3337 3385 1 4267 1 4033 1 4858 821.7451 *822.544* 822.544@0.84799886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 822.544 *822.5555* 822.5555@0.8413418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2651 1 1 1 1 1 1 1 1 1 2542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2099 1 1 1 1 1 1 1 1 822.5555 *823.5423* 823.5423@0.83975357 1 1 6108 1 1 1 1 1 8418 1 1 2300 11153 1 9959 1 6300 7979 1 8187 1 1 2496 1 1 2519 1 9347 1 1 1 1 1 1 7240 1 8194 8397 1 2646 1 1 1 3036 4855 5078 8783 4817 1 1 5192 11882 1 8829 8345 2742 1 1 5330 1 1 1 1 8248 1 1 1 1 7217 4758 5621 1 5522 1 1 1 1 5279 7525 7348 1 7893 1 1 1 1 1 5189 1 1 823.5423 *823.7575* 823.7575@14.144708 1 1 1 1 1 1 1 1 2946 1 1 1 1 1 1 3663 1 1 1 1 4998 1 1 4822 1 1 1 1 5214 5702 1 1 6220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5637 1 1 1 5736 6133 1 1 1 3632 1 1 1 1 1 1 1 1 1 3319 6238 1 5390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 823.7575 *824.5646* 824.5646@0.8376708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3118 1 1 1 1 1 1 1494 1 1 3088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 824.5646 *824.6878* 824.6878@14.669667 1 1 1 1 1 1 1 1 1 1 9960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 824.6878 *824.6933* 824.6933@14.306615 1 1 3376 1 1 1 1 1 1 1 8068 1149 1 3218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 824.6933 *825.5375* 825.5375@0.8429692 1934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 825.5375 *825.5511* 825.5511@0.8401572 1 5402 1 2145 1 2794 2710 1 1 1 1 7027 1 1 1 2096 1 1 5159 1 4559 2665 5234 4988 7896 7487 1 1 11471 5320 5048 1 1 1 1 7145 1 1 1 6957 1 5048 11461 2957 1 1 1 1 8417 4768 1 1 9006 1 1 2834 4728 5362 1 2770 1 2002 8016 1 1 1746 1 1 1 1 1 1 1 8445 2618 4850 7041 1 1 1 1 1 8355 7590 10569 1 1 1 7677 1 825.5511 *827.5073* 827.5073@5.6700397 2300 2446 1 1 5182 1 1 1 4174 4517 1 3692 1 5672 2406 2356 1 2925 1 4275 2697 2808 2246 2592 1 1 1 1 3283 3090 1 1 1 2276 3038 3295 4819 1 3877 1 3620 3860 1 1 1 1 1 1 2806 2382 1587 1591 1 1 1 1559 2071 1 1070 1460 1 1 3294 2869 4281 4137 1619 1112 1 1 1 1 1300 1 1206 1 1 1 1 1 1 1983 1250 1325 2773 2389 1877 2046 1213 1156 827.5073 *827.5454* 827.5454@0.8420073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 827.5454 *827.565* 827.565@0.8389299 9632 1 2275 8062 5669 8415 8004 7705 1 5665 8100 1 1 10911 1 7977 2996 1 1 1 1 2236 1 1 1 1 8693 1 1 1 1 7656 5573 2499 1 1 1 1 1 1 2274 1 1 7970 5008 5409 1 8314 1 1 3404 1 1 1 1 2463 1 1 1 5897 5697 7807 1 1 8255 4689 10994 4688 1 7516 2993 1 2074 1 7217 1 1 2360 1 1 5132 1 1 1 1 7621 7011 1863 1 7830 827.565 *828.5386* 828.5386@0.8579908 1 1 2674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 828.5386 *828.5592* 828.5592@0.84300447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 828.5592 *829.5614* 829.5614@0.8400266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6199 1 1 1 1 1 1 1 1 1 1 1 829.5614 *829.5734* 829.5734@0.83879846 1 1 5128 1 1 1 1 1 2273 1 1 1 1 1 5346 1 2464 5565 2390 7264 8022 9881 1 5338 1 1 1 2059 1 2665 8298 1 1 7745 5634 1 7693 8303 1 1 1 7259 1 1 1 1 8334 1 1 2705 1 1 1 2472 5308 7591 2249 8596 1 1 1 1 1 2373 1 1 1 1 1933 1 2052 1 7726 1 1 2707 1 8078 1 7579 1 2452 1 1 1 1 1 2354 1 1 829.5734 *830.5383* 830.5383@0.84800965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 830.5383 *831.5618* 831.5618@0.84100956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 831.5618 *831.571* 831.571@0.83871007 1 1 1 1 2853 1 1 1 6278 2305 1 1 7436 1 1 1 10045 1 5502 1 1 1 2484 1 2446 6890 1 4077 1 5982 1 1 6938 1 1 2247 1 1 1 7121 1 1 1 1 7226 7618 1 1 6855 1 1 6972 2616 7688 1 1 1 1 1 3293 1 1 1 10497 1 5065 1 2083 7004 1 1 5109 1 1 1 6696 2242 1 1 1 7448 7074 2756 5921 1 1 1 2559 5430 1 831.571 *831.6278* 831.6278@14.658327 58720 56573 55719 56697 1 58572 56706 55977 56483 56675 59398 57795 59110 57743 57086 58120 54599 55236 55450 57710 59255 57501 1 1 53788 56237 54321 55863 55496 57440 58734 56107 59530 56415 56249 55184 54750 56130 55902 56677 56937 54972 56734 56396 69252 58553 55790 55737 54953 53102 53844 55626 54537 56040 53371 53177 50067 53099 53940 53050 48982 52042 55523 51996 1 51825 52758 51383 52230 52744 50482 52172 52273 53626 53898 51923 52643 53496 52934 53594 53524 50369 53069 52186 53327 1 51997 53456 1 50828 831.6278 *831.6288* 831.6288@14.708096 1 1 1 1 57509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56968 57128 1 1 2026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3308 1 1 1 1 1 1 1 49926 1 1 1 1 1 1 1 1 1531 1 1 1 1 1 1 1 1 1 1 1 51625 1 1 52541 1 831.6288 *832.6302* 832.6302@14.756485 1 1 1 1 1 1 1 1517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2052 1 1 1 1 832.6302 *833.5533* 833.5533@0.83898246 1 1 1 3877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 833.5533 *833.5675* 833.5675@0.83931816 5894 1 2200 1 4495 4364 4653 4836 1 4513 4506 1 1 1 4698 6137 1 6465 1 1 1 1 5146 4992 4041 1 8187 1 4923 1 1 2106 1 1 7521 1889 1 1 4837 1 1 1 1972 4426 1 1 1 6385 1 2305 1 1 3991 1 4631 1 1 1 1655 1896 2452 4313 5586 1 2318 1 1 1997 1 4230 1992 1 1 1 6670 1 5530 1 1 1 1 1 1 1 6630 5193 1 1837 1 6224 833.5675 *834.526* 834.526@0.84200627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 834.526 *834.5519* 834.5519@0.8459989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 834.5519 *835.5419* 835.5419@0.8410063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 835.5419 *835.5587* 835.5587@0.8405674 1 4238 3114 1 1 1 1 1 1 1 1 1 1 3837 1 1 1 1 1 1 2239 1 1 1 1 1 1 4217 1 2486 1910 1 1 1 1 1 4201 3564 1 1 4142 3614 2517 1 1 1 1 1 1 2552 6193 1 1 1 1 1447 1 3859 1 1471 1 1 1 1 1 1 1470 1 1 1 1811 3135 3982 1 1 1 1 2178 1 1749 1 1 1 1 1 1 2244 1 1687 1 835.5587 *835.5689* 835.5689@0.8377369 1 1 1 3995 1 1 1 1 1994 1 1 1 1 1 1 1 1 1 1631 2940 1 1 1 1 1 1 1 1 1 1 1 1679 1 1982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4146 1 1 1 1 1 1665 3361 1 1 1 1 1 1 1 4024 1 1 1 1 2305 1 1 1 1 1 1 1 1 1 1 1 835.5689 *836.555* 836.555@0.84199923 1 1 1 1 1 1 1 1 1 1 1 1913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 836.555 *837.4025* 837.4025@0.86515254 1 1275 1272 1274 1261 1503 1 1398 1408 1163 1 1 1377 1084 1350 1386 1088 1036 1068 1009 1 1260 1228 1258 1 1278 1367 1556 1134 1490 1711 1 1 1350 1463 1034 1 1 1 1543 1 1 1 1 1317 1 1 1 1 1581 1096 1081 1394 1290 1 1 1461 1094 1090 1426 1 1 1 1 1211 1239 1215 1471 1 1095 1287 1134 1 1 1956 1191 1 1 1 1 1185 1454 1 1 1 1298 1535 1242 1 1 837.4025 *837.5457* 837.5457@0.84199476 1 1 1 1 2672 1 1 1 1 3156 1 1556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 837.5457 *837.5653* 837.5653@0.83700246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1305 1 1 1 1 1 1 837.5653 *837.5713* 837.5713@0.838397 1 1 1 1 1 4507 3128 1789 1 1 1773 1 1 1 3949 1470 4511 1 1 1 1 2009 1 1884 1 1 1 1 1 1 6776 1 1 3835 1 1 1 1 4615 1 1 1 1 1637 1391 1667 3503 1 1 1066 1 1 1 2003 1 1 1 1 1 1864 3748 1508 1 1 1 1 1425 1 1 2493 1 1 1 1 1 1 1813 1 1 1 1 1416 1 1 1 1 1535 1671 2302 1 837.5713 *837.5893* 837.5893@0.8324959 1 1 1 1 1 1 1 1 1375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 837.5893 *838.5102* 838.5102@0.84497523 1 1 1 1 1 1 1 1 1 1 1 1 1 2260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 838.5102 *838.5423* 838.5423@0.83799595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 838.5423 *839.3988* 839.3988@0.86519843 2433 2180 1564 2395 2149 2316 1440 1 2138 1784 1540 2081 2266 1950 1772 2080 2131 1942 1380 1778 1900 1753 1385 2117 2067 1 1669 1 2063 2093 1927 1667 1760 2533 1 2184 1112 1085 2252 2327 1861 2151 1708 1288 1864 1417 1013 1183 1682 1656 1 1270 1472 2015 2004 1020 1775 2073 1601 1816 1075 1 1490 1 1997 1476 1656 1 1731 1489 2314 1 1 1 2172 1315 1367 1 1897 1750 2178 1876 1 1697 1270 1026 1815 1951 1474 1141 839.3988 *839.5074* 839.5074@0.8390011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 839.5074 *839.5349* 839.5349@0.8410192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1481 1 1 1 1 1 1 1 1 1 1 3622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 839.5349 *839.5494* 839.5494@0.84600383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 839.5494 *839.5585* 839.5585@11.286797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2257 1 1 4572 1 1 1546 1 1 1 1 1 1 1 1 1 1 1 19164 1 1 1 1 1 1 1 1 1 1 1 4138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 839.5585 *839.5597* 839.5597@11.233324 43878 44573 47317 44888 46119 45748 43732 44171 44925 43280 42397 44860 44072 44068 41530 44685 44344 41443 42416 43031 41976 40540 41501 40451 37050 40692 40942 40441 40170 40553 39434 39533 39489 39463 38898 39599 39564 37955 39552 38659 37075 38299 36296 36295 36739 33992 28834 31494 31353 31832 30459 30806 30015 28845 29878 29794 28740 28756 29379 29223 27653 8921 27828 28039 28071 25443 27600 26570 27065 26126 26167 26956 26418 22434 26272 26236 25473 26415 26070 25043 25850 25973 25205 25645 25456 24104 25363 26075 24552 24528 839.5597 *839.5598* 839.5598@0.84200674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1807 1 1 1 1 1 1 839.5598 *839.5708* 839.5708@0.8414273 1 3664 1 1 1 1 1 1949 1 1 1 1 2618 4985 1 1 1 5016 1 1 1 1 3269 2798 1 1 1 1 1 4560 1 1 1 1 1 1 6791 1 1 1 1149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4765 1 1 1 1 1 1 1 1 1 1 1798 1 1 1 1 2607 1 1 1 1 1 1 1 1 1 1 1 1 1 1751 1 1 1 839.5708 *839.5816* 839.5816@0.83942497 2104 1 1 1249 1 1 1 1 1 1 1 1 1 1 1 1845 1 1 1 1 1 1 1 1 1 1 1 1 1875 1 1 1 1 1 1 1 1 1 1 3124 1 2243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1850 1 1843 1 5180 3148 1 1805 1 1 1 3395 1 1 1 1 4790 2018 1483 3265 1 1832 1 2268 1 1 1 1 1 1 1745 1 1 839.5816 *839.6* 839.6@0.83701193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 839.6 *840.5591* 840.5591@11.302007 1 1227 1 1 1 1 1 1 1 1 1 1 1 1385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 840.5591 *841.3884* 841.3884@0.8679915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 841.3884 *841.3945* CDP-DG(12:0/12:0) 1779 1372 1 2098 1839 1744 1 1848 1534 1304 1120 1214 1 1748 1411 1702 1275 1716 1764 1210 1700 1 1739 1950 1267 1748 1 1829 1715 1255 1728 1960 1 1345 1 1914 1501 1 1933 1517 1184 1371 1748 1462 1732 1315 1084 1 1482 1 1 1 1 1681 1376 1034 1366 1597 1248 1295 1 1259 1645 1 1216 1432 1590 1471 1 1411 2057 1644 1116 1 1503 1822 1439 1533 1270 1235 1665 1243 1354 1 1 1220 1 1668 1225 1280 841.3945 *841.5472* 841.5472@0.8425096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4469 1 1 1 1 1 1 1 1 1 1433 1 4445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 841.5472 *841.5738* 841.5738@0.85048234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 841.5738 *841.5885* 841.5885@0.84780025 4915 1 2047 1984 2434 1 1 2499 1018 1590 1435 1023 2766 1 1 1 1 1 1 1126 1219 1 1 1 1 1917 3267 1203 1 1 1 2770 2268 3944 1 2727 1 1 1 1 1005 1 1 2500 2382 1003 1377 1196 1 1131 1 2148 1 1924 1802 2670 1 2403 1 1 2895 1 1 7613 1 1 1 2155 1 1 1 1820 1 1 1638 2292 1 1 1 1 1966 1877 1 2405 1909 1 1668 1 3131 2470 841.5885 *842.5896* 842.5896@14.040287 1 1 1 1 1 1 1 1 1305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 842.5896 *843.3954* 843.3954@0.8653367 1 1 1206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1074 1327 1096 1 1 1 1 1 1 1 1 1 1013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 843.3954 *843.5218* 843.5218@0.84900963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 843.5218 *843.5401* 843.5401@0.8380102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1089 1 1 1 1 1 1 1 1 1 1 1 1 843.5401 *843.5526* 843.5526@0.8400289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1858 1 1 1 1 1 1 1 843.5526 *843.576* 843.576@0.84551173 1 1 1 1 1 1 1561 3404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2485 1 2000 1 1 1 1 1 1 1 1 1 1 1 4250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1612 1 1 1 1 1 1 1 1 1 1 1 843.576 *843.581* 843.581@0.8660021 1 1 2588 1172 1457 1545 3185 1768 1 1094 3669 1109 1 1466 1 1 2672 2438 1 1 2535 1370 1462 1319 2377 1572 1505 2568 5333 1224 1 1 1 1 1 1950 1 1 1 1408 1 1509 1404 1 1116 1 1 2883 1 1 1 1901 1451 1813 6138 1 1156 1338 1251 1862 1 1530 1599 1 1435 1 1422 1178 1726 1 1192 1156 1697 1 1 1333 1 1 1 1 1 1 1277 1 1 1254 1401 1 1712 1267 843.581 *843.5843* 843.5843@0.8443375 1 1 1 1 1368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1130 843.5843 *845.5351* 845.5351@0.84400105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 845.5351 *845.5465* 845.5465@0.8479729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 845.5465 *845.5605* 845.5605@0.8444343 1 1294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1281 1 1 1 1 1 1 1 1 3126 1 1 1 1 1 1 1 3071 1 1 1 1 1 1 1 1 1 1 3200 1 2976 1 1 1 1 845.5605 *845.5756* 845.5756@0.8625926 1 1 1 2241 1760 2071 1660 1321 1286 1207 1152 1 3769 1108 1 1010 1 2171 1135 2063 1373 1 1 2216 3395 4146 1728 1418 1 2615 1378 1230 1 1000 1539 1227 1435 1 1 1 1 2003 1357 1 1 1 1664 2898 1172 1 2315 1364 1 1567 1 1118 1 1192 2342 1 1 1 1 1 1 1 1044 1 1 1669 1087 1 1402 2164 1 1 1006 1 1639 1 1 1153 1632 1 1049 1 1 1068 1291 4532 845.5756 *845.582* 845.582@0.8605023 1 1 1 1 1 1 1 1 1 1007 1 1 1 1122 1 1 1 1 1 1 1 1 1 1 1 1 1245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1431 1 1 1078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 845.582 *845.741* 845.741@14.139917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1832 1 1 3268 1 1 4356 4173 1 3449 1 1 1 1 4166 2609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 845.741 *846.5425* 846.5425@0.84200615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 846.5425 *847.5445* 847.5445@0.841503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2240 1 1 3373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 847.5445 *847.5594* 847.5594@0.8442724 1 1 1 1 1 1 1 1 1 1 1 1104 1 1 1 1707 1968 2634 1 1 1 1 1 2346 1 1 1 1 1 1 1342 1 2035 1 1 1 1 1 2645 1 1 1 1521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3734 1 1 1 1 1 1 1 847.5594 *847.5777* 847.5777@0.8432491 1 1 1 1 1776 1 1 1 1 2720 3423 1 1 1 1887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3686 1 1 1 1 1 1 1 1564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2215 1 1 1 1 1 1 1514 1 1 1 847.5777 *847.5904* 847.5904@0.84000766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 847.5904 *847.6016* 847.6016@0.8319808 1 1 1 1 1 1 1264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 847.6016 *847.6233* 847.6233@13.569879 2901 2430 3045 2548 2845 3202 2623 2632 2685 2524 2585 2597 2760 2634 2946 2781 2936 2792 2440 3042 2483 2688 2473 2536 2553 2689 2480 2267 2716 2657 2357 2783 2490 1812 2636 2637 2513 2370 2662 2666 2867 2509 2578 2571 2602 2585 2497 2233 1934 1 2431 2045 2435 2509 2544 2729 2243 2620 2321 2398 2369 2585 2055 2386 1869 1970 2415 1700 1838 2321 2165 2213 2293 1969 1 2479 2220 2604 2038 2102 2432 1 2325 2498 2618 2141 2300 2195 2034 2184 847.6233 *849.548* 849.548@0.8426571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2414 1 1 1 1 1 1 1 1 1 1 2128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 849.548 *849.5635* 849.5635@0.84413755 1 1 1470 1 1154 1 1 1 1 1 1 1 1238 1 1687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1393 1 1 1 1 1 1 1 1 1117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2430 1 1 1 1 849.5635 *849.5902* 849.5902@0.8406692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1316 1 1 1 1 1 1 1 1 1 1 1 1626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 849.5902 *850.388* 850.388@9.64432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3441 1422 1 1 1 1 1 1 1 1 1 1 1 1 1 1920 1 1 1 850.388 *851.5447* 851.5447@0.84248877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 851.5447 *851.5632* 851.5632@0.84198165 1 1 1 1 1 1087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 851.5632 *851.5848* 851.5848@0.84166706 1 1511 1229 1 1 1 1 1 1534 1 1 1289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2760 1 1 3304 1 1 1203 1 1 1 2293 1 1 1 1 1 1 1 1011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 851.5848 *851.5972* 851.5972@0.8377919 1486 1 1 1 1 1 1169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1734 1 1 1 1 1 1 1 1 1 1 1 1 2536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 851.5972 *853.5283* 853.5283@0.8417572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6905 1 1 1 1 1 1 1 4574 1 1 1 1 1 1 1 7326 1 1 1 3159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 853.5283 *853.5448* 853.5448@0.8414904 1 2324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 853.5448 *853.5655* 853.5655@0.8415076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1099 1 1 2052 1 1 1 1 2385 1 1 1 1 1040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1433 1 1 1 1 1 1 1 1 1 1 1 1084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 853.5655 *853.5746* GPIns(16:0/18:1(9Z)) 1 1 1 21179 21238 21171 1 20524 2592 1 1 1 1 21685 1 1 20412 20238 22046 21316 1 21205 21101 1 2081 1 1 1380 1 1216 21337 2155 20497 1 20046 1 1641 1 22055 19754 2054 1 19837 19103 1 18284 1 3835 1 19762 17749 1 17181 18068 1 18439 6415 1 16043 1 1 16658 16255 1 1 1 1 1 15954 16444 1 1 15299 1 15638 1 1 1 1 1 1 1 15095 14519 1 1 1 1 16236 1 853.5746 *853.5751* GPIns(16:0/18:1(9Z)) + 11.922863 19157 21030 20306 1 1 1894 21625 1 21404 21972 21029 22051 20489 1 21593 22158 1 1 1 1191 21031 1 1 21183 20262 20831 20507 21500 22788 20608 1 20066 1 19428 2571 19203 19490 19324 1 2050 19568 19213 1 1 19361 1 17897 14506 17404 1 1937 17965 1 1 11194 1 9901 17606 1 16489 15969 1 1 16158 16051 15914 15848 15781 1 1 15861 14363 1 15267 1 15466 15195 15326 14599 14665 15565 14973 1 1 14233 14895 13998 13259 1 12547 853.5751 *853.5757* 853.5757@0.8379945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 853.5757 *854.5781* 854.5781@11.89687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 854.5781 *854.5811* 854.5811@11.941883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 854.5811 *855.5372* 855.5372@0.8414422 1 1 2241 1 1 1 1810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5115 1 4705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1717 1 1 1 1 1 1 1 1 1 1 1 1 5018 1 1 1 855.5372 *855.6029* 855.6029@0.8330197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 855.6029 *857.4635* 857.4635@0.8439906 1 1 1 1 1 1 1 1 1 1 1 1 1419 1 1136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 857.4635 *857.514* 857.514@0.8405106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1267 1 1 1 1 1 1 1 1 1 1 1 857.514 *857.5174* 857.5174@0.8390036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 857.5174 *857.5353* 857.5353@0.84139633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6429 1 1 1 1 1 1 1 1870 1 1 1 1 1 1 1 1 1 1 1 1 2371 3337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 857.5353 *859.4608* 859.4608@0.84100384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 859.4608 *859.479* 859.479@0.84200174 1 1 1063 1 1 1 1 1 1 1040 1 1 1 1 1 1 1 1 1 1 1 1 1069 1032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1173 1 1 1035 1 1 1 1 1 1381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 859.479 *859.4891* 859.4891@0.8410071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 859.4891 *859.5082* 859.5082@0.84224415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1005 1 1 1 1 1005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1220 1 1 1 1792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 859.5082 *859.5245* 859.5245@0.8424001 4372 1 1 1 1 1 1311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6271 1 1 1 1 1 1 1 1 1 1 1177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 859.5245 *859.6564* 859.6564@13.467981 1 1 1 1 1 1 1 22001 1 1 1 1227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10577 1 1 1 1 1 1 1 1 3321 1 1 1 1 3087 1 1 1 1 1 1 1 1 1 1 1 1 1 13903 1 1 1 1 1 1 1 1 17335 1 1 1 1 1 859.6564 *859.6578* 859.6578@13.465823 19416 24489 24247 1 23633 21648 23661 1 23067 1 23172 22921 21566 23557 24478 22773 22587 21335 23584 23941 21202 23272 23613 1 24545 22366 22866 23877 23734 24986 23005 23784 21035 25354 23759 24494 22439 23231 22766 24691 22864 22226 23912 20447 24566 1 22158 1 18794 8578 18553 19316 19940 21336 1 18316 10732 18828 18905 19079 10719 15853 19369 16262 19846 16732 6297 4177 19030 20226 18688 18237 19946 18446 18543 4890 17024 17544 18696 19165 18980 18331 1 17179 1 17095 1 17249 1 17886 859.6578 *859.6596* 859.6596@13.47909 1 1 1 19482 1 1 1 1 1 25208 1 1 1 1 1 1 1 1 1 1 1 1 1 23045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2160 1 31435 1 9091 1 1 1 1 1 1 11266 1 2254 1 1 1 1 1 1 3151 1 1 11176 7664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18805 1 1 1 19930 1 15906 1 859.6596 *860.6585* 860.6585@13.417268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 860.6585 *860.6621* 860.6621@13.478084 3708 1 1 5345 1 1 1 1 1 1 1 1 1892 1 1 2417 1 1 1 1 2996 1 1 1 1 1 1 1 1 1 1 1 2512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8665 1 1 1 1 1 1 1 1 1 1 4737 1 1 1 1 1 1 7669 1 1 1 1 1 1 1393 1 1 1 1 1 1 1 1 1 1967 2273 1 1 1 1 860.6621 *861.489* 861.489@0.84099555 1 1 1 1 1 1070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 861.489 *861.5295* 861.5295@0.8400264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3762 1 1 1 1 1 1 1 1 1 1 1 1 1 4144 1 1 1 1 1 1 1 1 1 1 1 1 1 1524 1 1 861.5295 *862.549* 862.549@0.8379801 1 1 1 1 2105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 862.549 *863.4966* 863.4966@0.84349465 1 1 1 1 2043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 863.4966 *863.5169* 863.5169@12.459757 1 1 1 9864 14861 7087 19136 8788 14588 8683 16177 5635 19244 17709 13104 1 14051 11458 14842 9869 20614 13305 16335 8831 1 14179 1 6103 19814 14597 1 13966 9315 8774 8768 10507 1 7667 8142 8975 6013 11982 1 15377 1 1 14185 1 13544 1 15152 14583 15457 1 17542 1 6855 13006 4850 7110 9053 10229 10142 1 7564 13366 1 7163 4725 9448 12772 1 13964 8894 1 1 1 7741 1 1 1 1 1 1 1 4161 7021 1 7190 1 863.5169 *863.5177* 863.5177@12.453882 23098 18273 6150 5693 9972 8592 7772 6770 9119 14924 10605 18069 7905 9338 13223 26989 9419 7887 10963 5551 4435 9597 9100 13836 25030 10872 23979 18564 5174 10009 24538 10130 4694 6266 13891 13499 19049 6003 15922 14880 17958 9396 24099 8751 24332 23726 7866 24486 8207 6157 9134 1 8829 13774 5015 23554 13281 7497 18426 6050 14132 12050 12098 22515 14970 8776 16215 15239 8664 13210 9534 22246 8234 13263 22518 21694 20984 4522 21893 5069 19419 19228 20230 18206 18414 7970 5457 20138 13691 16919 863.5177 *863.5193* 863.5193@12.522623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 863.5193 *863.5396* 863.5396@0.8409942 1 1 1 1 1 2932 1 1 1 1 1 1 1 1 1 2125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2287 1 1 1 1 1 1 1 1 1454 1 1 1293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6588 1 1 1 1 1 1 1 1 1 863.5396 *863.5503* 863.5503@0.8419925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 863.5503 *863.6008* 863.6008@12.386342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 863.6008 *863.6082* C22 Sulfatide 2221 1727 1632 1826 2041 1665 2139 2235 2125 2214 1874 2154 2324 2096 1668 2076 1679 1757 2104 1881 1976 1684 1475 2250 1172 1686 1 1884 1892 1964 2523 1670 2118 1 1985 1 1824 1807 2014 1903 1396 1231 1536 1683 1 1733 1749 1 1 1 1235 1 1 1 1 1 1 1060 1409 1072 1 1 1 1 1004 1292 1071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1593 1 1 1 1 1 1 1 1 863.6082 *864.519* 864.519@12.454966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 864.519 *864.5205* 864.5205@12.455982 3996 1 11439 11614 1 11373 1 11213 1 1 1 1 1 1 1 1 1 7268 1 8565 1 1 1 1 1 1 1 1 1 1 1 1 9858 10085 1 1 2741 8981 1 1 1 1 1 1 1 1 1 1 1 9232 1 1 1 6868 1 1 1 1 1 9622 1 1 1 1 1 1 1 1 9162 1 1 1 1 1 1 1 1 7031 1 8955 2235 1 1 1 2483 8838 8336 1 1 3194 864.5205 *865.488* 865.488@0.8425099 1 4983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2339 1 1 1 3815 1 1 1 1 2362 1 3141 1 1 1 1 1 1 1 1 1064 1 1 1 1 1 1127 1 1 1 1 1 1 1 1235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2472 1 1 1 1 1 1 2745 1 4267 1 1 1881 1 1 1 1 1 1 865.488 *865.502* 865.502@0.84168357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3270 1 1 1 1 1 1 1 865.502 *865.5112* 865.5112@0.8424265 1 1 3272 2763 1 1 1 1 1 2996 1381 2845 1 1 1 1 2895 1 1 1 1 1 1 1 1 1 1 1108 1 1 2956 1 1 1 1 1 3841 2630 1 1 3854 1 1 1 1 1 1 1 1 1 1 1261 1 1 1 2475 1 1 3367 1174 1 1 1 1 1 1 1 2689 1 1134 1 1 1 2204 1 1 1 1 1 1 1 3134 1 1 1 1 1 1 1 1 865.5112 *865.521* 865.521@12.4802 1 1 1 1 1 1 1 1 1 1 1 1494 1 1 1 1 1 1 1 1442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 865.521 *865.5235* 865.5235@12.459597 1 1 1 1 1 1 1 1 2394 2591 1 1013 1 1 1 1 2471 1 1 1127 1 1 1 2744 1003 1 1439 1 1 1 1 1 1 1 2220 1 1 1 1 1 1 2445 1 1 1 1 2057 1 2392 1 1 1288 1 1843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 865.5235 *865.5264* 865.5264@0.8405142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3988 1 1 1 1 1 865.5264 *865.5449* 865.5449@0.8380062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 865.5449 *867.4921* 867.4921@0.8415771 1 1 1 1 1 1 1 1 1 1 1421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1316 1 1 1 1 1 1 1 1 1 1 1 1176 1 1 1 1 1 1 1 1 1 1 1042 1 3520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1150 1 1 1 1 1 1 1 1369 1 1 1 1 1 1 1 1 1 1 1 1 1 867.4921 *867.509* 867.509@0.8431354 1200 1 1 1 3574 1345 1 1 3040 1 1 1 3689 1396 4384 1849 1 1 1184 1410 1378 3750 1 1 1 3497 1 1 1285 1422 1 1 1 1 4561 1639 1 1 4593 1 1 2811 1398 1 1062 1195 1 1083 1 1 1 1537 1 1291 1 1 1 1041 1 1269 1309 2850 1 1941 1166 1015 3038 1 1 3446 3186 1 2342 1 1755 1423 1 2942 1 1 1 1 1 1454 1 2969 2699 3169 1347 1350 867.509 *867.5162* 867.5162@0.8444965 1 1 1 1 1 1 3248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 867.5162 *869.4864* 869.4864@0.841722 1234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2135 1 1501 1 1 1 1 1 1 1299 1 1 1 1 1 1 1 1 1 1 1 1 1043 1 1 1 1 1 1912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 869.4864 *869.5007* 869.5007@0.8431419 1 1 3206 1604 1 1959 1 1 1 2937 2975 1537 1 1660 1 3312 1307 1786 1134 1315 3298 1 1 4629 1 1 4667 1373 1492 1282 1 1 1693 1448 1 1178 1536 2959 1 1 1 1 3162 1 1 1951 1 1471 1817 1442 1 2509 1 1784 1292 1 3473 1522 1362 3654 1 1 3156 1344 1416 3060 1 3065 2885 1 1 1161 1 1 1455 1 3251 1 1518 1 1 3944 1682 2967 1 1 1 1 1003 3583 869.5007 *869.5128* 869.5128@0.84501064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 869.5128 *869.5457* 869.5457@0.8425164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4404 1 1 1 869.5457 *870.5086* 870.5086@0.8380089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 870.5086 *871.4947* 871.4947@0.84259105 1390 2828 1 1261 1371 1 1136 1 1111 1 1 1 2278 1230 1194 1 1 1 1 1313 1 1518 1663 1 1542 1241 1 1 1264 1796 1168 1099 1363 1 1 4901 1 1 1496 1 1 1 1 1 1 1 1 1 1 3343 1 1 1477 1188 1001 1 1 1050 1 1 1 1 1 1 3092 1 1345 1 1 1 1103 1341 1 1 3152 1 1 1 1 1 1209 1 3457 1 1 1020 1 1 1 1 871.4947 *871.5005* 871.5005@0.84551144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2863 1 1 1 1 1 1 1 1 1 1 1 1 1146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 871.5005 *871.5119* 871.5119@0.8441967 1 1 1 1 1 2667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1191 1 1 1 2397 1 1212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 871.5119 *871.5328* 871.5328@5.7505126 1636 1 1 1 3437 1 1 2639 1 1 2737 2448 1 4125 1593 1170 1348 2027 2559 2338 1797 1208 1 1 1 1 3023 2775 2048 1 1 1 1254 1025 1445 1616 3014 1 1749 2339 2311 2648 3546 3301 1 1 1 2583 1191 1269 1 1 2445 2628 1 1 1 1034 1 1 2498 1 2173 1538 2472 2362 1 1 1 1 1 1 1 1 1 1 1 5195 2980 3311 1 1 1 1 1608 1717 1310 1 1 1 871.5328 *871.7569* 1,2-di-(9Z,12Z-heptadecadienoyl)-3-octadecanoyl-sn-glycerol 1 1 1 1 1 1 1 1 1 1 1 1 3609 1 1 1 1 1 1 1 1 1 2351 2540 5152 3409 3203 2868 3744 3282 2324 1 4178 1 2971 1 1 1 1 1 1 1 1 1822 1 1 1 1 1 2604 1 1 2721 3748 1 3469 1 2852 1 1 1 4978 1 1 1 1 1 1 1 1 4662 1 1 4416 4367 1 1 1 1 1 1 1 1 1 4166 1 1 1 5069 4626 871.7569 *872.7571* 872.7571@14.145579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 872.7571 *873.4791* 873.4791@0.8415068 1 1 1 1 1 1 1 1 1 1 1 1695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1356 1 1 1 1 1 1 873.4791 *873.4942* 873.4942@0.8430063 1 1 1503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1171 1 1355 1 1 1 1 1 1 1116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1011 1 1144 1 1 1 1062 1 1 1 1 873.4942 *873.5015* 873.5015@0.84170073 2628 1 1 1 1 1 3032 1 1029 1 1 1 1 2364 1 1253 1 1 1 1 1 1206 1 1 1 1 1 1 1 2441 2820 2549 1 4014 1 1 1115 2727 4688 2422 1 1 1 1 1 1 1 1211 1 1 1 1432 4776 2863 1 1 3315 1 1 1 1 1 1097 1 1 1 1 1 1 1 1 1 1 1 1 1 3073 1 2612 1 1 1 1 1 1298 1 1 1 1 1 873.5015 *873.519* 873.519@0.841337 1 1 1 4696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4323 1 1 1 1 1 1 1 2017 1 1 1 2958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 873.519 *874.4953* 874.4953@0.8414972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 874.4953 *875.5018* 875.5018@0.84124887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1289 1 1 1 1 1 1 1 1 1 1 1 1224 1 1 1 1 1 1 1 3511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 875.5018 *875.5159* 875.5159@0.84082454 1 1 5476 1 4088 1176 1 5244 3740 2613 4563 1303 1 1 1 4749 2927 5451 2666 5002 4606 1111 1 3468 1 1 5405 4433 3281 1 1 1 1 1 1 1 1325 1 1 1 1 1200 1 2994 1194 5006 1 1087 1 3299 3753 1 1 1 1 1 1 1106 1 3449 1 3004 2724 2506 5332 3349 4668 1461 2627 1085 1 1 1 1 1 1 1 1 1 2643 4695 2653 2894 2661 1159 1 1 1 1 1042 875.5159 *875.5295* 875.5295@0.8410105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 875.5295 *875.654* 875.654@14.616177 56019 55643 52054 53458 55441 58699 54203 50369 51298 52984 51770 54016 54067 55647 50687 51286 48628 47675 52084 54816 50242 49162 50895 53710 50499 54282 52521 50890 49141 49535 49769 55425 50826 52762 50617 52215 51390 54293 55584 53779 51078 54797 49000 53179 60181 59546 50887 52321 51890 50957 48458 49817 54183 47309 49858 48025 46797 52319 47290 48084 46292 48606 45582 47268 45944 47146 46472 47036 44388 48980 46570 45225 43722 44754 47080 44760 42771 42866 46833 45655 46166 48205 43429 45519 45736 47111 48010 46196 44411 44602 875.654 *875.6606* 875.6606@14.74944 1 1 1 2242 1 1 1 1 1 1 1 1 1 1 1 2281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 875.6606 *875.7723* 875.7723@14.142955 1 1 1 1 1 1 1 1 1 1 1 1 2696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 875.7723 *875.7887* 875.7887@14.14624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4347 1 5512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 875.7887 *876.4976* 876.4976@0.8400017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 876.4976 *876.6747* 876.6747@14.683526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2144 1 1 1 1 1 1 1 1 1 2736 1751 1 1 1 1 1 1 1 1 1500 1 1 1870 1600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3694 1 1 876.6747 *876.6936* 876.6936@14.740906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3658 1 1 1 1 1 1 1 1 1 1 1 1604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1829 1 1 876.6936 *876.7* 876.7@14.716883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1376 1132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1561 1 1 876.7 *876.7218* 876.7218@14.164204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2786 1 1 876.7218 *877.5035* 877.5035@0.8406808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1182 1 1 1 1 1 2681 1 1 1 1 1 877.5035 *877.5187* 877.5187@0.8403392 3030 1 1 1 1 3834 1 1 1 1 1 3117 4720 3637 1 1 1 1 1 1 1 3547 4158 1 1624 1128 1 1 1 3712 3042 1 1 1651 4073 3957 4615 5396 1513 1 1 4460 1 1 2632 1 1 3695 1 1 1 1 1 5248 1102 1 1562 1 3111 1 1590 1 1 1 1 1 1 1333 1 1271 3218 5515 3295 4992 4559 4425 5144 4889 1 1 1 1 1 1 1 1295 1 3525 4484 1212 877.5187 *877.6796* 877.6796@14.646828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 877.6796 *877.6983* 877.6983@14.663559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 877.6983 *879.5132* 879.5132@0.84100336 1 4132 1 1347 1537 1 4792 1 3251 4482 1 1 1 1 1 1 1 1 1134 1 1 1 1 4660 1 4283 1 1 1 1 1 2908 1 4901 1 1 1 1 1 2809 1 1 1432 1288 1 1 5381 1 1 5359 1 1 5357 1 1 1 1 1 1 1 1 1 1 4271 1 1 1 1 1 2603 1 1 1 1 1 1 1 1 4288 1 1 3061 3515 3593 1 2649 1 1 1 1 879.5132 *879.5172* 879.5172@0.8401918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3678 1 1 1 1 1 1 1 1 1 1 3643 1 1 1377 1 1 1 1 2887 2906 1579 1 1 1 3019 1 1 2980 1 1 1 1 1 1 1 1 1 1 1312 1 1 1 1 1 1 1 1 1 3360 879.5172 *880.5168* 880.5168@0.8389802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 880.5168 *881.5021* 881.5021@0.8418974 1 1 4236 3548 2558 4557 1 3289 1 1 2783 2804 1 2993 1 2620 1 4794 1 4296 2724 1 1251 1 1022 1 3041 1457 2968 2637 1 1 1 1 2052 1 2527 1 5418 1 1 1 3983 3218 1 1387 1 1314 3798 1 1131 1 1 1 1172 1 3073 1 3069 1 1 1 3498 1 1096 2332 4309 1 1 1 2911 1 1250 1 1 1 1 1 1 2741 2417 1 1 1 1 1 1 1049 1 1 881.5021 *881.518* 881.518@0.8409993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2325 1 1 1214 1 1 1 1 1 1 1 1 1 1 2897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3921 1 1 1 1064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 881.518 *882.5299* 882.5299@0.8380105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 882.5299 *883.5172* 883.5172@0.8411298 1 3107 1 1 1 1 1 1 2506 5072 1 1 5009 1 1 1 1 1 1 1 1 1107 4299 1 5230 1 1 1 1 1 1 1 1 1 1 1 1 3636 1 1 1 3105 1 1 1 2619 1 5013 1 1 2934 1 1 8051 1 1 1 1 1 1 5037 1 1 1 5057 1 1 4442 2785 1 1 1 6446 1 4698 5051 1 1010 1 1 1 3016 1588 1 1 1 1 1 4628 1 883.5172 *883.5419* 883.5419@0.83800566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 883.5419 *883.5853* 883.5853@11.212014 24971 25605 25934 1 1 24987 1 1 24877 1 24470 23586 1 1 1 23925 24098 1 17150 24574 23652 23108 1 22788 1 1 23073 1 22591 22249 22443 1 22704 1 20753 21152 2620 21708 21278 1 20706 20768 20947 20926 21426 1 1 16172 18755 17673 1 16193 1 1 15607 1 1803 1 1 1 15789 1 15200 15516 1 14780 15217 15526 1 1 1 13371 1 1 1 15198 14132 14114 1 13369 14401 14315 13870 13539 13358 13592 14438 1 1 1 883.5853 *883.5859* 883.5859@11.212664 1 1 1 25714 24834 1 24671 24240 1 24464 1 1 23777 24387 23643 1 1 23009 7095 1 1 1 23281 1 22961 24828 1 23382 1 1 1 22398 1 21465 1 1 18509 1 1 21682 1 1 1 1 1 18585 18359 1913 1 1 17568 1 17058 17106 1 15724 14769 16294 16578 15812 1 15370 1 1 15920 1 1 1 14547 14485 15040 2171 14840 14552 14219 1 1 1 14151 1 1 1 1 1 1 1 1 13874 14401 13047 883.5859 *884.5148* 884.5148@0.8390017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 884.5148 *885.5312* 885.5312@0.8413158 1034 1 1 3225 1408 1 2232 5679 1 1 1 3477 1 2386 1 4686 3383 1 1254 1 5112 1276 1 1 1 4644 1 3808 5955 2690 1 1 3297 5638 1309 3241 1 1 1 1 1254 1 1316 3186 1114 1 3463 1 1 5814 1 1 6180 1 2937 1 1 1328 5761 1 1 6917 1 5551 1 2830 1 1 3210 3482 4216 3205 1 1 1 1 5028 3608 3166 1307 1 1 1729 1282 1156 1938 1464 1552 1 4848 885.5312 *885.5358* 885.5358@0.84050435 1 1 1 1 1 1 1 1 1 1 1463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4790 1 1 1 1 1 1 1 1 5484 1 1 6041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 885.5358 *886.5031* 886.5031@0.8449691 2650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 886.5031 *887.522* 887.522@0.8430038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 887.522 *887.5336* 887.5336@0.84058946 7089 6869 1662 3859 2143 1 6762 1 1850 1 6576 1 1 3836 1 1 1 5123 3784 7775 1 3002 1578 1739 1 1 1 1 1 1 5401 4513 1 1 3488 1 5927 1440 4975 1 1 1 3715 1 5111 4332 1 1 1 1 5751 1 1 1 5394 3718 4462 3808 1 3823 1 1 5964 1 1 1 2091 1 1 1 1 1 1 4007 1 1 1 1 1 1536 1 1329 1573 3756 4360 5290 1 5010 4687 1 887.5336 *887.5468* 887.5468@0.8430197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1665 1 1 1 887.5468 *888.5174* 888.5174@0.83801955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2123 1 1 1 888.5174 *889.5269* 889.5269@0.8416889 1 1 4346 1 4719 5927 1 1644 4088 4476 1 2814 4900 1 1 1340 1 1 1 1 1 1 4233 5094 2965 1777 1 1685 1 5814 1 1 4437 1 1 3960 1 1 1 1 1 3060 1 3305 1 1 3969 5782 1 1 1 1 1 1 1 1 1 1 1 1 3954 1 1 1 1 5038 1 3184 1604 1220 1 3180 1 1 2056 2495 1 1224 3999 3428 1 5401 4653 1 1 1 1737 1 1 1 889.5269 *891.5147* 891.5147@0.8413496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3707 1 1 1 1 1 1 1 1 1345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1020 1 1 1 1 1 891.5147 *891.5234* 891.5234@0.84212595 1 1 1 3424 1 1 2063 3827 1 1 1 4782 1 3319 3138 2650 4540 1 1 1 1701 1 1 1 1 3826 3346 1233 3239 1 1 1801 1 1479 1 1 1 1566 2994 1042 3170 1 1472 1 1 1 1 1 3593 3882 1 3236 4322 2907 1 3422 4344 1 2886 1 1 1907 1 3751 2688 1 1 1 4183 4419 1 1 1798 2543 1506 3427 1354 1558 1 1 4578 1 1 3279 1 1 1 1 1 1 891.5234 *891.6477* 891.6477@13.534122 2167 1 1 1 2005 1 2181 1 1 1 1 1263 1 2493 1454 1996 1 1 1907 1 1789 1 2158 2745 1 1 1 1 2569 2401 1 1 2567 2301 1975 1 1 1844 1 1341 2181 1925 1 1859 2045 2008 1 1924 1881 1294 1132 1 1 1 1 2023 1 1 1 1 1743 1 1929 1 1 1088 1 1 1 1 1 1 1 1 1 1 1715 1 1 1 1709 1 1 1969 1 1 1 2064 2152 1 891.6477 *893.5001* 893.5001@0.8410033 1 1 1 1 2948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1631 1 1 1 1 1 1 1 1 1 1 1 893.5001 *893.5153* 893.5153@0.84113497 3218 4316 1217 1 1 1 1 1 2859 2549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2466 1 1804 1 1 2493 1 1 1 3136 1 1 1 1173 2644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2196 1 1 1 1 1 1 1322 1 1 1 1 1 1 1 1 1 2314 1 1 1 1 1 1 1 1659 1 1 1 1 893.5153 *893.5316* 893.5316@0.84150225 1 1 1 1 1 1 3384 1 1 1 2355 1 1 1 1 1 1 1 1 1 3026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1610 1 1 1 1 2262 1 1 1 6095 1 1 1 2987 1 1 1 3413 1 1 1 1 1 1 1 4085 1 1 1 1 1 1 1 3013 2117 1 1 1 1 1 1 1 1 1 1 1 1 1237 1 1 1 1 1 893.5316 *893.5401* 893.5401@0.837992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 893.5401 *895.3564* 895.3564@0.86506754 1228 1 1018 1692 1 1160 1 1513 1311 1577 1555 1 1827 1 1347 1629 1 1 1324 1 1169 1 1092 1 1127 1240 1 1112 1333 1039 1 1027 1311 1 1 1 1 1 1 1134 1 1203 1076 1 1149 1188 1020 1 1321 1 1143 1 1025 1 1 1 1237 1 1039 1111 1 1013 1 1 1348 1 1434 1 1 1 1603 1224 1 1053 1660 1329 1367 1161 1 1 1 1 1 1 1176 1 1 1 1309 1327 895.3564 *895.3675* 895.3675@0.8647484 1 1508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1144 1 1 1 1 1 1 1 1 1 1127 1 1 1 1 1025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 895.3675 *895.515* 895.515@0.84301805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1731 1 1 1 1 1 1 1 1 895.515 *895.5189* 895.5189@0.8395749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3050 1 1 1 1 1 1 1 1 1 1 1 1 2697 2525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3828 1 1 4953 1 1 1 1 1 1 1 1 1 2706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 895.5189 *895.5397* 895.5397@0.8390495 1 1 1 1062 1 1 1 2431 1 1 1 1 2979 3339 1 1465 1 1 1270 1 1 1 1 1 1 1457 3041 1 1 1 1 1 2598 2457 1 1 1 1 1 1 1 1 1 1190 1 1 1 1609 1 1936 1 1 1 1 1 1155 1 1 1 1 1 1 1 1508 3397 1595 1090 1 1 1 1 1 1 1 1557 1 1 1 1 1 1 1 1 1 3309 1 1 1 1 1 895.5397 *895.553* 895.553@0.83675736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1355 1 895.553 *897.3565* 897.3565@0.86356044 2107 2295 1424 2318 2444 1828 1356 1 1558 1 1969 2106 2398 2108 2258 2228 2259 2084 2155 2070 2016 2008 2257 2196 1959 2165 2133 1 1614 1986 2275 1618 2362 1 2013 2143 1604 2019 2687 2057 1831 1493 1940 1996 1402 2066 1750 1 1943 1545 2140 1790 2149 1410 1 1764 1876 1983 1948 1870 1614 1874 1 1729 1885 1 1 1491 1447 1906 2466 1966 1976 2075 1810 2286 2006 1959 1240 1503 1642 2142 1 2147 1864 1631 1751 1 1528 1248 897.3565 *897.3699* 897.3699@0.8610064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 897.3699 *897.523* 897.523@0.8422566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1557 1 1 1 1 1 2367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1549 1 1 1 1 897.523 *897.5347* 897.5347@0.8392595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1383 1 1 1 1 1283 1 1 897.5347 *897.5498* 897.5498@0.8385414 3736 1 1 1147 1 2659 1 1 1 3590 6178 1286 1 1 4082 1455 2127 1 1301 2810 1451 1 1 1 1398 1231 1 1 1 1494 1 1 1 1 2837 1 1 1 1968 1 1 1 1 2846 1039 1 1 3039 1 1 1 1529 1539 1 1493 3043 1 1471 1 1 1 1913 1 1 1 1 1405 1 1 3043 2990 2572 1493 1429 1 1501 3196 1 1 1 3209 3042 1 1836 1 1 1 1 1 1 897.5498 *897.5604* 897.5604@0.8345338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2383 1 897.5604 *897.5989* 897.5989@11.868349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11795 1 1 1 1 897.5989 *897.6001* 897.6001@11.883193 1 1 1 17318 16624 1 16280 1 1 17126 17385 1 16817 1 1 1 1 15702 17394 1 1 16954 1 1 1 1 1 16837 16204 1 1 1 16081 16870 1 1 15923 1 10317 1 1 14714 1 15392 16176 1 1 1 1 1 1 1 15027 1 14194 14148 3670 1 1 1 1 13421 1 5295 1 1 1 1 1 13861 1 1 12754 1 1 11763 1 1 1 1 12055 1 1 1 1 1 11960 11793 1 1 897.6001 *897.6013* 897.6013@11.88405 15909 17884 15662 1 1 17196 1 16171 16879 1 1 16891 1 16926 17291 17121 16002 1 1 15510 16611 1 17249 16250 16753 16943 16228 1 1 16582 15578 14971 1 1 16308 15451 1 16043 5568 15357 16599 1 15521 1 1 15946 14594 14833 14480 15257 13102 14611 1 14581 1 1 5043 13540 13818 13790 12331 1 13196 7949 13336 13262 13202 13121 13796 1 13121 12749 1 12375 12523 1 12182 12715 12042 11369 1 12231 13053 12016 11317 1 1 1 11190 11281 897.6013 *897.7704* 897.7704@14.141812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2968 2640 1 4329 4140 1 4744 1 5446 5513 1035 5232 6052 5987 5332 4499 3587 1 3503 1 1 1 1 1 4215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 897.7704 *897.7711* 897.7711@14.149989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 897.7711 *898.6* 898.6@11.938519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 898.6 *899.3494* 899.3494@0.86720973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1727 1 1 1066 1318 1 1 1 1 1 1 1 1 1 1 1 1 1 1449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1965 1 899.3494 *899.3573* 899.3573@0.8630038 2234 2371 2063 2129 2011 1 1872 1 2025 1 2047 1479 1577 1 2110 1940 1960 2205 1846 1934 2199 2213 2061 2051 1681 1 2260 2167 1426 2293 1902 2166 2095 2183 1628 2161 1157 1186 2440 2213 1763 2050 1800 2010 1508 1773 1453 1802 1 1507 1 1703 1753 1 1 1 1983 1 1 1955 1684 1329 1673 1599 1 1 1908 1814 1 1842 1919 2044 2070 1623 2214 1590 1 1959 1 1430 1675 1936 2201 2151 1604 1784 1395 1844 1 1730 899.3573 *899.4726* 899.4726@0.84301156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 899.4726 *899.5303* 899.5303@0.843506 1 1 1 1 1 1 1 1 2903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2893 899.5303 *899.5392* 899.5392@0.842476 1 1174 1 1 1325 1 4475 1817 1 1 1 1 1 1762 1 1 1 1 1 1 1 1843 1 1 1 1346 1 1 1 1 1 1 2187 1 1 1 1 1 1 3169 1 1 1 1 1 1621 1 1 1 1 3507 4162 1 1993 1 1 1 1534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1793 1 1 1 1 1 2045 1 1 1 3615 1 1 1269 1 1539 1 1 899.5392 *899.553* 899.553@0.8386717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2950 1 1 1429 1696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2856 1 1067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1240 1 1 1 1 1 1 1 1 1 1 899.553 *901.3461* 901.3461@0.8680019 1 1 1 1 1 1 1228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1080 1 1 1 1 1 1 1 901.3461 *901.3577* 901.3577@0.86352074 1551 1135 1475 1402 1355 1094 1 1263 1277 1024 1225 1 1109 1309 1729 1084 1 1 1455 1061 1462 1392 1 1144 1115 1 1 1118 1 1 1263 1311 1426 1071 1 1 1 1252 1636 1527 1 1475 1099 1341 1128 1027 1 1 1 1392 1 1 1 1 1 1 1100 1572 1 1 1 1136 1 1124 1449 1146 1599 1 1 1218 1285 1462 1 1032 1355 1059 1 1343 1 1022 1355 1222 1 1 1 1 1498 1 1159 1350 901.3577 *901.4837* 901.4837@0.8444908 1 1 1 1 1 1 1 1 1 1 1 1 1 1228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 901.4837 *901.5024* 901.5024@0.8405074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 901.5024 *901.5145* 901.5145@0.844499 1 1 1 1 1 1 1 1 1 1 1 1 1955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2406 1 1 1 1 901.5145 *901.5268* 901.5268@0.841253 1 1 1 1 1 2938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2962 1 1 1 1 1 901.5268 *901.5349* 901.5349@0.8442333 1565 1 1477 1 1 1 1 1 1 1 1 1 1 1 1711 1 1 1 1 1 1 1576 1 1 1 1 1376 1 1 1854 1 1701 1 1 1 1 1 1795 1 1 1 1 1 1 1 3278 1 1716 1 1 1 1 1 1 2971 1 1 1 1 1 1 1 1 3372 1 1 1 1 2950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 901.5349 *902.725* 902.725@14.858748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 902.725 *903.461* 903.461@0.84697515 1 1 1 1 1 1 1 1 1 1 1 1 1 2171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 903.461 *903.5146* 903.5146@0.84132355 1 1 1 1 1 1389 1 1 1 1 1 1 1 1 1 1 1296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 903.5146 *903.5252* 903.5252@0.8426668 1 1 1551 1 1 1 1 1 3018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1484 1 1 1 903.5252 *903.5353* 903.5353@0.85199827 1 1 1 1 1 1 1 1188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1500 1 1 1 1 1 1 1 1 1 1 1 1059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 903.5353 *903.685* 903.685@13.355531 21991 22542 24140 23976 23973 23768 24808 24457 25076 24045 17860 1 21922 1 23668 1 1 22255 24137 23459 1 24272 24142 1 1 1 22424 1 1 1 1 1 1 22462 1 1 1 21311 1 1 1 23653 1 1 22839 1 1 1 1 18245 1 19283 1 1 1 1 3823 1 1 1 16600 18277 18464 18404 16512 1 11060 16735 18748 1 18696 18491 3692 1 1 18940 2650 17179 1 10847 18244 18495 18434 17706 18469 18457 18291 18988 17387 16723 903.685 *903.6857* 903.6857@13.358916 1 1 1 1 1 1 1 1 1 1 5441 26574 1 24175 1 23764 23032 1 1 1 23531 1 1 24865 22440 24154 1 24395 22243 19447 1 24519 24827 1 23439 22126 24483 1 1971 23897 1 1 23973 23946 1 30877 21727 19152 20052 1 20889 1 1 20007 18201 17469 3937 17985 19952 18597 1 1 1 1 2732 17628 1 1 1 19014 1 1 6833 19552 16867 1 10390 1 18454 1 1 1 1 1 1 1 1 1 1 1 903.6857 *903.6867* 903.6867@13.383749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 903.6867 *903.6868* 903.6868@13.343892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22305 1 23144 1 1 1 1 1 1 1 1 1 1 1 18772 1 1 1 1995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4171 1 1 1 1 1 1 1 1 1 1 1 1 1 903.6868 *904.6877* 904.6877@13.352827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4886 1 1 1 1 1 7298 1 1497 1 1 1 1 2706 1 1 1 1 1 1 1 1 1 1 904.6877 *904.6913* 904.6913@13.387152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2372 1 1 1 1 1 1 1 1 1 1 1 1 3720 1 1 1 1 1 1 1 1 1 1 904.6913 *905.4722* 905.4722@0.8453501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3102 1 1 1 1 1 1 3900 1 1 1 1 1 1 1 905.4722 *905.505* 905.505@0.8399734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 905.505 *905.528* 905.528@0.8375045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 905.528 *905.5641* 905.5641@0.8329808 1 1 1 1 1 1 1023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 905.5641 *907.5082* 907.5082@0.8449915 1 1 1 1 1 1 1 1 1 1 1800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 907.5082 *907.5308* 907.5308@0.8415079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 907.5308 *907.5412* 907.5412@12.434359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21202 1 1 1 1 1 1 1 1 1 1 1 1 1 907.5412 *907.5432* 907.5432@12.432203 38999 9879 18213 22193 13550 29050 24169 22586 13423 22779 28252 36365 27567 21325 21144 28016 14057 13487 13649 23030 28599 13037 22303 25439 11978 23372 21924 15494 28454 7637 8264 7347 22423 1836 24406 34737 22700 14607 20306 21967 13061 21924 7658 20695 11620 24475 11115 9147 17761 13333 16639 7806 22300 23398 20617 20054 20589 24531 8018 6630 7423 23981 25030 29022 7362 32662 13156 19819 7884 19762 23750 12978 17976 25979 32015 16157 5585 26968 4012 26859 20473 11328 18845 10911 16046 18499 17101 20144 17089 19686 907.5432 *907.5435* 907.5435@12.416056 1 25958 13749 15162 22941 7530 12567 13011 8105 13220 7899 1 8272 13257 16025 8895 19442 23262 18480 13690 7148 22929 9910 10308 22812 11994 12796 20076 6923 11939 11181 12426 12658 25156 10648 1 11749 20307 13426 13162 21332 1 22891 14220 23271 11661 23902 1 13761 20485 13328 25396 11950 1 13537 12241 12973 8838 25089 12462 1 7208 7026 1 24835 1 17708 11499 9911 12788 6737 18674 14172 7619 1 15332 6662 1 27262 1 10907 17004 12083 20349 11939 13297 10767 11728 13743 11906 907.5435 *907.6406* 907.6406@12.349253 1 1 1 1 1370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 907.6406 *908.5471* 908.5471@12.429254 1 1 1 1 1 1 1 1 15939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11573 15315 15193 1 9108 1 1 1 1 1 1 1 1 1 1 1 1 1 15345 1 1 1 1 1 1 1 1 1 1 1 14167 13216 1 1 1 1 1 1 1 13488 1 1 1 1 1 1 1 1 4208 1 1 1 1 1 1 1 1 1 1 1 1 908.5471 *909.4952* 909.4952@0.8400125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 909.4952 *909.5157* 909.5157@0.8369856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 909.5157 *909.5382* 909.5382@0.839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 909.5382 *909.5481* 909.5481@12.436691 1 1 4367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1559 1 1 3438 1 1 1 1 1 1 1 1 1 1 1 1 1467 1 3340 1 1 1 1 1 1 1 1 909.5481 *909.5502* 909.5502@12.414444 1 1298 1 1 1 1 1 1 1 1509 1 1 1 1 1 1 3542 1 1 1 1 1 4000 1 1 1 1 1 1 1523 1 1 1 1 1 1 1 1 1 1 1 1 3381 1 1 1 1 1 3523 1 3654 1 1 1 1 1 1 1 1 1 1 1 1321 1477 1 1 1 1 1 1 1347 1 1 1 1 1 1 1 1 1647 1 1 1 1 3113 1 3184 1 1 1 909.5502 *909.5615* 909.5615@0.8329992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 909.5615 *911.4969* 911.4969@0.8424986 1 1 1 1 1 1 1 1 1 1 1 1 1553 1 1947 1 1 1 1 1 1 1 1 1 1 1 1890 1 1 1 1 1 1 1 1 5131 1 1 1 1 1 1 1 1 2309 1 1 1 1 1 1 1 1 1 1 1 1 1 1845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 911.4969 *911.5216* 911.5216@0.8430235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1738 1 1 1 1 1 1 1 1 911.5216 *911.5459* 911.5459@0.8374991 1 1 1 1 1 1 1 1418 1 1 1 1 1 1 1 1 1 1 1 1181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 911.5459 *913.4638* 913.4638@0.8400044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 913.4638 *913.4851* 913.4851@0.84133863 1 1 1 1 1 1 1 1 1 1 1 2336 1 1 1 1 1 1 1 1 3107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2759 1 1 1 1 1 1 1 1 1704 1 1 1 1 1 1 1 1 3327 1 1 1 1 913.4851 *913.5066* 913.5066@0.8405175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1435 1 1 1 1 1 1 1 913.5066 *915.4851* 915.4851@0.84501064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 915.4851 *915.5285* 915.5285@0.8370102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 915.5285 *915.5595* 915.5595@5.827307 1 1 1 1 1979 2006 1393 1 1333 1654 1 1 2629 2527 1 1 1 1 1565 1703 1 1 1 1 1 1 1 1 1 1 4584 4590 1 1 1 1 1797 2207 1073 1022 1 1255 2182 1771 4133 1 1820 1 1 1 1 1 1968 1073 1 1 1 1 1 1 1 1 1 1 1516 1550 1 1 1 4462 1 3371 1 1 1 1 3180 3189 1138 1295 1 1 1 1 1 1 1 1 1 1 915.5595 *917.411* 917.411@0.84199107 1 1 1024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 917.411 *917.4273* 917.4273@0.8450011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 917.4273 *917.4677* 917.4677@0.8440152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 917.4677 *917.4863* 917.4863@0.8430056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 917.4863 *919.4809* 919.4809@0.8400044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 919.4809 *919.68* 919.68@14.578849 49747 48584 46799 49374 51798 52655 48861 1059 47638 51813 49522 48253 47046 48079 50437 48739 47984 49186 50608 50682 50376 50482 47189 46152 1 46645 49080 48313 44243 46906 51121 48791 48285 46485 49296 45030 1 49139 44844 46545 44359 46139 47734 49796 58210 48796 45943 46177 45219 42860 43617 46087 49177 45530 43435 46574 39504 43885 44651 47024 38386 43790 39086 40544 45862 46004 44167 45660 46663 44286 45096 1780 41723 47415 45933 41883 44404 47182 44144 45174 43010 48558 41755 44389 44597 48585 43823 44588 43913 44552 919.68 *919.6817* 919.6817@14.607912 1 1 1 1 1 1 1 50032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51405 1 1 3234 1 1 1 1 1 1 1 1 48291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2978 1 1 1 1 1 5866 1 1 1 1 1 1 1 1 41042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 919.6817 *919.6843* 919.6843@14.729838 1 1 1 1 1 1 1713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3190 1 1 1 919.6843 *920.685* 920.685@14.667184 1 1 1 1 1 1 1 1 1 1 1 1 2115 1591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 920.685 *921.0023* 921.0023@1.116466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0023 *921.0024* 921.0024@1.3468314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106811 160429 1 112603 1 1 1 1 1 1 1 56835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0024 *921.0024* 921.0024@1.7974746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 68002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0024 *921.0024* 921.0024@0.6163361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239196 156956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166111 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0024 *921.0025* 921.0025@0.71379006 84186 643433 1 536403 562611 538884 648597 463224 274423 638476 204950 706384 628388 711608 251261 497832 284376 569213 491106 578327 542335 111213 124791 250347 591179 496641 219965 123209 804993 185497 550607 154599 307938 523641 624360 725259 232482 792606 566351 174443 536744 128307 243803 517214 506309 146154 268978 138451 965411 853054 184129 542360 279382 534804 842245 475671 502014 296582 501346 387754 322900 545997 575160 473537 143873 330581 592138 786737 143480 146253 166672 461349 202842 413654 134930 135333 486793 777788 127901 159035 437594 543700 525268 483945 220188 207503 439222 130014 559460 444048 921.0025 *921.0025* 921.0025@0.8180372 401213 1 1 1 43753 1 1 579168 568345 1 948901 1 57620 1 935207 39598 273580 1 1 50452 51176 44709 520408 466157 46484 1 690925 50041 35859 519950 1 55270 669677 1 102057 1 55627 1 1 57355 511973 26068 480054 70558 1 41777 684190 646629 1 1 53626 155144 57587 1 1 299074 51673 65406 1 607404 421763 1 50820 37662 406588 599054 55585 1 737636 455073 518028 448796 55857 551004 697048 558128 143284 60849 661643 817202 1 1 1 37373 808950 608162 53552 494229 1 1 921.0025 *921.0025* 921.0025@1.2593961 1 1 1 199556 1 1 1 1 1 1 1 1 1 1 1 347125 1 1 1 1 244618 1 1 1 391755 1 1 574038 1 1 1 293437 222061 1 430780 1 1 1 127668 1 1 1 283115 201986 1 1 1 1 1 1 1 1 1 1 1 1 46261 1 1 1 1 1 211929 403627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80209 1 1 1 1 921.0025 *921.0025* 921.0025@12.164357 1 1 1 1 1 46151 1 47099 1 1 1 57799 1 1 46443 1 1 1 1 1 1 1 1 1 1 29993 1 1 1 1 1 1 1 1 1 39135 1 1 1 1 1 1 41624 1 1 1 1 1 58659 1 1 1 1 1 1 48986 43694 1 1 42083 1 43317 1 1 1 1 44114 1 1 1 1 1 1 1 1 1 1 47154 1 1 1 1 1 1 1 1 75369 1 1 1 921.0025 *921.0025* 921.0025@0.72996265 1 1 1 1 649527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388156 658327 1 1 1 1 1 542792 1 1 1 505165 1 1 1 1 518055 1 1 587993 1 498240 1 49932 1 709025 184690 1 1 1 637712 145035 628582 1 1 184750 1 541941 1 1 142630 1 1 481833 525605 251578 1 1 1 1 216182 1 644961 1 1 1 325532 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@1.130713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 92842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58465 67087 1 44819 1 1 1 1 1 1 1 196967 77035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@2.1011343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49149 1 1 1 1 1 1 1 1 82887 1 1 1 1 1 1 61319 51219 1 1 1 1 1 1 1 1 1 54928 46809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213067 1 1 1 1 1 1 1 1 1 1 1 1 177009 1 1 1 1 921.0025 *921.0025* 921.0025@2.5065918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@2.798089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56045 439119 1 50963 1 1 1 1 1 1 1 1 243062 1 1 1 1 1 196346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78511 1 1 1 1 921.0025 *921.0025* 921.0025@10.875715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49683 1 1 1 1 1 1 1 46992 1 42900 61513 1 1 1 1 1 35183 1 44640 1 1 1 1 1 1 1 1 1 73076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58364 1 1 1 921.0025 *921.0025* 921.0025@3.256546 1 1 1 96552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116158 1 1 1 1 1 1 1 1 1 1 1 175731 1 83119 1 1 1 1 1 1 1 1 1 115373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196955 1 1 1 1 1 1 1 1 1 1 182386 1 1 1 1 1 1 1 137665 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@3.7183673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 64021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40336 1 1 117194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91228 1 1 1 921.0025 *921.0025* 921.0025@9.960242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55939 1 1 1 1 1 1 1 1 1 1 1 1 1 56800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56842 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@13.950122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 53777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45796 1 1 1 65929 1 1 1 1 1 1 77583 1 1 1 1 921.0025 *921.0025* 921.0025@8.326601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91142 1 1 1 1 1 1 1 69004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@4.8653493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116610 1 1 1 69497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@1.9610363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136838 1 1 1 1 921.0025 *921.0025* 921.0025@7.4248676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@0.65400016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@0.92799264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@1.4409869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@13.056834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67068 1 1 1 1 1 1 1 1 116777 1 1 1 1 1 1 1 1 1 1 95811 1 1 1 1 1 1 1 1 51271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@5.7433662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@6.550075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 75984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@4.175151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.2638* 921.2638@14.126483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1362 1 1 4757 1 1 1 1 1 1 1 1 1 1 1 2552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2200 1 1 1 1 1 1 1 921.2638 *921.3581* 921.3581@1.4340241 1 1 1 1 1 1 1 1 1 1 1 2361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4102 921.3581 *921.3619* 921.3619@0.72750086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.3619 *921.4805* 921.4805@3.8842266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1543 1 1 1 1 1 1 1 1 1 1 921.4805 *921.5083* 921.5083@1.361036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2843 1 1 1 1 1 1 1 1 1 1 1 1 1 921.5083 *921.5135* 921.5135@0.77101046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.5135 *921.5436* 921.5436@0.739013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.5436 *921.5649* 921.5649@0.76001596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2899 1 1 1 1 1 1 1 1 1 1 1 1 1 921.5649 *921.5673* 921.5673@1.3640124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.5673 *921.6283* 921.6283@1.3820074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.6283 *921.6604* 921.6604@2.247086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.6604 *921.7508* 921.7508@2.2200646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.7508 *921.7831* 921.7831@1.6640253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.7831 *922.0036* 922.0036@6.008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.0036 *922.0037* 922.0037@0.82732725 1 1 107407 1 1 1 93925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.0037 *922.0039* 922.0039@0.6546987 1 1 27107 1 1 1 57417 1 1 1 1 1 1 27836 1 1 1 1 1 1 1 1 1 1 38607 1 1 29144 1 55033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24901 1 29116 1 1 1 23662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22962 922.0039 *922.0039* 922.0039@2.4080782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.0039 *922.0039* 922.0039@0.7030052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.0039 *922.004* 922.004@1.771248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.004 *922.0041* 922.0041@1.3247799 1 1 1 1 1 1 1 1 22307 1 1 1 1 1 1 26008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38314 1 1 63985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.0041 *922.0044* 922.0044@2.8875854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.0044 *922.2487* 922.2487@3.2270832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.2487 *922.2709* 922.2709@0.7670023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.2709 *922.3061* 922.3061@2.7611032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1864 1 1 1 1 1 1 922.3061 *922.313* 922.313@2.2300541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.313 *922.3358* 922.3358@1.412022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.3358 *922.3547* 922.3547@3.234165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.3547 *922.3548* 922.3548@1.332009 1 1 1 1 1 1 1 2380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.3548 *922.3973* 922.3973@0.7829927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.3973 *922.4297* 922.4297@2.6328778 1 1886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.4297 *922.4414* 922.4414@0.7780147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.4414 *922.5333* 922.5333@0.6890041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.5333 *922.5756* 922.5756@0.7650071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.5756 *922.5796* 922.5796@2.2750561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.5796 *922.6096* 922.6096@0.77102333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.6096 *922.6328* 922.6328@0.76599187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.6328 *923.0051* 923.0051@1.3280222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2153 1 1 1 1 1 1 1 1 2335 1 1 2157 1 1 4696 1747 1 1 1 1 1 1 1 1 1 1 9151 1 1 1 1 1 1 1 1 1 1 1 1 1 4163 1 1 13078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 923.0051 *923.0053* 923.0053@1.2799193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 923.0053 *923.0056* 923.0056@2.5010023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 923.0056 *923.0062* 923.0062@0.6751605 4915 1 4145 1 1 1 21192 1 1 4381 1 1 1 1 1 1 1 1 4344 3220 1 1 1 1 1 5724 6204 1 4122 1 1 1 3656 8698 1 1 1 3568 3109 1 2140 4663 1 1 1 3062 1 1 17360 1 1 1 5268 1 1 4518 5416 6214 1 1 1 3517 1 1 1 6520 9215 1 8693 1 1 1 1 3185 3668 1028 1 1 1 4341 4442 1 8675 1 1 1 1 10104 1 1 923.0062 *923.0062* 923.0062@1.1012185 1 1 1 1 4133 1 1 1 1 1 1 1 1 1 1 3229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 923.0062 *923.0063* 923.0063@9.626125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 923.0063 *923.0066* 923.0066@6.120037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 923.0066 *923.0068* 923.0068@5.3428645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2257 1 1 1 1 1 923.0068 *923.0081* 923.0081@0.6381664 1897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3756 1 1 1 1 1 1 1 1 1 3667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2551 1 1 1 1 1 1 1 1 1 1 1 1 3729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 923.0081 *923.441* 923.441@0.8529727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 923.441 *923.4502* 923.4502@0.8440155 1 1 1 1 1 1 1 1 1098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2327 1 1 1 1 1 1 1 1 1034 1 1 1 1 1 1 1 1 1 1 1 1 3376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 923.4502 *923.4669* 923.4669@0.84311116 1 2801 1 1 1 1 1 1 1 1 1 2574 3640 1 1 1 1 1 1 1 1 1 1 1 1 1 2531 1 1 2405 1 1 1 1 1 1 1 1 1 1 2608 1 3029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1982 1 1 1 1 1 1 1 1 1 1 1 1 923.4669 *923.4846* 923.4846@0.8440017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 923.4846 *923.504* 923.504@0.84000206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3155 1 1 4780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 923.504 *924.0029* 924.0029@0.7630021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 924.0029 *925.4572* 925.4572@0.8429318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1064 1 1365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1597 1 1 1 1 1073 1 1 1322 1 1 1338 1 1 1 1 1 1 1088 1 1057 1 1 1 1 1 1 1 1268 1 1 1002 1 1 1 1 1 1128 1147 1 1 1 1 1 1 1 1 1 1 1152 1 1 925.4572 *925.4626* 925.4626@0.84141076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2297 1 1 3080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1061 1 1 1 1 1019 1 1 1 1 1 1 1110 1 1 1 1 1 1 1 1 1 925.4626 *925.4811* 925.4811@0.8429848 1 1 1 1 1 1 1 1 3009 1 1 1 1 1 1 1 1 2764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 925.4811 *927.4396* 927.4396@0.8439958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 927.4396 *927.4455* 927.4455@0.84220445 1 1 1121 1021 1 1 1 1 1 1408 1 1 1 1 1 1 1 1 1 1 1 1 1 1138 1 1 1 1 1 1369 1 1 1264 1 1352 1 1 1 1312 1 1 1201 1 1 1031 1 1 1224 1104 1 1 1 3504 1 1968 1 1 1342 1 1 1 1 1 1 1 1 1 1113 1 1 1 1 1124 1 1 1 1 1285 1 1154 1031 1 1 1 1 1 1 1 1 1 927.4455 *927.4584* 927.4584@0.84176254 1 1166 1 1 1 1 1 1329 1 1 1 1062 3103 1131 1403 1 1127 1 1 2463 1 1331 1 1 1 1 1 1074 1 1 1 2786 1 1 1 2675 1 1337 1 1210 2371 1 1337 1 1 1236 2384 1 1 3141 1 1 1 1 1 1197 1068 1 1 1159 1 1218 1 1 2528 1 1 1 1589 1 1 1 1 1044 1 1 1011 1 1 1 1 1160 1 1 1965 1 1 1 1 1 927.4584 *927.6111* C24:1-OH Sulfatide 11697 12271 8989 12426 12398 11973 12486 12125 12096 11745 11418 11783 11722 11676 11445 11785 10973 11350 12112 11405 10985 11455 11088 10984 11157 11349 11345 10947 11286 10956 10313 10741 10531 10701 10747 10331 10813 10109 10246 10317 10221 10106 9792 9720 9697 9218 8816 8789 8855 8188 8277 8399 8187 8256 8356 6637 7200 7909 7338 7587 7426 7082 7012 7618 7543 7099 6914 6896 6705 6644 7373 7116 6894 6810 6294 6499 6360 6566 6195 5997 6683 6732 7020 6380 5771 6508 6321 6440 6333 6167 927.6111 *927.6124* 927.6124@11.211589 1 1 3224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 927.6124 *929.4419* 929.4419@0.8425694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1012 1 1 1 1 1 1 1 1900 1 1 1171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1414 1 1 1 1 1 1290 1 1 1 1 1 1 1 1026 1 1240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 929.4419 *929.4609* 929.4609@0.8405034 1 1 1 1 2308 1 1 1 1 1 1 1223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1038 1 1 1974 1 1 1 929.4609 *931.4512* 931.4512@0.84165853 1 1 1 1 1 1 1 1 1153 1 1 1 1 1 1 1 1 1 1 1 1055 1 1 1 1 1 1 1 1 1 1 1 1 1 1068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 931.4512 *931.4658* 931.4658@0.84063333 1 1 1 4269 1 1 1 1 1 1 1 1 1 1 4232 2137 1 1 1 1 1 1 1 2180 1 1 1 1 1 1 1 1 2186 1 1 1 2865 1 1 1 1 1 1 1 1 1 1 1 1 2758 1 1 1 4088 1 1 1 1 1 1 1 1 1 1 2708 1 1 1 1 1 1 1 1 1 1 1 1 2330 1 1 1 1 1 1326 1 1 1 1 1 1 931.4658 *933.4725* 933.4725@0.84064865 1 4847 1 1 1 1142 1108 1 2540 1 1 1000 1 1 1 1 1 1 1 1051 1 2370 1137 1 2482 1 1 1 1 1 1 1 1 1 1 1 1 2767 3125 1 3864 1 1298 1 1 1 1 1112 1 1 1 1 1 1 1 1 1 2818 1 1 1 1 1 3238 1 1 1 1135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2828 1 1 1000 1 1006 1 933.4725 *933.4763* 933.4763@0.84175944 1 1 3861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2870 3137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 933.4763 *933.4789* 933.4789@0.84020984 1 1 1 1 1 1 1 2347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2634 1 1 1 1 1 1 1 1 1 4863 1 1 1 1 1 1 1 1 1 1039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6132 1 1 1 1 1 1 1 933.4789 *935.4719* 935.4719@0.8412024 1 1 1 1 1 1175 1 1 1 3246 1 1 2906 1 1 4523 1 1 1073 1 1 1 1 1 1 1 1 3877 2893 1167 1 1 1 3012 4309 1 1 1 1 1184 1 1 1307 2501 1 1 1 1 3682 1 1 1 3768 1 1 1 1 1 4249 3516 1 1 1 1 1 1 1 1 2572 1061 1 1156 1 1 1 4539 1 1191 4079 1 1 1 1 1 2929 1 1 1 1 2898 935.4719 *935.475* 935.475@0.8407577 3462 1 1 1 3427 1 1 1 1 1 1 2438 1 4483 1 1 4544 1254 1 1 1 1 4803 3147 1 1 1236 1 1 1 3330 2683 1091 1 1 1 2920 1 1 1 1 1 1 1 1 1 1191 3238 1 1 3479 1 1 1 1240 1150 1 1 1 1 1269 1150 4295 1 1 1136 1161 1 1 1 1112 1 1 1 1 1 1 1 1 2820 1332 1 1 1 1 1 2654 1062 1 1 935.475 *937.4661* 937.4661@0.84113944 1 1 1 1 1 3632 1 1 1349 1 1 1 1 1 1 1 1 1201 1 2604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2441 1 1 1 1 1 1 1 1 1 1 1 2637 1 1 1 1 1 1 1 1 1 1269 1207 2539 1135 1 1 1 2730 1 1 1060 1 1 1036 1 1 3656 1127 1 1 1 1 1 1 1 1 937.4661 *937.4739* 937.4739@0.84062195 1 1 1 1268 1 1 3897 1 1 1 4093 1 1 1 2901 1 1 1 1287 1 3109 4243 1 1 2229 2593 4270 1 1 1093 1 1 3024 1 1 1 1 1 3098 1107 1 1211 1 1 2915 3831 2354 1 1 4573 1 1 1 2574 1 1099 1074 3132 1 1 1 2138 1 1 1 1 1 1 1 1122 2936 1 1311 1 1 1 1 1 1 1 1 1 1 1088 1 1 1 2240 1 1 937.4739 *939.462* 939.462@0.84100413 1 1 2617 1 1 1 1 1 1 1 1 1 2783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1265 1 2097 1 1 1 1 1 2981 2653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4599 1 1 2276 1 1 1 1 1 1 1 1 1 1 1 1154 1 1 1 1 1 1 1 1 1 1 939.462 *939.4666* 939.4666@0.8423371 1 1039 1 1225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1069 1 1 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 2369 1 1 1 3549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 939.4666 *939.4688* 939.4688@0.8399568 1 1 1 1 1049 1 1 1 3427 1 1 1 1 1 1 1 1 1060 1 1 1 1 1 1 1 1 1 1 1 1 1099 1 1 1 1 1 1 2684 1 1 2170 1 1 1 1 1 1 1 1421 1 1 3782 1322 1 1 1143 1192 1 1 1 1 1 1 2544 1 1129 1 1 1069 1 1 1 1208 1 1 1 1 1 1 1 1 2369 1 1 1 1 2299 1 2847 2592 939.4688 *940.4738* 940.4738@0.8419823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 940.4738 *940.4867* 940.4867@0.8400083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 940.4867 *941.4613* 941.4613@0.8416775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5358 1 1 1 1 1 1 1 1 1 2591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 941.4613 *941.467* 941.467@0.8412147 1 5105 1 2581 3126 2367 1 1 1 1 1 1 1 1067 2467 1 3913 4065 2375 2670 1 1 2783 2535 1 2455 1 1042 1 1 1 2221 1 1193 1 1 1 1 1 1 1 1 4573 1 1 1 2467 1 1104 1 1 1 3911 1 1 1 2476 1059 1 1 1 1 1042 1 1 1 1 1 1 1 1034 1 2908 1 1 1 1 1 1 1 1 1 4806 1 1 1484 1 3815 1 1 941.467 *941.4862* 941.4862@0.84074354 2509 1 1 1 1 1 1 1 1 1 1 4472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 941.4862 *941.6239* 941.6239@11.873631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8172 1 1 1 941.6239 *941.6265* 941.6265@11.855212 10708 10965 10915 10709 11321 10969 10846 10597 10595 11518 11051 11065 10949 11222 10866 9566 11245 10970 11031 10984 10571 10859 11491 11082 11056 10580 11292 11397 11244 11357 11229 11925 10221 11121 10625 10048 11864 9890 10851 10516 10639 10049 10938 10003 11586 9716 9581 10093 10249 9605 9385 10452 9864 9926 10178 9225 7542 8902 10160 9582 8593 9818 8911 9072 9382 9455 8653 9437 9171 8784 9365 9275 9042 9438 8939 8623 8678 8031 7904 8077 8207 8222 7639 7560 8328 7381 1 7358 8466 8746 941.6265 *942.9815* 942.9815@3.2730627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7415 1 1 1 1 6974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 942.9815 *942.9817* 942.9817@2.3876097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7487 1 1 6064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 942.9817 *942.9818* 942.9818@0.63296 1 1 1 1 1 1 9852 1 1 1 1 1 1 1 4255 1 1 1 1 1 8828 1 1 1 1 1 1 8561 9665 1 4405 5941 1 1 1 4443 7707 7470 1 1 1 1 1 9794 1 1 1 1 1 1 1 1 1 1 1 1 9588 1 1 1 1 1 1 1 9160 1 1 1 1 1 16450 1 1 1 12157 1 1 6162 4557 7590 11060 1 1 1 1 7373 1 6452 1 1 942.9818 *942.9818* 942.9818@0.7274321 1 1 1 1 1 8247 1 1 6906 11020 23036 1 7153 13386 14972 9275 1 1 1 1 1 19701 1 1 19406 23998 1 13188 16789 18035 16623 11511 18588 8711 15285 1 4998 1 13565 8600 1 1 6829 1 19736 17841 17364 6975 8883 11034 19965 13962 11709 19796 17251 1 5071 23079 4554 7708 18653 13325 6259 13527 1 10301 6785 18454 16453 1 7945 1 13853 9288 12492 5724 1 10174 17156 1 1 9168 10891 5601 14606 19289 11546 18348 10366 1 942.9818 *942.9818* 942.9818@1.813661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 942.9818 *942.982* 942.982@0.6786258 4727 1 11375 1 1 1 1 1 1 1 1 1 8600 1 3945 1 9936 1 1 17707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4707 1 1 1 4162 1 1 1 1 1 1 4296 1 1 1 1 5637 1 1 1 1 1 1 1 1 5185 1 1 1 9231 5060 1 1 1 6379 1 8666 1 942.982 *942.982* 942.982@10.350461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 942.982 *942.9821* 942.9821@1.0769001 1 13679 1 1 12742 9739 17629 1 13235 1 1 1 13663 6415 11692 4273 11515 15881 3708 8775 1 1 1 1 16329 1 3519 10414 1 4151 1 1 1 11840 2454 1 12185 1 8264 10157 11171 8603 1 5739 18870 1 1 3991 11123 4269 1 1 6509 1 8621 1 8038 1 11299 1 1 1 1 9705 1 1 6532 1 1 6464 1 1 1 1 1 7734 1 1 9670 1 1 1 1 1 1 6258 1 1 7330 4812 942.9821 *942.9821* 942.9821@1.3542911 1 1 1 1 1 1 5246 1 1 1 1 1 1 1 1 6409 1 1 1 1 1 1 1 1 6360 1 1 1 1 1 1 4868 1 1 1 1 1 1 5422 1 1 1 1 3417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7511 1 1 1 1 1 1 1 1 1 1 1 942.9821 *942.9821* 942.9821@1.4209031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 942.9821 *942.9822* 942.9822@1.1900002 1 9652 1 19048 25135 9320 9025 11153 9659 6560 1 1 8616 1 18787 3727 9379 11541 8351 1 7867 7916 1 1 7447 1 5434 5855 1 16933 1 9899 1 4816 8257 13052 7066 13600 6635 7102 12005 11858 6539 10623 11661 7545 9562 10838 1 1 1 1 10873 8904 19296 1 9939 1 1 1 1 5551 1 1 11871 1 1 1 1 1 6996 1 1 1 7848 1 14784 1 11395 7849 7677 1 1 1 1 16619 1 12178 9871 1 942.9822 *942.9822* 942.9822@1.9079894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5470 7086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7717 1 1 1 1 11705 1 1 1 1 5743 1 1 1 1 1 1 1 1 1 1 1 1 4099 1 1 4766 1 1 1 5905 5616 1 1 1 1 1 1 1 1 4613 1 1 1 1 1 1 1 1 8908 1 1 1 1 1 5911 1 1 942.9822 *942.9823* 942.9823@1.0213912 1 6873 3260 1 1 6941 1 1 1 1 1 1 1 1 1 7217 2217 1 1 5347 1 1 1 1 1 2727 4212 1 1 1 1 1 1 1 1 1 5498 2894 4406 1 1 6377 1 6923 1 10077 1 1 1 5506 1 1 1 1 1 1 3853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2706 1 1 1 1 6770 1 3517 3634 1 1 1 1 1 2540 1 3652 7378 1 942.9823 *942.9824* 942.9824@1.3773206 1 1 1 12829 1 1 4348 1 16480 1 1 1 1 1 1 3092 5870 1 1 1 1 10407 1 10390 5395 1 1 1 1 1 1 8987 1 11484 4129 1 1 1 10834 1 1 1 7724 17433 1 1 12068 1 1 1 1 1 1 13104 1 1 1 1 1 1 1 12334 1 5680 1 5186 1 1 1 1 1 1 1 1 1 1 1 1 9538 7695 8902 1 1 1 1 1 1 1 1 1 942.9824 *942.9824* 942.9824@2.0360475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 942.9824 *942.9827* 942.9827@2.8776846 1 1 1 1 9262 1 1 1 6788 1 1 1 1 1 1 1 1 1 1 1 1 3933 1 1 1 1 6344 1 1 1 1 1 1 1 1 6545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9873 1 1 1 1 5930 1 7043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8434 1 1 1 1 1 1 1 1 1 1 1 1 942.9827 *942.9828* 942.9828@0.7980373 19627 22481 19700 21513 27260 22861 20381 19757 20080 22478 20270 24510 21749 20148 23715 22126 19944 18678 21009 18891 24402 23363 20722 20073 22279 22815 22757 22607 22775 22181 24084 21410 22958 23364 20565 21049 19653 23501 20808 24414 20197 22931 20650 20978 20395 21805 20610 22664 18704 19859 21419 20776 19337 19818 23878 21394 19235 26215 20232 19812 19684 19348 21255 21916 21850 21868 21539 22014 20522 20611 20929 23573 21323 21285 20299 20772 19969 21162 19883 19405 18879 20911 22640 20609 21748 22547 20660 21885 20096 17740 942.9828 *942.9829* 942.9829@3.6391764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 942.9829 *942.9831* 942.9831@0.8586176 4423 3607 5383 4716 4901 5644 4553 4885 4268 6540 4866 5409 7042 4235 4674 6141 5604 3833 4924 5079 1 6128 5742 6556 4891 6115 4615 5058 6644 5134 1 5106 6567 6673 4027 4340 1 5202 5690 1 3353 6519 4624 5239 4964 6020 5333 3630 4037 1 6234 4844 5221 2924 5746 7039 5126 8856 5227 3238 5682 4113 5645 5204 5398 4491 3515 5174 5095 5926 3316 5786 6937 3889 1 1 4322 5422 4794 5073 4074 4359 4503 3679 3784 4948 5167 5190 5006 3255 942.9831 *942.9836* 942.9836@4.2245674 1 1 1 1 1 1 1 1 1 1 1 1 12830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 942.9836 *942.9837* 942.9837@11.079945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 942.9837 *943.4802* 943.4802@0.84056145 1 1 3100 1 1 1 2102 1 1 1 1 1 1 3682 1 1 1 1 1 1 1 2740 1 1 1 1 3083 3777 1 1 1 1 1 5467 1 1 1 2955 1 1 2658 1 1 1 1 1 1 1 1 1 3157 1 1 1 1 1 1 2629 1 1 1 1 1 1 1 1 4461 3676 1 1 1 1 1 1 1 1 1190 1 2820 1 1135 1439 1 1 1156 1 1 1 1 1 943.4802 *943.4824* 943.4824@0.84072167 1 1 1 1 1 1 1 3433 1 1 3062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5179 5347 1 1023 1 2435 2534 3067 1 1 1 1 1 1 1203 1 1 1 1 1 3134 1 1 1 1 2414 1178 1 1 4176 1 1 1195 1592 3274 1 1 1 1 1 1 1 1106 1 1 2648 1 1 1 1 1 1 1 1 4274 1 1176 1 1 1136 1 943.4824 *943.9836* 943.9836@2.761535 1 1 1626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1949 1 1 1 1 1 1 1 1 1 1 1 943.9836 *943.9841* 943.9841@0.66098666 1 1 1 1 1 1 1444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 943.9841 *943.9843* 943.9843@0.7074983 2418 1 3165 1799 1 1473 1177 1538 1 1 1 2070 1 1727 1 1 1900 1 1 1990 1 1 1 1 1865 3096 3686 1 1679 1 1 1 1 1 1 4084 1 1 1 1 1375 3862 1 1 1 1193 1 1 1 1772 1 1 1 1 1732 1 1 1568 1 1 1 1 1 1 1 1 1 1 1 1 1 3014 1 1 1 1 1 1314 1 1 1 1 1 1 2078 1 1 1 1 1 943.9843 *943.9851* 943.9851@1.1558465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2486 1 1 1 1 2063 1 2122 1 1 1 1 1 1 1 1 1 1 1267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1413 1 1 1 1 1 1 943.9851 *943.9858* 943.9858@1.4007179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2120 1 1 1 1 1 1040 1 1 1 1 1 1 2875 1 1 1 1 1 1 1 1 1 1 943.9858 *943.9859* 943.9859@2.2684898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 943.9859 *943.9881* 943.9881@1.9260659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 943.9881 *944.506* 944.506@0.8399734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 944.506 *945.4902* 945.4902@0.840248 1 1 1 3133 3141 5160 1952 1 3069 1171 1 1 1 1 1 1 5443 1 4295 3083 1543 1 3672 4534 1261 1 1 1 1227 1 1 3033 4500 1 1321 1207 1 1 1 1 1 5578 1 1 1 1232 1 1 3176 1 1 1 1 3288 1 2589 3568 1 1 2956 1 2934 2785 1 2909 1 1 1 1208 2347 1069 1266 1 1 1 1134 4234 1 1 1038 1 3064 1 1 3051 2834 1100 1 3079 3291 945.4902 *945.4995* 945.4995@0.8400008 3413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6297 1 1 1 1 1 1 1 1 1 1 1 1 1385 1 1 1 1 1 1 1 1 1 1 1 1 1206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 945.4995 *947.4874* 947.4874@0.83980805 1 3420 1402 1 1 1 1 1 1 3213 3358 1 2792 1 1540 3311 1 3301 1 1 1608 2614 1 1 1 1400 1184 1 2731 1 1 1 1 1 3376 2978 3293 4328 1575 1 2723 1 2597 3078 1 2795 1 1 1 1300 1237 1 3275 1 2798 1 1 1284 1 1 1 1 1 1 1 1 1 1 2961 1342 2479 3082 1506 3319 2355 1203 1 1060 1039 2938 1367 1 1 1 1 1 2726 3061 1 1 947.4874 *947.5015* 947.5015@0.83966494 1 1 1 1 1 1 1537 1421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 947.5015 *947.7089* 947.7089@13.229487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3458 947.7089 *947.7095* 947.7095@13.257541 4521 1 1 1 21389 1 1 1 1 1 1 20710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1616 1 1 1 5390 21055 1 18998 1 1 1 1 1 1 15244 1 1 1 1 1 1 1 17062 5702 1 1 1 1 1 6794 1 1 1 14793 1 1 15788 1 1 1 1 1 1 15440 1 14504 1 1 14822 1 1 1 1 1 1 1 15098 1 1 1 3219 1 7770 947.7095 *947.7101* 947.7101@13.243898 15179 19682 19566 12400 1 21336 12740 19561 21788 19154 19652 1 21196 17556 18493 21290 16984 18112 19915 20611 19132 21077 21551 20953 19408 20971 18195 10526 18647 21383 21364 10752 1 19023 1 17726 19909 19092 19981 17702 18847 3908 19061 11794 19273 26729 17553 17293 17416 1 4406 3962 8981 15997 15382 14002 1443 15722 15870 16151 1 15751 16075 1 14423 15348 16486 16017 15213 15447 1 13803 1 14144 15017 1 10983 15643 5103 13778 17247 15009 14834 1 11566 13173 4314 1 14085 1 947.7101 *947.7126* 947.7126@13.276552 1 1 1 1 1 1 1 1 1 1 1 1 1 3875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1519 1 1 1 1 1 5717 7155 1 1 1 2864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3205 1 3421 1866 1 1 1 1 2778 1 11199 1 1 1 947.7126 *948.7141* 948.7141@13.240645 1 1 1 6948 1 1 7756 1411 1 1613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4437 1 1 1 1787 1 1 1 1 1 1 1 7507 1 1 1 1 1 1 6641 6837 1 1 1 1 1 1 1 2158 1 1 1 1883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6724 1 1 1 1 1 1 1 1 5251 1 1 948.7141 *949.4748* 949.4748@0.84301156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 949.4748 *949.4829* 949.4829@0.84084433 1 1 2774 3298 1286 1 2457 1 1 1 1 1 1 1454 4028 1 1 1 1 2703 2491 1 1 1 1 2672 1 1 1 1203 1 1010 1 1 1 1 1 1 3271 1 1 1 1 1 1 1 1897 1 4669 2691 1346 4183 1 1 1 1 2828 2841 1 1 1 2939 1 3890 2985 2284 1 2048 1 1146 1 1 3393 1 1 1201 1 1 2563 1 1 1085 1 1730 1232 1 1 1 1 1 949.4829 *951.4671* 951.4671@0.84201515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1103 1 1 1 1 1 1 1 1 1 1 2442 1 2457 1 1 1 1 1 1 1 1 1207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1293 1 1 1 1 1 1 951.4671 *951.4706* 951.4706@0.83973765 2280 1 1 1 1 2110 1 1 2211 1 2774 3922 1098 1 1 1915 3760 2430 1250 1 1 1234 2192 1169 1142 1 1 1220 1 1 1 1 2266 1 1 1 3099 1 1 1 1184 1 1128 1 1 1 2980 3093 1 1 2705 1 1 1 1 1 1 1 1 1 1258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2240 1 1 1105 1 1 1 1 2022 1 1 1566 1 1 951.4706 *951.4947* 951.4947@0.83753765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 951.4947 *951.5689* 951.5689@12.415467 22873 32533 23185 26595 42183 21418 20546 24353 25882 31512 22682 24407 20707 24106 14055 23800 22419 29913 38816 23271 21233 13380 22578 38764 38544 25465 22118 30996 37965 20428 1 21163 11423 24860 31754 20953 20514 24836 12478 15463 25099 24526 1223 23346 26520 24025 24560 22763 22956 30160 20725 29906 12091 21588 37447 37620 17729 18591 20452 19462 36318 20097 22184 38531 18321 18350 23286 21294 19154 22099 18461 26147 23541 22926 28564 12079 11889 21530 31331 17388 20784 11596 21063 2632 12243 20033 21929 22394 21547 19051 951.5689 *951.5694* 951.5694@12.372677 10984 8349 18069 13465 1 15070 15493 17443 14913 9176 1 15819 20709 17403 26733 16172 13720 10147 1 17663 14225 24399 16191 1 1 13095 16143 8489 1 18395 8545 14042 9822 14546 6815 13275 13272 13416 13196 19556 14237 14602 8013 15283 13668 16507 14231 16814 16383 7995 12449 7548 9194 16510 1 1 19009 18709 13272 17461 1 12046 14847 1 14224 14754 15373 11534 16976 15025 17691 8719 12729 14401 8110 7830 22280 13379 1 13792 11453 21804 14556 32426 7864 14867 13482 13307 13028 15911 951.5694 *952.5731* 952.5731@12.393382 4128 1 1 1 1 1 1 1 1 1 4978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18191 1 17514 1 1 1 1 1 12355 1 1 1 17764 1 1 1 1 1 1 1 1 1 17242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16122 1 1 1 1 1 1 1 1 11385 1 1 1 1 1 952.5731 *953.3186* 953.3186@0.8608011 1 1781 1579 1256 1936 1 1 1 1061 1167 1 1388 1252 1431 1271 1231 1445 1 1634 1292 1158 1 1564 1433 1398 1 1 1229 1344 1365 1218 1 1163 1660 1236 1 1336 1 1976 1436 1 1 1561 1605 1421 1 1 1 1 1079 1 1258 1343 1 1 1 1 1682 1171 1 1121 1 1092 1 1651 1 1 1 1158 1 1657 1686 1453 1442 1133 1 1 1 1 1330 1454 1450 1274 1 1 1 1346 1 1 1 953.3186 *953.4738* 953.4738@0.8420011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 953.4738 *953.4971* 953.4971@0.8377018 1 1 1 1 1246 1 1218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2418 1 1 1 1 2905 2189 1 1 1 1 1 2605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4376 1 1 1 1 1 1 1 1834 1 1 1 1 1 1 1 1134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2263 1 953.4971 *953.5121* 953.5121@0.84001195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 953.5121 *953.5745* 953.5745@12.401002 2991 1 1 1 1 4853 4974 1 1 1 4576 1 1 1 1 1 4850 1 1 1 4300 3181 1 1 1 1 1 1 1 1 1 4660 1 1 1 4171 4185 1 1 4570 1 1 1 1 1 1 1 1 1 1 4762 1 1 1 1 1 1 1 4950 1 1 3754 1 1 4499 4107 1 3901 1 1 1 1 1 1 1 1 1 1 2405 4288 4591 1 1 2060 2279 1 1 1 1 1 953.5745 *953.575* 953.575@12.371189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1504 1 1 1 1 1 1443 1 1 1 1 1 953.575 *955.3181* 955.3181@0.85921913 2380 1 2796 2418 2604 2867 2328 2090 2121 2417 2520 2306 2500 2566 2740 2357 2439 1 1 2134 2416 2136 2424 2706 2605 2549 2578 2743 2223 2294 2159 1852 2417 2257 2507 2569 2107 2480 2964 2158 2072 2069 2271 2406 2397 2401 1983 1982 2334 2482 2182 2041 2307 2282 1 2064 2308 2260 2289 2204 1855 1834 1489 2096 2437 2405 2434 2535 2096 2147 2536 2674 2378 2115 2205 2461 1 2562 1922 2165 2105 2243 2575 2415 2189 2156 2303 1 2101 2321 955.3181 *955.4955* 955.4955@0.84000736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2920 1 1 1 1 1379 1 1 1 1 1 1 2243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 955.4955 *955.5131* 955.5131@0.83860743 1 1 1 1 1 1187 4964 3181 1 2612 1389 1 1 1582 1137 1 1 1 1031 1 1 1 1 1229 1100 3852 1440 1 1 2581 2884 1 2623 1 1 2585 1 1142 1239 1 1 1 1 1 1003 1 1160 1429 1 1 1 1 1 1171 1 1 1 1 1 1 2366 1 1017 1270 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1165 1 1 2678 1 1 955.5131 *957.3113* 957.3113@0.85929966 2524 2727 3087 2866 2683 3221 2302 2446 2246 2517 2509 2542 2712 2442 2856 2768 2251 2366 2078 2307 2561 2262 2566 3003 2272 2271 2981 2550 2649 2332 2520 2384 2793 2475 2455 2255 2193 1 3171 2443 2435 2331 2545 2148 2324 2004 2005 1946 2578 2242 2185 2189 2480 2325 2015 2058 2601 2496 2612 2382 1409 2152 1792 2260 2526 2392 2393 2465 2314 2140 2685 2696 2379 2309 2507 2459 2284 2238 2210 2134 2112 2547 2346 1 2307 2140 2124 2080 2153 2246 957.3113 *957.5056* 957.5056@0.8381069 1315 1 1 1 1446 1 1 1 1 1 1 2818 1 1 1240 1 1 1 3317 1457 1211 3775 1 1 1185 1 1282 1 1 1 1 1 1 1 2751 1 1 1 1 1 1 1 2659 1 1 1 1 1 1 1 1 1 1587 1 1 1 3473 1 1 1 1 1 2635 1 2981 1 1 1 2574 1 1 1 2697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.5056 *957.518* 957.518@0.8366692 1 1 1 1 1 1089 1 1 1 1 1040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1268 1327 1 1 1 1 1107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1714 1 1 1 1 1095 1 1 1 1 1 1 1 1 1224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1391 1 1 1 1 1 1 1 957.518 *958.956* 958.956@2.778401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4024 1 1 1 1 2299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2841 1 1 1 1 1 1 1 4365 1 1 1 1 1 3176 1 5867 1 1 1 1 1 1 1 1 1 1 1 6383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3618 1 1 1 1 1 1 4524 1 958.956 *958.9564* 958.9564@0.6502868 1 1 19947 6248 1 1 1 1 1 1 1 1 13808 1 1 1 1 4703 1 1 1 1 1 1 1 1 1 5073 1 14193 1 1 1 1 1 1 1 4088 1 1 1 1 1 1 1 1 1 1 1 10827 1 1 11556 1 1 1 13241 5955 1 6212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3261 1 1 1 1 1 1 7823 1 1 1 1 1 1 958.9564 *958.9565* 958.9565@6.061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9565 *958.9569* 958.9569@6.133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9569 *958.957* 958.957@10.612621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.957 *958.957* 958.957@1.9850454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.957 *958.9573* 958.9573@1.2143383 5125 1 1 1 1 1 1 1 3618 3834 1 1 1 1 1 1 1 2844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2945 1 1 2928 1 1 1 4024 1 1 4454 1 1 4081 4621 4758 1 1 1 1 1 1 1823 1 1 1 3896 1 4405 1 1 1 1309 1 1 1 1 1 5630 1 1 1 1 1 2796 1 1 1 1 1605 1 1 1 1 1 1 958.9573 *958.9573* 958.9573@6.008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9573 *958.9574* 958.9574@1.4353882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5996 1 1 5527 1 1 1 4589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9574 *958.9575* 958.9575@0.8208374 55335 56285 56939 37324 58860 58252 55219 54397 56559 56442 55125 54159 53687 52676 60002 55150 54386 54306 56901 57545 48022 53331 53094 54492 53667 53824 54330 54262 55490 52891 54811 54748 53433 51422 51838 51965 50078 53398 59851 37767 54530 53037 53159 52709 53228 50922 48666 50082 47805 47670 47499 49302 47042 45136 59417 53744 40256 65745 52989 50034 44221 43902 48575 49665 52378 50833 46837 47527 48612 48942 48061 47904 48155 49017 48806 48236 48489 17031 50166 49434 47011 45019 47037 46126 49281 51103 47129 47911 46127 43401 958.9575 *958.9577* 958.9577@1.3896925 1 1 1 1 1 1 1 3083 1 1 1 1 1 1 1 1 1 5161 1 1 1 1 4706 1 7592 4551 1 1 1 3395 1 2514 1 4413 3731 1 1 2781 2174 4226 1 1 1281 1 4340 1 1 1 1 6297 6344 1 1 4704 1 1 2365 2462 1 1 5099 1 8470 9143 1 1 15813 1 1 2513 4944 1 4886 6468 1 5473 1 1 1 1 1 1 1 1 1 5055 1 1 4706 6782 958.9577 *958.9577* 958.9577@1.7007517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4984 1 1 1 1 1 1 1 1 1 1 1 1 2875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3352 1 1 1 1 1 1 4479 1 1 1 1 1 1 1 1 1 1 1 2737 4475 6444 1 1 1 1 1 1 1 1 1 958.9577 *958.9577* 958.9577@2.412675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5067 1 1 4734 1 4352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5185 2925 1 1 1 1 1 1 1 1 1 1 1 1 958.9577 *958.9579* 958.9579@0.71759456 11864 10180 9475 7279 14378 9639 9518 9855 9941 9283 11604 10873 9018 9245 9655 9148 10022 6407 8964 10820 10328 7510 9245 6968 10132 12287 11355 9026 9536 7973 10488 9438 9686 9167 8731 10993 7000 1 8514 6284 10308 8722 8834 10565 9142 9718 9014 8271 7300 8079 9126 9614 7859 10055 9354 8261 7810 10283 8144 6249 7000 6272 8578 9066 13363 6767 6345 7915 9041 7135 7906 8658 7990 10082 9113 8603 6431 9256 8356 6553 4921 7232 8342 1 7298 7145 8000 7600 9072 6650 958.9579 *958.958* 958.958@3.2080712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2804 1 1 1 1 1 1 958.958 *958.9581* 958.9581@4.215084 1 1 1 1 1 1 1 1 1 1 1 1 7413 9102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8787 6566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5370 4904 1 1 1 4004 1 1 1 1 1 1 1 1 1 1 958.9581 *958.9582* 958.9582@1.142483 1 6688 4896 1 6532 1 1 1 1 1 1 1 1 1 6190 5284 1 1 1 1 4684 1 7396 1 8866 6183 1 1 13886 9489 6209 2922 1 1 1 8853 1 4134 1 1 1 1 1 1 1 1 1 1 1 3723 1 1 1 1 8594 16003 6945 9814 14590 1 3429 1 4283 7568 4976 5643 5850 1 1 1 1 6284 11770 1 8165 6478 6543 6052 1 1 1 1 1 1 1 5725 6828 4103 1 1 958.9582 *958.9584* 958.9584@0.7805015 1 1 1 11366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31005 1 1 1 1 1 1 1 1 1 1 1 1 958.9584 *958.9584* 958.9584@8.37601 1 1 1 1 1 1 1 2402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9584 *958.9586* 958.9586@1.0708007 7209 7197 4509 1 6824 1 1 3714 6482 7486 1 1 6016 1 6092 3552 6054 5765 2196 4593 6460 1 1 1 6173 1 1 3818 1 5304 5652 1 1 4601 1 5158 1830 2561 2332 1 5676 4007 5313 1 1 6286 4709 1 6785 2118 1 1 1 1 6390 1 5161 5886 1 1 1 3072 4319 1 4665 1 1 4841 1 1 1 3249 1 1 1 5575 4769 5001 1 2926 1 1 1 1 1 1 1 5822 1 4080 958.9586 *958.9591* 958.9591@10.169342 1 1 1 1 1 1 1 1 1397 1 1 1 1 1 1 1 1 1 1 1 5031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9591 *958.9592* 958.9592@9.143576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9592 *958.9595* 958.9595@3.1102722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9595 *958.963* 958.963@12.320592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.963 *959.3077* 959.3077@0.8571327 2261 2304 2559 2578 2541 2582 1954 2105 2171 2020 1621 2071 2462 2095 2340 2194 2022 1 2089 1928 2037 2391 2034 2240 2065 2021 1 2266 2433 2201 1 2186 2427 2186 1385 1826 1939 1280 2546 1 1626 1968 1 2052 1486 1917 1 1741 2349 1916 1163 1537 1803 1949 1792 1781 2043 2131 1429 1527 1 1792 1970 1833 2501 1337 2195 1878 1 1926 2100 2235 2123 1954 1 2268 1966 1690 1760 1 2015 1 2132 1 1 1861 1879 1861 2063 1795 959.3077 *959.3206* 959.3206@0.8630148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1291 1 1 1 1 1 1 959.3206 *959.4737* 959.4737@0.83967274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.4737 *959.5008* 959.5008@0.83857137 1319 3027 1 1 1400 1 1 1 1 2090 2757 1 2367 1 1 1464 1 1186 1 1 1 1 1197 1101 1828 1 1 1739 1247 1 2099 1 1147 1 1 1 1 1 1 1 1 1687 1 2589 1 1 1 3610 1 1 1 1 1 1 1 1292 1 1359 1 1 1 1 1 2341 1 1 2753 2217 1 1 1 1 1 1 1 1558 1 1 1 1 1534 1 1289 1 1 2538 1242 1 1 1 959.5008 *959.5131* 959.5131@0.83100355 1 1 1 1 1 1 1 1195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.5131 *959.5325* 959.5325@0.8340017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.5325 *959.5801* 959.5801@5.8991156 1 1 1 1 1 1 1 1 1 1 1 1 1377 1 1 1 1 1 1 1 1 1 1 1 1773 1971 1 1 1 1 2487 1 1 1 1 1 1 1248 1 1 1 1 1 1 2625 2696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2716 2602 1 2240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.5801 *959.9592* 959.9592@0.6911625 1 1 1 12683 1 1 1 1887 1 1 1 1 1 1 2608 1 1 1 1 1 1 1 1 1850 1 1 1 1 1 1 1 1 1 2631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.9592 *959.9621* 959.9621@0.628204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2342 1 1 1 1 1 1 1 1 1 1 1 1 1 1693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1472 1 1184 1 1 2541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.9621 *960.8061* TG(16:1(9Z)/20:0/22:3(10Z,13Z,16Z))[iso6] 4804 2262 3497 4999 1 1 3264 4936 5006 4159 4881 1628 1211 1911 1403 1 4850 1 3196 3255 3017 4296 3546 4787 1 3918 3022 1 1765 1069 1 1923 4968 3155 1444 1 1419 1 4203 4338 2840 2886 1301 4548 4337 1569 3509 4570 4895 4687 3817 4350 1536 4479 2991 4867 2708 5599 4702 3917 4145 3738 4814 5011 4581 3555 1934 4662 4758 4754 4675 5243 3467 4106 4560 3565 4930 4917 2590 4009 1390 3990 4177 2912 3826 4205 4763 4555 2595 3041 960.8061 *960.8076* 960.8076@14.110782 1 1 1 1 1 1 1 1 1 1 1 3348 1666 1192 1 1 1 1 1 1719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 960.8076 *960.9552* 960.9552@0.82334083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4860 1 1 1 1 1 1 1 960.9552 *961.3076* 961.3076@0.854019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 961.3076 *961.3142* 961.3142@0.85625464 1 1655 1016 1601 1421 1201 1 1430 1192 1 1233 1 1430 1 1589 1048 1 1 1 1 1104 1 1 1 1304 1 1 1 1 1 1 1 1 1074 1391 1 1 1 1252 1089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1366 1068 1 1523 1 1 1 1 1 1 1 1 1 1 1 1554 1 1 1 1 1 1 1 1 1 1 1094 1 1 1 1 1374 1 1 961.3142 *961.4606* 961.4606@0.8400044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 961.4606 *961.4897* 961.4897@0.8414991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 961.4897 *961.5056* 961.5056@0.8384901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 961.5056 *963.3417* 963.3417@0.8490022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 963.3417 *963.4465* 963.4465@0.842982 1 2546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 963.4465 *963.5095* 963.5095@0.83696955 1062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 963.5095 *963.7054* 963.7054@14.536689 35818 37306 38293 35336 37269 37284 36692 37558 35845 35843 37637 34983 36465 38570 36235 34245 36154 35676 35059 36937 33395 35965 36732 34302 34327 40343 34290 36745 39437 37457 36739 35879 39772 36702 34682 35907 36109 36971 38080 36056 36124 35570 37792 35432 41855 36604 34584 32793 34970 34041 33319 33055 33812 31515 31632 33327 30300 31420 33488 31550 31079 30604 30843 32702 31794 32824 31959 33360 32372 34015 32261 30869 33615 31764 34415 32018 32586 32857 30795 31816 32120 32328 30609 32690 33584 32116 33784 32238 33196 33252 963.7054 *963.7054* 963.7054@14.64201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4525 1 1 1 1 1 1 1 1 1 1 1 1 1990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 963.7054 *964.7106* 964.7106@14.621798 1 1 1 1 1 1 1358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2438 1 1 1 1 1 1946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 964.7106 *965.3519* 965.3519@0.8449905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 965.3519 *965.5303* 965.5303@0.8329919 1 1 1 1 1658 1 1 1 1 1 1 1 1 1 1 1 1 1 1841 1255 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 965.5303 *966.056* 966.056@6.004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 966.056 *966.0571* 966.0571@0.7700109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 966.0571 *967.5286* 967.5286@0.8350112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075 1 1 1 1 1 1 1 967.5286 *969.3264* 969.3264@3.2326686 1 1 1 1 1 1 1 1 1 1 1 1028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1733 1487 1 1 969.3264 *969.4666* 969.4666@0.8389694 1367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.4666 *971.6385* 971.6385@11.1667185 4779 5249 5281 4754 5332 4994 4788 5115 4934 4697 4764 4712 4910 4731 4927 4591 4423 4857 4629 4643 4600 4827 4301 4630 4596 4256 4536 4177 4268 4136 4554 4163 3932 4503 3971 4346 3791 3737 4061 4134 4439 4206 3772 3928 4124 3960 3544 3493 3491 3580 3340 3221 3120 3241 2805 3028 3104 3073 3157 2941 2873 2923 2808 3007 2604 2777 2962 2997 2848 2848 2659 2844 2590 2789 2635 2387 2911 2796 2708 2189 2898 2704 2464 2471 2464 2708 2323 2342 2083 2474 971.6385 *975.3451* 975.3451@3.235486 1188 1230 1133 1173 1 1051 1198 1347 1551 1245 1391 1414 1275 1134 1695 1697 1629 1336 1241 1337 1237 1 1290 1 1342 1312 1572 1351 1779 1471 1376 1158 1644 1177 1316 1121 1 1 1243 1220 1257 1177 1373 1741 1353 1459 1509 1483 1486 1590 1 1010 1416 1319 1115 1346 1480 1340 1055 1 1364 1285 1366 1493 1748 1598 1044 1102 1369 1717 1270 1318 1419 1575 1090 1176 1272 1078 1 1109 1483 1328 2145 1455 1295 1294 1534 1 1 1 975.3451 *975.3731* 975.3731@0.84301513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 975.3731 *979.4665* 979.4665@0.83598226 1 1104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 979.4665 *981.3623* 981.3623@3.2332177 1 1 1 1 1 1 1 1 1412 1232 1 1 1062 1113 1261 1156 1 1 1353 1374 1 1 1156 1109 1151 1129 1 1 1045 1 1 1057 1314 1380 1082 1021 1180 1077 1125 1413 1216 1142 1426 1 1362 1703 1469 1459 1422 1195 1 1 1171 1 1153 1243 1286 1255 1209 1155 1118 1336 1238 1067 1 1 1009 1004 1148 1054 1104 1 1202 1123 1 1 1 1012 1088 1000 1276 1470 1163 1156 1225 1288 1 1 1 1075 981.3623 *981.3707* 981.3707@3.2260394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.3707 *983.3975* 983.3975@0.8409817 1 1 1 1 1 1961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.3975 *983.417* 983.417@0.84401155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.417 *983.4316* 983.4316@0.8410106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.4316 *985.4155* 985.4155@0.8440038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 985.4155 *985.4312* 985.4312@0.839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 985.4312 *985.6522* 985.6522@11.80652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 985.6522 *985.6527* 985.6527@11.82822 6653 5861 6025 5878 6194 6760 6336 6077 6616 7176 6567 6171 6113 7022 6713 6837 6484 7332 6676 6661 6543 6719 6745 7057 7014 7207 6818 6816 6930 5870 6718 7305 7111 6863 6771 6603 6615 5969 6450 6772 6448 6553 6470 6713 7157 6337 6179 6237 5709 5900 6254 6122 5724 4186 5928 5998 3804 6161 5668 5338 5683 5613 6183 5103 5829 5684 5636 5872 4548 5604 5545 5460 5629 4669 5854 4342 5204 5502 4990 5643 4881 5260 5277 5177 5162 5193 5267 4672 5236 5016 985.6527 *986.656* 986.656@11.841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 986.656 *987.4162* 987.4162@0.8420089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 987.4162 *991.7349* 991.7349@13.151359 1 1 10277 1 1 1 1 1 12035 1 13566 1 1 1 1 12397 11723 1 13122 4953 1 12783 8844 1954 1 1 1 1 1 6549 1 1 10962 1 1 1 1 1 5230 1 13717 1 1 1 12624 1 1 1 10201 1 1 7112 1 1 7980 1 1705 1 1 1 1 9926 1 1 1 1 1 5559 1770 9999 11629 1934 1 1 1 1 1 1 8003 1 1 1 1 1 1 1 1 1 1 3757 991.7349 *991.7359* 991.7359@13.119428 14873 16412 6707 12508 17230 16690 15707 9958 3917 14917 2564 15575 16570 15722 15952 4635 1 17254 3481 4651 15783 3674 4031 7630 14658 15465 16003 15638 16243 3334 16067 14703 5565 15599 15841 13951 15526 15757 11348 14590 2270 6143 14804 15560 3896 19726 14980 12654 2224 12334 7090 5573 12252 11886 3530 12474 2775 12953 13725 7941 11254 1775 11947 12718 12092 12418 11818 2753 5230 3171 1085 8744 12794 12784 11441 7747 11802 12282 3586 11677 11592 12142 11887 12427 11966 11148 10277 10871 11953 4099 991.7359 *992.7365* 992.7365@13.152363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 992.7365 *992.7386* 992.7386@13.132881 1 1 1 3401 1 1 1 6304 1 1 1 1 1 1 1 1 2623 1 1 5951 1 1 4500 5183 1 1 1 1 1 6698 1 1 1 1 1 1428 1 1 1 1 1 3196 1 1 1 1 1 1 1 1 4571 1 1 1 1 1 2091 1 1 3690 1 1 1 1 1 1 1 4471 4300 1 1 1522 1 1 1 2055 1 1 1 1 1 1 1 1 1 1 1255 1 1 4395 992.7386 *993.4272* 993.4272@0.843989 1946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 993.4272 *993.4356* 993.4356@0.8400065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 993.4356 *995.4206* 995.4206@0.84100676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 995.4206 *995.4366* 995.4366@0.84129953 1 1 1 2108 1679 1 1 1 1 1 1 1560 1 1 1 1 1 1 1 1 1 1965 1 1 1 1 1440 1 1007 1 1 1 2046 1 1 1 1 1 2589 1 1 1 1 1 1 1 1 1 1113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 995.4366 *995.5908* 995.5908@12.43453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1047 1 1 1 1 1 1 1 1 1 995.5908 *995.5947* 995.5947@12.38426 22972 12026 20770 11342 24239 22767 22706 21081 1 23842 13311 18719 28808 20881 24119 1 19563 18826 21025 1 22836 13275 1 21021 11948 1 1 23139 21512 23236 23262 22291 16889 8765 27892 19255 20534 19563 23285 20624 20430 21485 17229 7216 20143 19966 22268 22630 11751 20481 20895 11632 18059 1 17544 25277 16588 27175 1 22067 18431 20514 17863 1 12824 20319 20078 26012 24562 23080 27111 26712 1 10993 21234 12474 25056 17221 19395 11267 15814 19186 21575 1 1 1 33073 18559 17948 26095 995.5947 *995.595* 995.595@12.346838 13620 21213 11502 24508 12780 14224 12692 14674 33904 12366 23155 12944 7509 15410 12276 35603 15662 12670 14420 35493 13262 22329 35127 15209 8309 8254 35049 12650 13374 12140 11892 12548 17854 26694 7190 15985 14289 14865 11358 14953 14812 12979 12537 24550 15626 11858 12592 12581 22974 12415 13059 8350 11675 30837 16388 8066 14369 7520 8517 12105 11752 12757 11903 33402 6242 13674 13804 7020 8169 11595 7066 7316 33408 22913 12662 17205 7005 11891 13875 7520 12420 13178 1 33121 32073 33217 1 11124 13506 6407 995.595 *996.5987* 996.5987@12.368739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15729 15765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15373 1 1 1 1 1 1 15193 1 1 1 1 1 15318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15327 1 1 1 1 1 1 1 1 1 1 996.5987 *997.6029* 997.6029@12.364979 1 2587 4096 1 1 1 1 1 2496 1 1 4305 1 1 1 1 1 3943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3816 3783 1 4206 1 1 1 1 1 1 4163 1798 1 1 1 1 1 1 4041 1 3971 1 1 1 1 1 1 1 1 1 1 1 1 3681 1272 3992 1 1 3874 1 1 1 1 1 1 3819 1 1 997.6029